NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
505542 | 2yso | 11368 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -2.479 -17.608 -22.643 2 HA2 GLY 1 1HA GLY 1 -2.430 -16.087 -24.868 3 HA3 GLY 1 2HA GLY 1 -3.427 -17.442 -25.374 4 H SER 2 H SER 2 -3.140 -14.925 -22.896 5 HA SER 2 HA SER 2 -4.701 -13.743 -21.738 6 HB2 SER 2 1HB SER 2 -6.457 -14.574 -24.060 7 HB3 SER 2 2HB SER 2 -6.893 -13.361 -22.857 8 HG SER 2 HG SER 2 -5.863 -12.013 -24.082 9 H SER 3 H SER 3 -4.259 -16.340 -20.866 10 HA SER 3 HA SER 3 -6.946 -17.181 -19.994 11 HB2 SER 3 1HB SER 3 -4.462 -18.898 -20.226 12 HB3 SER 3 2HB SER 3 -6.068 -19.447 -19.745 13 HG SER 3 HG SER 3 -5.369 -19.707 -22.049 14 H GLY 4 H GLY 4 -6.845 -18.406 -17.838 15 HA2 GLY 4 1HA GLY 4 -5.442 -18.616 -15.778 16 HA3 GLY 4 2HA GLY 4 -5.050 -16.920 -16.020 17 H SER 5 H SER 5 -7.374 -15.710 -16.509 18 HA SER 5 HA SER 5 -8.723 -15.926 -13.950 19 HB2 SER 5 1HB SER 5 -9.205 -13.965 -16.206 20 HB3 SER 5 2HB SER 5 -9.802 -13.829 -14.552 21 HG SER 5 HG SER 5 -7.986 -12.909 -14.083 22 H SER 6 H SER 6 -10.652 -16.826 -13.611 23 HA SER 6 HA SER 6 -12.225 -17.642 -15.966 24 HB2 SER 6 1HB SER 6 -12.135 -19.008 -13.266 25 HB3 SER 6 2HB SER 6 -12.989 -19.571 -14.703 26 HG SER 6 HG SER 6 -11.206 -20.492 -15.284 27 H GLY 7 H GLY 7 -13.997 -16.454 -16.187 28 HA2 GLY 7 1HA GLY 7 -15.767 -15.072 -15.662 29 HA3 GLY 7 2HA GLY 7 -16.114 -16.318 -14.472 30 H SER 8 H SER 8 -16.847 -15.019 -12.847 31 HA SER 8 HA SER 8 -15.315 -12.713 -12.002 32 HB2 SER 8 1HB SER 8 -17.661 -12.412 -11.850 33 HB3 SER 8 2HB SER 8 -17.888 -13.968 -11.050 34 HG SER 8 HG SER 8 -17.768 -12.856 -9.277 35 H ARG 9 H ARG 9 -13.602 -12.909 -10.735 36 HA ARG 9 HA ARG 9 -13.678 -14.851 -8.537 37 HB2 ARG 9 1HB ARG 9 -11.501 -14.517 -10.588 38 HB3 ARG 9 2HB ARG 9 -11.171 -15.194 -9.000 39 HG2 ARG 9 1HG ARG 9 -13.315 -16.321 -10.764 40 HG3 ARG 9 2HG ARG 9 -11.626 -16.809 -10.924 41 HD2 ARG 9 1HD ARG 9 -11.611 -17.480 -8.563 42 HD3 ARG 9 2HD ARG 9 -13.306 -17.014 -8.427 43 HE ARG 9 HE ARG 9 -13.326 -18.796 -10.456 44 HH11 ARG 9 1HH1 ARG 9 -12.031 -18.878 -7.226 45 HH12 ARG 9 2HH1 ARG 9 -12.235 -20.589 -7.047 46 HH21 ARG 9 1HH2 ARG 9 -13.599 -21.050 -10.234 47 HH22 ARG 9 2HH2 ARG 9 -13.127 -21.824 -8.759 48 H GLU 10 H GLU 10 -13.080 -14.018 -6.635 49 HA GLU 10 HA GLU 10 -12.825 -11.396 -6.055 50 HB2 GLU 10 1HB GLU 10 -11.722 -13.834 -4.726 51 HB3 GLU 10 2HB GLU 10 -11.258 -12.254 -4.112 52 HG2 GLU 10 1HG GLU 10 -13.087 -12.831 -2.815 53 HG3 GLU 10 2HG GLU 10 -13.768 -11.758 -4.036 54 H LYS 11 H LYS 11 -11.267 -9.836 -5.986 55 HA LYS 11 HA LYS 11 -8.662 -10.533 -7.177 56 HB2 LYS 11 1HB LYS 11 -10.143 -7.905 -7.389 57 HB3 LYS 11 2HB LYS 11 -8.597 -8.286 -8.136 58 HG2 LYS 11 1HG LYS 11 -9.579 -9.797 -9.647 59 HG3 LYS 11 2HG LYS 11 -11.093 -9.839 -8.741 60 HD2 LYS 11 1HD LYS 11 -10.076 -7.286 -9.942 61 HD3 LYS 11 2HD LYS 11 -10.994 -8.444 -10.906 62 HE2 LYS 11 1HE LYS 11 -12.063 -7.578 -8.260 63 HE3 LYS 11 2HE LYS 11 -12.201 -6.488 -9.638 64 HZ1 LYS 11 3HZ LYS 11 -14.165 -7.767 -9.576 65 HZ2 LYS 11 1HZ LYS 11 -13.321 -9.219 -9.371 66 HZ3 LYS 11 2HZ LYS 11 -13.247 -8.399 -10.849 67 H SER 12 H SER 12 -7.068 -10.419 -5.752 68 HA SER 12 HA SER 12 -7.343 -9.007 -3.272 69 HB2 SER 12 1HB SER 12 -4.866 -10.307 -4.427 70 HB3 SER 12 2HB SER 12 -5.148 -9.885 -2.738 71 HG SER 12 HG SER 12 -5.732 -12.147 -3.930 72 H HIS 13 H HIS 13 -5.689 -7.463 -2.495 73 HA HIS 13 HA HIS 13 -4.777 -5.686 -4.663 74 HB2 HIS 13 1HB HIS 13 -6.020 -5.010 -2.002 75 HB3 HIS 13 2HB HIS 13 -5.083 -3.834 -2.919 76 HD1 HIS 13 HD1 HIS 13 -6.055 -3.918 -5.656 77 HD2 HIS 13 HD2 HIS 13 -8.635 -4.584 -2.468 78 HE1 HIS 13 HE1 HIS 13 -8.359 -3.438 -6.544 79 H GLN 14 H GLN 14 -2.685 -6.500 -4.705 80 HA GLN 14 HA GLN 14 -1.123 -6.243 -2.229 81 HB2 GLN 14 1HB GLN 14 -1.182 -8.445 -3.518 82 HB3 GLN 14 2HB GLN 14 -0.237 -7.627 -4.754 83 HG2 GLN 14 1HG GLN 14 1.400 -7.072 -2.869 84 HG3 GLN 14 2HG GLN 14 0.539 -8.299 -1.942 85 HE21 GLN 14 1HE2 GLN 14 2.985 -8.944 -2.151 86 HE22 GLN 14 2HE2 GLN 14 3.309 -10.095 -3.398 87 H CYS 15 H CYS 15 0.789 -5.070 -2.183 88 HA CYS 15 HA CYS 15 1.132 -3.188 -4.422 89 HB2 CYS 15 1HB CYS 15 0.483 -2.073 -2.362 90 HB3 CYS 15 2HB CYS 15 1.794 -2.860 -1.489 91 H ARG 16 H ARG 16 2.442 -4.877 -5.454 92 HA ARG 16 HA ARG 16 4.638 -6.168 -4.645 93 HB2 ARG 16 1HB ARG 16 3.674 -5.785 -7.046 94 HB3 ARG 16 2HB ARG 16 4.901 -4.530 -7.140 95 HG2 ARG 16 1HG ARG 16 6.639 -6.173 -6.693 96 HG3 ARG 16 2HG ARG 16 5.416 -7.438 -6.557 97 HD2 ARG 16 1HD ARG 16 5.579 -5.773 -9.033 98 HD3 ARG 16 2HD ARG 16 6.704 -7.109 -8.796 99 HE ARG 16 HE ARG 16 4.190 -8.135 -8.317 100 HH11 ARG 16 1HH1 ARG 16 5.852 -6.618 -10.973 101 HH12 ARG 16 2HH1 ARG 16 4.946 -7.455 -12.189 102 HH21 ARG 16 1HH2 ARG 16 2.990 -9.243 -9.909 103 HH22 ARG 16 2HH2 ARG 16 3.317 -8.947 -11.583 104 H GLU 17 H GLU 17 4.396 -2.697 -5.058 105 HA GLU 17 HA GLU 17 6.950 -1.812 -5.116 106 HB2 GLU 17 1HB GLU 17 4.645 -0.565 -4.736 107 HB3 GLU 17 2HB GLU 17 5.177 -0.571 -3.061 108 HG2 GLU 17 1HG GLU 17 5.920 1.467 -3.886 109 HG3 GLU 17 2HG GLU 17 7.352 0.440 -3.934 110 H CYS 18 H CYS 18 5.238 -2.469 -2.053 111 HA CYS 18 HA CYS 18 7.863 -2.916 -0.793 112 HB2 CYS 18 1HB CYS 18 6.582 -2.490 1.364 113 HB3 CYS 18 2HB CYS 18 6.802 -1.102 0.304 114 H GLY 19 H GLY 19 4.565 -4.150 -1.083 115 HA2 GLY 19 1HA GLY 19 4.248 -6.545 -1.292 116 HA3 GLY 19 2HA GLY 19 5.571 -6.765 -0.157 117 H GLU 20 H GLU 20 2.356 -5.241 -0.347 118 HA GLU 20 HA GLU 20 1.724 -6.426 2.254 119 HB2 GLU 20 1HB GLU 20 2.470 -4.139 2.725 120 HB3 GLU 20 2HB GLU 20 1.302 -3.511 1.571 121 HG2 GLU 20 1HG GLU 20 -0.493 -3.933 2.947 122 HG3 GLU 20 2HG GLU 20 0.360 -5.181 3.852 123 H ILE 21 H ILE 21 -0.274 -7.257 2.350 124 HA ILE 21 HA ILE 21 -2.011 -6.876 0.025 125 HB ILE 21 HB ILE 21 -2.173 -8.933 2.231 126 HG12 ILE 21 1HG1 ILE 21 -1.370 -9.362 -0.646 127 HG13 ILE 21 2HG1 ILE 21 -0.196 -9.048 0.627 128 HG21 ILE 21 1HG2 ILE 21 -4.220 -8.090 0.664 129 HG22 ILE 21 2HG2 ILE 21 -3.559 -9.400 -0.313 130 HG23 ILE 21 3HG2 ILE 21 -4.083 -9.713 1.342 131 HD11 ILE 21 3HD1 ILE 21 -1.798 -11.464 0.071 132 HD12 ILE 21 1HD1 ILE 21 -0.144 -11.304 0.661 133 HD13 ILE 21 2HD1 ILE 21 -1.500 -11.068 1.763 134 H PHE 22 H PHE 22 -4.017 -6.013 0.138 135 HA PHE 22 HA PHE 22 -5.054 -5.278 2.791 136 HB2 PHE 22 1HB PHE 22 -4.895 -3.508 0.346 137 HB3 PHE 22 2HB PHE 22 -5.848 -3.123 1.775 138 HD1 PHE 22 HD2 PHE 22 -4.570 -3.053 4.022 139 HD2 PHE 22 HD1 PHE 22 -2.694 -2.826 0.209 140 HE1 PHE 22 HE2 PHE 22 -2.594 -2.017 5.060 141 HE2 PHE 22 HE1 PHE 22 -0.714 -1.790 1.240 142 HZ PHE 22 HZ PHE 22 -0.663 -1.384 3.669 143 H PHE 23 H PHE 23 -7.416 -4.425 2.500 144 HA PHE 23 HA PHE 23 -8.805 -6.277 0.677 145 HB2 PHE 23 1HB PHE 23 -9.280 -5.569 3.530 146 HB3 PHE 23 2HB PHE 23 -10.690 -5.870 2.520 147 HD1 PHE 23 HD2 PHE 23 -11.131 -8.073 1.621 148 HD2 PHE 23 HD1 PHE 23 -7.731 -7.338 4.073 149 HE1 PHE 23 HE2 PHE 23 -10.834 -10.496 1.929 150 HE2 PHE 23 HE1 PHE 23 -7.427 -9.759 4.384 151 HZ PHE 23 HZ PHE 23 -8.980 -11.342 3.313 152 H GLN 24 H GLN 24 -9.090 -3.158 2.355 153 HA GLN 24 HA GLN 24 -11.236 -2.298 0.627 154 HB2 GLN 24 1HB GLN 24 -9.685 -0.952 2.833 155 HB3 GLN 24 2HB GLN 24 -10.884 -0.098 1.871 156 HG2 GLN 24 1HG GLN 24 -12.637 -1.200 2.813 157 HG3 GLN 24 2HG GLN 24 -11.693 -2.652 3.140 158 HE21 GLN 24 1HE2 GLN 24 -13.423 -1.466 4.986 159 HE22 GLN 24 2HE2 GLN 24 -12.487 -0.877 6.313 160 H TYR 25 H TYR 25 -11.000 -1.345 -1.278 161 HA TYR 25 HA TYR 25 -8.645 -1.001 -2.630 162 HB2 TYR 25 1HB TYR 25 -10.913 -0.908 -3.646 163 HB3 TYR 25 2HB TYR 25 -11.115 0.710 -2.983 164 HD1 TYR 25 HD1 TYR 25 -8.538 -1.137 -4.977 165 HD2 TYR 25 HD2 TYR 25 -10.806 2.428 -4.479 166 HE1 TYR 25 HE1 TYR 25 -7.479 -0.190 -6.985 167 HE2 TYR 25 HE2 TYR 25 -9.755 3.384 -6.486 168 HH TYR 25 HH TYR 25 -8.385 3.022 -8.197 169 H VAL 26 H VAL 26 -10.337 1.377 -0.628 170 HA VAL 26 HA VAL 26 -8.802 3.622 -1.149 171 HB VAL 26 HB VAL 26 -10.032 2.805 1.487 172 HG11 VAL 26 1HG1 VAL 26 -9.745 5.654 0.850 173 HG12 VAL 26 2HG1 VAL 26 -9.480 4.796 2.369 174 HG13 VAL 26 3HG1 VAL 26 -8.225 4.805 1.130 175 HG21 VAL 26 3HG2 VAL 26 -11.083 4.201 -0.942 176 HG22 VAL 26 1HG2 VAL 26 -11.812 2.906 0.009 177 HG23 VAL 26 2HG2 VAL 26 -11.762 4.549 0.648 178 H SER 27 H SER 27 -8.201 0.988 1.135 179 HA SER 27 HA SER 27 -6.020 2.021 2.493 180 HB2 SER 27 1HB SER 27 -7.233 -0.159 2.952 181 HB3 SER 27 2HB SER 27 -6.267 -0.874 1.661 182 HG SER 27 HG SER 27 -4.397 -0.150 2.880 183 H LEU 28 H LEU 28 -6.099 0.282 -0.592 184 HA LEU 28 HA LEU 28 -3.264 0.328 -0.946 185 HB2 LEU 28 1HB LEU 28 -4.659 -1.372 -1.992 186 HB3 LEU 28 2HB LEU 28 -5.489 -0.132 -2.928 187 HG LEU 28 HG LEU 28 -3.256 0.369 -4.006 188 HD11 LEU 28 1HD1 LEU 28 -1.508 -0.546 -2.945 189 HD12 LEU 28 2HD1 LEU 28 -1.934 -2.003 -3.843 190 HD13 LEU 28 3HD1 LEU 28 -2.494 -1.794 -2.184 191 HD21 LEU 28 3HD2 LEU 28 -4.632 -0.726 -5.456 192 HD22 LEU 28 1HD2 LEU 28 -4.882 -2.090 -4.366 193 HD23 LEU 28 2HD2 LEU 28 -3.377 -1.953 -5.275 194 H ILE 29 H ILE 29 -5.753 1.835 -3.004 195 HA ILE 29 HA ILE 29 -4.254 3.572 -4.424 196 HB ILE 29 HB ILE 29 -6.789 3.285 -4.474 197 HG12 ILE 29 1HG1 ILE 29 -5.852 6.148 -4.658 198 HG13 ILE 29 2HG1 ILE 29 -5.382 4.921 -5.829 199 HG21 ILE 29 1HG2 ILE 29 -6.980 3.999 -2.033 200 HG22 ILE 29 2HG2 ILE 29 -6.798 5.649 -2.625 201 HG23 ILE 29 3HG2 ILE 29 -8.159 4.664 -3.163 202 HD11 ILE 29 3HD1 ILE 29 -7.197 5.524 -6.954 203 HD12 ILE 29 1HD1 ILE 29 -8.117 4.668 -5.717 204 HD13 ILE 29 2HD1 ILE 29 -7.857 6.407 -5.578 205 H GLU 30 H GLU 30 -5.306 4.020 -1.085 206 HA GLU 30 HA GLU 30 -4.216 6.666 -0.875 207 HB2 GLU 30 1HB GLU 30 -6.118 5.944 0.506 208 HB3 GLU 30 2HB GLU 30 -5.099 4.742 1.284 209 HG2 GLU 30 1HG GLU 30 -3.883 6.337 2.447 210 HG3 GLU 30 2HG GLU 30 -4.365 7.638 1.360 211 H HIS 31 H HIS 31 -3.254 3.456 0.307 212 HA HIS 31 HA HIS 31 -0.984 4.129 1.719 213 HB2 HIS 31 1HB HIS 31 -1.505 1.892 1.914 214 HB3 HIS 31 2HB HIS 31 -1.826 1.706 0.192 215 HD1 HIS 31 HD1 HIS 31 1.025 1.843 2.649 216 HD2 HIS 31 HD2 HIS 31 0.318 0.857 -1.324 217 HE1 HIS 31 HE1 HIS 31 3.144 0.757 1.839 218 H GLN 32 H GLN 32 -1.258 3.457 -1.759 219 HA GLN 32 HA GLN 32 1.318 3.532 -2.590 220 HB2 GLN 32 1HB GLN 32 -1.179 4.649 -3.815 221 HB3 GLN 32 2HB GLN 32 0.369 4.874 -4.620 222 HG2 GLN 32 1HG GLN 32 -0.681 2.181 -3.799 223 HG3 GLN 32 2HG GLN 32 -0.990 2.904 -5.377 224 HE21 GLN 32 1HE2 GLN 32 0.484 0.471 -4.600 225 HE22 GLN 32 2HE2 GLN 32 2.059 0.647 -5.288 226 H VAL 33 H VAL 33 -0.657 6.324 -1.702 227 HA VAL 33 HA VAL 33 1.082 8.360 -2.478 228 HB VAL 33 HB VAL 33 -0.806 8.325 -0.120 229 HG11 VAL 33 1HG1 VAL 33 -0.633 10.914 -1.037 230 HG12 VAL 33 2HG1 VAL 33 0.161 10.270 0.402 231 HG13 VAL 33 3HG1 VAL 33 1.034 10.344 -1.129 232 HG21 VAL 33 3HG2 VAL 33 -1.169 8.661 -3.023 233 HG22 VAL 33 1HG2 VAL 33 -2.304 8.110 -1.791 234 HG23 VAL 33 2HG2 VAL 33 -2.008 9.835 -2.010 235 H LEU 34 H LEU 34 0.829 6.694 0.656 236 HA LEU 34 HA LEU 34 2.621 8.002 2.192 237 HB2 LEU 34 1HB LEU 34 2.409 5.011 1.886 238 HB3 LEU 34 2HB LEU 34 3.202 5.834 3.227 239 HG LEU 34 HG LEU 34 0.277 6.160 2.583 240 HD11 LEU 34 1HD1 LEU 34 1.329 3.798 3.331 241 HD12 LEU 34 2HD1 LEU 34 -0.275 4.354 3.809 242 HD13 LEU 34 3HD1 LEU 34 1.089 4.548 4.909 243 HD21 LEU 34 3HD2 LEU 34 1.239 6.522 5.316 244 HD22 LEU 34 1HD2 LEU 34 0.177 7.538 4.341 245 HD23 LEU 34 2HD2 LEU 34 1.927 7.669 4.164 246 H HIS 35 H HIS 35 3.482 5.511 -0.199 247 HA HIS 35 HA HIS 35 6.194 5.394 0.123 248 HB2 HIS 35 1HB HIS 35 4.469 5.210 -2.328 249 HB3 HIS 35 2HB HIS 35 6.220 5.084 -2.461 250 HD1 HIS 35 HD1 HIS 35 6.771 3.369 0.052 251 HD2 HIS 35 HD2 HIS 35 3.760 2.604 -2.707 252 HE1 HIS 35 HE1 HIS 35 6.261 0.916 0.276 253 H MET 36 H MET 36 4.550 7.588 -2.166 254 HA MET 36 HA MET 36 6.943 9.132 -2.553 255 HB2 MET 36 1HB MET 36 5.605 10.493 -4.043 256 HB3 MET 36 2HB MET 36 5.281 8.793 -4.355 257 HG2 MET 36 1HG MET 36 3.251 9.018 -2.898 258 HG3 MET 36 2HG MET 36 3.543 10.756 -2.890 259 HE1 MET 36 3HE MET 36 1.811 11.698 -3.670 260 HE2 MET 36 1HE MET 36 2.333 12.323 -5.235 261 HE3 MET 36 2HE MET 36 0.851 11.374 -5.115 262 H GLY 37 H GLY 37 7.455 11.113 -1.726 263 HA2 GLY 37 1HA GLY 37 6.634 13.209 -0.707 264 HA3 GLY 37 2HA GLY 37 5.595 12.206 0.294 265 H GLN 38 H GLN 38 8.474 13.874 0.178 266 HA GLN 38 HA GLN 38 9.258 12.863 2.763 267 HB2 GLN 38 1HB GLN 38 11.537 12.277 2.133 268 HB3 GLN 38 2HB GLN 38 10.384 11.286 1.249 269 HG2 GLN 38 1HG GLN 38 11.451 13.784 0.015 270 HG3 GLN 38 2HG GLN 38 12.426 12.315 0.026 271 HE21 GLN 38 1HE2 GLN 38 10.950 10.316 -0.573 272 HE22 GLN 38 2HE2 GLN 38 10.063 10.521 -2.041 273 H LYS 39 H LYS 39 10.467 14.318 3.935 274 HA LYS 39 HA LYS 39 11.245 16.359 4.570 275 HB2 LYS 39 1HB LYS 39 12.211 16.333 1.709 276 HB3 LYS 39 2HB LYS 39 12.649 17.582 2.867 277 HG2 LYS 39 1HG LYS 39 13.123 14.750 3.622 278 HG3 LYS 39 2HG LYS 39 14.190 15.490 2.426 279 HD2 LYS 39 1HD LYS 39 15.253 15.895 4.470 280 HD3 LYS 39 2HD LYS 39 14.424 17.411 4.109 281 HE2 LYS 39 1HE LYS 39 12.857 17.104 5.760 282 HE3 LYS 39 2HE LYS 39 13.004 15.348 5.722 283 HZ1 LYS 39 3HZ LYS 39 15.468 16.293 6.519 284 HZ2 LYS 39 1HZ LYS 39 14.310 15.526 7.486 285 HZ3 LYS 39 2HZ LYS 39 14.342 17.214 7.383 286 H ASN 40 H ASN 40 8.556 16.294 3.917 287 HA ASN 40 HA ASN 40 8.144 18.906 2.616 288 HB2 ASN 40 1HB ASN 40 6.010 16.801 2.920 289 HB3 ASN 40 2HB ASN 40 6.036 18.183 1.828 290 HD21 ASN 40 1HD2 ASN 40 8.191 18.112 0.441 291 HD22 ASN 40 2HD2 ASN 40 8.431 16.610 -0.379 292 H SER 41 H SER 41 6.966 16.769 5.195 293 HA SER 41 HA SER 41 5.834 19.118 6.553 294 HB2 SER 41 1HB SER 41 5.243 16.168 6.788 295 HB3 SER 41 2HB SER 41 4.667 17.341 7.972 296 HG SER 41 HG SER 41 3.921 18.436 5.842 297 H GLY 42 H GLY 42 7.076 19.984 8.070 298 HA2 GLY 42 1HA GLY 42 9.038 18.278 9.444 299 HA3 GLY 42 2HA GLY 42 9.107 20.031 9.333 300 HA PRO 43 HA PRO 43 7.575 18.994 13.559 301 HB2 PRO 43 1HB PRO 43 9.056 20.899 14.802 302 HB3 PRO 43 2HB PRO 43 9.680 19.287 14.433 303 HG2 PRO 43 1HG PRO 43 10.080 21.857 12.952 304 HG3 PRO 43 2HG PRO 43 11.262 20.594 13.339 305 HD2 PRO 43 1HD PRO 43 10.108 20.812 10.899 306 HD3 PRO 43 2HD PRO 43 10.583 19.249 11.594 307 H SER 44 H SER 44 5.969 20.031 14.659 308 HA SER 44 HA SER 44 4.248 21.480 15.006 309 HB2 SER 44 1HB SER 44 6.369 22.815 15.736 310 HB3 SER 44 2HB SER 44 6.066 23.758 14.277 311 HG SER 44 HG SER 44 4.412 23.435 16.545 312 H SER 45 H SER 45 4.116 20.362 12.552 313 HA SER 45 HA SER 45 3.729 22.461 10.574 314 HB2 SER 45 1HB SER 45 3.762 19.467 10.507 315 HB3 SER 45 2HB SER 45 2.959 20.346 9.206 316 HG SER 45 HG SER 45 5.513 21.183 9.951 317 H GLY 46 H GLY 46 2.024 23.044 12.490 318 HA2 GLY 46 1HA GLY 46 -0.328 23.663 11.837 319 HA3 GLY 46 2HA GLY 46 -0.573 21.936 11.619 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -30.519 -20.340 2.390 2 HA2 GLY 1 1HA GLY 1 -31.481 -22.564 0.913 3 HA3 GLY 1 2HA GLY 1 -32.689 -21.287 0.936 4 H SER 2 H SER 2 -30.804 -22.498 -1.161 5 HA SER 2 HA SER 2 -30.339 -20.044 -2.561 6 HB2 SER 2 1HB SER 2 -27.932 -20.203 -2.779 7 HB3 SER 2 2HB SER 2 -28.342 -20.152 -1.065 8 HG SER 2 HG SER 2 -27.092 -21.863 -1.045 9 H SER 3 H SER 3 -29.875 -20.358 -4.767 10 HA SER 3 HA SER 3 -31.088 -22.351 -6.105 11 HB2 SER 3 1HB SER 3 -30.269 -20.533 -7.382 12 HB3 SER 3 2HB SER 3 -28.608 -20.810 -6.860 13 HG SER 3 HG SER 3 -28.396 -22.060 -8.521 14 H GLY 4 H GLY 4 -27.642 -22.401 -5.198 15 HA2 GLY 4 1HA GLY 4 -27.488 -25.031 -4.417 16 HA3 GLY 4 2HA GLY 4 -27.242 -25.066 -6.157 17 H SER 5 H SER 5 -25.340 -24.301 -7.028 18 HA SER 5 HA SER 5 -23.135 -24.099 -5.151 19 HB2 SER 5 1HB SER 5 -23.178 -25.457 -7.368 20 HB3 SER 5 2HB SER 5 -22.852 -23.904 -8.138 21 HG SER 5 HG SER 5 -20.868 -24.016 -7.466 22 H SER 6 H SER 6 -23.494 -22.057 -4.228 23 HA SER 6 HA SER 6 -23.505 -19.722 -5.962 24 HB2 SER 6 1HB SER 6 -23.717 -20.039 -2.963 25 HB3 SER 6 2HB SER 6 -23.690 -18.474 -3.776 26 HG SER 6 HG SER 6 -25.670 -20.448 -3.762 27 H GLY 7 H GLY 7 -22.050 -17.858 -5.303 28 HA2 GLY 7 1HA GLY 7 -19.822 -17.648 -3.964 29 HA3 GLY 7 2HA GLY 7 -19.318 -18.906 -5.082 30 H SER 8 H SER 8 -18.418 -16.079 -4.666 31 HA SER 8 HA SER 8 -18.702 -15.217 -7.467 32 HB2 SER 8 1HB SER 8 -18.906 -13.577 -4.954 33 HB3 SER 8 2HB SER 8 -18.401 -12.837 -6.473 34 HG SER 8 HG SER 8 -20.630 -12.661 -6.267 35 H ARG 9 H ARG 9 -16.874 -14.470 -8.471 36 HA ARG 9 HA ARG 9 -14.376 -15.313 -7.408 37 HB2 ARG 9 1HB ARG 9 -15.266 -13.906 -9.890 38 HB3 ARG 9 2HB ARG 9 -13.557 -13.897 -9.477 39 HG2 ARG 9 1HG ARG 9 -13.664 -15.746 -10.813 40 HG3 ARG 9 2HG ARG 9 -13.919 -16.479 -9.228 41 HD2 ARG 9 1HD ARG 9 -16.277 -16.586 -9.576 42 HD3 ARG 9 2HD ARG 9 -16.161 -15.613 -11.042 43 HE ARG 9 HE ARG 9 -14.635 -18.019 -11.217 44 HH11 ARG 9 1HH1 ARG 9 -17.845 -16.698 -11.489 45 HH12 ARG 9 2HH1 ARG 9 -18.404 -17.935 -12.566 46 HH21 ARG 9 1HH2 ARG 9 -15.359 -19.653 -12.634 47 HH22 ARG 9 2HH2 ARG 9 -16.989 -19.616 -13.216 48 H GLU 10 H GLU 10 -12.592 -14.085 -6.769 49 HA GLU 10 HA GLU 10 -13.131 -11.255 -6.168 50 HB2 GLU 10 1HB GLU 10 -13.199 -13.036 -4.210 51 HB3 GLU 10 2HB GLU 10 -11.452 -12.865 -4.299 52 HG2 GLU 10 1HG GLU 10 -13.101 -10.400 -4.160 53 HG3 GLU 10 2HG GLU 10 -12.912 -11.370 -2.701 54 H LYS 11 H LYS 11 -11.166 -9.967 -5.815 55 HA LYS 11 HA LYS 11 -8.755 -11.080 -7.057 56 HB2 LYS 11 1HB LYS 11 -8.498 -9.259 -8.565 57 HB3 LYS 11 2HB LYS 11 -10.146 -9.841 -8.763 58 HG2 LYS 11 1HG LYS 11 -10.878 -8.009 -7.216 59 HG3 LYS 11 2HG LYS 11 -9.233 -7.375 -7.306 60 HD2 LYS 11 1HD LYS 11 -10.727 -7.947 -9.828 61 HD3 LYS 11 2HD LYS 11 -11.093 -6.479 -8.918 62 HE2 LYS 11 1HE LYS 11 -8.976 -5.597 -9.246 63 HE3 LYS 11 2HE LYS 11 -8.257 -7.175 -9.563 64 HZ1 LYS 11 3HZ LYS 11 -9.472 -7.232 -11.674 65 HZ2 LYS 11 1HZ LYS 11 -8.417 -5.912 -11.591 66 HZ3 LYS 11 2HZ LYS 11 -10.078 -5.682 -11.373 67 H SER 12 H SER 12 -7.076 -10.735 -5.775 68 HA SER 12 HA SER 12 -7.242 -8.839 -3.608 69 HB2 SER 12 1HB SER 12 -4.898 -10.576 -4.411 70 HB3 SER 12 2HB SER 12 -5.147 -9.787 -2.854 71 HG SER 12 HG SER 12 -7.201 -11.112 -2.881 72 H HIS 13 H HIS 13 -5.629 -7.212 -3.183 73 HA HIS 13 HA HIS 13 -4.297 -6.192 -5.602 74 HB2 HIS 13 1HB HIS 13 -5.993 -4.689 -3.616 75 HB3 HIS 13 2HB HIS 13 -4.811 -3.869 -4.632 76 HD1 HIS 13 HD1 HIS 13 -5.197 -4.524 -7.340 77 HD2 HIS 13 HD2 HIS 13 -8.437 -4.742 -4.748 78 HE1 HIS 13 HE1 HIS 13 -7.238 -4.433 -8.806 79 H GLN 14 H GLN 14 -2.350 -7.127 -4.840 80 HA GLN 14 HA GLN 14 -1.283 -6.427 -2.272 81 HB2 GLN 14 1HB GLN 14 -0.788 -8.536 -3.658 82 HB3 GLN 14 2HB GLN 14 0.312 -7.518 -4.579 83 HG2 GLN 14 1HG GLN 14 1.599 -7.047 -2.591 84 HG3 GLN 14 2HG GLN 14 0.460 -7.964 -1.606 85 HE21 GLN 14 1HE2 GLN 14 1.346 -9.794 -0.994 86 HE22 GLN 14 2HE2 GLN 14 2.307 -10.843 -1.975 87 H CYS 15 H CYS 15 0.787 -5.300 -1.992 88 HA CYS 15 HA CYS 15 0.992 -3.025 -3.849 89 HB2 CYS 15 1HB CYS 15 0.341 -2.365 -1.598 90 HB3 CYS 15 2HB CYS 15 1.723 -3.220 -0.920 91 H ARG 16 H ARG 16 2.369 -4.340 -5.226 92 HA ARG 16 HA ARG 16 4.699 -5.611 -4.594 93 HB2 ARG 16 1HB ARG 16 5.504 -5.022 -6.854 94 HB3 ARG 16 2HB ARG 16 3.832 -5.567 -6.859 95 HG2 ARG 16 1HG ARG 16 3.031 -3.330 -7.112 96 HG3 ARG 16 2HG ARG 16 4.652 -2.673 -6.879 97 HD2 ARG 16 1HD ARG 16 4.515 -2.612 -9.162 98 HD3 ARG 16 2HD ARG 16 5.215 -4.214 -8.933 99 HE ARG 16 HE ARG 16 2.380 -4.336 -8.977 100 HH11 ARG 16 1HH1 ARG 16 5.165 -3.979 -11.035 101 HH12 ARG 16 2HH1 ARG 16 4.385 -4.652 -12.428 102 HH21 ARG 16 1HH2 ARG 16 1.342 -5.224 -10.803 103 HH22 ARG 16 2HH2 ARG 16 2.210 -5.359 -12.295 104 H GLU 17 H GLU 17 4.239 -2.129 -5.051 105 HA GLU 17 HA GLU 17 6.679 -1.060 -5.085 106 HB2 GLU 17 1HB GLU 17 4.351 -0.272 -3.346 107 HB3 GLU 17 2HB GLU 17 5.824 0.685 -3.409 108 HG2 GLU 17 1HG GLU 17 3.932 0.090 -5.667 109 HG3 GLU 17 2HG GLU 17 4.242 1.648 -4.903 110 H CYS 18 H CYS 18 5.201 -2.451 -2.179 111 HA CYS 18 HA CYS 18 7.891 -2.643 -1.005 112 HB2 CYS 18 1HB CYS 18 6.988 -2.115 1.197 113 HB3 CYS 18 2HB CYS 18 6.657 -0.799 0.076 114 H GLY 19 H GLY 19 4.539 -3.820 -0.861 115 HA2 GLY 19 1HA GLY 19 4.312 -6.273 -1.222 116 HA3 GLY 19 2HA GLY 19 5.619 -6.453 -0.060 117 H GLU 20 H GLU 20 2.402 -4.934 -0.304 118 HA GLU 20 HA GLU 20 1.747 -6.105 2.303 119 HB2 GLU 20 1HB GLU 20 2.461 -3.694 2.548 120 HB3 GLU 20 2HB GLU 20 1.059 -3.256 1.583 121 HG2 GLU 20 1HG GLU 20 0.355 -2.958 3.775 122 HG3 GLU 20 2HG GLU 20 -0.313 -4.525 3.323 123 H ILE 21 H ILE 21 -0.521 -6.349 2.696 124 HA ILE 21 HA ILE 21 -2.137 -6.299 0.231 125 HB ILE 21 HB ILE 21 -2.352 -8.275 2.506 126 HG12 ILE 21 1HG1 ILE 21 -1.492 -8.881 -0.315 127 HG13 ILE 21 2HG1 ILE 21 -0.326 -8.413 0.917 128 HG21 ILE 21 1HG2 ILE 21 -3.668 -8.648 -0.135 129 HG22 ILE 21 2HG2 ILE 21 -4.148 -9.227 1.459 130 HG23 ILE 21 3HG2 ILE 21 -4.400 -7.537 1.023 131 HD11 ILE 21 3HD1 ILE 21 -2.145 -10.568 1.707 132 HD12 ILE 21 1HD1 ILE 21 -1.059 -10.956 0.373 133 HD13 ILE 21 2HD1 ILE 21 -0.401 -10.412 1.917 134 H PHE 22 H PHE 22 -4.196 -5.515 0.332 135 HA PHE 22 HA PHE 22 -5.159 -4.584 2.952 136 HB2 PHE 22 1HB PHE 22 -5.377 -3.040 0.360 137 HB3 PHE 22 2HB PHE 22 -5.955 -2.518 1.939 138 HD1 PHE 22 HD1 PHE 22 -2.865 -3.451 0.103 139 HD2 PHE 22 HD2 PHE 22 -4.577 -1.285 3.342 140 HE1 PHE 22 HE1 PHE 22 -0.687 -2.393 0.542 141 HE2 PHE 22 HE2 PHE 22 -2.403 -0.223 3.786 142 HZ PHE 22 HZ PHE 22 -0.454 -0.775 2.385 143 H PHE 23 H PHE 23 -7.423 -4.481 3.206 144 HA PHE 23 HA PHE 23 -8.842 -6.486 1.724 145 HB2 PHE 23 1HB PHE 23 -10.052 -4.584 3.725 146 HB3 PHE 23 2HB PHE 23 -10.589 -6.207 3.304 147 HD1 PHE 23 HD2 PHE 23 -8.605 -8.026 3.656 148 HD2 PHE 23 HD1 PHE 23 -9.070 -4.363 5.774 149 HE1 PHE 23 HE2 PHE 23 -7.294 -8.944 5.525 150 HE2 PHE 23 HE1 PHE 23 -7.759 -5.275 7.646 151 HZ PHE 23 HZ PHE 23 -6.870 -7.569 7.523 152 H GLN 24 H GLN 24 -9.475 -3.024 2.316 153 HA GLN 24 HA GLN 24 -11.263 -2.963 0.018 154 HB2 GLN 24 1HB GLN 24 -11.562 -1.801 2.379 155 HB3 GLN 24 2HB GLN 24 -10.621 -0.526 1.616 156 HG2 GLN 24 1HG GLN 24 -12.260 -0.111 0.010 157 HG3 GLN 24 2HG GLN 24 -13.065 -1.652 0.304 158 HE21 GLN 24 1HE2 GLN 24 -12.231 1.388 1.917 159 HE22 GLN 24 2HE2 GLN 24 -13.677 1.488 2.857 160 H TYR 25 H TYR 25 -10.928 -1.770 -1.823 161 HA TYR 25 HA TYR 25 -8.296 -1.440 -2.721 162 HB2 TYR 25 1HB TYR 25 -10.303 -1.755 -4.179 163 HB3 TYR 25 2HB TYR 25 -10.764 -0.092 -3.834 164 HD1 TYR 25 HD1 TYR 25 -7.757 -1.980 -5.017 165 HD2 TYR 25 HD2 TYR 25 -10.184 1.494 -5.399 166 HE1 TYR 25 HE1 TYR 25 -6.352 -1.211 -6.884 167 HE2 TYR 25 HE2 TYR 25 -8.786 2.272 -7.268 168 HH TYR 25 HH TYR 25 -7.236 1.521 -8.845 169 H VAL 26 H VAL 26 -10.520 0.778 -1.178 170 HA VAL 26 HA VAL 26 -9.122 3.173 -1.752 171 HB VAL 26 HB VAL 26 -10.907 2.609 0.619 172 HG11 VAL 26 1HG1 VAL 26 -11.317 5.184 0.080 173 HG12 VAL 26 2HG1 VAL 26 -10.036 4.637 1.164 174 HG13 VAL 26 3HG1 VAL 26 -9.660 5.049 -0.510 175 HG21 VAL 26 3HG2 VAL 26 -11.491 3.168 -2.241 176 HG22 VAL 26 1HG2 VAL 26 -12.357 2.156 -1.084 177 HG23 VAL 26 2HG2 VAL 26 -12.527 3.910 -1.022 178 H SER 27 H SER 27 -8.534 0.606 0.442 179 HA SER 27 HA SER 27 -6.977 2.137 2.316 180 HB2 SER 27 1HB SER 27 -7.224 -0.853 1.912 181 HB3 SER 27 2HB SER 27 -6.374 -0.085 3.252 182 HG SER 27 HG SER 27 -8.283 0.689 4.024 183 H LEU 28 H LEU 28 -6.413 0.502 -0.670 184 HA LEU 28 HA LEU 28 -3.536 0.387 -0.292 185 HB2 LEU 28 1HB LEU 28 -4.573 -1.438 -1.467 186 HB3 LEU 28 2HB LEU 28 -5.309 -0.328 -2.621 187 HG LEU 28 HG LEU 28 -3.045 0.236 -3.456 188 HD11 LEU 28 1HD1 LEU 28 -2.275 -1.332 -1.147 189 HD12 LEU 28 2HD1 LEU 28 -1.319 -0.228 -2.134 190 HD13 LEU 28 3HD1 LEU 28 -1.508 -1.911 -2.626 191 HD21 LEU 28 3HD2 LEU 28 -3.083 -1.472 -4.935 192 HD22 LEU 28 1HD2 LEU 28 -4.610 -1.837 -4.131 193 HD23 LEU 28 2HD2 LEU 28 -3.145 -2.707 -3.676 194 H ILE 29 H ILE 29 -5.749 1.908 -2.643 195 HA ILE 29 HA ILE 29 -4.014 3.445 -4.067 196 HB ILE 29 HB ILE 29 -6.526 3.319 -4.347 197 HG12 ILE 29 1HG1 ILE 29 -5.422 6.129 -4.444 198 HG13 ILE 29 2HG1 ILE 29 -4.953 4.874 -5.586 199 HG21 ILE 29 1HG2 ILE 29 -7.878 5.007 -3.232 200 HG22 ILE 29 2HG2 ILE 29 -7.120 3.938 -2.053 201 HG23 ILE 29 3HG2 ILE 29 -6.469 5.554 -2.323 202 HD11 ILE 29 3HD1 ILE 29 -7.796 5.743 -5.160 203 HD12 ILE 29 1HD1 ILE 29 -6.730 6.442 -6.377 204 HD13 ILE 29 2HD1 ILE 29 -7.154 4.732 -6.454 205 H GLU 30 H GLU 30 -5.343 4.186 -0.872 206 HA GLU 30 HA GLU 30 -4.119 6.755 -0.687 207 HB2 GLU 30 1HB GLU 30 -5.486 4.920 1.250 208 HB3 GLU 30 2HB GLU 30 -4.612 6.325 1.843 209 HG2 GLU 30 1HG GLU 30 -6.706 6.563 -0.285 210 HG3 GLU 30 2HG GLU 30 -7.118 6.557 1.429 211 H HIS 31 H HIS 31 -3.307 3.538 0.561 212 HA HIS 31 HA HIS 31 -1.096 4.198 2.101 213 HB2 HIS 31 1HB HIS 31 -1.809 1.987 2.316 214 HB3 HIS 31 2HB HIS 31 -1.872 1.734 0.574 215 HD1 HIS 31 HD1 HIS 31 0.406 1.548 3.496 216 HD2 HIS 31 HD2 HIS 31 0.626 1.145 -0.633 217 HE1 HIS 31 HE1 HIS 31 2.635 0.476 3.043 218 H GLN 32 H GLN 32 -1.303 3.561 -1.373 219 HA GLN 32 HA GLN 32 1.255 3.376 -2.184 220 HB2 GLN 32 1HB GLN 32 -1.097 4.795 -3.340 221 HB3 GLN 32 2HB GLN 32 0.471 5.048 -4.094 222 HG2 GLN 32 1HG GLN 32 0.585 2.442 -4.058 223 HG3 GLN 32 2HG GLN 32 -1.168 2.569 -3.913 224 HE21 GLN 32 1HE2 GLN 32 -2.083 4.279 -5.515 225 HE22 GLN 32 2HE2 GLN 32 -1.534 4.109 -7.144 226 H VAL 33 H VAL 33 -0.356 6.424 -1.331 227 HA VAL 33 HA VAL 33 1.420 8.335 -1.924 228 HB VAL 33 HB VAL 33 -0.064 7.974 0.671 229 HG11 VAL 33 1HG1 VAL 33 1.889 9.338 1.147 230 HG12 VAL 33 2HG1 VAL 33 1.514 10.384 -0.224 231 HG13 VAL 33 3HG1 VAL 33 0.430 10.327 1.166 232 HG21 VAL 33 3HG2 VAL 33 -1.638 8.403 -0.952 233 HG22 VAL 33 1HG2 VAL 33 -1.247 10.039 -0.420 234 HG23 VAL 33 2HG2 VAL 33 -0.541 9.402 -1.905 235 H LEU 34 H LEU 34 1.758 6.105 0.813 236 HA LEU 34 HA LEU 34 3.915 7.055 2.137 237 HB2 LEU 34 1HB LEU 34 3.171 4.257 1.378 238 HB3 LEU 34 2HB LEU 34 4.632 4.574 2.310 239 HG LEU 34 HG LEU 34 1.866 5.397 3.182 240 HD11 LEU 34 1HD1 LEU 34 2.986 2.805 3.104 241 HD12 LEU 34 2HD1 LEU 34 1.484 3.327 3.867 242 HD13 LEU 34 3HD1 LEU 34 2.989 3.332 4.787 243 HD21 LEU 34 3HD2 LEU 34 4.600 5.640 4.306 244 HD22 LEU 34 1HD2 LEU 34 3.284 5.278 5.422 245 HD23 LEU 34 2HD2 LEU 34 3.221 6.733 4.428 246 H HIS 35 H HIS 35 4.072 5.098 -0.831 247 HA HIS 35 HA HIS 35 6.931 5.508 -1.042 248 HB2 HIS 35 1HB HIS 35 5.196 4.281 -3.171 249 HB3 HIS 35 2HB HIS 35 6.893 3.966 -2.817 250 HD1 HIS 35 HD1 HIS 35 7.146 2.915 -0.191 251 HD2 HIS 35 HD2 HIS 35 3.634 2.263 -2.314 252 HE1 HIS 35 HE1 HIS 35 6.061 0.926 0.899 253 H MET 36 H MET 36 5.276 7.867 -1.122 254 HA MET 36 HA MET 36 6.170 8.913 -3.703 255 HB2 MET 36 1HB MET 36 3.359 9.004 -2.644 256 HB3 MET 36 2HB MET 36 3.951 10.248 -3.737 257 HG2 MET 36 1HG MET 36 4.636 8.256 -5.239 258 HG3 MET 36 2HG MET 36 3.497 7.344 -4.251 259 HE1 MET 36 3HE MET 36 0.125 8.650 -4.957 260 HE2 MET 36 1HE MET 36 0.859 7.136 -5.485 261 HE3 MET 36 2HE MET 36 1.236 7.789 -3.891 262 H GLY 37 H GLY 37 7.549 10.477 -3.178 263 HA2 GLY 37 1HA GLY 37 6.672 12.602 -1.397 264 HA3 GLY 37 2HA GLY 37 8.082 11.700 -0.862 265 H GLN 38 H GLN 38 9.687 13.153 -1.083 266 HA GLN 38 HA GLN 38 9.925 14.602 -3.622 267 HB2 GLN 38 1HB GLN 38 11.055 15.047 -0.875 268 HB3 GLN 38 2HB GLN 38 11.783 15.816 -2.279 269 HG2 GLN 38 1HG GLN 38 8.860 16.078 -1.672 270 HG3 GLN 38 2HG GLN 38 10.065 17.146 -0.955 271 HE21 GLN 38 1HE2 GLN 38 8.141 16.496 -3.660 272 HE22 GLN 38 2HE2 GLN 38 8.768 17.720 -4.706 273 H LYS 39 H LYS 39 10.684 12.794 -4.823 274 HA LYS 39 HA LYS 39 13.457 12.023 -4.187 275 HB2 LYS 39 1HB LYS 39 11.697 10.195 -4.102 276 HB3 LYS 39 2HB LYS 39 11.519 10.404 -5.839 277 HG2 LYS 39 1HG LYS 39 14.022 9.967 -5.985 278 HG3 LYS 39 2HG LYS 39 13.904 9.414 -4.313 279 HD2 LYS 39 1HD LYS 39 12.490 7.631 -4.886 280 HD3 LYS 39 2HD LYS 39 12.106 8.330 -6.461 281 HE2 LYS 39 1HE LYS 39 14.163 7.729 -7.366 282 HE3 LYS 39 2HE LYS 39 14.917 7.553 -5.783 283 HZ1 LYS 39 3HZ LYS 39 14.434 5.408 -5.825 284 HZ2 LYS 39 1HZ LYS 39 13.726 5.575 -7.353 285 HZ3 LYS 39 2HZ LYS 39 12.782 5.747 -5.960 286 H ASN 40 H ASN 40 11.197 12.398 -6.920 287 HA ASN 40 HA ASN 40 13.426 12.858 -8.730 288 HB2 ASN 40 1HB ASN 40 11.809 12.754 -10.503 289 HB3 ASN 40 2HB ASN 40 11.451 11.448 -9.377 290 HD21 ASN 40 1HD2 ASN 40 9.707 11.768 -7.869 291 HD22 ASN 40 2HD2 ASN 40 8.381 12.787 -8.301 292 H SER 41 H SER 41 14.160 14.805 -9.259 293 HA SER 41 HA SER 41 12.710 17.159 -8.333 294 HB2 SER 41 1HB SER 41 15.469 16.998 -9.566 295 HB3 SER 41 2HB SER 41 14.772 18.375 -8.713 296 HG SER 41 HG SER 41 16.245 16.722 -7.582 297 H GLY 42 H GLY 42 11.026 17.140 -9.897 298 HA2 GLY 42 1HA GLY 42 11.909 17.869 -12.621 299 HA3 GLY 42 2HA GLY 42 10.396 17.049 -12.265 300 HA PRO 43 HA PRO 43 8.403 20.961 -12.362 301 HB2 PRO 43 1HB PRO 43 6.187 20.366 -10.911 302 HB3 PRO 43 2HB PRO 43 6.436 19.791 -12.564 303 HG2 PRO 43 1HG PRO 43 6.872 18.356 -9.973 304 HG3 PRO 43 2HG PRO 43 6.131 17.762 -11.469 305 HD2 PRO 43 1HD PRO 43 8.687 17.190 -10.783 306 HD3 PRO 43 2HD PRO 43 8.169 17.369 -12.472 307 H SER 44 H SER 44 9.742 19.621 -9.594 308 HA SER 44 HA SER 44 8.892 20.841 -7.382 309 HB2 SER 44 1HB SER 44 11.264 21.098 -6.657 310 HB3 SER 44 2HB SER 44 10.931 19.525 -7.380 311 HG SER 44 HG SER 44 12.155 21.747 -8.656 312 H SER 45 H SER 45 7.887 22.778 -7.418 313 HA SER 45 HA SER 45 9.556 25.121 -7.999 314 HB2 SER 45 1HB SER 45 7.696 26.237 -9.130 315 HB3 SER 45 2HB SER 45 8.097 24.732 -9.957 316 HG SER 45 HG SER 45 5.964 25.149 -8.130 317 H GLY 46 H GLY 46 8.688 27.129 -7.030 318 HA2 GLY 46 1HA GLY 46 7.243 26.515 -4.526 319 HA3 GLY 46 2HA GLY 46 8.513 27.724 -4.650 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -11.746 -29.264 -14.820 2 HA2 GLY 1 1HA GLY 1 -9.156 -27.991 -15.105 3 HA3 GLY 1 2HA GLY 1 -10.491 -27.121 -15.846 4 H SER 2 H SER 2 -10.131 -28.914 -12.786 5 HA SER 2 HA SER 2 -11.760 -27.149 -11.319 6 HB2 SER 2 1HB SER 2 -11.027 -29.573 -10.761 7 HB3 SER 2 2HB SER 2 -9.602 -28.817 -10.047 8 HG SER 2 HG SER 2 -11.596 -29.215 -8.692 9 H SER 3 H SER 3 -8.214 -27.514 -11.344 10 HA SER 3 HA SER 3 -8.024 -24.758 -10.316 11 HB2 SER 3 1HB SER 3 -6.005 -26.973 -9.900 12 HB3 SER 3 2HB SER 3 -5.981 -25.366 -9.174 13 HG SER 3 HG SER 3 -7.662 -27.549 -8.618 14 H GLY 4 H GLY 4 -8.006 -23.926 -12.457 15 HA2 GLY 4 1HA GLY 4 -6.121 -24.777 -14.413 16 HA3 GLY 4 2HA GLY 4 -7.053 -23.287 -14.451 17 H SER 5 H SER 5 -4.153 -23.981 -14.991 18 HA SER 5 HA SER 5 -2.756 -22.440 -12.962 19 HB2 SER 5 1HB SER 5 -0.728 -23.018 -14.210 20 HB3 SER 5 2HB SER 5 -1.698 -24.460 -13.910 21 HG SER 5 HG SER 5 -2.412 -24.388 -16.029 22 H SER 6 H SER 6 -4.534 -20.769 -13.970 23 HA SER 6 HA SER 6 -3.174 -19.193 -16.045 24 HB2 SER 6 1HB SER 6 -6.038 -19.268 -15.098 25 HB3 SER 6 2HB SER 6 -5.420 -17.959 -16.106 26 HG SER 6 HG SER 6 -4.860 -19.532 -17.668 27 H GLY 7 H GLY 7 -4.755 -18.885 -12.878 28 HA2 GLY 7 1HA GLY 7 -3.872 -17.576 -11.108 29 HA3 GLY 7 2HA GLY 7 -2.969 -16.637 -12.288 30 H SER 8 H SER 8 -4.727 -15.745 -10.111 31 HA SER 8 HA SER 8 -6.382 -13.952 -11.708 32 HB2 SER 8 1HB SER 8 -8.401 -14.376 -10.561 33 HB3 SER 8 2HB SER 8 -7.753 -15.978 -10.912 34 HG SER 8 HG SER 8 -6.900 -15.978 -8.761 35 H ARG 9 H ARG 9 -6.069 -11.934 -11.056 36 HA ARG 9 HA ARG 9 -5.376 -11.447 -8.237 37 HB2 ARG 9 1HB ARG 9 -4.026 -10.422 -10.717 38 HB3 ARG 9 2HB ARG 9 -3.961 -9.506 -9.218 39 HG2 ARG 9 1HG ARG 9 -2.014 -10.737 -9.142 40 HG3 ARG 9 2HG ARG 9 -3.120 -11.720 -8.181 41 HD2 ARG 9 1HD ARG 9 -3.338 -13.323 -9.832 42 HD3 ARG 9 2HD ARG 9 -2.867 -12.210 -11.116 43 HE ARG 9 HE ARG 9 -0.674 -12.540 -9.427 44 HH11 ARG 9 1HH1 ARG 9 -2.606 -14.429 -11.622 45 HH12 ARG 9 2HH1 ARG 9 -1.313 -15.504 -12.042 46 HH21 ARG 9 1HH2 ARG 9 1.036 -13.948 -9.971 47 HH22 ARG 9 2HH2 ARG 9 0.758 -15.229 -11.102 48 H GLU 10 H GLU 10 -7.956 -11.268 -9.051 49 HA GLU 10 HA GLU 10 -8.428 -8.387 -9.424 50 HB2 GLU 10 1HB GLU 10 -10.772 -9.131 -10.044 51 HB3 GLU 10 2HB GLU 10 -9.499 -9.563 -11.176 52 HG2 GLU 10 1HG GLU 10 -9.431 -11.822 -10.181 53 HG3 GLU 10 2HG GLU 10 -10.787 -11.373 -9.148 54 H LYS 11 H LYS 11 -9.583 -11.229 -7.632 55 HA LYS 11 HA LYS 11 -11.307 -9.842 -5.895 56 HB2 LYS 11 1HB LYS 11 -10.004 -12.522 -5.901 57 HB3 LYS 11 2HB LYS 11 -10.698 -11.950 -4.389 58 HG2 LYS 11 1HG LYS 11 -12.318 -11.868 -6.895 59 HG3 LYS 11 2HG LYS 11 -12.127 -13.383 -6.010 60 HD2 LYS 11 1HD LYS 11 -13.055 -12.386 -4.018 61 HD3 LYS 11 2HD LYS 11 -13.122 -10.804 -4.799 62 HE2 LYS 11 1HE LYS 11 -15.305 -11.565 -4.986 63 HE3 LYS 11 2HE LYS 11 -14.608 -11.992 -6.548 64 HZ1 LYS 11 3HZ LYS 11 -15.481 -13.717 -4.370 65 HZ2 LYS 11 1HZ LYS 11 -14.088 -14.203 -5.200 66 HZ3 LYS 11 2HZ LYS 11 -15.536 -13.970 -6.042 67 H SER 12 H SER 12 -7.911 -10.805 -5.554 68 HA SER 12 HA SER 12 -7.744 -9.268 -3.063 69 HB2 SER 12 1HB SER 12 -5.706 -11.140 -4.292 70 HB3 SER 12 2HB SER 12 -5.618 -10.406 -2.691 71 HG SER 12 HG SER 12 -6.751 -12.024 -2.010 72 H HIS 13 H HIS 13 -6.209 -7.640 -2.764 73 HA HIS 13 HA HIS 13 -4.846 -6.677 -5.185 74 HB2 HIS 13 1HB HIS 13 -6.552 -5.073 -3.280 75 HB3 HIS 13 2HB HIS 13 -5.398 -4.329 -4.383 76 HD1 HIS 13 HD1 HIS 13 -5.862 -5.454 -7.012 77 HD2 HIS 13 HD2 HIS 13 -9.013 -4.934 -4.355 78 HE1 HIS 13 HE1 HIS 13 -7.937 -5.401 -8.432 79 H GLN 14 H GLN 14 -2.863 -7.430 -4.448 80 HA GLN 14 HA GLN 14 -1.889 -6.419 -1.881 81 HB2 GLN 14 1HB GLN 14 -1.614 -8.834 -2.459 82 HB3 GLN 14 2HB GLN 14 -0.555 -8.355 -3.779 83 HG2 GLN 14 1HG GLN 14 0.842 -7.181 -1.992 84 HG3 GLN 14 2HG GLN 14 -0.091 -8.122 -0.829 85 HE21 GLN 14 1HE2 GLN 14 2.764 -8.193 -1.484 86 HE22 GLN 14 2HE2 GLN 14 3.103 -9.826 -1.934 87 H CYS 15 H CYS 15 0.140 -5.339 -1.718 88 HA CYS 15 HA CYS 15 0.659 -3.611 -4.008 89 HB2 CYS 15 1HB CYS 15 0.407 -2.407 -1.980 90 HB3 CYS 15 2HB CYS 15 1.468 -3.507 -1.106 91 H ARG 16 H ARG 16 2.571 -3.501 -5.101 92 HA ARG 16 HA ARG 16 4.452 -5.697 -4.609 93 HB2 ARG 16 1HB ARG 16 4.098 -3.952 -7.054 94 HB3 ARG 16 2HB ARG 16 5.219 -5.299 -6.914 95 HG2 ARG 16 1HG ARG 16 3.054 -6.652 -6.346 96 HG3 ARG 16 2HG ARG 16 2.255 -5.318 -7.182 97 HD2 ARG 16 1HD ARG 16 3.997 -5.733 -9.037 98 HD3 ARG 16 2HD ARG 16 4.250 -7.287 -8.244 99 HE ARG 16 HE ARG 16 1.493 -6.695 -8.830 100 HH11 ARG 16 1HH1 ARG 16 4.458 -8.081 -10.018 101 HH12 ARG 16 2HH1 ARG 16 3.670 -9.100 -11.176 102 HH21 ARG 16 1HH2 ARG 16 0.444 -8.032 -10.352 103 HH22 ARG 16 2HH2 ARG 16 1.387 -9.071 -11.366 104 H GLU 17 H GLU 17 4.192 -2.229 -4.718 105 HA GLU 17 HA GLU 17 6.787 -1.397 -5.022 106 HB2 GLU 17 1HB GLU 17 4.662 -0.330 -3.161 107 HB3 GLU 17 2HB GLU 17 6.179 0.499 -3.479 108 HG2 GLU 17 1HG GLU 17 4.032 -0.148 -5.484 109 HG3 GLU 17 2HG GLU 17 4.424 1.441 -4.830 110 H CYS 18 H CYS 18 5.243 -2.115 -1.884 111 HA CYS 18 HA CYS 18 7.930 -2.629 -0.790 112 HB2 CYS 18 1HB CYS 18 7.025 -2.055 1.404 113 HB3 CYS 18 2HB CYS 18 6.760 -0.736 0.268 114 H GLY 19 H GLY 19 4.578 -3.756 -0.859 115 HA2 GLY 19 1HA GLY 19 4.198 -6.148 -1.101 116 HA3 GLY 19 2HA GLY 19 5.565 -6.412 -0.028 117 H GLU 20 H GLU 20 2.203 -5.477 -0.229 118 HA GLU 20 HA GLU 20 1.754 -6.420 2.456 119 HB2 GLU 20 1HB GLU 20 2.445 -4.114 2.902 120 HB3 GLU 20 2HB GLU 20 1.231 -3.521 1.778 121 HG2 GLU 20 1HG GLU 20 0.148 -3.210 3.756 122 HG3 GLU 20 2HG GLU 20 -0.411 -4.830 3.343 123 H ILE 21 H ILE 21 -0.295 -7.156 2.733 124 HA ILE 21 HA ILE 21 -2.078 -6.934 0.416 125 HB ILE 21 HB ILE 21 -2.158 -8.880 2.725 126 HG12 ILE 21 1HG1 ILE 21 -1.491 -9.486 -0.150 127 HG13 ILE 21 2HG1 ILE 21 -0.250 -9.036 1.013 128 HG21 ILE 21 1HG2 ILE 21 -4.369 -8.356 1.724 129 HG22 ILE 21 2HG2 ILE 21 -3.751 -8.908 0.168 130 HG23 ILE 21 3HG2 ILE 21 -3.880 -10.038 1.516 131 HD11 ILE 21 3HD1 ILE 21 -0.993 -10.953 2.423 132 HD12 ILE 21 1HD1 ILE 21 -2.048 -11.441 1.098 133 HD13 ILE 21 2HD1 ILE 21 -0.300 -11.405 0.866 134 H PHE 22 H PHE 22 -3.680 -5.519 0.527 135 HA PHE 22 HA PHE 22 -4.758 -4.803 3.169 136 HB2 PHE 22 1HB PHE 22 -4.711 -3.258 0.572 137 HB3 PHE 22 2HB PHE 22 -5.598 -2.739 2.002 138 HD1 PHE 22 HD2 PHE 22 -4.340 -2.197 4.089 139 HD2 PHE 22 HD1 PHE 22 -2.397 -2.892 0.366 140 HE1 PHE 22 HE2 PHE 22 -2.316 -1.089 4.942 141 HE2 PHE 22 HE1 PHE 22 -0.369 -1.785 1.214 142 HZ PHE 22 HZ PHE 22 -0.327 -0.881 3.504 143 H PHE 23 H PHE 23 -7.031 -4.529 3.405 144 HA PHE 23 HA PHE 23 -8.547 -6.388 1.756 145 HB2 PHE 23 1HB PHE 23 -9.100 -5.012 4.379 146 HB3 PHE 23 2HB PHE 23 -10.349 -5.901 3.514 147 HD1 PHE 23 HD1 PHE 23 -6.786 -6.434 4.503 148 HD2 PHE 23 HD2 PHE 23 -10.724 -8.031 4.252 149 HE1 PHE 23 HE1 PHE 23 -6.000 -8.527 5.532 150 HE2 PHE 23 HE2 PHE 23 -9.944 -10.125 5.281 151 HZ PHE 23 HZ PHE 23 -7.579 -10.375 5.923 152 H GLN 24 H GLN 24 -9.144 -3.128 3.082 153 HA GLN 24 HA GLN 24 -11.210 -2.583 1.187 154 HB2 GLN 24 1HB GLN 24 -9.729 -0.844 3.157 155 HB3 GLN 24 2HB GLN 24 -11.002 -0.229 2.111 156 HG2 GLN 24 1HG GLN 24 -12.656 -1.333 3.234 157 HG3 GLN 24 2HG GLN 24 -11.577 -2.612 3.788 158 HE21 GLN 24 1HE2 GLN 24 -9.957 -1.974 5.418 159 HE22 GLN 24 2HE2 GLN 24 -10.418 -0.816 6.614 160 H TYR 25 H TYR 25 -11.119 -1.568 -0.734 161 HA TYR 25 HA TYR 25 -8.648 -1.330 -2.083 162 HB2 TYR 25 1HB TYR 25 -11.052 -1.697 -3.021 163 HB3 TYR 25 2HB TYR 25 -11.137 0.061 -3.019 164 HD1 TYR 25 HD2 TYR 25 -9.695 1.377 -4.502 165 HD2 TYR 25 HD1 TYR 25 -9.655 -2.876 -4.592 166 HE1 TYR 25 HE2 TYR 25 -8.535 1.440 -6.669 167 HE2 TYR 25 HE1 TYR 25 -8.493 -2.826 -6.759 168 HH TYR 25 HH TYR 25 -6.946 -1.101 -7.978 169 H VAL 26 H VAL 26 -10.872 1.083 -0.738 170 HA VAL 26 HA VAL 26 -9.583 3.394 -1.581 171 HB VAL 26 HB VAL 26 -11.075 2.930 1.004 172 HG11 VAL 26 1HG1 VAL 26 -11.368 5.353 1.073 173 HG12 VAL 26 2HG1 VAL 26 -9.659 4.919 1.132 174 HG13 VAL 26 3HG1 VAL 26 -10.366 5.521 -0.368 175 HG21 VAL 26 3HG2 VAL 26 -12.564 4.475 -0.811 176 HG22 VAL 26 1HG2 VAL 26 -11.920 3.113 -1.727 177 HG23 VAL 26 2HG2 VAL 26 -12.886 2.824 -0.280 178 H SER 27 H SER 27 -8.807 1.211 1.038 179 HA SER 27 HA SER 27 -6.953 2.937 2.346 180 HB2 SER 27 1HB SER 27 -7.143 -0.082 2.465 181 HB3 SER 27 2HB SER 27 -6.297 0.956 3.613 182 HG SER 27 HG SER 27 -8.186 1.656 4.403 183 H LEU 28 H LEU 28 -6.766 0.684 -0.300 184 HA LEU 28 HA LEU 28 -3.938 0.388 -0.317 185 HB2 LEU 28 1HB LEU 28 -5.245 -1.264 -1.411 186 HB3 LEU 28 2HB LEU 28 -6.059 -0.056 -2.402 187 HG LEU 28 HG LEU 28 -3.786 0.373 -3.467 188 HD11 LEU 28 1HD1 LEU 28 -3.162 -2.307 -2.239 189 HD12 LEU 28 2HD1 LEU 28 -2.489 -0.772 -1.689 190 HD13 LEU 28 3HD1 LEU 28 -2.133 -1.359 -3.314 191 HD21 LEU 28 3HD2 LEU 28 -4.159 -2.247 -4.411 192 HD22 LEU 28 1HD2 LEU 28 -4.803 -0.750 -5.088 193 HD23 LEU 28 2HD2 LEU 28 -5.749 -1.666 -3.915 194 H ILE 29 H ILE 29 -6.114 2.251 -2.446 195 HA ILE 29 HA ILE 29 -4.246 3.571 -3.962 196 HB ILE 29 HB ILE 29 -6.787 3.692 -4.141 197 HG12 ILE 29 1HG1 ILE 29 -5.350 6.336 -4.404 198 HG13 ILE 29 2HG1 ILE 29 -5.107 4.992 -5.514 199 HG21 ILE 29 1HG2 ILE 29 -6.621 4.836 -1.668 200 HG22 ILE 29 2HG2 ILE 29 -6.824 6.242 -2.711 201 HG23 ILE 29 3HG2 ILE 29 -8.014 4.942 -2.745 202 HD11 ILE 29 3HD1 ILE 29 -7.812 5.223 -5.528 203 HD12 ILE 29 1HD1 ILE 29 -7.310 6.900 -5.319 204 HD13 ILE 29 2HD1 ILE 29 -6.725 5.969 -6.698 205 H GLU 30 H GLU 30 -5.120 4.143 -0.639 206 HA GLU 30 HA GLU 30 -3.800 6.699 -0.484 207 HB2 GLU 30 1HB GLU 30 -5.167 4.887 1.465 208 HB3 GLU 30 2HB GLU 30 -4.113 6.156 2.070 209 HG2 GLU 30 1HG GLU 30 -5.444 7.840 0.959 210 HG3 GLU 30 2HG GLU 30 -6.466 6.594 0.246 211 H HIS 31 H HIS 31 -3.129 3.402 0.651 212 HA HIS 31 HA HIS 31 -0.709 3.930 1.945 213 HB2 HIS 31 1HB HIS 31 -1.503 1.818 2.421 214 HB3 HIS 31 2HB HIS 31 -1.970 1.501 0.753 215 HD1 HIS 31 HD1 HIS 31 1.106 1.610 2.948 216 HD2 HIS 31 HD2 HIS 31 -0.130 0.105 -0.722 217 HE1 HIS 31 HE1 HIS 31 2.986 0.139 2.158 218 H GLN 32 H GLN 32 -1.380 3.099 -1.430 219 HA GLN 32 HA GLN 32 1.203 2.756 -2.359 220 HB2 GLN 32 1HB GLN 32 -1.237 3.901 -3.710 221 HB3 GLN 32 2HB GLN 32 0.271 3.610 -4.566 222 HG2 GLN 32 1HG GLN 32 -0.909 1.376 -3.009 223 HG3 GLN 32 2HG GLN 32 -1.675 1.836 -4.529 224 HE21 GLN 32 1HE2 GLN 32 -0.945 0.869 -6.275 225 HE22 GLN 32 2HE2 GLN 32 0.608 0.135 -6.461 226 H VAL 33 H VAL 33 -0.654 5.765 -2.048 227 HA VAL 33 HA VAL 33 0.988 7.591 -3.218 228 HB VAL 33 HB VAL 33 -0.434 7.930 -0.574 229 HG11 VAL 33 1HG1 VAL 33 0.381 9.991 -0.473 230 HG12 VAL 33 2HG1 VAL 33 1.365 9.666 -1.902 231 HG13 VAL 33 3HG1 VAL 33 -0.256 10.339 -2.080 232 HG21 VAL 33 3HG2 VAL 33 -2.100 9.116 -2.120 233 HG22 VAL 33 1HG2 VAL 33 -1.282 8.267 -3.432 234 HG23 VAL 33 2HG2 VAL 33 -2.069 7.353 -2.145 235 H LEU 34 H LEU 34 1.379 6.189 0.011 236 HA LEU 34 HA LEU 34 3.386 7.649 1.093 237 HB2 LEU 34 1HB LEU 34 3.311 4.636 1.043 238 HB3 LEU 34 2HB LEU 34 4.160 5.638 2.218 239 HG LEU 34 HG LEU 34 1.164 5.597 1.877 240 HD11 LEU 34 1HD1 LEU 34 2.985 3.823 3.340 241 HD12 LEU 34 2HD1 LEU 34 1.320 3.567 2.819 242 HD13 LEU 34 3HD1 LEU 34 1.653 4.473 4.295 243 HD21 LEU 34 3HD2 LEU 34 2.836 7.439 3.119 244 HD22 LEU 34 1HD2 LEU 34 2.224 6.432 4.432 245 HD23 LEU 34 2HD2 LEU 34 1.097 7.258 3.355 246 H HIS 35 H HIS 35 3.833 5.016 -1.258 247 HA HIS 35 HA HIS 35 6.640 5.254 -1.428 248 HB2 HIS 35 1HB HIS 35 4.810 4.247 -3.609 249 HB3 HIS 35 2HB HIS 35 6.497 3.817 -3.341 250 HD1 HIS 35 HD1 HIS 35 6.591 2.944 -0.503 251 HD2 HIS 35 HD2 HIS 35 3.370 2.058 -2.974 252 HE1 HIS 35 HE1 HIS 35 5.482 0.938 0.531 253 H MET 36 H MET 36 4.017 6.627 -3.380 254 HA MET 36 HA MET 36 5.299 7.786 -5.453 255 HB2 MET 36 1HB MET 36 2.823 8.013 -4.549 256 HB3 MET 36 2HB MET 36 3.429 9.542 -3.926 257 HG2 MET 36 1HG MET 36 3.665 8.717 -6.805 258 HG3 MET 36 2HG MET 36 2.314 9.649 -6.163 259 HE1 MET 36 3HE MET 36 3.407 13.100 -5.842 260 HE2 MET 36 1HE MET 36 2.611 12.304 -7.200 261 HE3 MET 36 2HE MET 36 2.222 11.827 -5.547 262 H GLY 37 H GLY 37 7.108 8.930 -5.599 263 HA2 GLY 37 1HA GLY 37 8.231 11.031 -5.242 264 HA3 GLY 37 2HA GLY 37 7.591 11.044 -3.605 265 H GLN 38 H GLN 38 9.790 9.245 -5.734 266 HA GLN 38 HA GLN 38 11.862 9.242 -3.787 267 HB2 GLN 38 1HB GLN 38 10.422 7.488 -2.820 268 HB3 GLN 38 2HB GLN 38 10.512 6.592 -4.330 269 HG2 GLN 38 1HG GLN 38 12.663 5.921 -3.970 270 HG3 GLN 38 2HG GLN 38 13.049 7.320 -2.970 271 HE21 GLN 38 1HE2 GLN 38 12.484 4.077 -2.937 272 HE22 GLN 38 2HE2 GLN 38 12.078 3.873 -1.271 273 H LYS 39 H LYS 39 13.779 9.046 -4.779 274 HA LYS 39 HA LYS 39 13.962 8.941 -7.573 275 HB2 LYS 39 1HB LYS 39 15.981 8.708 -5.361 276 HB3 LYS 39 2HB LYS 39 16.465 8.512 -7.040 277 HG2 LYS 39 1HG LYS 39 14.995 10.935 -6.045 278 HG3 LYS 39 2HG LYS 39 16.756 10.812 -6.053 279 HD2 LYS 39 1HD LYS 39 16.881 10.840 -8.354 280 HD3 LYS 39 2HD LYS 39 15.241 10.220 -8.556 281 HE2 LYS 39 1HE LYS 39 14.304 12.339 -7.923 282 HE3 LYS 39 2HE LYS 39 15.896 12.966 -7.499 283 HZ1 LYS 39 3HZ LYS 39 15.773 13.809 -9.568 284 HZ2 LYS 39 1HZ LYS 39 14.660 12.655 -10.109 285 HZ3 LYS 39 2HZ LYS 39 16.305 12.271 -10.028 286 H ASN 40 H ASN 40 15.262 7.358 -8.832 287 HA ASN 40 HA ASN 40 14.508 4.631 -8.051 288 HB2 ASN 40 1HB ASN 40 15.082 5.907 -10.721 289 HB3 ASN 40 2HB ASN 40 15.009 4.158 -10.522 290 HD21 ASN 40 1HD2 ASN 40 13.028 3.213 -9.846 291 HD22 ASN 40 2HD2 ASN 40 11.527 4.015 -10.144 292 H SER 41 H SER 41 16.238 4.158 -6.687 293 HA SER 41 HA SER 41 18.883 4.049 -7.981 294 HB2 SER 41 1HB SER 41 18.122 4.321 -5.069 295 HB3 SER 41 2HB SER 41 19.759 3.934 -5.600 296 HG SER 41 HG SER 41 18.273 6.248 -6.314 297 H GLY 42 H GLY 42 16.960 2.340 -5.503 298 HA2 GLY 42 1HA GLY 42 16.487 -0.059 -6.135 299 HA3 GLY 42 2HA GLY 42 18.217 -0.169 -6.425 300 HA PRO 43 HA PRO 43 17.444 0.251 -1.638 301 HB2 PRO 43 1HB PRO 43 14.969 -0.523 -0.835 302 HB3 PRO 43 2HB PRO 43 15.370 1.152 -1.230 303 HG2 PRO 43 1HG PRO 43 13.998 -0.912 -2.908 304 HG3 PRO 43 2HG PRO 43 13.601 0.803 -2.698 305 HD2 PRO 43 1HD PRO 43 14.940 -0.128 -4.860 306 HD3 PRO 43 2HD PRO 43 15.222 1.490 -4.186 307 H SER 44 H SER 44 15.678 -2.244 -3.434 308 HA SER 44 HA SER 44 16.981 -4.277 -1.742 309 HB2 SER 44 1HB SER 44 14.375 -3.997 -1.720 310 HB3 SER 44 2HB SER 44 14.458 -4.850 -3.261 311 HG SER 44 HG SER 44 14.294 -6.448 -1.804 312 H SER 45 H SER 45 18.781 -4.159 -3.237 313 HA SER 45 HA SER 45 18.256 -5.315 -5.883 314 HB2 SER 45 1HB SER 45 20.721 -3.937 -4.790 315 HB3 SER 45 2HB SER 45 20.574 -4.595 -6.420 316 HG SER 45 HG SER 45 18.923 -3.113 -6.823 317 H GLY 46 H GLY 46 19.660 -7.012 -6.677 318 HA2 GLY 46 1HA GLY 46 21.183 -8.510 -4.697 319 HA3 GLY 46 2HA GLY 46 19.755 -9.310 -5.335 Start of MODEL 4 1 H1 GLY 1 H GLY 1 7.103 -13.512 -18.609 2 HA2 GLY 1 1HA GLY 1 9.154 -12.794 -19.468 3 HA3 GLY 1 2HA GLY 1 8.910 -11.239 -18.687 4 H SER 2 H SER 2 9.508 -10.971 -16.513 5 HA SER 2 HA SER 2 11.852 -12.248 -15.726 6 HB2 SER 2 1HB SER 2 9.838 -10.665 -14.121 7 HB3 SER 2 2HB SER 2 11.382 -11.210 -13.465 8 HG SER 2 HG SER 2 10.885 -9.346 -15.520 9 H SER 3 H SER 3 12.332 -13.819 -14.200 10 HA SER 3 HA SER 3 10.320 -15.861 -13.887 11 HB2 SER 3 1HB SER 3 12.825 -16.223 -14.368 12 HB3 SER 3 2HB SER 3 13.067 -15.917 -12.649 13 HG SER 3 HG SER 3 12.807 -18.149 -13.109 14 H GLY 4 H GLY 4 8.776 -15.206 -12.449 15 HA2 GLY 4 1HA GLY 4 9.502 -15.308 -9.658 16 HA3 GLY 4 2HA GLY 4 8.947 -13.725 -10.182 17 H SER 5 H SER 5 6.787 -13.502 -10.960 18 HA SER 5 HA SER 5 4.948 -15.694 -10.820 19 HB2 SER 5 1HB SER 5 5.235 -13.826 -8.516 20 HB3 SER 5 2HB SER 5 3.601 -14.295 -8.987 21 HG SER 5 HG SER 5 5.063 -15.650 -7.436 22 H SER 6 H SER 6 2.887 -15.170 -11.617 23 HA SER 6 HA SER 6 2.327 -12.423 -12.375 24 HB2 SER 6 1HB SER 6 2.210 -12.781 -14.716 25 HB3 SER 6 2HB SER 6 3.743 -13.496 -14.216 26 HG SER 6 HG SER 6 2.779 -15.004 -15.483 27 H GLY 7 H GLY 7 0.159 -12.336 -13.590 28 HA2 GLY 7 1HA GLY 7 -1.940 -13.535 -14.004 29 HA3 GLY 7 2HA GLY 7 -1.633 -14.428 -12.522 30 H SER 8 H SER 8 -2.396 -11.230 -13.813 31 HA SER 8 HA SER 8 -2.722 -9.667 -11.657 32 HB2 SER 8 1HB SER 8 -4.605 -10.000 -13.994 33 HB3 SER 8 2HB SER 8 -4.795 -8.722 -12.794 34 HG SER 8 HG SER 8 -3.022 -8.928 -14.860 35 H ARG 9 H ARG 9 -3.852 -9.625 -9.818 36 HA ARG 9 HA ARG 9 -5.914 -11.687 -9.433 37 HB2 ARG 9 1HB ARG 9 -4.144 -10.256 -7.447 38 HB3 ARG 9 2HB ARG 9 -5.467 -11.319 -6.986 39 HG2 ARG 9 1HG ARG 9 -4.389 -13.217 -7.816 40 HG3 ARG 9 2HG ARG 9 -3.256 -12.261 -8.774 41 HD2 ARG 9 1HD ARG 9 -3.332 -12.122 -5.773 42 HD3 ARG 9 2HD ARG 9 -2.372 -13.328 -6.631 43 HE ARG 9 HE ARG 9 -1.708 -10.603 -6.249 44 HH11 ARG 9 1HH1 ARG 9 -1.528 -13.168 -8.595 45 HH12 ARG 9 2HH1 ARG 9 -0.120 -12.530 -9.377 46 HH21 ARG 9 1HH2 ARG 9 0.145 -9.753 -7.270 47 HH22 ARG 9 2HH2 ARG 9 0.831 -10.588 -8.623 48 H GLU 10 H GLU 10 -7.940 -10.996 -9.460 49 HA GLU 10 HA GLU 10 -8.516 -8.176 -8.988 50 HB2 GLU 10 1HB GLU 10 -10.153 -10.455 -10.092 51 HB3 GLU 10 2HB GLU 10 -10.848 -8.881 -9.732 52 HG2 GLU 10 1HG GLU 10 -8.912 -8.003 -11.246 53 HG3 GLU 10 2HG GLU 10 -8.915 -9.656 -11.859 54 H LYS 11 H LYS 11 -9.575 -11.360 -7.816 55 HA LYS 11 HA LYS 11 -11.453 -10.732 -5.972 56 HB2 LYS 11 1HB LYS 11 -9.200 -12.724 -5.791 57 HB3 LYS 11 2HB LYS 11 -10.446 -12.613 -4.555 58 HG2 LYS 11 1HG LYS 11 -11.102 -13.020 -7.455 59 HG3 LYS 11 2HG LYS 11 -10.762 -14.363 -6.361 60 HD2 LYS 11 1HD LYS 11 -12.671 -13.999 -5.110 61 HD3 LYS 11 2HD LYS 11 -12.789 -12.305 -5.592 62 HE2 LYS 11 1HE LYS 11 -14.545 -13.492 -6.685 63 HE3 LYS 11 2HE LYS 11 -13.337 -13.088 -7.903 64 HZ1 LYS 11 3HZ LYS 11 -13.508 -15.243 -8.427 65 HZ2 LYS 11 1HZ LYS 11 -14.188 -15.674 -6.939 66 HZ3 LYS 11 2HZ LYS 11 -12.512 -15.506 -7.085 67 H SER 12 H SER 12 -7.943 -10.625 -5.386 68 HA SER 12 HA SER 12 -8.474 -8.778 -3.152 69 HB2 SER 12 1HB SER 12 -6.242 -10.820 -3.283 70 HB3 SER 12 2HB SER 12 -6.585 -9.727 -1.942 71 HG SER 12 HG SER 12 -8.052 -11.065 -1.270 72 H HIS 13 H HIS 13 -6.542 -7.412 -2.609 73 HA HIS 13 HA HIS 13 -5.003 -6.744 -5.030 74 HB2 HIS 13 1HB HIS 13 -6.396 -4.884 -3.106 75 HB3 HIS 13 2HB HIS 13 -5.136 -4.338 -4.207 76 HD1 HIS 13 HD1 HIS 13 -5.778 -5.306 -6.846 77 HD2 HIS 13 HD2 HIS 13 -8.812 -4.364 -4.169 78 HE1 HIS 13 HE1 HIS 13 -7.820 -4.903 -8.258 79 H GLN 14 H GLN 14 -2.862 -6.468 -4.768 80 HA GLN 14 HA GLN 14 -1.803 -6.153 -2.050 81 HB2 GLN 14 1HB GLN 14 -1.742 -8.563 -2.738 82 HB3 GLN 14 2HB GLN 14 -0.678 -8.106 -4.061 83 HG2 GLN 14 1HG GLN 14 0.936 -7.232 -2.401 84 HG3 GLN 14 2HG GLN 14 -0.112 -7.836 -1.119 85 HE21 GLN 14 1HE2 GLN 14 1.786 -8.807 -3.921 86 HE22 GLN 14 2HE2 GLN 14 2.115 -10.411 -3.371 87 H CYS 15 H CYS 15 0.280 -5.203 -1.927 88 HA CYS 15 HA CYS 15 0.912 -3.559 -4.269 89 HB2 CYS 15 1HB CYS 15 0.511 -2.312 -2.230 90 HB3 CYS 15 2HB CYS 15 1.699 -3.279 -1.363 91 H ARG 16 H ARG 16 3.024 -3.367 -5.063 92 HA ARG 16 HA ARG 16 4.714 -5.695 -4.490 93 HB2 ARG 16 1HB ARG 16 3.869 -5.080 -6.859 94 HB3 ARG 16 2HB ARG 16 5.093 -3.819 -6.806 95 HG2 ARG 16 1HG ARG 16 6.847 -5.380 -6.690 96 HG3 ARG 16 2HG ARG 16 5.747 -6.704 -6.304 97 HD2 ARG 16 1HD ARG 16 6.296 -7.016 -8.563 98 HD3 ARG 16 2HD ARG 16 4.696 -6.275 -8.584 99 HE ARG 16 HE ARG 16 6.561 -4.221 -8.747 100 HH11 ARG 16 1HH1 ARG 16 5.536 -6.964 -10.630 101 HH12 ARG 16 2HH1 ARG 16 5.944 -6.239 -12.150 102 HH21 ARG 16 1HH2 ARG 16 7.103 -3.256 -10.742 103 HH22 ARG 16 2HH2 ARG 16 6.837 -4.130 -12.212 104 H GLU 17 H GLU 17 4.778 -2.177 -4.722 105 HA GLU 17 HA GLU 17 7.414 -1.565 -4.523 106 HB2 GLU 17 1HB GLU 17 5.136 -0.306 -2.988 107 HB3 GLU 17 2HB GLU 17 6.737 0.403 -3.141 108 HG2 GLU 17 1HG GLU 17 4.932 -0.236 -5.461 109 HG3 GLU 17 2HG GLU 17 5.061 1.348 -4.697 110 H CYS 18 H CYS 18 5.307 -2.367 -1.766 111 HA CYS 18 HA CYS 18 7.718 -2.795 -0.137 112 HB2 CYS 18 1HB CYS 18 6.055 -2.717 1.793 113 HB3 CYS 18 2HB CYS 18 6.328 -1.205 0.934 114 H GLY 19 H GLY 19 4.573 -4.217 -0.963 115 HA2 GLY 19 1HA GLY 19 4.376 -6.558 -1.452 116 HA3 GLY 19 2HA GLY 19 5.721 -6.860 -0.361 117 H GLU 20 H GLU 20 2.500 -5.329 -0.197 118 HA GLU 20 HA GLU 20 1.846 -7.080 2.052 119 HB2 GLU 20 1HB GLU 20 1.968 -4.088 2.129 120 HB3 GLU 20 2HB GLU 20 0.783 -4.934 3.114 121 HG2 GLU 20 1HG GLU 20 2.620 -6.229 4.141 122 HG3 GLU 20 2HG GLU 20 3.772 -5.267 3.217 123 H ILE 21 H ILE 21 -0.390 -7.359 2.408 124 HA ILE 21 HA ILE 21 -2.031 -6.638 0.080 125 HB ILE 21 HB ILE 21 -2.475 -8.805 2.137 126 HG12 ILE 21 1HG1 ILE 21 -1.809 -9.147 -0.784 127 HG13 ILE 21 2HG1 ILE 21 -0.564 -9.070 0.457 128 HG21 ILE 21 1HG2 ILE 21 -4.229 -9.568 0.523 129 HG22 ILE 21 2HG2 ILE 21 -4.593 -8.052 1.346 130 HG23 ILE 21 3HG2 ILE 21 -4.028 -8.034 -0.324 131 HD11 ILE 21 3HD1 ILE 21 -0.904 -11.341 0.129 132 HD12 ILE 21 1HD1 ILE 21 -1.843 -10.983 1.578 133 HD13 ILE 21 2HD1 ILE 21 -2.655 -11.162 0.022 134 H PHE 22 H PHE 22 -4.161 -5.877 0.355 135 HA PHE 22 HA PHE 22 -4.726 -4.759 3.022 136 HB2 PHE 22 1HB PHE 22 -5.376 -3.505 0.347 137 HB3 PHE 22 2HB PHE 22 -5.749 -2.823 1.926 138 HD1 PHE 22 HD1 PHE 22 -3.014 -3.702 -0.384 139 HD2 PHE 22 HD2 PHE 22 -4.127 -1.630 3.164 140 HE1 PHE 22 HE1 PHE 22 -0.829 -2.571 -0.362 141 HE2 PHE 22 HE2 PHE 22 -1.944 -0.496 3.191 142 HZ PHE 22 HZ PHE 22 -0.291 -0.965 1.426 143 H PHE 23 H PHE 23 -7.026 -4.356 3.454 144 HA PHE 23 HA PHE 23 -8.632 -6.568 2.446 145 HB2 PHE 23 1HB PHE 23 -9.185 -4.605 4.681 146 HB3 PHE 23 2HB PHE 23 -10.167 -6.013 4.289 147 HD1 PHE 23 HD2 PHE 23 -8.394 -8.177 3.943 148 HD2 PHE 23 HD1 PHE 23 -8.059 -4.908 6.648 149 HE1 PHE 23 HE2 PHE 23 -7.009 -9.558 5.435 150 HE2 PHE 23 HE1 PHE 23 -6.673 -6.284 8.144 151 HZ PHE 23 HZ PHE 23 -6.147 -8.613 7.539 152 H GLN 24 H GLN 24 -8.931 -3.047 2.868 153 HA GLN 24 HA GLN 24 -11.242 -3.035 1.080 154 HB2 GLN 24 1HB GLN 24 -10.011 -0.867 2.787 155 HB3 GLN 24 2HB GLN 24 -11.400 -0.625 1.737 156 HG2 GLN 24 1HG GLN 24 -11.338 -2.644 3.962 157 HG3 GLN 24 2HG GLN 24 -11.925 -0.993 4.155 158 HE21 GLN 24 1HE2 GLN 24 -13.956 -1.901 4.736 159 HE22 GLN 24 2HE2 GLN 24 -15.045 -2.466 3.520 160 H TYR 25 H TYR 25 -11.265 -0.919 -0.350 161 HA TYR 25 HA TYR 25 -8.972 -1.179 -2.115 162 HB2 TYR 25 1HB TYR 25 -11.491 -1.096 -2.791 163 HB3 TYR 25 2HB TYR 25 -11.298 0.646 -2.631 164 HD1 TYR 25 HD1 TYR 25 -9.551 -2.248 -4.234 165 HD2 TYR 25 HD2 TYR 25 -10.740 1.826 -4.530 166 HE1 TYR 25 HE1 TYR 25 -8.621 -2.148 -6.508 167 HE2 TYR 25 HE2 TYR 25 -9.815 1.937 -6.806 168 HH TYR 25 HH TYR 25 -9.341 -0.206 -8.706 169 H VAL 26 H VAL 26 -10.658 1.379 -0.323 170 HA VAL 26 HA VAL 26 -9.120 3.555 -1.101 171 HB VAL 26 HB VAL 26 -10.343 3.075 1.621 172 HG11 VAL 26 1HG1 VAL 26 -8.683 5.161 0.706 173 HG12 VAL 26 2HG1 VAL 26 -10.321 5.811 0.799 174 HG13 VAL 26 3HG1 VAL 26 -9.582 5.072 2.220 175 HG21 VAL 26 3HG2 VAL 26 -11.715 3.058 -0.670 176 HG22 VAL 26 1HG2 VAL 26 -12.357 3.750 0.820 177 HG23 VAL 26 2HG2 VAL 26 -11.644 4.800 -0.405 178 H SER 27 H SER 27 -8.477 1.089 1.321 179 HA SER 27 HA SER 27 -6.297 2.332 2.590 180 HB2 SER 27 1HB SER 27 -7.603 0.246 3.327 181 HB3 SER 27 2HB SER 27 -6.553 -0.651 2.231 182 HG SER 27 HG SER 27 -5.713 0.968 4.407 183 H LEU 28 H LEU 28 -6.601 0.924 -0.506 184 HA LEU 28 HA LEU 28 -3.740 0.458 -0.802 185 HB2 LEU 28 1HB LEU 28 -5.148 -1.193 -1.788 186 HB3 LEU 28 2HB LEU 28 -6.091 0.034 -2.632 187 HG LEU 28 HG LEU 28 -4.070 0.545 -4.003 188 HD11 LEU 28 1HD1 LEU 28 -2.954 -1.574 -2.259 189 HD12 LEU 28 2HD1 LEU 28 -2.180 -0.150 -2.954 190 HD13 LEU 28 3HD1 LEU 28 -2.470 -1.573 -3.955 191 HD21 LEU 28 3HD2 LEU 28 -5.965 -1.164 -4.526 192 HD22 LEU 28 1HD2 LEU 28 -4.691 -2.362 -4.297 193 HD23 LEU 28 2HD2 LEU 28 -4.519 -1.118 -5.536 194 H ILE 29 H ILE 29 -6.170 2.164 -2.782 195 HA ILE 29 HA ILE 29 -4.506 3.687 -4.319 196 HB ILE 29 HB ILE 29 -7.047 3.587 -4.400 197 HG12 ILE 29 1HG1 ILE 29 -5.853 6.353 -4.642 198 HG13 ILE 29 2HG1 ILE 29 -5.566 5.065 -5.807 199 HG21 ILE 29 1HG2 ILE 29 -6.943 4.613 -1.906 200 HG22 ILE 29 2HG2 ILE 29 -7.196 6.083 -2.847 201 HG23 ILE 29 3HG2 ILE 29 -8.343 4.749 -2.969 202 HD11 ILE 29 3HD1 ILE 29 -8.383 5.680 -5.181 203 HD12 ILE 29 1HD1 ILE 29 -7.481 6.891 -6.092 204 HD13 ILE 29 2HD1 ILE 29 -7.623 5.246 -6.713 205 H GLU 30 H GLU 30 -5.305 4.148 -0.955 206 HA GLU 30 HA GLU 30 -4.157 6.795 -0.827 207 HB2 GLU 30 1HB GLU 30 -5.178 4.902 1.291 208 HB3 GLU 30 2HB GLU 30 -4.498 6.481 1.658 209 HG2 GLU 30 1HG GLU 30 -6.814 6.133 -0.216 210 HG3 GLU 30 2HG GLU 30 -7.023 6.306 1.526 211 H HIS 31 H HIS 31 -3.273 3.536 0.260 212 HA HIS 31 HA HIS 31 -0.907 4.156 1.585 213 HB2 HIS 31 1HB HIS 31 -1.544 1.962 1.909 214 HB3 HIS 31 2HB HIS 31 -1.959 1.720 0.215 215 HD1 HIS 31 HD1 HIS 31 1.231 2.337 2.209 216 HD2 HIS 31 HD2 HIS 31 -0.160 0.155 -1.041 217 HE1 HIS 31 HE1 HIS 31 3.191 0.966 1.432 218 H GLN 32 H GLN 32 -1.436 3.404 -1.843 219 HA GLN 32 HA GLN 32 1.102 3.286 -2.810 220 HB2 GLN 32 1HB GLN 32 -1.316 4.631 -4.012 221 HB3 GLN 32 2HB GLN 32 0.188 4.403 -4.895 222 HG2 GLN 32 1HG GLN 32 -0.008 2.011 -4.702 223 HG3 GLN 32 2HG GLN 32 -1.440 2.179 -3.688 224 HE21 GLN 32 1HE2 GLN 32 -0.151 2.738 -6.909 225 HE22 GLN 32 2HE2 GLN 32 -1.671 2.685 -7.729 226 H VAL 33 H VAL 33 -0.703 6.223 -2.012 227 HA VAL 33 HA VAL 33 0.942 8.184 -2.976 228 HB VAL 33 HB VAL 33 -0.444 8.189 -0.290 229 HG11 VAL 33 1HG1 VAL 33 -0.402 10.645 -0.530 230 HG12 VAL 33 2HG1 VAL 33 1.214 9.948 -0.398 231 HG13 VAL 33 3HG1 VAL 33 0.602 10.466 -1.969 232 HG21 VAL 33 3HG2 VAL 33 -1.639 9.690 -2.489 233 HG22 VAL 33 1HG2 VAL 33 -1.577 7.951 -2.778 234 HG23 VAL 33 2HG2 VAL 33 -2.382 8.578 -1.340 235 H LEU 34 H LEU 34 1.248 6.579 0.190 236 HA LEU 34 HA LEU 34 3.380 7.858 1.271 237 HB2 LEU 34 1HB LEU 34 2.632 4.959 1.258 238 HB3 LEU 34 2HB LEU 34 4.079 5.507 2.102 239 HG LEU 34 HG LEU 34 1.303 6.536 2.675 240 HD11 LEU 34 1HD1 LEU 34 2.866 4.278 3.886 241 HD12 LEU 34 2HD1 LEU 34 1.207 4.278 3.289 242 HD13 LEU 34 3HD1 LEU 34 1.607 5.132 4.779 243 HD21 LEU 34 3HD2 LEU 34 3.050 6.778 4.867 244 HD22 LEU 34 1HD2 LEU 34 2.367 8.067 3.876 245 HD23 LEU 34 2HD2 LEU 34 3.929 7.364 3.455 246 H HIS 35 H HIS 35 3.660 5.059 -0.924 247 HA HIS 35 HA HIS 35 6.428 5.033 -1.148 248 HB2 HIS 35 1HB HIS 35 4.247 4.186 -3.045 249 HB3 HIS 35 2HB HIS 35 5.950 3.985 -3.447 250 HD1 HIS 35 HD1 HIS 35 7.151 2.882 -0.953 251 HD2 HIS 35 HD2 HIS 35 3.384 1.745 -2.285 252 HE1 HIS 35 HE1 HIS 35 6.712 0.643 0.103 253 H MET 36 H MET 36 4.064 6.650 -3.268 254 HA MET 36 HA MET 36 5.847 7.810 -5.048 255 HB2 MET 36 1HB MET 36 3.518 7.877 -5.543 256 HB3 MET 36 2HB MET 36 3.156 8.739 -4.054 257 HG2 MET 36 1HG MET 36 3.015 10.219 -5.962 258 HG3 MET 36 2HG MET 36 4.331 10.701 -4.894 259 HE1 MET 36 3HE MET 36 5.492 12.178 -7.448 260 HE2 MET 36 1HE MET 36 4.885 11.306 -8.856 261 HE3 MET 36 2HE MET 36 3.785 11.742 -7.548 262 H GLY 37 H GLY 37 7.600 8.936 -4.473 263 HA2 GLY 37 1HA GLY 37 7.493 10.729 -2.172 264 HA3 GLY 37 2HA GLY 37 8.934 10.264 -3.063 265 H GLN 38 H GLN 38 9.163 12.711 -2.687 266 HA GLN 38 HA GLN 38 7.716 14.279 -4.683 267 HB2 GLN 38 1HB GLN 38 9.349 14.928 -2.272 268 HB3 GLN 38 2HB GLN 38 9.233 16.130 -3.551 269 HG2 GLN 38 1HG GLN 38 7.575 16.422 -1.737 270 HG3 GLN 38 2HG GLN 38 6.860 16.232 -3.337 271 HE21 GLN 38 1HE2 GLN 38 5.954 14.168 -3.884 272 HE22 GLN 38 2HE2 GLN 38 5.328 13.144 -2.641 273 H LYS 39 H LYS 39 8.708 13.376 -6.543 274 HA LYS 39 HA LYS 39 11.528 14.144 -6.914 275 HB2 LYS 39 1HB LYS 39 10.937 11.689 -7.080 276 HB3 LYS 39 2HB LYS 39 10.004 12.089 -8.517 277 HG2 LYS 39 1HG LYS 39 12.847 12.948 -8.393 278 HG3 LYS 39 2HG LYS 39 12.486 11.244 -8.681 279 HD2 LYS 39 1HD LYS 39 11.184 13.429 -10.279 280 HD3 LYS 39 2HD LYS 39 12.757 12.765 -10.724 281 HE2 LYS 39 1HE LYS 39 11.630 10.481 -10.630 282 HE3 LYS 39 2HE LYS 39 10.103 11.360 -10.587 283 HZ1 LYS 39 3HZ LYS 39 12.078 11.186 -12.763 284 HZ2 LYS 39 1HZ LYS 39 11.053 12.528 -12.665 285 HZ3 LYS 39 2HZ LYS 39 10.400 10.976 -12.823 286 H ASN 40 H ASN 40 11.856 15.836 -8.186 287 HA ASN 40 HA ASN 40 9.807 17.109 -9.643 288 HB2 ASN 40 1HB ASN 40 11.389 18.723 -10.194 289 HB3 ASN 40 2HB ASN 40 12.052 18.052 -8.707 290 HD21 ASN 40 1HD2 ASN 40 12.819 19.018 -11.723 291 HD22 ASN 40 2HD2 ASN 40 14.248 18.083 -11.985 292 H SER 41 H SER 41 9.005 16.704 -11.591 293 HA SER 41 HA SER 41 10.438 14.827 -13.332 294 HB2 SER 41 1HB SER 41 8.257 14.528 -14.464 295 HB3 SER 41 2HB SER 41 8.160 14.171 -12.740 296 HG SER 41 HG SER 41 6.448 15.462 -13.120 297 H GLY 42 H GLY 42 9.930 15.227 -15.759 298 HA2 GLY 42 1HA GLY 42 11.209 17.603 -16.527 299 HA3 GLY 42 2HA GLY 42 10.335 16.526 -17.606 300 HA PRO 43 HA PRO 43 8.125 20.687 -16.925 301 HB2 PRO 43 1HB PRO 43 8.713 21.838 -19.313 302 HB3 PRO 43 2HB PRO 43 9.718 22.044 -17.874 303 HG2 PRO 43 1HG PRO 43 10.096 20.197 -20.199 304 HG3 PRO 43 2HG PRO 43 11.297 21.189 -19.352 305 HD2 PRO 43 1HD PRO 43 11.010 18.537 -18.888 306 HD3 PRO 43 2HD PRO 43 11.511 19.678 -17.624 307 H SER 44 H SER 44 6.065 20.947 -17.633 308 HA SER 44 HA SER 44 5.215 19.317 -19.938 309 HB2 SER 44 1HB SER 44 3.966 19.705 -17.242 310 HB3 SER 44 2HB SER 44 2.935 19.375 -18.633 311 HG SER 44 HG SER 44 4.555 17.693 -17.241 312 H SER 45 H SER 45 3.399 20.120 -21.150 313 HA SER 45 HA SER 45 3.404 23.037 -21.276 314 HB2 SER 45 1HB SER 45 3.817 21.744 -23.348 315 HB3 SER 45 2HB SER 45 2.214 21.023 -23.200 316 HG SER 45 HG SER 45 1.768 22.701 -24.440 317 H GLY 46 H GLY 46 1.986 23.906 -19.877 318 HA2 GLY 46 1HA GLY 46 -0.692 24.074 -20.295 319 HA3 GLY 46 2HA GLY 46 -0.538 22.645 -19.284 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -16.237 -32.326 -7.379 2 HA2 GLY 1 1HA GLY 1 -16.646 -30.321 -8.590 3 HA3 GLY 1 2HA GLY 1 -18.103 -30.077 -7.639 4 H SER 2 H SER 2 -14.573 -29.998 -7.506 5 HA SER 2 HA SER 2 -14.627 -27.626 -5.896 6 HB2 SER 2 1HB SER 2 -14.958 -29.551 -4.248 7 HB3 SER 2 2HB SER 2 -13.306 -30.030 -4.636 8 HG SER 2 HG SER 2 -13.883 -28.413 -2.799 9 H SER 3 H SER 3 -12.802 -26.451 -6.159 10 HA SER 3 HA SER 3 -11.018 -27.056 -8.212 11 HB2 SER 3 1HB SER 3 -10.990 -25.052 -5.977 12 HB3 SER 3 2HB SER 3 -9.589 -25.212 -7.035 13 HG SER 3 HG SER 3 -11.293 -25.023 -8.777 14 H GLY 4 H GLY 4 -10.302 -26.963 -4.712 15 HA2 GLY 4 1HA GLY 4 -9.115 -29.319 -4.268 16 HA3 GLY 4 2HA GLY 4 -7.858 -28.472 -5.158 17 H SER 5 H SER 5 -6.419 -28.432 -3.441 18 HA SER 5 HA SER 5 -7.159 -26.586 -1.270 19 HB2 SER 5 1HB SER 5 -6.959 -29.111 -0.666 20 HB3 SER 5 2HB SER 5 -5.223 -28.839 -0.816 21 HG SER 5 HG SER 5 -5.708 -26.970 0.673 22 H SER 6 H SER 6 -6.164 -24.847 -2.289 23 HA SER 6 HA SER 6 -3.227 -25.029 -2.478 24 HB2 SER 6 1HB SER 6 -5.197 -23.570 -4.229 25 HB3 SER 6 2HB SER 6 -3.499 -23.101 -4.164 26 HG SER 6 HG SER 6 -3.530 -24.560 -5.755 27 H GLY 7 H GLY 7 -5.825 -22.592 -2.189 28 HA2 GLY 7 1HA GLY 7 -6.093 -20.939 -0.585 29 HA3 GLY 7 2HA GLY 7 -4.650 -21.533 0.223 30 H SER 8 H SER 8 -5.877 -19.435 -2.295 31 HA SER 8 HA SER 8 -3.310 -17.995 -2.244 32 HB2 SER 8 1HB SER 8 -3.373 -17.626 -4.596 33 HB3 SER 8 2HB SER 8 -3.686 -19.346 -4.368 34 HG SER 8 HG SER 8 -5.670 -17.351 -4.753 35 H ARG 9 H ARG 9 -3.455 -15.719 -2.725 36 HA ARG 9 HA ARG 9 -5.969 -14.585 -1.764 37 HB2 ARG 9 1HB ARG 9 -3.159 -13.547 -1.993 38 HB3 ARG 9 2HB ARG 9 -4.507 -12.444 -1.756 39 HG2 ARG 9 1HG ARG 9 -3.620 -12.876 0.381 40 HG3 ARG 9 2HG ARG 9 -5.114 -13.809 0.274 41 HD2 ARG 9 1HD ARG 9 -3.428 -15.187 1.274 42 HD3 ARG 9 2HD ARG 9 -3.758 -15.796 -0.347 43 HE ARG 9 HE ARG 9 -1.552 -13.955 -0.222 44 HH11 ARG 9 1HH1 ARG 9 -2.535 -17.281 0.085 45 HH12 ARG 9 2HH1 ARG 9 -0.962 -17.915 -0.268 46 HH21 ARG 9 1HH2 ARG 9 0.524 -14.778 -0.688 47 HH22 ARG 9 2HH2 ARG 9 0.778 -16.490 -0.706 48 H GLU 10 H GLU 10 -7.296 -14.642 -3.560 49 HA GLU 10 HA GLU 10 -6.387 -13.166 -5.934 50 HB2 GLU 10 1HB GLU 10 -8.237 -14.259 -7.120 51 HB3 GLU 10 2HB GLU 10 -7.158 -15.436 -6.384 52 HG2 GLU 10 1HG GLU 10 -9.546 -14.569 -4.849 53 HG3 GLU 10 2HG GLU 10 -9.777 -15.654 -6.219 54 H LYS 11 H LYS 11 -8.571 -12.274 -7.096 55 HA LYS 11 HA LYS 11 -9.836 -10.358 -7.093 56 HB2 LYS 11 1HB LYS 11 -11.873 -10.581 -5.822 57 HB3 LYS 11 2HB LYS 11 -11.409 -12.166 -6.428 58 HG2 LYS 11 1HG LYS 11 -10.637 -12.850 -4.288 59 HG3 LYS 11 2HG LYS 11 -10.779 -11.212 -3.647 60 HD2 LYS 11 1HD LYS 11 -13.188 -12.592 -4.758 61 HD3 LYS 11 2HD LYS 11 -12.626 -12.979 -3.130 62 HE2 LYS 11 1HE LYS 11 -12.719 -10.554 -2.588 63 HE3 LYS 11 2HE LYS 11 -13.421 -10.265 -4.179 64 HZ1 LYS 11 3HZ LYS 11 -14.674 -12.203 -2.351 65 HZ2 LYS 11 1HZ LYS 11 -15.375 -11.307 -3.603 66 HZ3 LYS 11 2HZ LYS 11 -14.962 -10.548 -2.148 67 H SER 12 H SER 12 -7.406 -10.115 -5.554 68 HA SER 12 HA SER 12 -8.284 -8.090 -3.602 69 HB2 SER 12 1HB SER 12 -5.799 -9.804 -3.384 70 HB3 SER 12 2HB SER 12 -6.371 -8.625 -2.204 71 HG SER 12 HG SER 12 -7.370 -10.282 -1.381 72 H HIS 13 H HIS 13 -6.394 -6.534 -3.102 73 HA HIS 13 HA HIS 13 -5.090 -5.817 -5.646 74 HB2 HIS 13 1HB HIS 13 -6.410 -4.113 -3.554 75 HB3 HIS 13 2HB HIS 13 -5.165 -3.436 -4.600 76 HD1 HIS 13 HD1 HIS 13 -5.839 -4.418 -7.310 77 HD2 HIS 13 HD2 HIS 13 -8.778 -3.336 -4.580 78 HE1 HIS 13 HE1 HIS 13 -7.875 -3.890 -8.688 79 H GLN 14 H GLN 14 -3.221 -7.018 -5.061 80 HA GLN 14 HA GLN 14 -1.781 -6.349 -2.655 81 HB2 GLN 14 1HB GLN 14 -1.753 -8.629 -3.666 82 HB3 GLN 14 2HB GLN 14 -0.858 -7.974 -5.031 83 HG2 GLN 14 1HG GLN 14 1.008 -7.441 -3.639 84 HG3 GLN 14 2HG GLN 14 0.104 -7.857 -2.185 85 HE21 GLN 14 1HE2 GLN 14 2.624 -8.893 -3.497 86 HE22 GLN 14 2HE2 GLN 14 2.401 -10.606 -3.541 87 H CYS 15 H CYS 15 0.304 -5.394 -2.576 88 HA CYS 15 HA CYS 15 0.686 -3.363 -4.645 89 HB2 CYS 15 1HB CYS 15 0.647 -2.390 -2.497 90 HB3 CYS 15 2HB CYS 15 1.665 -3.654 -1.813 91 H ARG 16 H ARG 16 2.329 -3.393 -6.046 92 HA ARG 16 HA ARG 16 4.294 -5.555 -5.803 93 HB2 ARG 16 1HB ARG 16 3.114 -4.043 -8.081 94 HB3 ARG 16 2HB ARG 16 4.759 -4.637 -8.263 95 HG2 ARG 16 1HG ARG 16 2.551 -6.454 -7.378 96 HG3 ARG 16 2HG ARG 16 2.827 -6.106 -9.086 97 HD2 ARG 16 1HD ARG 16 4.070 -8.034 -8.743 98 HD3 ARG 16 2HD ARG 16 5.274 -6.757 -8.585 99 HE ARG 16 HE ARG 16 4.088 -7.507 -6.085 100 HH11 ARG 16 1HH1 ARG 16 6.564 -8.281 -8.407 101 HH12 ARG 16 2HH1 ARG 16 7.580 -9.079 -7.253 102 HH21 ARG 16 1HH2 ARG 16 5.417 -8.557 -4.556 103 HH22 ARG 16 2HH2 ARG 16 6.926 -9.237 -5.063 104 H GLU 17 H GLU 17 4.697 -3.401 -4.103 105 HA GLU 17 HA GLU 17 7.145 -2.239 -5.247 106 HB2 GLU 17 1HB GLU 17 5.338 -0.539 -5.180 107 HB3 GLU 17 2HB GLU 17 5.203 -0.784 -3.444 108 HG2 GLU 17 1HG GLU 17 7.241 0.222 -3.010 109 HG3 GLU 17 2HG GLU 17 7.819 -0.010 -4.659 110 H CYS 18 H CYS 18 5.353 -2.893 -2.247 111 HA CYS 18 HA CYS 18 7.935 -3.451 -0.938 112 HB2 CYS 18 1HB CYS 18 6.885 -2.728 1.189 113 HB3 CYS 18 2HB CYS 18 6.979 -1.430 0.004 114 H GLY 19 H GLY 19 4.466 -4.217 -0.978 115 HA2 GLY 19 1HA GLY 19 3.983 -6.653 -1.195 116 HA3 GLY 19 2HA GLY 19 5.155 -6.885 0.094 117 H GLU 20 H GLU 20 1.947 -5.733 -0.703 118 HA GLU 20 HA GLU 20 0.983 -6.435 1.901 119 HB2 GLU 20 1HB GLU 20 1.929 -4.219 2.388 120 HB3 GLU 20 2HB GLU 20 0.953 -3.519 1.105 121 HG2 GLU 20 1HG GLU 20 -0.200 -3.014 3.062 122 HG3 GLU 20 2HG GLU 20 -1.065 -4.393 2.386 123 H ILE 21 H ILE 21 -1.305 -6.447 2.030 124 HA ILE 21 HA ILE 21 -2.722 -5.885 -0.482 125 HB ILE 21 HB ILE 21 -3.040 -8.407 1.149 126 HG12 ILE 21 1HG1 ILE 21 -2.119 -8.171 -1.713 127 HG13 ILE 21 2HG1 ILE 21 -0.990 -8.174 -0.363 128 HG21 ILE 21 1HG2 ILE 21 -4.420 -7.570 -1.398 129 HG22 ILE 21 2HG2 ILE 21 -4.644 -9.091 -0.536 130 HG23 ILE 21 3HG2 ILE 21 -5.152 -7.575 0.206 131 HD11 ILE 21 3HD1 ILE 21 -2.967 -10.373 -0.905 132 HD12 ILE 21 1HD1 ILE 21 -1.295 -10.378 -1.464 133 HD13 ILE 21 2HD1 ILE 21 -1.646 -10.379 0.264 134 H PHE 22 H PHE 22 -4.352 -4.549 -0.114 135 HA PHE 22 HA PHE 22 -5.559 -4.492 2.567 136 HB2 PHE 22 1HB PHE 22 -5.604 -2.374 0.407 137 HB3 PHE 22 2HB PHE 22 -6.295 -2.217 2.018 138 HD1 PHE 22 HD1 PHE 22 -3.192 -2.368 0.076 139 HD2 PHE 22 HD2 PHE 22 -4.906 -1.820 3.933 140 HE1 PHE 22 HE1 PHE 22 -1.040 -1.513 0.908 141 HE2 PHE 22 HE2 PHE 22 -2.757 -0.964 4.771 142 HZ PHE 22 HZ PHE 22 -0.820 -0.808 3.257 143 H PHE 23 H PHE 23 -7.757 -4.637 2.842 144 HA PHE 23 HA PHE 23 -9.205 -6.081 0.868 145 HB2 PHE 23 1HB PHE 23 -10.322 -4.726 3.329 146 HB3 PHE 23 2HB PHE 23 -11.034 -6.069 2.440 147 HD1 PHE 23 HD2 PHE 23 -9.325 -8.141 2.192 148 HD2 PHE 23 HD1 PHE 23 -9.303 -5.240 5.307 149 HE1 PHE 23 HE2 PHE 23 -8.157 -9.732 3.660 150 HE2 PHE 23 HE1 PHE 23 -8.134 -6.826 6.780 151 HZ PHE 23 HZ PHE 23 -7.560 -9.076 5.958 152 H GLN 24 H GLN 24 -9.779 -2.860 2.293 153 HA GLN 24 HA GLN 24 -11.646 -2.188 0.197 154 HB2 GLN 24 1HB GLN 24 -10.669 -0.880 2.692 155 HB3 GLN 24 2HB GLN 24 -11.377 0.139 1.445 156 HG2 GLN 24 1HG GLN 24 -12.692 -2.180 2.841 157 HG3 GLN 24 2HG GLN 24 -13.058 -0.468 3.049 158 HE21 GLN 24 1HE2 GLN 24 -14.081 -3.222 1.629 159 HE22 GLN 24 2HE2 GLN 24 -14.997 -2.563 0.321 160 H TYR 25 H TYR 25 -11.238 -1.085 -1.615 161 HA TYR 25 HA TYR 25 -8.672 -0.708 -2.598 162 HB2 TYR 25 1HB TYR 25 -10.677 -0.810 -4.021 163 HB3 TYR 25 2HB TYR 25 -11.191 0.758 -3.411 164 HD1 TYR 25 HD2 TYR 25 -9.476 2.713 -3.749 165 HD2 TYR 25 HD1 TYR 25 -9.446 -0.910 -5.981 166 HE1 TYR 25 HE2 TYR 25 -8.202 3.829 -5.533 167 HE2 TYR 25 HE1 TYR 25 -8.170 0.196 -7.770 168 HH TYR 25 HH TYR 25 -6.629 3.138 -7.379 169 H VAL 26 H VAL 26 -10.861 1.661 -1.115 170 HA VAL 26 HA VAL 26 -9.440 3.980 -1.427 171 HB VAL 26 HB VAL 26 -10.957 3.096 1.031 172 HG11 VAL 26 1HG1 VAL 26 -10.278 4.967 2.015 173 HG12 VAL 26 2HG1 VAL 26 -9.354 5.423 0.582 174 HG13 VAL 26 3HG1 VAL 26 -11.048 5.893 0.727 175 HG21 VAL 26 3HG2 VAL 26 -12.306 3.093 -0.997 176 HG22 VAL 26 1HG2 VAL 26 -12.790 4.412 0.069 177 HG23 VAL 26 2HG2 VAL 26 -11.801 4.744 -1.353 178 H SER 27 H SER 27 -8.745 1.306 0.711 179 HA SER 27 HA SER 27 -6.824 2.674 2.316 180 HB2 SER 27 1HB SER 27 -8.060 0.557 2.958 181 HB3 SER 27 2HB SER 27 -6.989 -0.309 1.856 182 HG SER 27 HG SER 27 -5.324 0.987 3.239 183 H LEU 28 H LEU 28 -6.691 0.798 -0.647 184 HA LEU 28 HA LEU 28 -3.884 0.489 -0.761 185 HB2 LEU 28 1HB LEU 28 -5.435 -0.855 -2.089 186 HB3 LEU 28 2HB LEU 28 -5.903 0.580 -2.999 187 HG LEU 28 HG LEU 28 -3.444 0.704 -3.707 188 HD11 LEU 28 1HD1 LEU 28 -2.755 -0.980 -1.947 189 HD12 LEU 28 2HD1 LEU 28 -2.124 -1.242 -3.573 190 HD13 LEU 28 3HD1 LEU 28 -3.474 -2.212 -2.985 191 HD21 LEU 28 3HD2 LEU 28 -5.011 0.157 -5.355 192 HD22 LEU 28 1HD2 LEU 28 -5.389 -1.396 -4.609 193 HD23 LEU 28 2HD2 LEU 28 -3.838 -1.160 -5.417 194 H ILE 29 H ILE 29 -5.990 2.714 -2.594 195 HA ILE 29 HA ILE 29 -4.098 4.231 -3.851 196 HB ILE 29 HB ILE 29 -6.613 4.465 -4.028 197 HG12 ILE 29 1HG1 ILE 29 -5.170 7.099 -3.717 198 HG13 ILE 29 2HG1 ILE 29 -4.870 6.001 -5.060 199 HG21 ILE 29 1HG2 ILE 29 -7.555 6.313 -2.575 200 HG22 ILE 29 2HG2 ILE 29 -7.277 4.762 -1.784 201 HG23 ILE 29 3HG2 ILE 29 -6.142 6.090 -1.543 202 HD11 ILE 29 3HD1 ILE 29 -6.420 7.782 -5.662 203 HD12 ILE 29 1HD1 ILE 29 -7.185 6.196 -5.757 204 HD13 ILE 29 2HD1 ILE 29 -7.520 7.257 -4.388 205 H GLU 30 H GLU 30 -5.007 4.319 -0.476 206 HA GLU 30 HA GLU 30 -3.623 6.761 0.109 207 HB2 GLU 30 1HB GLU 30 -4.968 4.634 1.725 208 HB3 GLU 30 2HB GLU 30 -3.885 5.760 2.531 209 HG2 GLU 30 1HG GLU 30 -5.283 7.588 1.377 210 HG3 GLU 30 2HG GLU 30 -6.471 6.308 1.135 211 H HIS 31 H HIS 31 -2.974 3.325 0.784 212 HA HIS 31 HA HIS 31 -0.561 3.542 2.081 213 HB2 HIS 31 1HB HIS 31 -1.331 1.369 2.006 214 HB3 HIS 31 2HB HIS 31 -1.757 1.465 0.300 215 HD1 HIS 31 HD1 HIS 31 1.286 1.106 2.521 216 HD2 HIS 31 HD2 HIS 31 0.122 0.459 -1.414 217 HE1 HIS 31 HE1 HIS 31 3.204 -0.113 1.444 218 H GLN 32 H GLN 32 -1.118 3.427 -1.425 219 HA GLN 32 HA GLN 32 1.449 3.376 -2.370 220 HB2 GLN 32 1HB GLN 32 -0.938 4.903 -3.408 221 HB3 GLN 32 2HB GLN 32 0.575 4.772 -4.295 222 HG2 GLN 32 1HG GLN 32 -0.721 2.272 -3.356 223 HG3 GLN 32 2HG GLN 32 -1.437 3.127 -4.721 224 HE21 GLN 32 1HE2 GLN 32 0.218 0.562 -4.259 225 HE22 GLN 32 2HE2 GLN 32 1.386 0.620 -5.530 226 H VAL 33 H VAL 33 -0.269 6.088 -0.955 227 HA VAL 33 HA VAL 33 1.451 8.164 -1.692 228 HB VAL 33 HB VAL 33 -0.166 7.874 0.844 229 HG11 VAL 33 1HG1 VAL 33 1.445 9.561 1.245 230 HG12 VAL 33 2HG1 VAL 33 1.241 10.241 -0.371 231 HG13 VAL 33 3HG1 VAL 33 -0.049 10.396 0.822 232 HG21 VAL 33 3HG2 VAL 33 -1.811 9.268 -0.331 233 HG22 VAL 33 1HG2 VAL 33 -0.802 9.228 -1.777 234 HG23 VAL 33 2HG2 VAL 33 -1.530 7.741 -1.168 235 H LEU 34 H LEU 34 1.563 5.956 1.074 236 HA LEU 34 HA LEU 34 3.601 7.084 2.545 237 HB2 LEU 34 1HB LEU 34 2.904 4.202 2.052 238 HB3 LEU 34 2HB LEU 34 4.156 4.694 3.191 239 HG LEU 34 HG LEU 34 1.338 5.700 3.437 240 HD11 LEU 34 1HD1 LEU 34 0.903 3.429 3.525 241 HD12 LEU 34 2HD1 LEU 34 1.202 3.828 5.216 242 HD13 LEU 34 3HD1 LEU 34 2.463 3.053 4.258 243 HD21 LEU 34 3HD2 LEU 34 3.548 6.509 4.694 244 HD22 LEU 34 1HD2 LEU 34 3.120 5.152 5.736 245 HD23 LEU 34 2HD2 LEU 34 1.968 6.462 5.477 246 H HIS 35 H HIS 35 3.790 5.257 -0.432 247 HA HIS 35 HA HIS 35 6.579 4.769 -0.390 248 HB2 HIS 35 1HB HIS 35 4.559 4.878 -2.627 249 HB3 HIS 35 2HB HIS 35 6.256 4.499 -2.905 250 HD1 HIS 35 HD1 HIS 35 6.800 2.598 -0.579 251 HD2 HIS 35 HD2 HIS 35 3.370 2.455 -2.919 252 HE1 HIS 35 HE1 HIS 35 5.928 0.250 -0.352 253 H MET 36 H MET 36 4.922 6.916 -2.693 254 HA MET 36 HA MET 36 7.073 8.393 -3.495 255 HB2 MET 36 1HB MET 36 5.506 10.167 -4.104 256 HB3 MET 36 2HB MET 36 4.845 8.587 -4.500 257 HG2 MET 36 1HG MET 36 3.429 8.646 -2.546 258 HG3 MET 36 2HG MET 36 4.145 10.175 -2.043 259 HE1 MET 36 3HE MET 36 3.303 12.011 -2.180 260 HE2 MET 36 1HE MET 36 2.998 12.813 -3.722 261 HE3 MET 36 2HE MET 36 1.646 12.297 -2.714 262 H GLY 37 H GLY 37 5.145 8.833 -0.576 263 HA2 GLY 37 1HA GLY 37 5.777 11.254 0.383 264 HA3 GLY 37 2HA GLY 37 5.805 9.832 1.415 265 H GLN 38 H GLN 38 8.030 8.521 0.318 266 HA GLN 38 HA GLN 38 10.122 9.571 1.767 267 HB2 GLN 38 1HB GLN 38 11.555 8.036 0.628 268 HB3 GLN 38 2HB GLN 38 9.983 7.265 0.785 269 HG2 GLN 38 1HG GLN 38 10.624 6.768 -1.384 270 HG3 GLN 38 2HG GLN 38 9.534 8.140 -1.579 271 HE21 GLN 38 1HE2 GLN 38 10.325 8.991 -3.419 272 HE22 GLN 38 2HE2 GLN 38 11.928 9.610 -3.599 273 H LYS 39 H LYS 39 11.887 10.862 1.334 274 HA LYS 39 HA LYS 39 11.865 12.307 -1.231 275 HB2 LYS 39 1HB LYS 39 10.972 13.520 0.938 276 HB3 LYS 39 2HB LYS 39 12.687 13.716 1.273 277 HG2 LYS 39 1HG LYS 39 12.814 14.668 -1.122 278 HG3 LYS 39 2HG LYS 39 11.064 14.844 -0.970 279 HD2 LYS 39 1HD LYS 39 12.807 15.865 1.222 280 HD3 LYS 39 2HD LYS 39 12.694 16.792 -0.276 281 HE2 LYS 39 1HE LYS 39 10.964 17.725 0.886 282 HE3 LYS 39 2HE LYS 39 10.108 16.404 0.093 283 HZ1 LYS 39 3HZ LYS 39 11.237 16.231 2.832 284 HZ2 LYS 39 1HZ LYS 39 10.228 15.107 2.070 285 HZ3 LYS 39 2HZ LYS 39 9.627 16.629 2.499 286 H ASN 40 H ASN 40 13.837 12.774 -2.123 287 HA ASN 40 HA ASN 40 16.204 11.817 -0.650 288 HB2 ASN 40 1HB ASN 40 15.383 10.373 -2.611 289 HB3 ASN 40 2HB ASN 40 15.942 11.682 -3.649 290 HD21 ASN 40 1HD2 ASN 40 16.864 9.113 -1.523 291 HD22 ASN 40 2HD2 ASN 40 18.552 9.133 -1.893 292 H SER 41 H SER 41 18.219 12.846 -1.193 293 HA SER 41 HA SER 41 19.567 14.630 -1.625 294 HB2 SER 41 1HB SER 41 18.529 14.383 -3.939 295 HB3 SER 41 2HB SER 41 17.424 15.678 -3.477 296 HG SER 41 HG SER 41 19.421 16.892 -2.979 297 H GLY 42 H GLY 42 17.996 14.734 0.634 298 HA2 GLY 42 1HA GLY 42 18.069 17.494 1.257 299 HA3 GLY 42 2HA GLY 42 16.406 16.994 0.986 300 HA PRO 43 HA PRO 43 17.872 14.361 4.751 301 HB2 PRO 43 1HB PRO 43 20.383 14.806 5.683 302 HB3 PRO 43 2HB PRO 43 20.020 13.607 4.437 303 HG2 PRO 43 1HG PRO 43 21.092 16.385 4.137 304 HG3 PRO 43 2HG PRO 43 21.592 14.898 3.311 305 HD2 PRO 43 1HD PRO 43 19.973 16.734 2.152 306 HD3 PRO 43 2HD PRO 43 19.847 14.997 1.807 307 H SER 44 H SER 44 18.049 14.836 7.059 308 HA SER 44 HA SER 44 17.687 17.708 7.587 309 HB2 SER 44 1HB SER 44 16.193 17.153 9.329 310 HB3 SER 44 2HB SER 44 15.788 16.031 8.030 311 HG SER 44 HG SER 44 17.274 15.528 10.385 312 H SER 45 H SER 45 19.270 18.696 8.630 313 HA SER 45 HA SER 45 21.602 17.620 9.539 314 HB2 SER 45 1HB SER 45 20.830 20.110 9.344 315 HB3 SER 45 2HB SER 45 20.407 19.925 11.046 316 HG SER 45 HG SER 45 22.767 20.460 10.063 317 H GLY 46 H GLY 46 21.563 15.791 10.755 318 HA2 GLY 46 1HA GLY 46 21.083 16.065 13.557 319 HA3 GLY 46 2HA GLY 46 19.838 15.095 12.786 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -15.732 -39.233 -11.063 2 HA2 GLY 1 1HA GLY 1 -17.351 -36.849 -10.471 3 HA3 GLY 1 2HA GLY 1 -15.894 -37.331 -9.616 4 H SER 2 H SER 2 -17.200 -35.505 -12.198 5 HA SER 2 HA SER 2 -15.021 -35.150 -13.877 6 HB2 SER 2 1HB SER 2 -16.045 -32.901 -14.379 7 HB3 SER 2 2HB SER 2 -17.162 -34.260 -14.505 8 HG SER 2 HG SER 2 -17.487 -33.598 -12.099 9 H SER 3 H SER 3 -13.121 -34.141 -13.720 10 HA SER 3 HA SER 3 -12.713 -32.078 -11.702 11 HB2 SER 3 1HB SER 3 -11.366 -34.753 -11.707 12 HB3 SER 3 2HB SER 3 -10.466 -33.338 -11.161 13 HG SER 3 HG SER 3 -12.472 -32.990 -9.810 14 H GLY 4 H GLY 4 -10.497 -31.078 -11.931 15 HA2 GLY 4 1HA GLY 4 -8.636 -31.268 -13.809 16 HA3 GLY 4 2HA GLY 4 -9.985 -30.693 -14.779 17 H SER 5 H SER 5 -11.088 -28.687 -13.865 18 HA SER 5 HA SER 5 -8.979 -26.773 -13.185 19 HB2 SER 5 1HB SER 5 -11.733 -26.457 -14.378 20 HB3 SER 5 2HB SER 5 -10.786 -25.079 -13.818 21 HG SER 5 HG SER 5 -9.759 -25.177 -15.635 22 H SER 6 H SER 6 -8.774 -26.996 -10.981 23 HA SER 6 HA SER 6 -11.104 -26.125 -9.406 24 HB2 SER 6 1HB SER 6 -9.090 -28.257 -8.654 25 HB3 SER 6 2HB SER 6 -10.316 -27.607 -7.565 26 HG SER 6 HG SER 6 -11.738 -28.848 -8.478 27 H GLY 7 H GLY 7 -10.669 -24.160 -8.655 28 HA2 GLY 7 1HA GLY 7 -8.279 -23.708 -7.098 29 HA3 GLY 7 2HA GLY 7 -8.337 -22.784 -8.592 30 H SER 8 H SER 8 -8.248 -21.612 -6.045 31 HA SER 8 HA SER 8 -10.859 -20.261 -6.016 32 HB2 SER 8 1HB SER 8 -9.284 -21.239 -3.630 33 HB3 SER 8 2HB SER 8 -10.575 -20.045 -3.504 34 HG SER 8 HG SER 8 -10.753 -22.740 -4.346 35 H ARG 9 H ARG 9 -10.593 -18.194 -6.495 36 HA ARG 9 HA ARG 9 -8.123 -16.848 -5.612 37 HB2 ARG 9 1HB ARG 9 -8.099 -15.547 -7.610 38 HB3 ARG 9 2HB ARG 9 -8.294 -17.227 -8.093 39 HG2 ARG 9 1HG ARG 9 -10.819 -16.687 -8.111 40 HG3 ARG 9 2HG ARG 9 -10.289 -15.004 -8.153 41 HD2 ARG 9 1HD ARG 9 -9.148 -16.991 -10.075 42 HD3 ARG 9 2HD ARG 9 -10.731 -16.278 -10.378 43 HE ARG 9 HE ARG 9 -8.936 -14.212 -9.813 44 HH11 ARG 9 1HH1 ARG 9 -9.515 -16.617 -12.263 45 HH12 ARG 9 2HH1 ARG 9 -8.833 -15.667 -13.541 46 HH21 ARG 9 1HH2 ARG 9 -8.035 -12.952 -11.488 47 HH22 ARG 9 2HH2 ARG 9 -7.991 -13.583 -13.099 48 H GLU 10 H GLU 10 -8.374 -14.447 -5.427 49 HA GLU 10 HA GLU 10 -11.094 -13.682 -4.612 50 HB2 GLU 10 1HB GLU 10 -8.550 -13.491 -3.040 51 HB3 GLU 10 2HB GLU 10 -9.823 -12.306 -2.786 52 HG2 GLU 10 1HG GLU 10 -11.325 -14.441 -2.541 53 HG3 GLU 10 2HG GLU 10 -9.785 -15.213 -2.166 54 H LYS 11 H LYS 11 -11.154 -11.216 -4.193 55 HA LYS 11 HA LYS 11 -9.791 -9.920 -6.455 56 HB2 LYS 11 1HB LYS 11 -12.450 -9.511 -5.148 57 HB3 LYS 11 2HB LYS 11 -11.678 -8.150 -5.951 58 HG2 LYS 11 1HG LYS 11 -13.112 -9.109 -7.543 59 HG3 LYS 11 2HG LYS 11 -11.486 -9.629 -7.992 60 HD2 LYS 11 1HD LYS 11 -12.703 -11.592 -8.172 61 HD3 LYS 11 2HD LYS 11 -12.030 -11.716 -6.545 62 HE2 LYS 11 1HE LYS 11 -14.249 -12.290 -6.216 63 HE3 LYS 11 2HE LYS 11 -14.235 -10.575 -5.812 64 HZ1 LYS 11 3HZ LYS 11 -15.153 -10.040 -7.923 65 HZ2 LYS 11 1HZ LYS 11 -16.102 -11.277 -7.267 66 HZ3 LYS 11 2HZ LYS 11 -14.980 -11.627 -8.483 67 H SER 12 H SER 12 -7.870 -9.570 -5.200 68 HA SER 12 HA SER 12 -8.144 -7.311 -3.329 69 HB2 SER 12 1HB SER 12 -6.083 -9.519 -3.134 70 HB3 SER 12 2HB SER 12 -6.307 -8.184 -2.005 71 HG SER 12 HG SER 12 -8.604 -9.189 -1.982 72 H HIS 13 H HIS 13 -6.190 -5.959 -3.167 73 HA HIS 13 HA HIS 13 -4.693 -5.911 -5.706 74 HB2 HIS 13 1HB HIS 13 -5.800 -3.625 -4.077 75 HB3 HIS 13 2HB HIS 13 -4.572 -3.399 -5.319 76 HD1 HIS 13 HD1 HIS 13 -5.458 -4.722 -7.714 77 HD2 HIS 13 HD2 HIS 13 -8.234 -3.092 -5.088 78 HE1 HIS 13 HE1 HIS 13 -7.548 -4.382 -9.071 79 H GLN 14 H GLN 14 -2.869 -6.955 -4.979 80 HA GLN 14 HA GLN 14 -1.570 -6.142 -2.533 81 HB2 GLN 14 1HB GLN 14 -1.614 -8.506 -3.543 82 HB3 GLN 14 2HB GLN 14 -0.375 -7.920 -4.645 83 HG2 GLN 14 1HG GLN 14 0.938 -7.248 -2.587 84 HG3 GLN 14 2HG GLN 14 -0.226 -8.196 -1.662 85 HE21 GLN 14 1HE2 GLN 14 2.328 -8.301 -4.026 86 HE22 GLN 14 2HE2 GLN 14 2.635 -9.997 -3.913 87 H CYS 15 H CYS 15 0.247 -4.918 -2.315 88 HA CYS 15 HA CYS 15 0.922 -3.197 -4.535 89 HB2 CYS 15 1HB CYS 15 0.811 -2.009 -2.532 90 HB3 CYS 15 2HB CYS 15 1.626 -3.276 -1.621 91 H ARG 16 H ARG 16 3.116 -2.818 -5.240 92 HA ARG 16 HA ARG 16 4.721 -5.283 -5.170 93 HB2 ARG 16 1HB ARG 16 3.774 -4.252 -7.373 94 HB3 ARG 16 2HB ARG 16 5.097 -3.106 -7.199 95 HG2 ARG 16 1HG ARG 16 5.975 -4.740 -8.586 96 HG3 ARG 16 2HG ARG 16 6.594 -5.185 -6.994 97 HD2 ARG 16 1HD ARG 16 4.686 -6.774 -6.775 98 HD3 ARG 16 2HD ARG 16 4.247 -6.402 -8.442 99 HE ARG 16 HE ARG 16 6.896 -7.163 -8.504 100 HH11 ARG 16 1HH1 ARG 16 3.866 -8.585 -7.546 101 HH12 ARG 16 2HH1 ARG 16 4.358 -10.203 -7.922 102 HH21 ARG 16 1HH2 ARG 16 7.555 -9.289 -9.003 103 HH22 ARG 16 2HH2 ARG 16 6.456 -10.603 -8.750 104 H GLU 17 H GLU 17 4.780 -1.828 -4.653 105 HA GLU 17 HA GLU 17 7.468 -1.269 -4.570 106 HB2 GLU 17 1HB GLU 17 5.349 0.210 -4.080 107 HB3 GLU 17 2HB GLU 17 5.710 -0.188 -2.406 108 HG2 GLU 17 1HG GLU 17 7.520 1.210 -4.359 109 HG3 GLU 17 2HG GLU 17 6.709 1.921 -2.964 110 H CYS 18 H CYS 18 5.481 -2.402 -1.835 111 HA CYS 18 HA CYS 18 7.960 -3.351 -0.555 112 HB2 CYS 18 1HB CYS 18 6.766 -3.084 1.609 113 HB3 CYS 18 2HB CYS 18 6.977 -1.563 0.749 114 H GLY 19 H GLY 19 4.516 -4.019 -1.060 115 HA2 GLY 19 1HA GLY 19 3.836 -6.240 -1.730 116 HA3 GLY 19 2HA GLY 19 5.132 -6.884 -0.733 117 H GLU 20 H GLU 20 1.928 -5.476 -0.728 118 HA GLU 20 HA GLU 20 1.421 -6.756 1.846 119 HB2 GLU 20 1HB GLU 20 2.067 -4.290 2.150 120 HB3 GLU 20 2HB GLU 20 0.526 -3.918 1.389 121 HG2 GLU 20 1HG GLU 20 0.110 -3.812 3.682 122 HG3 GLU 20 2HG GLU 20 -0.537 -5.372 3.176 123 H ILE 21 H ILE 21 -0.758 -7.266 2.220 124 HA ILE 21 HA ILE 21 -2.433 -7.150 -0.196 125 HB ILE 21 HB ILE 21 -2.576 -9.064 2.137 126 HG12 ILE 21 1HG1 ILE 21 -1.858 -9.688 -0.726 127 HG13 ILE 21 2HG1 ILE 21 -0.642 -9.273 0.477 128 HG21 ILE 21 1HG2 ILE 21 -4.717 -9.243 1.491 129 HG22 ILE 21 2HG2 ILE 21 -4.419 -8.456 -0.058 130 HG23 ILE 21 3HG2 ILE 21 -4.058 -10.170 0.144 131 HD11 ILE 21 3HD1 ILE 21 -2.526 -11.616 0.564 132 HD12 ILE 21 1HD1 ILE 21 -0.792 -11.660 0.247 133 HD13 ILE 21 2HD1 ILE 21 -1.386 -11.183 1.838 134 H PHE 22 H PHE 22 -4.353 -6.147 -0.165 135 HA PHE 22 HA PHE 22 -5.490 -5.367 2.430 136 HB2 PHE 22 1HB PHE 22 -5.434 -3.529 0.036 137 HB3 PHE 22 2HB PHE 22 -5.930 -3.140 1.680 138 HD1 PHE 22 HD1 PHE 22 -3.093 -3.713 -0.553 139 HD2 PHE 22 HD2 PHE 22 -4.300 -2.717 3.405 140 HE1 PHE 22 HE1 PHE 22 -0.804 -2.965 -0.047 141 HE2 PHE 22 HE2 PHE 22 -2.014 -1.966 3.917 142 HZ PHE 22 HZ PHE 22 -0.262 -2.088 2.190 143 H PHE 23 H PHE 23 -7.792 -4.676 2.245 144 HA PHE 23 HA PHE 23 -9.157 -6.304 0.208 145 HB2 PHE 23 1HB PHE 23 -11.102 -6.095 1.937 146 HB3 PHE 23 2HB PHE 23 -9.792 -7.232 2.241 147 HD1 PHE 23 HD2 PHE 23 -7.818 -6.329 3.674 148 HD2 PHE 23 HD1 PHE 23 -11.699 -4.584 3.569 149 HE1 PHE 23 HE2 PHE 23 -7.389 -5.253 5.845 150 HE2 PHE 23 HE1 PHE 23 -11.276 -3.504 5.740 151 HZ PHE 23 HZ PHE 23 -9.119 -3.840 6.881 152 H GLN 24 H GLN 24 -9.231 -3.220 1.928 153 HA GLN 24 HA GLN 24 -11.372 -2.227 0.234 154 HB2 GLN 24 1HB GLN 24 -9.869 -1.094 2.580 155 HB3 GLN 24 2HB GLN 24 -10.930 -0.090 1.601 156 HG2 GLN 24 1HG GLN 24 -12.635 -2.049 2.086 157 HG3 GLN 24 2HG GLN 24 -11.591 -2.278 3.488 158 HE21 GLN 24 1HE2 GLN 24 -13.667 -1.724 4.563 159 HE22 GLN 24 2HE2 GLN 24 -13.994 -0.055 4.864 160 H TYR 25 H TYR 25 -11.011 -1.276 -1.649 161 HA TYR 25 HA TYR 25 -8.576 -0.898 -2.852 162 HB2 TYR 25 1HB TYR 25 -10.539 -0.815 -4.195 163 HB3 TYR 25 2HB TYR 25 -11.196 0.537 -3.280 164 HD1 TYR 25 HD1 TYR 25 -8.389 -0.394 -5.540 165 HD2 TYR 25 HD2 TYR 25 -10.835 2.729 -4.001 166 HE1 TYR 25 HE1 TYR 25 -7.396 1.172 -7.156 167 HE2 TYR 25 HE2 TYR 25 -9.850 4.303 -5.614 168 HH TYR 25 HH TYR 25 -8.241 4.610 -7.139 169 H VAL 26 H VAL 26 -10.337 1.329 -0.773 170 HA VAL 26 HA VAL 26 -8.893 3.661 -1.196 171 HB VAL 26 HB VAL 26 -10.146 2.638 1.353 172 HG11 VAL 26 1HG1 VAL 26 -8.459 4.297 1.896 173 HG12 VAL 26 2HG1 VAL 26 -9.133 5.404 0.698 174 HG13 VAL 26 3HG1 VAL 26 -10.073 4.970 2.127 175 HG21 VAL 26 3HG2 VAL 26 -12.072 3.181 0.388 176 HG22 VAL 26 1HG2 VAL 26 -11.513 4.847 0.233 177 HG23 VAL 26 2HG2 VAL 26 -11.219 3.693 -1.068 178 H SER 27 H SER 27 -8.104 0.841 0.742 179 HA SER 27 HA SER 27 -5.949 1.940 2.183 180 HB2 SER 27 1HB SER 27 -6.710 -0.870 1.420 181 HB3 SER 27 2HB SER 27 -5.211 -0.539 2.287 182 HG SER 27 HG SER 27 -7.842 -0.377 3.151 183 H LEU 28 H LEU 28 -6.206 0.635 -1.045 184 HA LEU 28 HA LEU 28 -3.384 0.412 -1.483 185 HB2 LEU 28 1HB LEU 28 -4.916 -0.967 -2.738 186 HB3 LEU 28 2HB LEU 28 -5.716 0.461 -3.392 187 HG LEU 28 HG LEU 28 -3.475 1.005 -4.488 188 HD11 LEU 28 1HD1 LEU 28 -2.063 -0.478 -3.209 189 HD12 LEU 28 2HD1 LEU 28 -2.033 -0.950 -4.908 190 HD13 LEU 28 3HD1 LEU 28 -2.989 -1.878 -3.753 191 HD21 LEU 28 3HD2 LEU 28 -4.565 0.297 -6.284 192 HD22 LEU 28 1HD2 LEU 28 -5.629 -0.666 -5.257 193 HD23 LEU 28 2HD2 LEU 28 -4.145 -1.373 -5.898 194 H ILE 29 H ILE 29 -5.812 2.558 -2.981 195 HA ILE 29 HA ILE 29 -4.111 4.312 -4.231 196 HB ILE 29 HB ILE 29 -6.647 4.283 -4.329 197 HG12 ILE 29 1HG1 ILE 29 -5.409 7.018 -3.971 198 HG13 ILE 29 2HG1 ILE 29 -5.144 6.007 -5.387 199 HG21 ILE 29 1HG2 ILE 29 -6.639 4.651 -1.712 200 HG22 ILE 29 2HG2 ILE 29 -6.656 6.347 -2.192 201 HG23 ILE 29 3HG2 ILE 29 -7.942 5.267 -2.727 202 HD11 ILE 29 3HD1 ILE 29 -6.914 6.997 -6.274 203 HD12 ILE 29 1HD1 ILE 29 -7.896 6.092 -5.123 204 HD13 ILE 29 2HD1 ILE 29 -7.365 7.728 -4.734 205 H GLU 30 H GLU 30 -4.992 4.185 -0.840 206 HA GLU 30 HA GLU 30 -3.651 6.681 -0.237 207 HB2 GLU 30 1HB GLU 30 -4.872 4.611 1.597 208 HB3 GLU 30 2HB GLU 30 -4.267 6.183 2.099 209 HG2 GLU 30 1HG GLU 30 -6.354 6.053 -0.018 210 HG3 GLU 30 2HG GLU 30 -6.816 5.789 1.662 211 H HIS 31 H HIS 31 -3.015 3.252 -0.069 212 HA HIS 31 HA HIS 31 -0.749 3.386 1.632 213 HB2 HIS 31 1HB HIS 31 -1.738 1.261 1.454 214 HB3 HIS 31 2HB HIS 31 -1.782 1.330 -0.306 215 HD1 HIS 31 HD1 HIS 31 0.925 1.320 2.380 216 HD2 HIS 31 HD2 HIS 31 0.144 -0.198 -1.408 217 HE1 HIS 31 HE1 HIS 31 2.918 -0.101 1.801 218 H GLN 32 H GLN 32 -1.211 3.700 -1.827 219 HA GLN 32 HA GLN 32 1.527 3.504 -2.552 220 HB2 GLN 32 1HB GLN 32 -0.797 4.810 -3.978 221 HB3 GLN 32 2HB GLN 32 0.789 4.540 -4.690 222 HG2 GLN 32 1HG GLN 32 -0.790 2.264 -3.565 223 HG3 GLN 32 2HG GLN 32 -1.105 2.875 -5.188 224 HE21 GLN 32 1HE2 GLN 32 -0.246 1.520 -6.587 225 HE22 GLN 32 2HE2 GLN 32 1.339 0.837 -6.500 226 H VAL 33 H VAL 33 -0.459 6.070 -1.325 227 HA VAL 33 HA VAL 33 1.122 8.264 -2.156 228 HB VAL 33 HB VAL 33 -0.710 8.028 0.236 229 HG11 VAL 33 1HG1 VAL 33 -0.594 10.319 0.527 230 HG12 VAL 33 2HG1 VAL 33 1.076 9.914 0.126 231 HG13 VAL 33 3HG1 VAL 33 0.014 10.600 -1.104 232 HG21 VAL 33 3HG2 VAL 33 -2.047 9.547 -1.532 233 HG22 VAL 33 1HG2 VAL 33 -1.150 8.511 -2.643 234 HG23 VAL 33 2HG2 VAL 33 -2.217 7.794 -1.435 235 H LEU 34 H LEU 34 0.977 6.512 0.943 236 HA LEU 34 HA LEU 34 2.839 7.870 2.401 237 HB2 LEU 34 1HB LEU 34 2.516 4.876 2.262 238 HB3 LEU 34 2HB LEU 34 3.324 5.758 3.557 239 HG LEU 34 HG LEU 34 0.402 6.057 2.872 240 HD11 LEU 34 1HD1 LEU 34 0.008 4.161 3.945 241 HD12 LEU 34 2HD1 LEU 34 0.790 4.818 5.382 242 HD13 LEU 34 3HD1 LEU 34 1.737 3.920 4.196 243 HD21 LEU 34 3HD2 LEU 34 1.396 6.722 5.547 244 HD22 LEU 34 1HD2 LEU 34 0.276 7.594 4.499 245 HD23 LEU 34 2HD2 LEU 34 2.016 7.756 4.260 246 H HIS 35 H HIS 35 3.533 5.176 0.176 247 HA HIS 35 HA HIS 35 6.223 4.928 0.412 248 HB2 HIS 35 1HB HIS 35 4.469 4.826 -2.030 249 HB3 HIS 35 2HB HIS 35 6.201 4.525 -2.143 250 HD1 HIS 35 HD1 HIS 35 6.886 2.665 -0.020 251 HD2 HIS 35 HD2 HIS 35 3.184 2.466 -1.895 252 HE1 HIS 35 HE1 HIS 35 6.054 0.326 0.382 253 H MET 36 H MET 36 4.513 7.459 -1.367 254 HA MET 36 HA MET 36 6.987 8.709 -2.202 255 HB2 MET 36 1HB MET 36 4.124 9.639 -2.483 256 HB3 MET 36 2HB MET 36 5.520 10.397 -3.236 257 HG2 MET 36 1HG MET 36 4.839 7.525 -3.737 258 HG3 MET 36 2HG MET 36 4.086 8.830 -4.651 259 HE1 MET 36 3HE MET 36 5.653 6.384 -5.672 260 HE2 MET 36 1HE MET 36 5.337 7.486 -7.012 261 HE3 MET 36 2HE MET 36 6.970 6.880 -6.736 262 H GLY 37 H GLY 37 6.795 8.482 0.584 263 HA2 GLY 37 1HA GLY 37 6.187 11.224 1.470 264 HA3 GLY 37 2HA GLY 37 6.317 9.823 2.522 265 H GLN 38 H GLN 38 7.673 11.656 3.577 266 HA GLN 38 HA GLN 38 10.448 11.417 2.615 267 HB2 GLN 38 1HB GLN 38 9.501 13.723 2.561 268 HB3 GLN 38 2HB GLN 38 9.280 13.635 4.303 269 HG2 GLN 38 1HG GLN 38 11.637 13.496 4.664 270 HG3 GLN 38 2HG GLN 38 11.941 13.346 2.934 271 HE21 GLN 38 1HE2 GLN 38 12.755 15.337 5.036 272 HE22 GLN 38 2HE2 GLN 38 12.346 16.872 4.355 273 H LYS 39 H LYS 39 10.967 9.567 3.763 274 HA LYS 39 HA LYS 39 11.070 9.906 6.688 275 HB2 LYS 39 1HB LYS 39 10.486 7.396 5.111 276 HB3 LYS 39 2HB LYS 39 10.870 7.400 6.828 277 HG2 LYS 39 1HG LYS 39 8.596 9.010 5.721 278 HG3 LYS 39 2HG LYS 39 8.412 7.309 6.157 279 HD2 LYS 39 1HD LYS 39 9.657 9.145 8.140 280 HD3 LYS 39 2HD LYS 39 7.913 9.250 7.886 281 HE2 LYS 39 1HE LYS 39 9.320 6.648 8.434 282 HE3 LYS 39 2HE LYS 39 8.711 7.686 9.722 283 HZ1 LYS 39 3HZ LYS 39 7.234 6.085 7.772 284 HZ2 LYS 39 1HZ LYS 39 6.540 7.544 8.273 285 HZ3 LYS 39 2HZ LYS 39 6.917 6.352 9.412 286 H ASN 40 H ASN 40 13.146 10.369 7.089 287 HA ASN 40 HA ASN 40 15.297 9.283 5.527 288 HB2 ASN 40 1HB ASN 40 15.274 11.572 6.627 289 HB3 ASN 40 2HB ASN 40 15.533 10.744 8.159 290 HD21 ASN 40 1HD2 ASN 40 16.882 11.293 4.962 291 HD22 ASN 40 2HD2 ASN 40 18.529 11.021 5.408 292 H SER 41 H SER 41 14.511 9.067 9.003 293 HA SER 41 HA SER 41 16.225 6.762 9.307 294 HB2 SER 41 1HB SER 41 15.475 6.840 11.682 295 HB3 SER 41 2HB SER 41 16.135 8.376 11.119 296 HG SER 41 HG SER 41 13.828 8.019 12.241 297 H GLY 42 H GLY 42 15.243 4.895 10.691 298 HA2 GLY 42 1HA GLY 42 12.531 4.229 9.792 299 HA3 GLY 42 2HA GLY 42 13.842 3.140 9.362 300 HA PRO 43 HA PRO 43 12.088 2.468 13.785 301 HB2 PRO 43 1HB PRO 43 10.183 0.600 13.284 302 HB3 PRO 43 2HB PRO 43 9.840 2.333 13.331 303 HG2 PRO 43 1HG PRO 43 10.291 0.554 10.966 304 HG3 PRO 43 2HG PRO 43 9.077 1.826 11.194 305 HD2 PRO 43 1HD PRO 43 11.342 2.215 9.763 306 HD3 PRO 43 2HD PRO 43 10.566 3.512 10.693 307 H SER 44 H SER 44 14.203 1.518 13.910 308 HA SER 44 HA SER 44 14.485 -1.239 13.006 309 HB2 SER 44 1HB SER 44 16.352 0.357 12.665 310 HB3 SER 44 2HB SER 44 16.488 0.545 14.413 311 HG SER 44 HG SER 44 16.619 -1.965 14.175 312 H SER 45 H SER 45 13.127 -2.381 14.370 313 HA SER 45 HA SER 45 13.386 -2.115 17.241 314 HB2 SER 45 1HB SER 45 11.247 -2.699 15.801 315 HB3 SER 45 2HB SER 45 11.853 -4.346 15.968 316 HG SER 45 HG SER 45 12.018 -3.518 18.346 317 H GLY 46 H GLY 46 14.625 -3.323 18.533 318 HA2 GLY 46 1HA GLY 46 16.033 -5.611 17.310 319 HA3 GLY 46 2HA GLY 46 16.685 -4.612 18.601 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -10.161 -26.558 -26.248 2 HA2 GLY 1 1HA GLY 1 -7.395 -26.265 -27.167 3 HA3 GLY 1 2HA GLY 1 -8.545 -25.019 -27.627 4 H SER 2 H SER 2 -8.156 -23.271 -26.444 5 HA SER 2 HA SER 2 -6.906 -23.285 -23.920 6 HB2 SER 2 1HB SER 2 -8.621 -21.089 -25.103 7 HB3 SER 2 2HB SER 2 -7.396 -20.909 -23.847 8 HG SER 2 HG SER 2 -6.909 -20.495 -26.253 9 H SER 3 H SER 3 -7.673 -23.493 -21.913 10 HA SER 3 HA SER 3 -10.482 -24.100 -21.557 11 HB2 SER 3 1HB SER 3 -8.664 -25.440 -20.467 12 HB3 SER 3 2HB SER 3 -8.291 -24.035 -19.469 13 HG SER 3 HG SER 3 -9.731 -25.553 -18.463 14 H GLY 4 H GLY 4 -11.947 -22.614 -21.071 15 HA2 GLY 4 1HA GLY 4 -11.046 -20.071 -19.904 16 HA3 GLY 4 2HA GLY 4 -12.551 -20.320 -20.776 17 H SER 5 H SER 5 -10.897 -21.524 -17.855 18 HA SER 5 HA SER 5 -13.166 -20.837 -16.222 19 HB2 SER 5 1HB SER 5 -13.880 -23.009 -17.170 20 HB3 SER 5 2HB SER 5 -12.417 -23.755 -16.529 21 HG SER 5 HG SER 5 -13.356 -22.672 -14.456 22 H SER 6 H SER 6 -12.695 -20.824 -14.017 23 HA SER 6 HA SER 6 -11.298 -20.368 -12.265 24 HB2 SER 6 1HB SER 6 -10.077 -22.996 -13.146 25 HB3 SER 6 2HB SER 6 -9.941 -22.272 -11.543 26 HG SER 6 HG SER 6 -11.896 -22.925 -11.077 27 H GLY 7 H GLY 7 -10.510 -18.978 -14.516 28 HA2 GLY 7 1HA GLY 7 -7.565 -19.181 -14.434 29 HA3 GLY 7 2HA GLY 7 -8.473 -18.558 -15.803 30 H SER 8 H SER 8 -8.903 -17.834 -12.364 31 HA SER 8 HA SER 8 -7.605 -15.297 -12.503 32 HB2 SER 8 1HB SER 8 -9.604 -13.885 -12.244 33 HB3 SER 8 2HB SER 8 -9.626 -14.739 -13.787 34 HG SER 8 HG SER 8 -11.401 -14.837 -11.762 35 H ARG 9 H ARG 9 -6.718 -15.262 -10.552 36 HA ARG 9 HA ARG 9 -8.392 -15.988 -8.238 37 HB2 ARG 9 1HB ARG 9 -6.396 -17.521 -8.898 38 HB3 ARG 9 2HB ARG 9 -5.401 -16.241 -8.217 39 HG2 ARG 9 1HG ARG 9 -5.695 -17.787 -6.485 40 HG3 ARG 9 2HG ARG 9 -6.807 -16.466 -6.117 41 HD2 ARG 9 1HD ARG 9 -8.498 -17.935 -7.485 42 HD3 ARG 9 2HD ARG 9 -7.384 -19.235 -7.063 43 HE ARG 9 HE ARG 9 -7.835 -18.053 -4.686 44 HH11 ARG 9 1HH1 ARG 9 -9.962 -19.203 -7.192 45 HH12 ARG 9 2HH1 ARG 9 -11.248 -19.596 -6.100 46 HH21 ARG 9 1HH2 ARG 9 -9.522 -18.567 -3.239 47 HH22 ARG 9 2HH2 ARG 9 -10.997 -19.233 -3.852 48 H GLU 10 H GLU 10 -8.398 -13.406 -9.189 49 HA GLU 10 HA GLU 10 -6.708 -11.968 -7.250 50 HB2 GLU 10 1HB GLU 10 -7.582 -11.324 -10.020 51 HB3 GLU 10 2HB GLU 10 -7.454 -9.989 -8.883 52 HG2 GLU 10 1HG GLU 10 -5.120 -10.679 -8.415 53 HG3 GLU 10 2HG GLU 10 -5.271 -11.900 -9.678 54 H LYS 11 H LYS 11 -7.831 -11.442 -5.501 55 HA LYS 11 HA LYS 11 -10.552 -10.374 -5.857 56 HB2 LYS 11 1HB LYS 11 -11.141 -11.391 -3.664 57 HB3 LYS 11 2HB LYS 11 -10.788 -12.578 -4.913 58 HG2 LYS 11 1HG LYS 11 -8.763 -13.180 -3.947 59 HG3 LYS 11 2HG LYS 11 -8.666 -11.695 -2.997 60 HD2 LYS 11 1HD LYS 11 -10.833 -12.588 -1.870 61 HD3 LYS 11 2HD LYS 11 -10.319 -14.145 -2.524 62 HE2 LYS 11 1HE LYS 11 -8.516 -12.394 -0.870 63 HE3 LYS 11 2HE LYS 11 -9.579 -13.607 -0.159 64 HZ1 LYS 11 3HZ LYS 11 -7.062 -13.953 -1.434 65 HZ2 LYS 11 1HZ LYS 11 -8.246 -14.905 -2.179 66 HZ3 LYS 11 2HZ LYS 11 -7.959 -15.058 -0.519 67 H SER 12 H SER 12 -7.516 -10.289 -4.129 68 HA SER 12 HA SER 12 -8.390 -7.903 -2.658 69 HB2 SER 12 1HB SER 12 -5.855 -9.507 -2.264 70 HB3 SER 12 2HB SER 12 -6.499 -8.260 -1.197 71 HG SER 12 HG SER 12 -7.332 -10.898 -1.569 72 H HIS 13 H HIS 13 -6.402 -6.349 -2.285 73 HA HIS 13 HA HIS 13 -5.269 -5.778 -4.944 74 HB2 HIS 13 1HB HIS 13 -6.291 -3.964 -2.778 75 HB3 HIS 13 2HB HIS 13 -5.137 -3.376 -3.972 76 HD1 HIS 13 HD1 HIS 13 -6.075 -4.172 -6.581 77 HD2 HIS 13 HD2 HIS 13 -8.787 -3.326 -3.549 78 HE1 HIS 13 HE1 HIS 13 -8.241 -3.641 -7.745 79 H GLN 14 H GLN 14 -3.457 -7.148 -4.401 80 HA GLN 14 HA GLN 14 -1.764 -6.526 -2.186 81 HB2 GLN 14 1HB GLN 14 -1.971 -8.762 -3.426 82 HB3 GLN 14 2HB GLN 14 -0.926 -8.046 -4.646 83 HG2 GLN 14 1HG GLN 14 0.867 -7.833 -3.122 84 HG3 GLN 14 2HG GLN 14 -0.171 -8.197 -1.744 85 HE21 GLN 14 1HE2 GLN 14 -0.190 -10.209 -1.033 86 HE22 GLN 14 2HE2 GLN 14 0.381 -11.593 -1.894 87 H CYS 15 H CYS 15 0.358 -5.647 -2.265 88 HA CYS 15 HA CYS 15 0.697 -3.686 -4.431 89 HB2 CYS 15 1HB CYS 15 0.537 -2.532 -2.376 90 HB3 CYS 15 2HB CYS 15 1.563 -3.698 -1.547 91 H ARG 16 H ARG 16 2.773 -3.328 -5.322 92 HA ARG 16 HA ARG 16 4.539 -5.672 -5.119 93 HB2 ARG 16 1HB ARG 16 3.573 -5.287 -7.345 94 HB3 ARG 16 2HB ARG 16 4.255 -3.666 -7.364 95 HG2 ARG 16 1HG ARG 16 6.511 -4.627 -7.279 96 HG3 ARG 16 2HG ARG 16 5.807 -6.246 -7.307 97 HD2 ARG 16 1HD ARG 16 5.160 -6.074 -9.503 98 HD3 ARG 16 2HD ARG 16 5.045 -4.315 -9.442 99 HE ARG 16 HE ARG 16 7.687 -4.742 -9.150 100 HH11 ARG 16 1HH1 ARG 16 5.347 -5.914 -11.446 101 HH12 ARG 16 2HH1 ARG 16 6.493 -6.056 -12.738 102 HH21 ARG 16 1HH2 ARG 16 9.205 -4.925 -10.843 103 HH22 ARG 16 2HH2 ARG 16 8.687 -5.494 -12.394 104 H GLU 17 H GLU 17 4.396 -2.187 -4.935 105 HA GLU 17 HA GLU 17 7.029 -1.441 -5.086 106 HB2 GLU 17 1HB GLU 17 4.968 -0.422 -3.123 107 HB3 GLU 17 2HB GLU 17 6.467 0.399 -3.536 108 HG2 GLU 17 1HG GLU 17 4.512 -0.311 -5.677 109 HG3 GLU 17 2HG GLU 17 4.250 1.110 -4.668 110 H CYS 18 H CYS 18 5.332 -2.726 -2.245 111 HA CYS 18 HA CYS 18 7.956 -3.375 -1.082 112 HB2 CYS 18 1HB CYS 18 6.983 -2.923 1.166 113 HB3 CYS 18 2HB CYS 18 7.098 -1.486 0.156 114 H GLY 19 H GLY 19 4.477 -4.092 -1.062 115 HA2 GLY 19 1HA GLY 19 3.879 -6.441 -1.533 116 HA3 GLY 19 2HA GLY 19 5.175 -6.895 -0.436 117 H GLU 20 H GLU 20 2.026 -5.297 -0.609 118 HA GLU 20 HA GLU 20 1.480 -6.269 2.105 119 HB2 GLU 20 1HB GLU 20 2.082 -3.714 1.851 120 HB3 GLU 20 2HB GLU 20 0.419 -3.596 1.292 121 HG2 GLU 20 1HG GLU 20 0.559 -3.103 3.652 122 HG3 GLU 20 2HG GLU 20 -0.357 -4.585 3.386 123 H ILE 21 H ILE 21 -0.753 -6.596 2.578 124 HA ILE 21 HA ILE 21 -2.449 -6.786 0.174 125 HB ILE 21 HB ILE 21 -2.398 -8.645 2.554 126 HG12 ILE 21 1HG1 ILE 21 -1.782 -9.256 -0.339 127 HG13 ILE 21 2HG1 ILE 21 -0.542 -8.847 0.841 128 HG21 ILE 21 1HG2 ILE 21 -4.354 -8.217 0.388 129 HG22 ILE 21 2HG2 ILE 21 -3.949 -9.893 0.751 130 HG23 ILE 21 3HG2 ILE 21 -4.584 -8.845 2.019 131 HD11 ILE 21 3HD1 ILE 21 -1.501 -11.366 0.256 132 HD12 ILE 21 1HD1 ILE 21 -0.516 -10.911 1.647 133 HD13 ILE 21 2HD1 ILE 21 -2.274 -10.958 1.788 134 H PHE 22 H PHE 22 -4.587 -6.193 0.337 135 HA PHE 22 HA PHE 22 -5.622 -5.326 2.922 136 HB2 PHE 22 1HB PHE 22 -5.533 -3.487 0.520 137 HB3 PHE 22 2HB PHE 22 -6.285 -3.128 2.072 138 HD1 PHE 22 HD2 PHE 22 -4.802 -3.020 4.122 139 HD2 PHE 22 HD1 PHE 22 -3.275 -3.045 0.149 140 HE1 PHE 22 HE2 PHE 22 -2.674 -2.092 4.938 141 HE2 PHE 22 HE1 PHE 22 -1.144 -2.118 0.958 142 HZ PHE 22 HZ PHE 22 -0.842 -1.639 3.355 143 H PHE 23 H PHE 23 -7.959 -4.721 2.770 144 HA PHE 23 HA PHE 23 -9.295 -6.221 0.614 145 HB2 PHE 23 1HB PHE 23 -10.318 -6.020 3.447 146 HB3 PHE 23 2HB PHE 23 -10.901 -7.073 2.163 147 HD1 PHE 23 HD2 PHE 23 -9.665 -9.068 1.530 148 HD2 PHE 23 HD1 PHE 23 -8.343 -6.559 4.704 149 HE1 PHE 23 HE2 PHE 23 -8.159 -10.851 2.307 150 HE2 PHE 23 HE1 PHE 23 -6.834 -8.338 5.486 151 HZ PHE 23 HZ PHE 23 -6.741 -10.488 4.288 152 H GLN 24 H GLN 24 -8.707 -3.384 0.736 153 HA GLN 24 HA GLN 24 -11.428 -2.401 0.386 154 HB2 GLN 24 1HB GLN 24 -9.401 -1.062 2.182 155 HB3 GLN 24 2HB GLN 24 -10.900 -0.316 1.646 156 HG2 GLN 24 1HG GLN 24 -11.504 -1.087 3.710 157 HG3 GLN 24 2HG GLN 24 -11.996 -2.437 2.689 158 HE21 GLN 24 1HE2 GLN 24 -11.856 -3.875 4.417 159 HE22 GLN 24 2HE2 GLN 24 -10.337 -4.418 5.035 160 H TYR 25 H TYR 25 -11.189 0.063 -0.356 161 HA TYR 25 HA TYR 25 -9.301 -0.022 -2.598 162 HB2 TYR 25 1HB TYR 25 -11.687 0.273 -3.144 163 HB3 TYR 25 2HB TYR 25 -11.724 1.741 -2.174 164 HD1 TYR 25 HD1 TYR 25 -9.653 0.306 -4.944 165 HD2 TYR 25 HD2 TYR 25 -11.626 3.719 -3.343 166 HE1 TYR 25 HE1 TYR 25 -8.973 1.615 -6.912 167 HE2 TYR 25 HE2 TYR 25 -10.952 5.037 -5.307 168 HH TYR 25 HH TYR 25 -9.570 5.076 -7.112 169 H VAL 26 H VAL 26 -10.421 2.090 0.014 170 HA VAL 26 HA VAL 26 -8.700 4.258 -0.571 171 HB VAL 26 HB VAL 26 -9.934 3.482 2.076 172 HG11 VAL 26 1HG1 VAL 26 -8.565 5.986 1.133 173 HG12 VAL 26 2HG1 VAL 26 -9.681 5.977 2.500 174 HG13 VAL 26 3HG1 VAL 26 -8.207 5.008 2.556 175 HG21 VAL 26 3HG2 VAL 26 -10.962 4.874 -0.326 176 HG22 VAL 26 1HG2 VAL 26 -11.806 3.872 0.854 177 HG23 VAL 26 2HG2 VAL 26 -11.410 5.547 1.241 178 H SER 27 H SER 27 -8.326 1.342 1.345 179 HA SER 27 HA SER 27 -6.014 2.046 2.764 180 HB2 SER 27 1HB SER 27 -7.285 0.079 3.379 181 HB3 SER 27 2HB SER 27 -6.970 -0.663 1.811 182 HG SER 27 HG SER 27 -5.545 -0.946 3.959 183 H LEU 28 H LEU 28 -6.454 0.721 -0.468 184 HA LEU 28 HA LEU 28 -3.628 0.378 -0.912 185 HB2 LEU 28 1HB LEU 28 -5.282 -1.084 -1.975 186 HB3 LEU 28 2HB LEU 28 -5.939 0.299 -2.847 187 HG LEU 28 HG LEU 28 -3.552 0.501 -3.836 188 HD11 LEU 28 1HD1 LEU 28 -2.744 -2.013 -4.064 189 HD12 LEU 28 2HD1 LEU 28 -3.478 -2.128 -2.466 190 HD13 LEU 28 3HD1 LEU 28 -2.187 -0.964 -2.761 191 HD21 LEU 28 3HD2 LEU 28 -5.245 0.003 -5.336 192 HD22 LEU 28 1HD2 LEU 28 -5.652 -1.513 -4.532 193 HD23 LEU 28 2HD2 LEU 28 -4.176 -1.392 -5.490 194 H ILE 29 H ILE 29 -6.052 2.324 -2.663 195 HA ILE 29 HA ILE 29 -4.462 3.941 -4.129 196 HB ILE 29 HB ILE 29 -6.986 4.015 -3.991 197 HG12 ILE 29 1HG1 ILE 29 -5.708 6.748 -3.929 198 HG13 ILE 29 2HG1 ILE 29 -5.483 5.627 -5.267 199 HG21 ILE 29 1HG2 ILE 29 -6.925 4.439 -1.481 200 HG22 ILE 29 2HG2 ILE 29 -6.563 6.115 -1.888 201 HG23 ILE 29 3HG2 ILE 29 -8.075 5.384 -2.425 202 HD11 ILE 29 3HD1 ILE 29 -8.277 5.989 -4.581 203 HD12 ILE 29 1HD1 ILE 29 -7.480 7.498 -5.025 204 HD13 ILE 29 2HD1 ILE 29 -7.462 6.129 -6.138 205 H GLU 30 H GLU 30 -5.039 4.200 -0.671 206 HA GLU 30 HA GLU 30 -3.584 6.678 -0.427 207 HB2 GLU 30 1HB GLU 30 -5.438 6.203 1.090 208 HB3 GLU 30 2HB GLU 30 -4.612 4.766 1.676 209 HG2 GLU 30 1HG GLU 30 -2.725 6.413 2.322 210 HG3 GLU 30 2HG GLU 30 -3.981 7.641 2.174 211 H HIS 31 H HIS 31 -3.039 3.285 0.471 212 HA HIS 31 HA HIS 31 -0.600 3.485 1.722 213 HB2 HIS 31 1HB HIS 31 -1.591 1.355 1.714 214 HB3 HIS 31 2HB HIS 31 -1.774 1.347 -0.038 215 HD1 HIS 31 HD1 HIS 31 0.700 0.670 2.673 216 HD2 HIS 31 HD2 HIS 31 0.500 0.551 -1.475 217 HE1 HIS 31 HE1 HIS 31 2.754 -0.580 1.936 218 H GLN 32 H GLN 32 -1.277 3.440 -1.742 219 HA GLN 32 HA GLN 32 1.357 3.241 -2.668 220 HB2 GLN 32 1HB GLN 32 -1.064 4.565 -3.896 221 HB3 GLN 32 2HB GLN 32 0.458 4.334 -4.747 222 HG2 GLN 32 1HG GLN 32 -1.428 2.227 -3.738 223 HG3 GLN 32 2HG GLN 32 -0.991 2.587 -5.407 224 HE21 GLN 32 1HE2 GLN 32 -0.824 0.053 -4.127 225 HE22 GLN 32 2HE2 GLN 32 0.838 -0.417 -4.122 226 H VAL 33 H VAL 33 -0.605 6.086 -1.877 227 HA VAL 33 HA VAL 33 1.057 8.110 -2.718 228 HB VAL 33 HB VAL 33 -0.605 8.048 -0.196 229 HG11 VAL 33 1HG1 VAL 33 0.652 10.349 -1.681 230 HG12 VAL 33 2HG1 VAL 33 -0.600 10.533 -0.451 231 HG13 VAL 33 3HG1 VAL 33 0.966 9.844 -0.021 232 HG21 VAL 33 3HG2 VAL 33 -1.226 8.978 -2.997 233 HG22 VAL 33 1HG2 VAL 33 -1.949 7.613 -2.145 234 HG23 VAL 33 2HG2 VAL 33 -2.258 9.260 -1.595 235 H LEU 34 H LEU 34 1.147 6.409 0.402 236 HA LEU 34 HA LEU 34 3.122 7.787 1.699 237 HB2 LEU 34 1HB LEU 34 2.490 4.855 1.632 238 HB3 LEU 34 2HB LEU 34 3.772 5.498 2.655 239 HG LEU 34 HG LEU 34 0.883 6.347 2.821 240 HD11 LEU 34 1HD1 LEU 34 0.489 4.436 3.876 241 HD12 LEU 34 2HD1 LEU 34 1.620 4.954 5.126 242 HD13 LEU 34 3HD1 LEU 34 2.187 3.968 3.778 243 HD21 LEU 34 3HD2 LEU 34 3.095 7.665 3.701 244 HD22 LEU 34 1HD2 LEU 34 2.686 6.681 5.107 245 HD23 LEU 34 2HD2 LEU 34 1.492 7.788 4.428 246 H HIS 35 H HIS 35 3.633 5.023 -0.493 247 HA HIS 35 HA HIS 35 6.354 4.836 -0.462 248 HB2 HIS 35 1HB HIS 35 4.386 4.492 -2.711 249 HB3 HIS 35 2HB HIS 35 6.109 4.224 -2.962 250 HD1 HIS 35 HD1 HIS 35 6.903 2.676 -0.509 251 HD2 HIS 35 HD2 HIS 35 3.337 2.007 -2.535 252 HE1 HIS 35 HE1 HIS 35 6.221 0.330 0.086 253 H MET 36 H MET 36 4.621 6.723 -2.949 254 HA MET 36 HA MET 36 6.979 8.152 -3.689 255 HB2 MET 36 1HB MET 36 5.477 9.449 -5.141 256 HB3 MET 36 2HB MET 36 5.215 7.719 -5.316 257 HG2 MET 36 1HG MET 36 3.064 8.462 -5.229 258 HG3 MET 36 2HG MET 36 3.356 8.125 -3.524 259 HE1 MET 36 3HE MET 36 1.470 10.073 -5.517 260 HE2 MET 36 1HE MET 36 0.875 10.067 -3.856 261 HE3 MET 36 2HE MET 36 1.248 11.596 -4.653 262 H GLY 37 H GLY 37 7.180 10.517 -3.619 263 HA2 GLY 37 1HA GLY 37 5.630 11.973 -1.672 264 HA3 GLY 37 2HA GLY 37 7.258 11.594 -1.129 265 H GLN 38 H GLN 38 8.291 13.498 -1.180 266 HA GLN 38 HA GLN 38 8.064 15.136 -3.612 267 HB2 GLN 38 1HB GLN 38 8.881 16.999 -2.266 268 HB3 GLN 38 2HB GLN 38 7.464 16.274 -1.520 269 HG2 GLN 38 1HG GLN 38 8.816 15.156 0.108 270 HG3 GLN 38 2HG GLN 38 10.294 15.671 -0.702 271 HE21 GLN 38 1HE2 GLN 38 10.984 16.624 1.252 272 HE22 GLN 38 2HE2 GLN 38 10.351 18.143 1.776 273 H LYS 39 H LYS 39 9.665 12.816 -3.643 274 HA LYS 39 HA LYS 39 12.356 14.006 -3.823 275 HB2 LYS 39 1HB LYS 39 11.620 11.161 -3.109 276 HB3 LYS 39 2HB LYS 39 13.261 11.735 -3.378 277 HG2 LYS 39 1HG LYS 39 11.592 13.125 -1.349 278 HG3 LYS 39 2HG LYS 39 12.254 11.536 -0.960 279 HD2 LYS 39 1HD LYS 39 14.504 12.447 -1.685 280 HD3 LYS 39 2HD LYS 39 13.749 14.042 -1.699 281 HE2 LYS 39 1HE LYS 39 13.137 13.745 0.667 282 HE3 LYS 39 2HE LYS 39 13.950 12.181 0.667 283 HZ1 LYS 39 3HZ LYS 39 15.439 13.768 1.571 284 HZ2 LYS 39 1HZ LYS 39 15.189 14.849 0.294 285 HZ3 LYS 39 2HZ LYS 39 16.010 13.396 0.023 286 H ASN 40 H ASN 40 10.572 11.145 -5.001 287 HA ASN 40 HA ASN 40 12.026 11.202 -7.496 288 HB2 ASN 40 1HB ASN 40 9.730 9.442 -6.602 289 HB3 ASN 40 2HB ASN 40 10.697 9.203 -8.055 290 HD21 ASN 40 1HD2 ASN 40 10.795 9.269 -4.547 291 HD22 ASN 40 2HD2 ASN 40 12.178 8.246 -4.381 292 H SER 41 H SER 41 11.355 13.270 -8.277 293 HA SER 41 HA SER 41 8.875 14.301 -8.625 294 HB2 SER 41 1HB SER 41 11.097 14.302 -10.682 295 HB3 SER 41 2HB SER 41 9.714 15.396 -10.683 296 HG SER 41 HG SER 41 10.506 16.434 -8.969 297 H GLY 42 H GLY 42 7.126 14.030 -9.943 298 HA2 GLY 42 1HA GLY 42 6.369 11.565 -10.839 299 HA3 GLY 42 2HA GLY 42 5.735 13.063 -11.505 300 HA PRO 43 HA PRO 43 8.475 10.580 -14.555 301 HB2 PRO 43 1HB PRO 43 6.550 9.221 -15.904 302 HB3 PRO 43 2HB PRO 43 7.386 8.557 -14.495 303 HG2 PRO 43 1HG PRO 43 4.693 9.853 -14.662 304 HG3 PRO 43 2HG PRO 43 5.183 8.402 -13.768 305 HD2 PRO 43 1HD PRO 43 4.892 10.816 -12.578 306 HD3 PRO 43 2HD PRO 43 6.088 9.622 -12.034 307 H SER 44 H SER 44 8.695 11.145 -16.735 308 HA SER 44 HA SER 44 7.366 13.569 -17.494 309 HB2 SER 44 1HB SER 44 9.581 11.904 -18.591 310 HB3 SER 44 2HB SER 44 8.754 12.999 -19.700 311 HG SER 44 HG SER 44 10.286 13.584 -17.423 312 H SER 45 H SER 45 6.625 13.750 -19.877 313 HA SER 45 HA SER 45 4.474 11.834 -20.212 314 HB2 SER 45 1HB SER 45 3.619 13.376 -21.894 315 HB3 SER 45 2HB SER 45 4.057 14.271 -20.439 316 HG SER 45 HG SER 45 5.904 13.963 -22.542 317 H GLY 46 H GLY 46 3.995 10.870 -22.313 318 HA2 GLY 46 1HA GLY 46 6.401 10.432 -23.963 319 HA3 GLY 46 2HA GLY 46 5.445 9.071 -23.396 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -15.807 -30.809 -11.663 2 HA2 GLY 1 1HA GLY 1 -14.754 -28.333 -12.888 3 HA3 GLY 1 2HA GLY 1 -14.802 -28.587 -11.150 4 H SER 2 H SER 2 -12.466 -27.931 -12.559 5 HA SER 2 HA SER 2 -10.867 -30.322 -11.993 6 HB2 SER 2 1HB SER 2 -10.934 -28.774 -14.560 7 HB3 SER 2 2HB SER 2 -9.429 -29.530 -14.039 8 HG SER 2 HG SER 2 -11.607 -30.663 -15.152 9 H SER 3 H SER 3 -8.584 -29.846 -11.631 10 HA SER 3 HA SER 3 -8.021 -28.039 -9.736 11 HB2 SER 3 1HB SER 3 -5.662 -28.125 -10.398 12 HB3 SER 3 2HB SER 3 -6.404 -29.719 -10.544 13 HG SER 3 HG SER 3 -5.671 -29.646 -12.509 14 H GLY 4 H GLY 4 -8.774 -25.993 -9.757 15 HA2 GLY 4 1HA GLY 4 -7.413 -23.955 -11.062 16 HA3 GLY 4 2HA GLY 4 -8.815 -24.326 -12.054 17 H SER 5 H SER 5 -9.796 -22.338 -11.703 18 HA SER 5 HA SER 5 -10.236 -21.281 -9.093 19 HB2 SER 5 1HB SER 5 -11.531 -19.579 -10.176 20 HB3 SER 5 2HB SER 5 -10.166 -19.938 -11.234 21 HG SER 5 HG SER 5 -11.785 -21.500 -12.215 22 H SER 6 H SER 6 -11.862 -23.586 -11.067 23 HA SER 6 HA SER 6 -13.964 -24.536 -10.950 24 HB2 SER 6 1HB SER 6 -12.518 -25.716 -9.272 25 HB3 SER 6 2HB SER 6 -13.192 -24.664 -8.027 26 HG SER 6 HG SER 6 -14.235 -26.895 -9.106 27 H GLY 7 H GLY 7 -14.306 -21.804 -10.986 28 HA2 GLY 7 1HA GLY 7 -16.854 -21.314 -10.335 29 HA3 GLY 7 2HA GLY 7 -16.057 -21.061 -8.789 30 H SER 8 H SER 8 -16.469 -18.881 -8.646 31 HA SER 8 HA SER 8 -16.096 -17.024 -10.728 32 HB2 SER 8 1HB SER 8 -16.412 -15.333 -9.089 33 HB3 SER 8 2HB SER 8 -17.396 -16.696 -8.556 34 HG SER 8 HG SER 8 -14.807 -16.015 -7.608 35 H ARG 9 H ARG 9 -14.505 -15.122 -10.441 36 HA ARG 9 HA ARG 9 -11.823 -16.265 -10.026 37 HB2 ARG 9 1HB ARG 9 -12.259 -15.616 -12.341 38 HB3 ARG 9 2HB ARG 9 -12.696 -13.994 -11.821 39 HG2 ARG 9 1HG ARG 9 -10.433 -13.585 -11.075 40 HG3 ARG 9 2HG ARG 9 -9.976 -15.239 -11.485 41 HD2 ARG 9 1HD ARG 9 -10.391 -14.820 -13.823 42 HD3 ARG 9 2HD ARG 9 -11.009 -13.210 -13.460 43 HE ARG 9 HE ARG 9 -8.360 -13.503 -12.503 44 HH11 ARG 9 1HH1 ARG 9 -10.194 -13.067 -15.429 45 HH12 ARG 9 2HH1 ARG 9 -8.907 -12.270 -16.272 46 HH21 ARG 9 1HH2 ARG 9 -6.658 -12.455 -13.602 47 HH22 ARG 9 2HH2 ARG 9 -6.896 -11.923 -15.232 48 H GLU 10 H GLU 10 -11.788 -15.761 -7.795 49 HA GLU 10 HA GLU 10 -12.384 -13.395 -6.552 50 HB2 GLU 10 1HB GLU 10 -10.667 -13.989 -4.872 51 HB3 GLU 10 2HB GLU 10 -11.695 -15.349 -5.301 52 HG2 GLU 10 1HG GLU 10 -9.948 -16.209 -6.773 53 HG3 GLU 10 2HG GLU 10 -8.916 -14.846 -6.343 54 H LYS 11 H LYS 11 -10.641 -11.896 -5.534 55 HA LYS 11 HA LYS 11 -8.398 -11.256 -7.213 56 HB2 LYS 11 1HB LYS 11 -9.104 -9.166 -8.048 57 HB3 LYS 11 2HB LYS 11 -10.437 -10.265 -8.379 58 HG2 LYS 11 1HG LYS 11 -10.380 -8.536 -5.929 59 HG3 LYS 11 2HG LYS 11 -11.010 -7.959 -7.473 60 HD2 LYS 11 1HD LYS 11 -11.977 -10.521 -6.241 61 HD3 LYS 11 2HD LYS 11 -12.672 -8.961 -5.792 62 HE2 LYS 11 1HE LYS 11 -12.427 -9.707 -8.675 63 HE3 LYS 11 2HE LYS 11 -13.741 -10.374 -7.708 64 HZ1 LYS 11 3HZ LYS 11 -13.995 -7.847 -7.056 65 HZ2 LYS 11 1HZ LYS 11 -14.730 -8.486 -8.440 66 HZ3 LYS 11 2HZ LYS 11 -13.282 -7.623 -8.574 67 H SER 12 H SER 12 -7.039 -9.622 -6.310 68 HA SER 12 HA SER 12 -7.746 -8.700 -3.621 69 HB2 SER 12 1HB SER 12 -5.112 -10.050 -4.253 70 HB3 SER 12 2HB SER 12 -5.634 -9.435 -2.684 71 HG SER 12 HG SER 12 -6.189 -11.810 -3.888 72 H HIS 13 H HIS 13 -6.226 -7.031 -2.813 73 HA HIS 13 HA HIS 13 -5.054 -5.489 -5.035 74 HB2 HIS 13 1HB HIS 13 -6.691 -4.567 -2.683 75 HB3 HIS 13 2HB HIS 13 -5.614 -3.465 -3.537 76 HD1 HIS 13 HD1 HIS 13 -6.133 -4.034 -6.414 77 HD2 HIS 13 HD2 HIS 13 -9.173 -4.010 -3.581 78 HE1 HIS 13 HE1 HIS 13 -8.252 -3.621 -7.704 79 H GLN 14 H GLN 14 -3.047 -6.578 -4.528 80 HA GLN 14 HA GLN 14 -1.819 -5.873 -1.972 81 HB2 GLN 14 1HB GLN 14 -1.631 -8.198 -2.771 82 HB3 GLN 14 2HB GLN 14 -0.789 -7.630 -4.207 83 HG2 GLN 14 1HG GLN 14 1.069 -6.882 -2.903 84 HG3 GLN 14 2HG GLN 14 0.209 -7.216 -1.401 85 HE21 GLN 14 1HE2 GLN 14 2.360 -8.387 -1.165 86 HE22 GLN 14 2HE2 GLN 14 2.378 -10.047 -1.642 87 H CYS 15 H CYS 15 0.445 -5.090 -1.992 88 HA CYS 15 HA CYS 15 0.747 -3.014 -4.040 89 HB2 CYS 15 1HB CYS 15 0.747 -2.121 -1.822 90 HB3 CYS 15 2HB CYS 15 1.911 -3.323 -1.271 91 H ARG 16 H ARG 16 2.220 -3.220 -5.583 92 HA ARG 16 HA ARG 16 4.247 -5.316 -5.332 93 HB2 ARG 16 1HB ARG 16 2.677 -5.104 -7.346 94 HB3 ARG 16 2HB ARG 16 3.643 -3.708 -7.806 95 HG2 ARG 16 1HG ARG 16 5.490 -4.978 -8.310 96 HG3 ARG 16 2HG ARG 16 5.001 -6.301 -7.249 97 HD2 ARG 16 1HD ARG 16 3.441 -7.113 -8.781 98 HD3 ARG 16 2HD ARG 16 3.392 -5.593 -9.675 99 HE ARG 16 HE ARG 16 5.981 -6.698 -9.815 100 HH11 ARG 16 1HH1 ARG 16 2.750 -7.200 -11.010 101 HH12 ARG 16 2HH1 ARG 16 3.270 -7.971 -12.472 102 HH21 ARG 16 1HH2 ARG 16 6.678 -7.712 -11.735 103 HH22 ARG 16 2HH2 ARG 16 5.505 -8.263 -12.883 104 H GLU 17 H GLU 17 4.657 -2.993 -3.801 105 HA GLU 17 HA GLU 17 7.079 -1.946 -5.097 106 HB2 GLU 17 1HB GLU 17 5.010 -0.363 -3.568 107 HB3 GLU 17 2HB GLU 17 6.611 0.250 -3.960 108 HG2 GLU 17 1HG GLU 17 5.913 -0.405 -6.403 109 HG3 GLU 17 2HG GLU 17 4.286 -0.262 -5.739 110 H CYS 18 H CYS 18 5.364 -2.760 -2.151 111 HA CYS 18 HA CYS 18 7.953 -2.936 -0.767 112 HB2 CYS 18 1HB CYS 18 7.026 -2.039 1.252 113 HB3 CYS 18 2HB CYS 18 6.642 -0.915 -0.047 114 H GLY 19 H GLY 19 4.600 -4.025 -0.978 115 HA2 GLY 19 1HA GLY 19 4.204 -6.430 -0.991 116 HA3 GLY 19 2HA GLY 19 5.461 -6.579 0.228 117 H GLU 20 H GLU 20 2.316 -4.991 -0.292 118 HA GLU 20 HA GLU 20 1.541 -5.829 2.408 119 HB2 GLU 20 1HB GLU 20 1.665 -3.046 1.354 120 HB3 GLU 20 2HB GLU 20 0.311 -3.468 2.394 121 HG2 GLU 20 1HG GLU 20 3.141 -4.024 3.203 122 HG3 GLU 20 2HG GLU 20 2.388 -2.454 3.475 123 H ILE 21 H ILE 21 -0.513 -6.542 2.573 124 HA ILE 21 HA ILE 21 -2.202 -6.314 0.168 125 HB ILE 21 HB ILE 21 -2.291 -8.497 2.252 126 HG12 ILE 21 1HG1 ILE 21 -1.292 -8.805 -0.570 127 HG13 ILE 21 2HG1 ILE 21 -0.205 -8.335 0.733 128 HG21 ILE 21 1HG2 ILE 21 -3.561 -8.433 -0.476 129 HG22 ILE 21 2HG2 ILE 21 -3.816 -9.612 0.809 130 HG23 ILE 21 3HG2 ILE 21 -4.401 -7.960 1.000 131 HD11 ILE 21 3HD1 ILE 21 -1.061 -10.925 -0.013 132 HD12 ILE 21 1HD1 ILE 21 0.047 -10.458 1.277 133 HD13 ILE 21 2HD1 ILE 21 -1.682 -10.588 1.602 134 H PHE 22 H PHE 22 -4.190 -5.468 0.349 135 HA PHE 22 HA PHE 22 -5.230 -4.959 3.059 136 HB2 PHE 22 1HB PHE 22 -5.407 -3.144 0.645 137 HB3 PHE 22 2HB PHE 22 -6.193 -2.848 2.192 138 HD1 PHE 22 HD2 PHE 22 -4.768 -2.493 4.228 139 HD2 PHE 22 HD1 PHE 22 -3.168 -2.551 0.284 140 HE1 PHE 22 HE2 PHE 22 -2.748 -1.344 5.034 141 HE2 PHE 22 HE1 PHE 22 -1.145 -1.403 1.084 142 HZ PHE 22 HZ PHE 22 -0.933 -0.797 3.462 143 H PHE 23 H PHE 23 -7.678 -4.181 2.750 144 HA PHE 23 HA PHE 23 -8.966 -6.314 1.187 145 HB2 PHE 23 1HB PHE 23 -9.995 -4.806 3.601 146 HB3 PHE 23 2HB PHE 23 -10.864 -6.078 2.747 147 HD1 PHE 23 HD2 PHE 23 -9.137 -8.228 2.373 148 HD2 PHE 23 HD1 PHE 23 -9.194 -5.486 5.627 149 HE1 PHE 23 HE2 PHE 23 -8.074 -9.918 3.810 150 HE2 PHE 23 HE1 PHE 23 -8.130 -7.171 7.070 151 HZ PHE 23 HZ PHE 23 -7.570 -9.391 6.163 152 H GLN 24 H GLN 24 -9.388 -2.926 2.180 153 HA GLN 24 HA GLN 24 -11.344 -2.525 0.057 154 HB2 GLN 24 1HB GLN 24 -10.419 -0.885 2.394 155 HB3 GLN 24 2HB GLN 24 -11.317 -0.136 1.080 156 HG2 GLN 24 1HG GLN 24 -13.125 -1.800 1.452 157 HG3 GLN 24 2HG GLN 24 -12.240 -2.375 2.864 158 HE21 GLN 24 1HE2 GLN 24 -14.868 -1.289 2.846 159 HE22 GLN 24 2HE2 GLN 24 -14.843 0.148 3.803 160 H TYR 25 H TYR 25 -11.114 -0.938 -1.567 161 HA TYR 25 HA TYR 25 -8.563 -0.823 -2.756 162 HB2 TYR 25 1HB TYR 25 -10.487 -0.699 -4.167 163 HB3 TYR 25 2HB TYR 25 -11.113 0.700 -3.301 164 HD1 TYR 25 HD1 TYR 25 -7.906 -0.214 -5.007 165 HD2 TYR 25 HD2 TYR 25 -10.989 2.670 -4.479 166 HE1 TYR 25 HE1 TYR 25 -6.781 1.274 -6.610 167 HE2 TYR 25 HE2 TYR 25 -9.874 4.165 -6.082 168 HH TYR 25 HH TYR 25 -7.950 4.542 -7.216 169 H VAL 26 H VAL 26 -10.425 1.554 -0.909 170 HA VAL 26 HA VAL 26 -8.751 3.760 -1.237 171 HB VAL 26 HB VAL 26 -10.355 3.062 1.227 172 HG11 VAL 26 1HG1 VAL 26 -8.550 4.984 1.149 173 HG12 VAL 26 2HG1 VAL 26 -9.846 5.849 0.322 174 HG13 VAL 26 3HG1 VAL 26 -10.104 5.217 1.948 175 HG21 VAL 26 3HG2 VAL 26 -11.210 4.738 -1.127 176 HG22 VAL 26 1HG2 VAL 26 -11.635 3.038 -0.927 177 HG23 VAL 26 2HG2 VAL 26 -12.191 4.230 0.248 178 H SER 27 H SER 27 -8.503 1.000 0.909 179 HA SER 27 HA SER 27 -6.524 2.030 2.637 180 HB2 SER 27 1HB SER 27 -7.126 -0.838 1.876 181 HB3 SER 27 2HB SER 27 -6.107 -0.342 3.227 182 HG SER 27 HG SER 27 -8.112 -0.672 4.067 183 H LEU 28 H LEU 28 -6.399 0.851 -0.589 184 HA LEU 28 HA LEU 28 -3.529 0.373 -0.507 185 HB2 LEU 28 1HB LEU 28 -4.794 -1.174 -1.808 186 HB3 LEU 28 2HB LEU 28 -5.591 0.130 -2.686 187 HG LEU 28 HG LEU 28 -3.254 0.697 -3.579 188 HD11 LEU 28 1HD1 LEU 28 -2.028 -1.683 -3.701 189 HD12 LEU 28 2HD1 LEU 28 -2.744 -1.802 -2.094 190 HD13 LEU 28 3HD1 LEU 28 -1.661 -0.465 -2.480 191 HD21 LEU 28 3HD2 LEU 28 -3.471 -1.472 -5.118 192 HD22 LEU 28 1HD2 LEU 28 -4.575 -0.103 -5.239 193 HD23 LEU 28 2HD2 LEU 28 -5.046 -1.537 -4.327 194 H ILE 29 H ILE 29 -5.586 2.216 -2.763 195 HA ILE 29 HA ILE 29 -3.793 3.816 -3.958 196 HB ILE 29 HB ILE 29 -6.331 3.871 -4.196 197 HG12 ILE 29 1HG1 ILE 29 -4.974 6.570 -4.157 198 HG13 ILE 29 2HG1 ILE 29 -4.671 5.353 -5.392 199 HG21 ILE 29 1HG2 ILE 29 -6.675 4.455 -1.768 200 HG22 ILE 29 2HG2 ILE 29 -6.136 6.085 -2.169 201 HG23 ILE 29 3HG2 ILE 29 -7.587 5.426 -2.924 202 HD11 ILE 29 3HD1 ILE 29 -7.464 5.672 -5.213 203 HD12 ILE 29 1HD1 ILE 29 -6.751 7.284 -5.251 204 HD13 ILE 29 2HD1 ILE 29 -6.391 6.129 -6.535 205 H GLU 30 H GLU 30 -5.014 4.250 -0.676 206 HA GLU 30 HA GLU 30 -3.705 6.739 -0.225 207 HB2 GLU 30 1HB GLU 30 -5.079 4.720 1.500 208 HB3 GLU 30 2HB GLU 30 -4.096 5.965 2.258 209 HG2 GLU 30 1HG GLU 30 -6.496 6.369 0.493 210 HG3 GLU 30 2HG GLU 30 -6.373 6.689 2.222 211 H HIS 31 H HIS 31 -2.990 3.410 0.816 212 HA HIS 31 HA HIS 31 -0.653 3.881 2.213 213 HB2 HIS 31 1HB HIS 31 -1.450 1.700 2.380 214 HB3 HIS 31 2HB HIS 31 -1.657 1.535 0.639 215 HD1 HIS 31 HD1 HIS 31 1.105 1.647 3.229 216 HD2 HIS 31 HD2 HIS 31 0.421 0.323 -0.649 217 HE1 HIS 31 HE1 HIS 31 3.160 0.347 2.591 218 H GLN 32 H GLN 32 -1.045 3.267 -1.263 219 HA GLN 32 HA GLN 32 1.589 3.186 -2.049 220 HB2 GLN 32 1HB GLN 32 -0.749 4.444 -3.493 221 HB3 GLN 32 2HB GLN 32 0.801 4.073 -4.238 222 HG2 GLN 32 1HG GLN 32 -0.648 1.885 -2.851 223 HG3 GLN 32 2HG GLN 32 -1.254 2.437 -4.412 224 HE21 GLN 32 1HE2 GLN 32 1.603 1.216 -2.755 225 HE22 GLN 32 2HE2 GLN 32 2.319 0.480 -4.144 226 H VAL 33 H VAL 33 -0.399 6.010 -1.343 227 HA VAL 33 HA VAL 33 1.052 8.090 -2.305 228 HB VAL 33 HB VAL 33 -0.167 7.939 0.456 229 HG11 VAL 33 1HG1 VAL 33 0.792 10.263 -1.193 230 HG12 VAL 33 2HG1 VAL 33 -0.362 10.445 0.130 231 HG13 VAL 33 3HG1 VAL 33 1.257 9.821 0.450 232 HG21 VAL 33 3HG2 VAL 33 -1.481 7.590 -1.860 233 HG22 VAL 33 1HG2 VAL 33 -2.191 8.380 -0.452 234 HG23 VAL 33 2HG2 VAL 33 -1.516 9.351 -1.760 235 H LEU 34 H LEU 34 1.649 6.524 0.843 236 HA LEU 34 HA LEU 34 3.769 7.932 1.774 237 HB2 LEU 34 1HB LEU 34 3.208 4.990 1.832 238 HB3 LEU 34 2HB LEU 34 4.648 5.652 2.602 239 HG LEU 34 HG LEU 34 1.861 6.560 3.290 240 HD11 LEU 34 1HD1 LEU 34 3.016 4.947 5.328 241 HD12 LEU 34 2HD1 LEU 34 3.018 4.034 3.819 242 HD13 LEU 34 3HD1 LEU 34 1.510 4.702 4.443 243 HD21 LEU 34 3HD2 LEU 34 4.254 6.668 5.071 244 HD22 LEU 34 1HD2 LEU 34 2.814 7.687 5.057 245 HD23 LEU 34 2HD2 LEU 34 4.047 7.886 3.811 246 H HIS 35 H HIS 35 3.913 5.354 -0.658 247 HA HIS 35 HA HIS 35 6.711 5.364 -0.982 248 HB2 HIS 35 1HB HIS 35 4.526 4.571 -2.916 249 HB3 HIS 35 2HB HIS 35 6.238 4.236 -3.154 250 HD1 HIS 35 HD1 HIS 35 7.055 3.173 -0.445 251 HD2 HIS 35 HD2 HIS 35 3.479 2.152 -2.297 252 HE1 HIS 35 HE1 HIS 35 6.371 0.979 0.577 253 H MET 36 H MET 36 4.267 6.660 -3.240 254 HA MET 36 HA MET 36 6.089 8.136 -4.777 255 HB2 MET 36 1HB MET 36 4.068 9.364 -5.586 256 HB3 MET 36 2HB MET 36 3.926 7.614 -5.674 257 HG2 MET 36 1HG MET 36 2.730 7.769 -3.429 258 HG3 MET 36 2HG MET 36 2.618 9.498 -3.748 259 HE1 MET 36 3HE MET 36 0.576 5.954 -5.099 260 HE2 MET 36 1HE MET 36 1.368 6.327 -6.630 261 HE3 MET 36 2HE MET 36 2.331 6.128 -5.166 262 H GLY 37 H GLY 37 7.449 9.459 -3.648 263 HA2 GLY 37 1HA GLY 37 6.218 11.855 -2.497 264 HA3 GLY 37 2HA GLY 37 7.318 10.933 -1.483 265 H GLN 38 H GLN 38 7.995 13.464 -1.847 266 HA GLN 38 HA GLN 38 10.184 13.340 -3.814 267 HB2 GLN 38 1HB GLN 38 8.327 14.928 -4.432 268 HB3 GLN 38 2HB GLN 38 8.731 15.857 -2.994 269 HG2 GLN 38 1HG GLN 38 10.856 15.240 -4.991 270 HG3 GLN 38 2HG GLN 38 9.696 16.527 -5.316 271 HE21 GLN 38 1HE2 GLN 38 10.183 18.468 -4.588 272 HE22 GLN 38 2HE2 GLN 38 11.323 18.830 -3.342 273 H LYS 39 H LYS 39 11.789 12.750 -2.413 274 HA LYS 39 HA LYS 39 12.164 14.240 0.060 275 HB2 LYS 39 1HB LYS 39 13.909 12.627 0.557 276 HB3 LYS 39 2HB LYS 39 12.448 11.788 0.051 277 HG2 LYS 39 1HG LYS 39 13.425 11.561 -2.217 278 HG3 LYS 39 2HG LYS 39 14.917 12.274 -1.600 279 HD2 LYS 39 1HD LYS 39 13.665 9.832 -0.368 280 HD3 LYS 39 2HD LYS 39 14.817 9.735 -1.702 281 HE2 LYS 39 1HE LYS 39 16.204 9.511 0.124 282 HE3 LYS 39 2HE LYS 39 16.287 11.248 -0.170 283 HZ1 LYS 39 3HZ LYS 39 14.129 10.806 1.524 284 HZ2 LYS 39 1HZ LYS 39 15.598 11.560 1.894 285 HZ3 LYS 39 2HZ LYS 39 15.416 9.896 2.140 286 H ASN 40 H ASN 40 14.260 15.170 0.597 287 HA ASN 40 HA ASN 40 15.819 16.027 -1.741 288 HB2 ASN 40 1HB ASN 40 15.987 18.305 -0.696 289 HB3 ASN 40 2HB ASN 40 14.376 17.889 -1.271 290 HD21 ASN 40 1HD2 ASN 40 16.264 18.835 1.378 291 HD22 ASN 40 2HD2 ASN 40 15.030 18.775 2.586 292 H SER 41 H SER 41 17.957 16.930 -1.139 293 HA SER 41 HA SER 41 19.052 15.437 1.141 294 HB2 SER 41 1HB SER 41 20.276 16.445 -1.422 295 HB3 SER 41 2HB SER 41 21.274 15.939 -0.058 296 HG SER 41 HG SER 41 19.826 13.951 -0.208 297 H GLY 42 H GLY 42 20.657 16.428 2.491 298 HA2 GLY 42 1HA GLY 42 19.977 18.871 3.558 299 HA3 GLY 42 2HA GLY 42 21.567 18.142 3.724 300 HA PRO 43 HA PRO 43 21.423 21.982 0.811 301 HB2 PRO 43 1HB PRO 43 21.742 24.016 2.581 302 HB3 PRO 43 2HB PRO 43 20.156 23.451 2.042 303 HG2 PRO 43 1HG PRO 43 21.637 22.817 4.566 304 HG3 PRO 43 2HG PRO 43 19.919 23.195 4.342 305 HD2 PRO 43 1HD PRO 43 20.825 20.662 4.645 306 HD3 PRO 43 2HD PRO 43 19.409 21.057 3.650 307 H SER 44 H SER 44 23.186 21.856 3.913 308 HA SER 44 HA SER 44 25.600 22.859 2.702 309 HB2 SER 44 1HB SER 44 26.580 22.525 4.956 310 HB3 SER 44 2HB SER 44 25.083 23.457 5.010 311 HG SER 44 HG SER 44 24.945 21.923 6.597 312 H SER 45 H SER 45 27.691 21.663 3.048 313 HA SER 45 HA SER 45 27.758 19.322 1.589 314 HB2 SER 45 1HB SER 45 29.668 20.675 3.435 315 HB3 SER 45 2HB SER 45 30.030 19.018 2.954 316 HG SER 45 HG SER 45 29.290 20.828 0.962 317 H GLY 46 H GLY 46 27.144 17.308 1.995 318 HA2 GLY 46 1HA GLY 46 27.738 15.816 4.256 319 HA3 GLY 46 2HA GLY 46 26.150 16.514 4.535 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -9.230 -15.176 -13.466 2 HA2 GLY 1 1HA GLY 1 -10.072 -15.836 -10.859 3 HA3 GLY 1 2HA GLY 1 -11.426 -15.131 -11.729 4 H SER 2 H SER 2 -8.878 -17.122 -13.130 5 HA SER 2 HA SER 2 -10.654 -18.758 -14.549 6 HB2 SER 2 1HB SER 2 -8.153 -18.384 -14.965 7 HB3 SER 2 2HB SER 2 -7.878 -19.612 -13.729 8 HG SER 2 HG SER 2 -9.333 -20.955 -15.066 9 H SER 3 H SER 3 -12.223 -19.412 -12.993 10 HA SER 3 HA SER 3 -12.049 -20.631 -10.627 11 HB2 SER 3 1HB SER 3 -13.701 -21.784 -12.886 12 HB3 SER 3 2HB SER 3 -14.023 -21.937 -11.159 13 HG SER 3 HG SER 3 -14.197 -19.638 -12.790 14 H GLY 4 H GLY 4 -10.880 -22.210 -9.769 15 HA2 GLY 4 1HA GLY 4 -10.411 -24.663 -11.267 16 HA3 GLY 4 2HA GLY 4 -8.978 -23.740 -10.838 17 H SER 5 H SER 5 -11.853 -25.282 -9.449 18 HA SER 5 HA SER 5 -12.264 -25.959 -7.278 19 HB2 SER 5 1HB SER 5 -10.900 -27.861 -6.695 20 HB3 SER 5 2HB SER 5 -11.098 -27.848 -8.447 21 HG SER 5 HG SER 5 -9.031 -27.356 -8.697 22 H SER 6 H SER 6 -11.124 -23.399 -7.238 23 HA SER 6 HA SER 6 -9.318 -23.543 -4.915 24 HB2 SER 6 1HB SER 6 -8.628 -21.230 -5.539 25 HB3 SER 6 2HB SER 6 -8.265 -22.418 -6.790 26 HG SER 6 HG SER 6 -9.224 -20.810 -7.882 27 H GLY 7 H GLY 7 -12.061 -21.758 -6.297 28 HA2 GLY 7 1HA GLY 7 -13.866 -20.775 -5.264 29 HA3 GLY 7 2HA GLY 7 -13.387 -21.595 -3.785 30 H SER 8 H SER 8 -12.255 -18.921 -5.857 31 HA SER 8 HA SER 8 -11.793 -17.365 -3.398 32 HB2 SER 8 1HB SER 8 -10.049 -17.754 -5.795 33 HB3 SER 8 2HB SER 8 -10.008 -16.199 -4.964 34 HG SER 8 HG SER 8 -9.832 -18.520 -3.421 35 H ARG 9 H ARG 9 -13.705 -16.233 -3.472 36 HA ARG 9 HA ARG 9 -14.356 -14.754 -5.910 37 HB2 ARG 9 1HB ARG 9 -15.861 -15.485 -3.429 38 HB3 ARG 9 2HB ARG 9 -16.391 -14.102 -4.377 39 HG2 ARG 9 1HG ARG 9 -17.653 -15.720 -5.344 40 HG3 ARG 9 2HG ARG 9 -16.212 -15.846 -6.355 41 HD2 ARG 9 1HD ARG 9 -16.932 -18.052 -5.676 42 HD3 ARG 9 2HD ARG 9 -15.391 -17.665 -4.913 43 HE ARG 9 HE ARG 9 -17.190 -16.924 -3.044 44 HH11 ARG 9 1HH1 ARG 9 -16.742 -19.847 -4.882 45 HH12 ARG 9 2HH1 ARG 9 -17.382 -20.877 -3.645 46 HH21 ARG 9 1HH2 ARG 9 -18.034 -18.270 -1.408 47 HH22 ARG 9 2HH2 ARG 9 -18.117 -19.979 -1.669 48 H GLU 10 H GLU 10 -12.061 -13.830 -4.774 49 HA GLU 10 HA GLU 10 -12.881 -11.162 -3.914 50 HB2 GLU 10 1HB GLU 10 -11.205 -13.061 -2.334 51 HB3 GLU 10 2HB GLU 10 -10.797 -11.351 -2.290 52 HG2 GLU 10 1HG GLU 10 -12.953 -10.790 -1.427 53 HG3 GLU 10 2HG GLU 10 -13.526 -12.441 -1.652 54 H LYS 11 H LYS 11 -11.454 -9.525 -4.481 55 HA LYS 11 HA LYS 11 -9.193 -10.354 -6.181 56 HB2 LYS 11 1HB LYS 11 -9.636 -8.122 -7.369 57 HB3 LYS 11 2HB LYS 11 -10.751 -9.446 -7.681 58 HG2 LYS 11 1HG LYS 11 -11.385 -7.510 -5.509 59 HG3 LYS 11 2HG LYS 11 -11.630 -7.032 -7.191 60 HD2 LYS 11 1HD LYS 11 -13.281 -8.604 -7.537 61 HD3 LYS 11 2HD LYS 11 -12.691 -9.659 -6.251 62 HE2 LYS 11 1HE LYS 11 -14.629 -8.775 -5.338 63 HE3 LYS 11 2HE LYS 11 -13.377 -7.725 -4.677 64 HZ1 LYS 11 3HZ LYS 11 -14.848 -6.178 -5.419 65 HZ2 LYS 11 1HZ LYS 11 -15.425 -7.142 -6.683 66 HZ3 LYS 11 2HZ LYS 11 -13.935 -6.357 -6.831 67 H SER 12 H SER 12 -8.250 -10.197 -3.868 68 HA SER 12 HA SER 12 -7.848 -7.802 -2.543 69 HB2 SER 12 1HB SER 12 -5.839 -10.052 -2.806 70 HB3 SER 12 2HB SER 12 -5.893 -8.842 -1.525 71 HG SER 12 HG SER 12 -8.187 -10.366 -1.977 72 H HIS 13 H HIS 13 -5.814 -6.534 -2.386 73 HA HIS 13 HA HIS 13 -4.594 -6.159 -5.043 74 HB2 HIS 13 1HB HIS 13 -5.468 -4.117 -3.005 75 HB3 HIS 13 2HB HIS 13 -4.323 -3.729 -4.285 76 HD1 HIS 13 HD1 HIS 13 -5.512 -4.886 -6.737 77 HD2 HIS 13 HD2 HIS 13 -7.852 -3.132 -3.785 78 HE1 HIS 13 HE1 HIS 13 -7.655 -4.229 -7.879 79 H GLN 14 H GLN 14 -2.520 -6.690 -5.046 80 HA GLN 14 HA GLN 14 -1.007 -6.587 -2.542 81 HB2 GLN 14 1HB GLN 14 -1.110 -8.668 -4.034 82 HB3 GLN 14 2HB GLN 14 -0.064 -7.786 -5.138 83 HG2 GLN 14 1HG GLN 14 1.656 -7.630 -3.470 84 HG3 GLN 14 2HG GLN 14 0.598 -8.356 -2.260 85 HE21 GLN 14 1HE2 GLN 14 -0.147 -10.566 -2.707 86 HE22 GLN 14 2HE2 GLN 14 0.934 -11.651 -3.506 87 H CYS 15 H CYS 15 0.613 -5.190 -2.198 88 HA CYS 15 HA CYS 15 1.070 -3.112 -4.159 89 HB2 CYS 15 1HB CYS 15 0.805 -2.501 -1.807 90 HB3 CYS 15 2HB CYS 15 2.191 -3.497 -1.375 91 H ARG 16 H ARG 16 2.529 -3.349 -5.708 92 HA ARG 16 HA ARG 16 4.748 -5.202 -5.360 93 HB2 ARG 16 1HB ARG 16 3.521 -3.789 -7.697 94 HB3 ARG 16 2HB ARG 16 5.158 -4.417 -7.827 95 HG2 ARG 16 1HG ARG 16 3.916 -6.162 -8.654 96 HG3 ARG 16 2HG ARG 16 4.094 -6.624 -6.960 97 HD2 ARG 16 1HD ARG 16 1.897 -5.981 -6.441 98 HD3 ARG 16 2HD ARG 16 1.731 -5.046 -7.926 99 HE ARG 16 HE ARG 16 2.165 -7.826 -8.428 100 HH11 ARG 16 1HH1 ARG 16 -0.242 -5.453 -7.595 101 HH12 ARG 16 2HH1 ARG 16 -1.560 -6.371 -8.245 102 HH21 ARG 16 1HH2 ARG 16 0.439 -9.043 -9.288 103 HH22 ARG 16 2HH2 ARG 16 -1.172 -8.413 -9.207 104 H GLU 17 H GLU 17 4.991 -3.027 -3.696 105 HA GLU 17 HA GLU 17 7.325 -1.678 -4.861 106 HB2 GLU 17 1HB GLU 17 4.923 -0.434 -3.606 107 HB3 GLU 17 2HB GLU 17 6.490 0.302 -3.303 108 HG2 GLU 17 1HG GLU 17 5.699 1.459 -5.142 109 HG3 GLU 17 2HG GLU 17 6.779 0.260 -5.851 110 H CYS 18 H CYS 18 5.602 -2.792 -2.015 111 HA CYS 18 HA CYS 18 8.160 -2.824 -0.559 112 HB2 CYS 18 1HB CYS 18 6.859 -2.381 1.533 113 HB3 CYS 18 2HB CYS 18 6.873 -1.033 0.401 114 H GLY 19 H GLY 19 4.878 -4.176 -0.745 115 HA2 GLY 19 1HA GLY 19 4.809 -6.646 -1.024 116 HA3 GLY 19 2HA GLY 19 5.990 -6.718 0.276 117 H GLU 20 H GLU 20 2.682 -5.668 -0.463 118 HA GLU 20 HA GLU 20 1.824 -6.703 2.121 119 HB2 GLU 20 1HB GLU 20 2.392 -4.243 2.377 120 HB3 GLU 20 2HB GLU 20 1.058 -3.908 1.282 121 HG2 GLU 20 1HG GLU 20 0.581 -3.718 3.756 122 HG3 GLU 20 2HG GLU 20 -0.539 -4.690 2.803 123 H ILE 21 H ILE 21 -0.516 -6.917 2.283 124 HA ILE 21 HA ILE 21 -1.841 -6.986 -0.348 125 HB ILE 21 HB ILE 21 -2.147 -9.033 1.852 126 HG12 ILE 21 1HG1 ILE 21 -0.974 -9.444 -0.899 127 HG13 ILE 21 2HG1 ILE 21 0.017 -9.056 0.504 128 HG21 ILE 21 1HG2 ILE 21 -4.179 -8.515 0.457 129 HG22 ILE 21 2HG2 ILE 21 -3.280 -9.119 -0.934 130 HG23 ILE 21 3HG2 ILE 21 -3.638 -10.193 0.419 131 HD11 ILE 21 3HD1 ILE 21 -0.279 -11.106 1.450 132 HD12 ILE 21 1HD1 ILE 21 -1.851 -11.355 0.691 133 HD13 ILE 21 2HD1 ILE 21 -0.374 -11.534 -0.258 134 H PHE 22 H PHE 22 -3.867 -6.186 -0.452 135 HA PHE 22 HA PHE 22 -5.168 -5.431 2.081 136 HB2 PHE 22 1HB PHE 22 -5.124 -3.834 -0.489 137 HB3 PHE 22 2HB PHE 22 -6.006 -3.398 0.972 138 HD1 PHE 22 HD1 PHE 22 -2.717 -3.626 -0.604 139 HD2 PHE 22 HD2 PHE 22 -4.855 -2.541 2.913 140 HE1 PHE 22 HE1 PHE 22 -0.735 -2.428 0.226 141 HE2 PHE 22 HE2 PHE 22 -2.876 -1.340 3.748 142 HZ PHE 22 HZ PHE 22 -0.813 -1.282 2.405 143 H PHE 23 H PHE 23 -7.564 -4.638 1.385 144 HA PHE 23 HA PHE 23 -8.690 -6.858 -0.192 145 HB2 PHE 23 1HB PHE 23 -9.749 -5.491 2.281 146 HB3 PHE 23 2HB PHE 23 -10.749 -6.520 1.261 147 HD1 PHE 23 HD1 PHE 23 -7.347 -6.692 2.796 148 HD2 PHE 23 HD2 PHE 23 -11.056 -8.642 2.050 149 HE1 PHE 23 HE1 PHE 23 -6.549 -8.672 4.020 150 HE2 PHE 23 HE2 PHE 23 -10.264 -10.624 3.274 151 HZ PHE 23 HZ PHE 23 -8.008 -10.641 4.261 152 H GLN 24 H GLN 24 -9.383 -3.538 0.898 153 HA GLN 24 HA GLN 24 -11.094 -3.141 -1.436 154 HB2 GLN 24 1HB GLN 24 -11.582 -2.406 1.046 155 HB3 GLN 24 2HB GLN 24 -10.597 -1.016 0.607 156 HG2 GLN 24 1HG GLN 24 -12.106 -0.327 -1.047 157 HG3 GLN 24 2HG GLN 24 -12.942 -1.879 -1.047 158 HE21 GLN 24 1HE2 GLN 24 -11.983 0.357 1.533 159 HE22 GLN 24 2HE2 GLN 24 -13.565 0.531 2.205 160 H TYR 25 H TYR 25 -10.886 -1.072 -2.636 161 HA TYR 25 HA TYR 25 -8.159 -0.731 -3.488 162 HB2 TYR 25 1HB TYR 25 -9.902 -0.751 -5.165 163 HB3 TYR 25 2HB TYR 25 -10.729 0.590 -4.380 164 HD1 TYR 25 HD1 TYR 25 -7.532 -0.301 -6.069 165 HD2 TYR 25 HD2 TYR 25 -10.267 2.785 -5.021 166 HE1 TYR 25 HE1 TYR 25 -6.268 1.283 -7.462 167 HE2 TYR 25 HE2 TYR 25 -9.011 4.378 -6.412 168 HH TYR 25 HH TYR 25 -6.277 3.332 -8.391 169 H VAL 26 H VAL 26 -10.589 1.227 -1.827 170 HA VAL 26 HA VAL 26 -9.272 3.667 -1.758 171 HB VAL 26 HB VAL 26 -10.959 2.507 0.463 172 HG11 VAL 26 1HG1 VAL 26 -9.718 5.104 0.008 173 HG12 VAL 26 2HG1 VAL 26 -11.454 5.204 0.309 174 HG13 VAL 26 3HG1 VAL 26 -10.398 4.416 1.482 175 HG21 VAL 26 3HG2 VAL 26 -12.171 4.354 -1.479 176 HG22 VAL 26 1HG2 VAL 26 -11.760 2.759 -2.109 177 HG23 VAL 26 2HG2 VAL 26 -12.835 2.907 -0.719 178 H SER 27 H SER 27 -8.663 0.754 0.041 179 HA SER 27 HA SER 27 -7.019 2.002 2.038 180 HB2 SER 27 1HB SER 27 -6.822 -0.096 2.984 181 HB3 SER 27 2HB SER 27 -8.324 -0.299 2.083 182 HG SER 27 HG SER 27 -6.908 -1.107 0.341 183 H LEU 28 H LEU 28 -6.505 0.392 -1.039 184 HA LEU 28 HA LEU 28 -3.670 0.212 -0.810 185 HB2 LEU 28 1HB LEU 28 -4.958 -1.231 -2.301 186 HB3 LEU 28 2HB LEU 28 -5.438 0.173 -3.252 187 HG LEU 28 HG LEU 28 -2.991 0.507 -3.775 188 HD11 LEU 28 1HD1 LEU 28 -2.606 -1.362 -1.804 189 HD12 LEU 28 2HD1 LEU 28 -1.406 -0.852 -2.991 190 HD13 LEU 28 3HD1 LEU 28 -2.375 -2.297 -3.282 191 HD21 LEU 28 3HD2 LEU 28 -3.009 -1.651 -5.282 192 HD22 LEU 28 1HD2 LEU 28 -4.134 -0.325 -5.573 193 HD23 LEU 28 2HD2 LEU 28 -4.673 -1.764 -4.708 194 H ILE 29 H ILE 29 -5.794 2.374 -2.688 195 HA ILE 29 HA ILE 29 -3.875 4.018 -3.795 196 HB ILE 29 HB ILE 29 -6.386 4.068 -4.194 197 HG12 ILE 29 1HG1 ILE 29 -5.137 6.787 -3.784 198 HG13 ILE 29 2HG1 ILE 29 -4.662 5.706 -5.090 199 HG21 ILE 29 1HG2 ILE 29 -7.740 5.525 -2.865 200 HG22 ILE 29 2HG2 ILE 29 -6.960 4.369 -1.787 201 HG23 ILE 29 3HG2 ILE 29 -6.349 6.020 -1.900 202 HD11 ILE 29 3HD1 ILE 29 -7.520 6.022 -5.013 203 HD12 ILE 29 1HD1 ILE 29 -6.709 7.584 -5.113 204 HD13 ILE 29 2HD1 ILE 29 -6.384 6.343 -6.323 205 H GLU 30 H GLU 30 -5.350 4.206 -0.585 206 HA GLU 30 HA GLU 30 -4.183 6.649 0.192 207 HB2 GLU 30 1HB GLU 30 -6.070 5.164 1.292 208 HB3 GLU 30 2HB GLU 30 -4.718 4.505 2.202 209 HG2 GLU 30 1HG GLU 30 -4.161 6.988 2.689 210 HG3 GLU 30 2HG GLU 30 -5.835 7.272 2.217 211 H HIS 31 H HIS 31 -3.168 3.288 0.757 212 HA HIS 31 HA HIS 31 -0.868 3.837 2.243 213 HB2 HIS 31 1HB HIS 31 -1.511 1.599 2.271 214 HB3 HIS 31 2HB HIS 31 -1.728 1.536 0.524 215 HD1 HIS 31 HD1 HIS 31 1.113 1.829 3.032 216 HD2 HIS 31 HD2 HIS 31 0.353 0.405 -0.795 217 HE1 HIS 31 HE1 HIS 31 3.232 0.684 2.308 218 H GLN 32 H GLN 32 -1.295 3.478 -1.260 219 HA GLN 32 HA GLN 32 1.268 3.549 -2.168 220 HB2 GLN 32 1HB GLN 32 -1.148 4.980 -3.276 221 HB3 GLN 32 2HB GLN 32 0.376 4.841 -4.142 222 HG2 GLN 32 1HG GLN 32 0.041 2.282 -3.684 223 HG3 GLN 32 2HG GLN 32 -1.649 2.756 -3.518 224 HE21 GLN 32 1HE2 GLN 32 -2.735 2.427 -5.308 225 HE22 GLN 32 2HE2 GLN 32 -2.153 2.656 -6.918 226 H VAL 33 H VAL 33 -0.678 6.357 -1.202 227 HA VAL 33 HA VAL 33 0.928 8.448 -1.851 228 HB VAL 33 HB VAL 33 -0.528 8.100 0.773 229 HG11 VAL 33 1HG1 VAL 33 -0.446 10.802 -0.043 230 HG12 VAL 33 2HG1 VAL 33 0.298 10.069 1.380 231 HG13 VAL 33 3HG1 VAL 33 1.202 10.181 -0.131 232 HG21 VAL 33 3HG2 VAL 33 -1.482 9.605 -1.645 233 HG22 VAL 33 1HG2 VAL 33 -1.816 7.888 -1.422 234 HG23 VAL 33 2HG2 VAL 33 -2.410 9.062 -0.247 235 H LEU 34 H LEU 34 1.238 6.478 1.098 236 HA LEU 34 HA LEU 34 3.265 7.681 2.415 237 HB2 LEU 34 1HB LEU 34 2.833 4.752 1.901 238 HB3 LEU 34 2HB LEU 34 4.078 5.347 2.997 239 HG LEU 34 HG LEU 34 1.141 5.933 3.332 240 HD11 LEU 34 1HD1 LEU 34 2.571 3.997 5.070 241 HD12 LEU 34 2HD1 LEU 34 2.035 3.450 3.481 242 HD13 LEU 34 3HD1 LEU 34 0.864 4.086 4.636 243 HD21 LEU 34 3HD2 LEU 34 2.398 6.054 5.774 244 HD22 LEU 34 1HD2 LEU 34 1.964 7.434 4.765 245 HD23 LEU 34 2HD2 LEU 34 3.590 6.755 4.678 246 H HIS 35 H HIS 35 3.703 5.420 -0.298 247 HA HIS 35 HA HIS 35 6.498 5.546 -0.404 248 HB2 HIS 35 1HB HIS 35 4.507 5.030 -2.622 249 HB3 HIS 35 2HB HIS 35 6.240 4.740 -2.746 250 HD1 HIS 35 HD1 HIS 35 7.020 3.144 -0.459 251 HD2 HIS 35 HD2 HIS 35 3.253 2.697 -2.154 252 HE1 HIS 35 HE1 HIS 35 6.233 0.861 0.243 253 H MET 36 H MET 36 4.139 7.247 -2.476 254 HA MET 36 HA MET 36 6.219 9.082 -3.351 255 HB2 MET 36 1HB MET 36 4.082 10.040 -4.600 256 HB3 MET 36 2HB MET 36 4.934 8.617 -5.185 257 HG2 MET 36 1HG MET 36 3.310 7.161 -4.208 258 HG3 MET 36 2HG MET 36 2.520 8.512 -3.398 259 HE1 MET 36 3HE MET 36 1.884 10.520 -4.565 260 HE2 MET 36 1HE MET 36 1.930 10.743 -6.314 261 HE3 MET 36 2HE MET 36 0.435 10.234 -5.529 262 H GLY 37 H GLY 37 6.648 10.273 -1.476 263 HA2 GLY 37 1HA GLY 37 5.026 12.570 -1.098 264 HA3 GLY 37 2HA GLY 37 4.795 11.444 0.231 265 H GLN 38 H GLN 38 6.919 10.615 1.200 266 HA GLN 38 HA GLN 38 8.702 12.929 1.536 267 HB2 GLN 38 1HB GLN 38 7.554 12.285 3.580 268 HB3 GLN 38 2HB GLN 38 8.114 10.628 3.405 269 HG2 GLN 38 1HG GLN 38 10.402 11.327 3.742 270 HG3 GLN 38 2HG GLN 38 9.899 13.015 3.817 271 HE21 GLN 38 1HE2 GLN 38 11.349 11.941 5.848 272 HE22 GLN 38 2HE2 GLN 38 10.364 11.775 7.258 273 H LYS 39 H LYS 39 10.816 12.768 1.082 274 HA LYS 39 HA LYS 39 11.860 10.103 0.373 275 HB2 LYS 39 1HB LYS 39 12.244 12.781 -0.928 276 HB3 LYS 39 2HB LYS 39 13.461 11.524 -1.107 277 HG2 LYS 39 1HG LYS 39 12.202 11.126 -2.960 278 HG3 LYS 39 2HG LYS 39 11.381 10.073 -1.806 279 HD2 LYS 39 1HD LYS 39 9.654 11.237 -2.891 280 HD3 LYS 39 2HD LYS 39 9.849 12.062 -1.342 281 HE2 LYS 39 1HE LYS 39 10.815 13.921 -2.303 282 HE3 LYS 39 2HE LYS 39 11.376 13.029 -3.716 283 HZ1 LYS 39 3HZ LYS 39 9.066 12.873 -4.461 284 HZ2 LYS 39 1HZ LYS 39 9.562 14.483 -4.304 285 HZ3 LYS 39 2HZ LYS 39 8.565 13.787 -3.129 286 H ASN 40 H ASN 40 13.656 9.437 1.379 287 HA ASN 40 HA ASN 40 14.646 10.555 3.669 288 HB2 ASN 40 1HB ASN 40 16.384 8.995 1.757 289 HB3 ASN 40 2HB ASN 40 16.489 9.048 3.514 290 HD21 ASN 40 1HD2 ASN 40 14.910 7.673 0.781 291 HD22 ASN 40 2HD2 ASN 40 13.974 6.502 1.640 292 H SER 41 H SER 41 16.350 11.886 4.234 293 HA SER 41 HA SER 41 17.403 13.553 2.048 294 HB2 SER 41 1HB SER 41 17.632 15.349 3.687 295 HB3 SER 41 2HB SER 41 15.975 14.745 3.685 296 HG SER 41 HG SER 41 17.975 14.474 5.622 297 H GLY 42 H GLY 42 18.255 12.039 5.143 298 HA2 GLY 42 1HA GLY 42 20.773 11.159 4.306 299 HA3 GLY 42 2HA GLY 42 20.994 12.715 5.093 300 HA PRO 43 HA PRO 43 21.180 9.373 8.315 301 HB2 PRO 43 1HB PRO 43 23.455 10.289 9.481 302 HB3 PRO 43 2HB PRO 43 23.460 9.175 8.108 303 HG2 PRO 43 1HG PRO 43 23.852 12.143 8.142 304 HG3 PRO 43 2HG PRO 43 24.740 10.907 7.230 305 HD2 PRO 43 1HD PRO 43 22.798 12.427 6.112 306 HD3 PRO 43 2HD PRO 43 23.111 10.755 5.607 307 H SER 44 H SER 44 20.862 12.739 8.171 308 HA SER 44 HA SER 44 21.053 13.774 10.648 309 HB2 SER 44 1HB SER 44 19.365 15.335 10.089 310 HB3 SER 44 2HB SER 44 20.057 14.846 8.542 311 HG SER 44 HG SER 44 17.544 14.743 9.235 312 H SER 45 H SER 45 19.779 13.916 12.520 313 HA SER 45 HA SER 45 18.301 11.484 13.103 314 HB2 SER 45 1HB SER 45 20.056 12.621 14.635 315 HB3 SER 45 2HB SER 45 18.753 13.733 15.051 316 HG SER 45 HG SER 45 19.180 11.490 16.192 317 H GLY 46 H GLY 46 16.390 11.986 14.787 318 HA2 GLY 46 1HA GLY 46 14.322 12.956 15.171 319 HA3 GLY 46 2HA GLY 46 14.770 14.260 14.082 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -10.773 -11.585 -23.275 2 HA2 GLY 1 1HA GLY 1 -8.660 -11.969 -21.307 3 HA3 GLY 1 2HA GLY 1 -9.258 -10.326 -21.483 4 H SER 2 H SER 2 -11.429 -9.859 -20.913 5 HA SER 2 HA SER 2 -12.445 -11.662 -18.852 6 HB2 SER 2 1HB SER 2 -12.141 -9.309 -18.238 7 HB3 SER 2 2HB SER 2 -13.222 -8.816 -19.541 8 HG SER 2 HG SER 2 -14.676 -10.456 -18.287 9 H SER 3 H SER 3 -13.997 -13.054 -19.325 10 HA SER 3 HA SER 3 -15.937 -12.343 -21.427 11 HB2 SER 3 1HB SER 3 -16.071 -14.694 -22.040 12 HB3 SER 3 2HB SER 3 -14.391 -14.165 -22.117 13 HG SER 3 HG SER 3 -15.533 -15.473 -19.875 14 H GLY 4 H GLY 4 -15.397 -14.012 -18.365 15 HA2 GLY 4 1HA GLY 4 -18.168 -14.666 -17.984 16 HA3 GLY 4 2HA GLY 4 -16.887 -14.812 -16.789 17 H SER 5 H SER 5 -17.444 -13.715 -15.034 18 HA SER 5 HA SER 5 -18.749 -11.097 -15.373 19 HB2 SER 5 1HB SER 5 -18.834 -13.028 -13.045 20 HB3 SER 5 2HB SER 5 -19.558 -11.420 -13.031 21 HG SER 5 HG SER 5 -20.199 -13.294 -15.040 22 H SER 6 H SER 6 -16.295 -12.848 -13.516 23 HA SER 6 HA SER 6 -14.531 -12.138 -12.256 24 HB2 SER 6 1HB SER 6 -14.586 -10.118 -14.494 25 HB3 SER 6 2HB SER 6 -13.322 -10.111 -13.264 26 HG SER 6 HG SER 6 -12.420 -11.503 -14.566 27 H GLY 7 H GLY 7 -16.900 -11.454 -11.081 28 HA2 GLY 7 1HA GLY 7 -16.243 -8.832 -9.894 29 HA3 GLY 7 2HA GLY 7 -17.900 -9.257 -10.294 30 H SER 8 H SER 8 -18.673 -11.355 -9.266 31 HA SER 8 HA SER 8 -18.886 -11.160 -6.582 32 HB2 SER 8 1HB SER 8 -19.326 -13.646 -6.554 33 HB3 SER 8 2HB SER 8 -20.243 -12.747 -7.762 34 HG SER 8 HG SER 8 -19.407 -14.090 -9.134 35 H ARG 9 H ARG 9 -16.552 -13.346 -8.167 36 HA ARG 9 HA ARG 9 -15.213 -14.314 -6.006 37 HB2 ARG 9 1HB ARG 9 -14.017 -13.419 -8.634 38 HB3 ARG 9 2HB ARG 9 -13.195 -14.439 -7.461 39 HG2 ARG 9 1HG ARG 9 -15.845 -15.227 -8.611 40 HG3 ARG 9 2HG ARG 9 -14.336 -15.555 -9.464 41 HD2 ARG 9 1HD ARG 9 -14.818 -16.388 -6.614 42 HD3 ARG 9 2HD ARG 9 -15.225 -17.413 -7.989 43 HE ARG 9 HE ARG 9 -12.612 -16.733 -8.390 44 HH11 ARG 9 1HH1 ARG 9 -14.401 -18.234 -5.808 45 HH12 ARG 9 2HH1 ARG 9 -13.065 -19.194 -5.265 46 HH21 ARG 9 1HH2 ARG 9 -10.845 -17.992 -7.685 47 HH22 ARG 9 2HH2 ARG 9 -11.043 -19.055 -6.333 48 H GLU 10 H GLU 10 -13.461 -13.696 -4.734 49 HA GLU 10 HA GLU 10 -13.173 -10.809 -4.424 50 HB2 GLU 10 1HB GLU 10 -12.504 -13.168 -2.683 51 HB3 GLU 10 2HB GLU 10 -11.868 -11.568 -2.331 52 HG2 GLU 10 1HG GLU 10 -14.303 -10.788 -2.414 53 HG3 GLU 10 2HG GLU 10 -14.714 -12.499 -2.311 54 H LYS 11 H LYS 11 -11.467 -9.735 -5.152 55 HA LYS 11 HA LYS 11 -8.954 -11.202 -5.597 56 HB2 LYS 11 1HB LYS 11 -10.344 -9.263 -7.437 57 HB3 LYS 11 2HB LYS 11 -8.627 -9.617 -7.580 58 HG2 LYS 11 1HG LYS 11 -9.467 -12.102 -7.633 59 HG3 LYS 11 2HG LYS 11 -10.977 -11.349 -8.151 60 HD2 LYS 11 1HD LYS 11 -9.847 -11.816 -10.147 61 HD3 LYS 11 2HD LYS 11 -9.545 -10.100 -9.869 62 HE2 LYS 11 1HE LYS 11 -7.462 -10.985 -10.480 63 HE3 LYS 11 2HE LYS 11 -7.390 -10.836 -8.725 64 HZ1 LYS 11 3HZ LYS 11 -7.175 -13.027 -8.488 65 HZ2 LYS 11 1HZ LYS 11 -6.822 -13.075 -10.142 66 HZ3 LYS 11 2HZ LYS 11 -8.397 -13.376 -9.605 67 H SER 12 H SER 12 -7.469 -10.409 -4.270 68 HA SER 12 HA SER 12 -7.694 -7.747 -3.180 69 HB2 SER 12 1HB SER 12 -5.549 -9.850 -2.801 70 HB3 SER 12 2HB SER 12 -5.693 -8.357 -1.873 71 HG SER 12 HG SER 12 -6.975 -10.704 -1.532 72 H HIS 13 H HIS 13 -5.587 -6.428 -3.050 73 HA HIS 13 HA HIS 13 -4.263 -6.425 -5.681 74 HB2 HIS 13 1HB HIS 13 -5.351 -4.086 -4.115 75 HB3 HIS 13 2HB HIS 13 -4.188 -3.895 -5.424 76 HD1 HIS 13 HD1 HIS 13 -5.130 -5.281 -7.731 77 HD2 HIS 13 HD2 HIS 13 -7.863 -3.732 -5.012 78 HE1 HIS 13 HE1 HIS 13 -7.293 -5.074 -8.996 79 H GLN 14 H GLN 14 -2.524 -7.583 -4.707 80 HA GLN 14 HA GLN 14 -1.127 -6.775 -2.423 81 HB2 GLN 14 1HB GLN 14 -0.930 -8.967 -3.726 82 HB3 GLN 14 2HB GLN 14 0.159 -8.102 -4.802 83 HG2 GLN 14 1HG GLN 14 1.664 -7.649 -2.958 84 HG3 GLN 14 2HG GLN 14 0.558 -8.443 -1.839 85 HE21 GLN 14 1HE2 GLN 14 2.419 -9.765 -1.324 86 HE22 GLN 14 2HE2 GLN 14 2.790 -11.129 -2.317 87 H CYS 15 H CYS 15 0.611 -5.447 -2.074 88 HA CYS 15 HA CYS 15 0.990 -3.329 -4.007 89 HB2 CYS 15 1HB CYS 15 0.775 -2.725 -1.667 90 HB3 CYS 15 2HB CYS 15 2.136 -3.758 -1.242 91 H ARG 16 H ARG 16 2.528 -3.303 -5.496 92 HA ARG 16 HA ARG 16 4.759 -5.186 -5.264 93 HB2 ARG 16 1HB ARG 16 3.276 -5.097 -7.327 94 HB3 ARG 16 2HB ARG 16 4.015 -3.541 -7.679 95 HG2 ARG 16 1HG ARG 16 6.176 -4.548 -7.904 96 HG3 ARG 16 2HG ARG 16 5.554 -6.106 -7.355 97 HD2 ARG 16 1HD ARG 16 5.813 -6.051 -9.786 98 HD3 ARG 16 2HD ARG 16 4.124 -6.242 -9.321 99 HE ARG 16 HE ARG 16 4.429 -3.554 -9.640 100 HH11 ARG 16 1HH1 ARG 16 5.020 -6.340 -11.642 101 HH12 ARG 16 2HH1 ARG 16 4.713 -5.501 -13.126 102 HH21 ARG 16 1HH2 ARG 16 4.023 -2.438 -11.587 103 HH22 ARG 16 2HH2 ARG 16 4.147 -3.281 -13.094 104 H GLU 17 H GLU 17 4.949 -3.011 -3.576 105 HA GLU 17 HA GLU 17 7.207 -1.560 -4.774 106 HB2 GLU 17 1HB GLU 17 4.796 -0.455 -3.427 107 HB3 GLU 17 2HB GLU 17 6.338 0.317 -3.084 108 HG2 GLU 17 1HG GLU 17 5.084 -0.053 -5.794 109 HG3 GLU 17 2HG GLU 17 5.216 1.454 -4.889 110 H CYS 18 H CYS 18 5.634 -2.811 -1.895 111 HA CYS 18 HA CYS 18 8.256 -2.873 -0.568 112 HB2 CYS 18 1HB CYS 18 7.097 -2.397 1.596 113 HB3 CYS 18 2HB CYS 18 7.071 -1.048 0.465 114 H GLY 19 H GLY 19 4.919 -4.109 -0.492 115 HA2 GLY 19 1HA GLY 19 4.853 -6.616 -0.814 116 HA3 GLY 19 2HA GLY 19 5.998 -6.667 0.518 117 H GLU 20 H GLU 20 2.721 -5.613 -0.337 118 HA GLU 20 HA GLU 20 1.838 -6.461 2.324 119 HB2 GLU 20 1HB GLU 20 1.458 -3.747 1.099 120 HB3 GLU 20 2HB GLU 20 0.275 -4.384 2.234 121 HG2 GLU 20 1HG GLU 20 3.170 -3.770 2.724 122 HG3 GLU 20 2HG GLU 20 1.755 -3.045 3.484 123 H ILE 21 H ILE 21 -0.662 -6.386 2.399 124 HA ILE 21 HA ILE 21 -1.872 -6.965 -0.195 125 HB ILE 21 HB ILE 21 -1.974 -8.912 2.113 126 HG12 ILE 21 1HG1 ILE 21 -0.827 -9.351 -0.645 127 HG13 ILE 21 2HG1 ILE 21 0.153 -8.831 0.721 128 HG21 ILE 21 1HG2 ILE 21 -3.665 -9.991 1.106 129 HG22 ILE 21 2HG2 ILE 21 -3.945 -8.447 0.304 130 HG23 ILE 21 3HG2 ILE 21 -3.018 -9.708 -0.509 131 HD11 ILE 21 3HD1 ILE 21 0.477 -10.991 1.111 132 HD12 ILE 21 1HD1 ILE 21 -1.183 -11.024 1.703 133 HD13 ILE 21 2HD1 ILE 21 -0.833 -11.466 0.032 134 H PHE 22 H PHE 22 -3.565 -5.648 -0.258 135 HA PHE 22 HA PHE 22 -5.101 -5.193 2.208 136 HB2 PHE 22 1HB PHE 22 -5.122 -3.531 -0.317 137 HB3 PHE 22 2HB PHE 22 -5.867 -3.122 1.225 138 HD1 PHE 22 HD2 PHE 22 -4.144 -3.157 3.265 139 HD2 PHE 22 HD1 PHE 22 -3.126 -2.535 -0.820 140 HE1 PHE 22 HE2 PHE 22 -2.080 -2.011 3.958 141 HE2 PHE 22 HE1 PHE 22 -1.059 -1.388 -0.134 142 HZ PHE 22 HZ PHE 22 -0.535 -1.124 2.257 143 H PHE 23 H PHE 23 -7.491 -4.535 1.584 144 HA PHE 23 HA PHE 23 -8.512 -6.597 -0.258 145 HB2 PHE 23 1HB PHE 23 -9.957 -5.634 2.210 146 HB3 PHE 23 2HB PHE 23 -10.336 -7.034 1.212 147 HD1 PHE 23 HD2 PHE 23 -8.987 -9.065 1.355 148 HD2 PHE 23 HD1 PHE 23 -8.252 -5.722 3.885 149 HE1 PHE 23 HE2 PHE 23 -7.636 -10.489 2.839 150 HE2 PHE 23 HE1 PHE 23 -6.899 -7.140 5.372 151 HZ PHE 23 HZ PHE 23 -6.590 -9.527 4.850 152 H GLN 24 H GLN 24 -9.173 -3.455 1.246 153 HA GLN 24 HA GLN 24 -11.157 -2.863 -0.814 154 HB2 GLN 24 1HB GLN 24 -10.352 -1.446 1.723 155 HB3 GLN 24 2HB GLN 24 -11.464 -0.745 0.555 156 HG2 GLN 24 1HG GLN 24 -12.901 -2.771 0.836 157 HG3 GLN 24 2HG GLN 24 -11.842 -3.259 2.158 158 HE21 GLN 24 1HE2 GLN 24 -14.108 -3.116 3.140 159 HE22 GLN 24 2HE2 GLN 24 -14.504 -1.615 3.897 160 H TYR 25 H TYR 25 -10.766 -1.595 -2.514 161 HA TYR 25 HA TYR 25 -8.235 -0.868 -3.333 162 HB2 TYR 25 1HB TYR 25 -10.234 -0.979 -4.802 163 HB3 TYR 25 2HB TYR 25 -10.813 0.523 -4.089 164 HD1 TYR 25 HD1 TYR 25 -8.189 -0.974 -6.207 165 HD2 TYR 25 HD2 TYR 25 -9.924 2.633 -4.764 166 HE1 TYR 25 HE1 TYR 25 -6.908 0.302 -7.875 167 HE2 TYR 25 HE2 TYR 25 -8.650 3.919 -6.429 168 HH TYR 25 HH TYR 25 -6.306 2.345 -8.565 169 H VAL 26 H VAL 26 -10.590 1.016 -1.501 170 HA VAL 26 HA VAL 26 -9.406 3.516 -1.567 171 HB VAL 26 HB VAL 26 -10.839 2.223 0.757 172 HG11 VAL 26 1HG1 VAL 26 -9.601 4.130 1.541 173 HG12 VAL 26 2HG1 VAL 26 -10.192 5.115 0.202 174 HG13 VAL 26 3HG1 VAL 26 -11.309 4.559 1.449 175 HG21 VAL 26 3HG2 VAL 26 -12.558 4.019 -0.373 176 HG22 VAL 26 1HG2 VAL 26 -11.723 3.370 -1.785 177 HG23 VAL 26 2HG2 VAL 26 -12.561 2.282 -0.679 178 H SER 27 H SER 27 -8.569 0.702 0.362 179 HA SER 27 HA SER 27 -6.774 2.019 2.118 180 HB2 SER 27 1HB SER 27 -7.312 -0.828 1.375 181 HB3 SER 27 2HB SER 27 -5.841 -0.448 2.270 182 HG SER 27 HG SER 27 -7.303 0.695 3.762 183 H LEU 28 H LEU 28 -6.399 0.450 -1.011 184 HA LEU 28 HA LEU 28 -3.562 0.516 -1.059 185 HB2 LEU 28 1HB LEU 28 -5.093 -0.908 -2.482 186 HB3 LEU 28 2HB LEU 28 -5.386 0.535 -3.452 187 HG LEU 28 HG LEU 28 -2.906 0.610 -3.889 188 HD11 LEU 28 1HD1 LEU 28 -2.355 -0.872 -1.930 189 HD12 LEU 28 2HD1 LEU 28 -1.560 -1.287 -3.449 190 HD13 LEU 28 3HD1 LEU 28 -2.944 -2.228 -2.893 191 HD21 LEU 28 3HD2 LEU 28 -4.891 -0.638 -5.221 192 HD22 LEU 28 1HD2 LEU 28 -3.795 -1.992 -4.945 193 HD23 LEU 28 2HD2 LEU 28 -3.224 -0.555 -5.793 194 H ILE 29 H ILE 29 -5.934 2.493 -2.852 195 HA ILE 29 HA ILE 29 -4.264 4.321 -4.000 196 HB ILE 29 HB ILE 29 -6.802 4.188 -4.180 197 HG12 ILE 29 1HG1 ILE 29 -5.708 6.982 -3.846 198 HG13 ILE 29 2HG1 ILE 29 -5.284 5.946 -5.205 199 HG21 ILE 29 1HG2 ILE 29 -7.143 6.353 -2.255 200 HG22 ILE 29 2HG2 ILE 29 -8.142 4.931 -2.553 201 HG23 ILE 29 3HG2 ILE 29 -6.724 4.809 -1.512 202 HD11 ILE 29 3HD1 ILE 29 -7.349 6.117 -6.155 203 HD12 ILE 29 1HD1 ILE 29 -8.158 6.411 -4.616 204 HD13 ILE 29 2HD1 ILE 29 -7.222 7.696 -5.380 205 H GLU 30 H GLU 30 -5.128 4.062 -0.640 206 HA GLU 30 HA GLU 30 -4.039 6.661 0.036 207 HB2 GLU 30 1HB GLU 30 -6.004 5.647 1.226 208 HB3 GLU 30 2HB GLU 30 -4.908 4.448 1.899 209 HG2 GLU 30 1HG GLU 30 -5.446 6.360 3.409 210 HG3 GLU 30 2HG GLU 30 -3.726 6.088 3.133 211 H HIS 31 H HIS 31 -3.219 3.255 0.639 212 HA HIS 31 HA HIS 31 -0.924 3.595 2.137 213 HB2 HIS 31 1HB HIS 31 -1.732 1.391 1.905 214 HB3 HIS 31 2HB HIS 31 -1.717 1.481 0.146 215 HD1 HIS 31 HD1 HIS 31 0.885 1.696 2.926 216 HD2 HIS 31 HD2 HIS 31 0.375 0.139 -0.892 217 HE1 HIS 31 HE1 HIS 31 3.019 0.469 2.410 218 H GLN 32 H GLN 32 -1.328 3.740 -1.364 219 HA GLN 32 HA GLN 32 1.329 3.779 -2.155 220 HB2 GLN 32 1HB GLN 32 -1.142 5.053 -3.296 221 HB3 GLN 32 2HB GLN 32 0.426 5.275 -4.061 222 HG2 GLN 32 1HG GLN 32 -0.494 2.516 -3.434 223 HG3 GLN 32 2HG GLN 32 -1.188 3.362 -4.816 224 HE21 GLN 32 1HE2 GLN 32 -0.092 3.389 -6.666 225 HE22 GLN 32 2HE2 GLN 32 1.532 2.836 -6.873 226 H VAL 33 H VAL 33 -0.697 6.407 -0.955 227 HA VAL 33 HA VAL 33 0.734 8.642 -1.485 228 HB VAL 33 HB VAL 33 -0.478 7.956 1.196 229 HG11 VAL 33 1HG1 VAL 33 1.130 10.120 0.547 230 HG12 VAL 33 2HG1 VAL 33 -0.516 10.747 0.429 231 HG13 VAL 33 3HG1 VAL 33 0.037 9.996 1.926 232 HG21 VAL 33 3HG2 VAL 33 -2.142 9.717 -0.142 233 HG22 VAL 33 1HG2 VAL 33 -1.617 8.591 -1.394 234 HG23 VAL 33 2HG2 VAL 33 -2.401 7.985 0.065 235 H LEU 34 H LEU 34 1.413 6.377 1.170 236 HA LEU 34 HA LEU 34 3.577 7.712 2.298 237 HB2 LEU 34 1HB LEU 34 3.081 4.747 2.082 238 HB3 LEU 34 2HB LEU 34 4.270 5.495 3.147 239 HG LEU 34 HG LEU 34 1.296 5.968 3.325 240 HD11 LEU 34 1HD1 LEU 34 3.049 3.877 4.484 241 HD12 LEU 34 2HD1 LEU 34 1.348 3.807 4.023 242 HD13 LEU 34 3HD1 LEU 34 1.821 4.590 5.531 243 HD21 LEU 34 3HD2 LEU 34 2.929 6.414 5.683 244 HD22 LEU 34 1HD2 LEU 34 1.739 7.465 4.914 245 HD23 LEU 34 2HD2 LEU 34 3.404 7.443 4.331 246 H HIS 35 H HIS 35 3.431 5.554 -0.476 247 HA HIS 35 HA HIS 35 6.251 5.317 -0.808 248 HB2 HIS 35 1HB HIS 35 3.911 4.786 -2.637 249 HB3 HIS 35 2HB HIS 35 5.580 4.542 -3.146 250 HD1 HIS 35 HD1 HIS 35 6.922 2.968 -1.159 251 HD2 HIS 35 HD2 HIS 35 2.848 2.462 -1.799 252 HE1 HIS 35 HE1 HIS 35 6.379 0.684 -0.258 253 H MET 36 H MET 36 3.775 7.220 -2.527 254 HA MET 36 HA MET 36 5.191 8.530 -4.398 255 HB2 MET 36 1HB MET 36 3.053 9.529 -2.546 256 HB3 MET 36 2HB MET 36 3.776 10.611 -3.729 257 HG2 MET 36 1HG MET 36 3.198 8.617 -5.365 258 HG3 MET 36 2HG MET 36 1.993 8.277 -4.125 259 HE1 MET 36 3HE MET 36 -0.167 11.476 -4.066 260 HE2 MET 36 1HE MET 36 0.351 10.018 -3.217 261 HE3 MET 36 2HE MET 36 1.355 11.467 -3.173 262 H GLY 37 H GLY 37 7.180 9.348 -4.307 263 HA2 GLY 37 1HA GLY 37 8.065 10.695 -1.857 264 HA3 GLY 37 2HA GLY 37 9.105 10.127 -3.155 265 H GLN 38 H GLN 38 8.738 12.792 -1.769 266 HA GLN 38 HA GLN 38 7.859 14.498 -3.954 267 HB2 GLN 38 1HB GLN 38 7.399 14.891 -1.444 268 HB3 GLN 38 2HB GLN 38 9.064 15.453 -1.370 269 HG2 GLN 38 1HG GLN 38 7.829 17.395 -1.655 270 HG3 GLN 38 2HG GLN 38 8.421 17.031 -3.275 271 HE21 GLN 38 1HE2 GLN 38 6.863 17.919 -4.495 272 HE22 GLN 38 2HE2 GLN 38 5.198 17.461 -4.451 273 H LYS 39 H LYS 39 9.432 14.153 -5.528 274 HA LYS 39 HA LYS 39 12.222 14.366 -5.010 275 HB2 LYS 39 1HB LYS 39 11.140 13.165 -6.959 276 HB3 LYS 39 2HB LYS 39 10.846 14.746 -7.671 277 HG2 LYS 39 1HG LYS 39 13.617 14.090 -6.831 278 HG3 LYS 39 2HG LYS 39 12.975 13.315 -8.281 279 HD2 LYS 39 1HD LYS 39 12.608 16.251 -7.983 280 HD3 LYS 39 2HD LYS 39 14.221 15.652 -8.377 281 HE2 LYS 39 1HE LYS 39 13.351 15.938 -10.479 282 HE3 LYS 39 2HE LYS 39 12.916 14.256 -10.176 283 HZ1 LYS 39 3HZ LYS 39 10.775 14.758 -10.327 284 HZ2 LYS 39 1HZ LYS 39 11.211 16.308 -10.848 285 HZ3 LYS 39 2HZ LYS 39 10.911 16.020 -9.209 286 H ASN 40 H ASN 40 13.630 16.058 -5.348 287 HA ASN 40 HA ASN 40 12.933 18.604 -4.686 288 HB2 ASN 40 1HB ASN 40 15.278 17.478 -5.144 289 HB3 ASN 40 2HB ASN 40 15.109 18.266 -6.710 290 HD21 ASN 40 1HD2 ASN 40 14.271 20.632 -6.431 291 HD22 ASN 40 2HD2 ASN 40 15.154 21.570 -5.279 292 H SER 41 H SER 41 11.448 19.873 -5.575 293 HA SER 41 HA SER 41 11.044 19.825 -8.472 294 HB2 SER 41 1HB SER 41 8.966 21.042 -8.014 295 HB3 SER 41 2HB SER 41 9.061 19.587 -7.021 296 HG SER 41 HG SER 41 8.505 21.835 -6.081 297 H GLY 42 H GLY 42 10.945 21.770 -9.706 298 HA2 GLY 42 1HA GLY 42 12.005 23.683 -10.446 299 HA3 GLY 42 2HA GLY 42 11.351 24.351 -8.958 300 HA PRO 43 HA PRO 43 15.972 24.762 -8.849 301 HB2 PRO 43 1HB PRO 43 15.959 27.358 -8.052 302 HB3 PRO 43 2HB PRO 43 15.886 26.874 -9.751 303 HG2 PRO 43 1HG PRO 43 13.668 27.707 -7.921 304 HG3 PRO 43 2HG PRO 43 13.954 28.160 -9.612 305 HD2 PRO 43 1HD PRO 43 12.158 26.264 -8.894 306 HD3 PRO 43 2HD PRO 43 13.064 26.193 -10.420 307 H SER 44 H SER 44 13.604 26.197 -6.602 308 HA SER 44 HA SER 44 15.244 25.182 -4.372 309 HB2 SER 44 1HB SER 44 14.694 27.071 -3.069 310 HB3 SER 44 2HB SER 44 15.045 27.731 -4.666 311 HG SER 44 HG SER 44 12.567 27.301 -4.850 312 H SER 45 H SER 45 13.830 25.034 -2.297 313 HA SER 45 HA SER 45 12.015 22.971 -2.604 314 HB2 SER 45 1HB SER 45 12.195 24.996 -0.360 315 HB3 SER 45 2HB SER 45 11.297 23.480 -0.276 316 HG SER 45 HG SER 45 13.186 22.866 0.512 317 H GLY 46 H GLY 46 9.667 23.037 -1.878 318 HA2 GLY 46 1HA GLY 46 7.790 24.795 -1.738 319 HA3 GLY 46 2HA GLY 46 8.336 25.208 -3.357 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -7.344 -28.871 -16.673 2 HA2 GLY 1 1HA GLY 1 -6.721 -30.337 -14.303 3 HA3 GLY 1 2HA GLY 1 -7.996 -29.140 -14.480 4 H SER 2 H SER 2 -8.175 -31.587 -13.018 5 HA SER 2 HA SER 2 -9.727 -33.426 -14.617 6 HB2 SER 2 1HB SER 2 -8.954 -33.340 -11.704 7 HB3 SER 2 2HB SER 2 -10.074 -34.546 -12.336 8 HG SER 2 HG SER 2 -8.277 -35.584 -12.730 9 H SER 3 H SER 3 -10.849 -30.891 -14.670 10 HA SER 3 HA SER 3 -12.748 -29.689 -14.245 11 HB2 SER 3 1HB SER 3 -14.751 -30.897 -14.597 12 HB3 SER 3 2HB SER 3 -13.518 -31.813 -15.464 13 HG SER 3 HG SER 3 -13.730 -33.415 -14.093 14 H GLY 4 H GLY 4 -11.196 -29.943 -11.958 15 HA2 GLY 4 1HA GLY 4 -13.207 -30.371 -9.838 16 HA3 GLY 4 2HA GLY 4 -11.474 -30.542 -9.607 17 H SER 5 H SER 5 -10.187 -28.503 -10.028 18 HA SER 5 HA SER 5 -11.550 -26.297 -8.673 19 HB2 SER 5 1HB SER 5 -8.713 -27.178 -8.929 20 HB3 SER 5 2HB SER 5 -9.020 -25.457 -8.702 21 HG SER 5 HG SER 5 -8.769 -26.886 -6.760 22 H SER 6 H SER 6 -12.588 -25.057 -10.126 23 HA SER 6 HA SER 6 -11.360 -24.433 -12.684 24 HB2 SER 6 1HB SER 6 -13.795 -24.947 -12.510 25 HB3 SER 6 2HB SER 6 -14.003 -23.479 -11.556 26 HG SER 6 HG SER 6 -12.866 -22.505 -13.528 27 H GLY 7 H GLY 7 -9.883 -23.456 -10.538 28 HA2 GLY 7 1HA GLY 7 -8.880 -21.541 -9.767 29 HA3 GLY 7 2HA GLY 7 -9.424 -20.813 -11.271 30 H SER 8 H SER 8 -9.322 -19.080 -9.350 31 HA SER 8 HA SER 8 -12.092 -18.451 -8.819 32 HB2 SER 8 1HB SER 8 -10.142 -19.038 -6.593 33 HB3 SER 8 2HB SER 8 -11.560 -18.018 -6.350 34 HG SER 8 HG SER 8 -12.858 -19.769 -6.964 35 H ARG 9 H ARG 9 -12.396 -16.255 -8.101 36 HA ARG 9 HA ARG 9 -10.407 -14.487 -9.211 37 HB2 ARG 9 1HB ARG 9 -13.035 -14.328 -9.287 38 HB3 ARG 9 2HB ARG 9 -12.822 -13.500 -7.751 39 HG2 ARG 9 1HG ARG 9 -12.933 -11.853 -9.459 40 HG3 ARG 9 2HG ARG 9 -11.262 -11.929 -8.897 41 HD2 ARG 9 1HD ARG 9 -10.532 -13.005 -10.826 42 HD3 ARG 9 2HD ARG 9 -12.156 -13.543 -11.254 43 HE ARG 9 HE ARG 9 -12.044 -10.727 -11.289 44 HH11 ARG 9 1HH1 ARG 9 -10.941 -13.508 -13.070 45 HH12 ARG 9 2HH1 ARG 9 -10.883 -12.675 -14.588 46 HH21 ARG 9 1HH2 ARG 9 -11.972 -9.620 -13.283 47 HH22 ARG 9 2HH2 ARG 9 -11.469 -10.464 -14.708 48 H GLU 10 H GLU 10 -8.678 -13.989 -8.029 49 HA GLU 10 HA GLU 10 -8.225 -14.275 -5.372 50 HB2 GLU 10 1HB GLU 10 -7.215 -11.978 -7.060 51 HB3 GLU 10 2HB GLU 10 -6.499 -12.541 -5.556 52 HG2 GLU 10 1HG GLU 10 -5.142 -13.586 -7.044 53 HG3 GLU 10 2HG GLU 10 -6.382 -14.825 -6.854 54 H LYS 11 H LYS 11 -9.555 -11.360 -6.912 55 HA LYS 11 HA LYS 11 -10.719 -9.589 -6.083 56 HB2 LYS 11 1HB LYS 11 -11.530 -11.735 -4.124 57 HB3 LYS 11 2HB LYS 11 -12.220 -10.118 -4.099 58 HG2 LYS 11 1HG LYS 11 -12.900 -10.488 -6.492 59 HG3 LYS 11 2HG LYS 11 -12.426 -12.176 -6.280 60 HD2 LYS 11 1HD LYS 11 -14.292 -10.929 -4.313 61 HD3 LYS 11 2HD LYS 11 -14.909 -11.421 -5.891 62 HE2 LYS 11 1HE LYS 11 -13.250 -13.330 -4.308 63 HE3 LYS 11 2HE LYS 11 -14.938 -13.081 -3.862 64 HZ1 LYS 11 3HZ LYS 11 -13.879 -14.624 -5.972 65 HZ2 LYS 11 1HZ LYS 11 -14.876 -13.417 -6.614 66 HZ3 LYS 11 2HZ LYS 11 -15.486 -14.491 -5.459 67 H SER 12 H SER 12 -8.073 -9.510 -5.435 68 HA SER 12 HA SER 12 -8.154 -8.129 -2.856 69 HB2 SER 12 1HB SER 12 -6.040 -10.166 -3.603 70 HB3 SER 12 2HB SER 12 -6.012 -9.143 -2.167 71 HG SER 12 HG SER 12 -8.287 -10.694 -2.611 72 H HIS 13 H HIS 13 -6.076 -6.853 -2.520 73 HA HIS 13 HA HIS 13 -4.990 -5.911 -5.086 74 HB2 HIS 13 1HB HIS 13 -6.171 -4.272 -2.854 75 HB3 HIS 13 2HB HIS 13 -5.013 -3.581 -3.987 76 HD1 HIS 13 HD1 HIS 13 -5.866 -4.288 -6.657 77 HD2 HIS 13 HD2 HIS 13 -8.668 -3.669 -3.652 78 HE1 HIS 13 HE1 HIS 13 -8.021 -3.770 -7.844 79 H GLN 14 H GLN 14 -3.027 -6.925 -4.795 80 HA GLN 14 HA GLN 14 -1.534 -6.480 -2.340 81 HB2 GLN 14 1HB GLN 14 -1.513 -8.703 -3.412 82 HB3 GLN 14 2HB GLN 14 -0.766 -7.998 -4.840 83 HG2 GLN 14 1HG GLN 14 1.129 -7.276 -3.342 84 HG3 GLN 14 2HG GLN 14 0.410 -8.291 -2.093 85 HE21 GLN 14 1HE2 GLN 14 1.986 -8.248 -5.200 86 HE22 GLN 14 2HE2 GLN 14 2.413 -9.921 -5.230 87 H CYS 15 H CYS 15 0.252 -5.215 -2.132 88 HA CYS 15 HA CYS 15 0.799 -3.383 -4.357 89 HB2 CYS 15 1HB CYS 15 0.144 -2.353 -2.224 90 HB3 CYS 15 2HB CYS 15 1.497 -3.145 -1.422 91 H ARG 16 H ARG 16 2.446 -3.975 -5.602 92 HA ARG 16 HA ARG 16 4.482 -5.771 -4.798 93 HB2 ARG 16 1HB ARG 16 3.577 -5.107 -7.184 94 HB3 ARG 16 2HB ARG 16 4.865 -3.913 -7.108 95 HG2 ARG 16 1HG ARG 16 6.494 -5.707 -6.734 96 HG3 ARG 16 2HG ARG 16 5.194 -6.894 -6.851 97 HD2 ARG 16 1HD ARG 16 5.822 -4.930 -9.042 98 HD3 ARG 16 2HD ARG 16 6.569 -6.524 -8.943 99 HE ARG 16 HE ARG 16 3.762 -6.766 -8.800 100 HH11 ARG 16 1HH1 ARG 16 6.319 -6.040 -11.048 101 HH12 ARG 16 2HH1 ARG 16 5.445 -6.614 -12.430 102 HH21 ARG 16 1HH2 ARG 16 2.600 -7.524 -10.611 103 HH22 ARG 16 2HH2 ARG 16 3.329 -7.457 -12.180 104 H GLU 17 H GLU 17 4.384 -2.251 -5.187 105 HA GLU 17 HA GLU 17 6.909 -1.421 -4.968 106 HB2 GLU 17 1HB GLU 17 4.647 -0.409 -3.234 107 HB3 GLU 17 2HB GLU 17 6.145 0.455 -3.552 108 HG2 GLU 17 1HG GLU 17 4.065 -0.304 -5.590 109 HG3 GLU 17 2HG GLU 17 4.347 1.306 -4.931 110 H CYS 18 H CYS 18 5.012 -2.540 -2.172 111 HA CYS 18 HA CYS 18 7.553 -2.953 -0.734 112 HB2 CYS 18 1HB CYS 18 6.181 -2.696 1.361 113 HB3 CYS 18 2HB CYS 18 6.334 -1.231 0.396 114 H GLY 19 H GLY 19 4.220 -4.147 -1.089 115 HA2 GLY 19 1HA GLY 19 3.961 -6.535 -1.602 116 HA3 GLY 19 2HA GLY 19 5.243 -6.842 -0.440 117 H GLU 20 H GLU 20 2.267 -4.883 -0.329 118 HA GLU 20 HA GLU 20 1.488 -6.409 2.070 119 HB2 GLU 20 1HB GLU 20 1.528 -3.481 1.541 120 HB3 GLU 20 2HB GLU 20 0.199 -4.113 2.502 121 HG2 GLU 20 1HG GLU 20 2.182 -3.280 3.791 122 HG3 GLU 20 2HG GLU 20 1.655 -4.919 4.171 123 H ILE 21 H ILE 21 -0.476 -7.312 2.060 124 HA ILE 21 HA ILE 21 -2.125 -7.000 -0.309 125 HB ILE 21 HB ILE 21 -2.496 -8.828 2.067 126 HG12 ILE 21 1HG1 ILE 21 -1.513 -9.572 -0.686 127 HG13 ILE 21 2HG1 ILE 21 -0.414 -9.141 0.619 128 HG21 ILE 21 1HG2 ILE 21 -4.600 -8.532 1.025 129 HG22 ILE 21 2HG2 ILE 21 -3.897 -8.641 -0.588 130 HG23 ILE 21 3HG2 ILE 21 -3.971 -10.072 0.440 131 HD11 ILE 21 3HD1 ILE 21 -0.848 -11.607 0.219 132 HD12 ILE 21 1HD1 ILE 21 -0.997 -11.024 1.876 133 HD13 ILE 21 2HD1 ILE 21 -2.444 -11.324 0.913 134 H PHE 22 H PHE 22 -3.833 -5.711 -0.424 135 HA PHE 22 HA PHE 22 -5.108 -4.844 2.088 136 HB2 PHE 22 1HB PHE 22 -4.808 -3.250 -0.467 137 HB3 PHE 22 2HB PHE 22 -5.604 -2.700 1.004 138 HD1 PHE 22 HD2 PHE 22 -4.278 -2.245 3.031 139 HD2 PHE 22 HD1 PHE 22 -2.445 -3.216 -0.686 140 HE1 PHE 22 HE2 PHE 22 -2.134 -1.369 3.863 141 HE2 PHE 22 HE1 PHE 22 -0.298 -2.342 0.141 142 HZ PHE 22 HZ PHE 22 -0.141 -1.416 2.417 143 H PHE 23 H PHE 23 -7.258 -5.088 2.261 144 HA PHE 23 HA PHE 23 -8.643 -6.581 0.243 145 HB2 PHE 23 1HB PHE 23 -8.896 -6.637 2.858 146 HB3 PHE 23 2HB PHE 23 -10.043 -5.332 2.576 147 HD1 PHE 23 HD1 PHE 23 -9.247 -8.779 1.412 148 HD2 PHE 23 HD2 PHE 23 -12.245 -5.847 2.140 149 HE1 PHE 23 HE1 PHE 23 -10.988 -10.433 0.880 150 HE2 PHE 23 HE2 PHE 23 -13.992 -7.497 1.611 151 HZ PHE 23 HZ PHE 23 -13.365 -9.794 0.980 152 H GLN 24 H GLN 24 -9.428 -3.482 1.831 153 HA GLN 24 HA GLN 24 -11.314 -2.741 -0.160 154 HB2 GLN 24 1HB GLN 24 -9.923 -1.080 1.947 155 HB3 GLN 24 2HB GLN 24 -11.269 -0.523 0.961 156 HG2 GLN 24 1HG GLN 24 -11.450 -2.939 2.733 157 HG3 GLN 24 2HG GLN 24 -11.822 -1.310 3.293 158 HE21 GLN 24 1HE2 GLN 24 -13.769 -0.468 2.871 159 HE22 GLN 24 2HE2 GLN 24 -14.989 -1.231 1.915 160 H TYR 25 H TYR 25 -11.160 -0.829 -1.540 161 HA TYR 25 HA TYR 25 -8.591 -0.771 -2.900 162 HB2 TYR 25 1HB TYR 25 -10.867 -0.982 -4.061 163 HB3 TYR 25 2HB TYR 25 -11.073 0.732 -3.717 164 HD1 TYR 25 HD2 TYR 25 -8.874 2.168 -4.401 165 HD2 TYR 25 HD1 TYR 25 -10.099 -1.505 -6.164 166 HE1 TYR 25 HE2 TYR 25 -7.616 2.733 -6.438 167 HE2 TYR 25 HE1 TYR 25 -8.843 -0.951 -8.205 168 HH TYR 25 HH TYR 25 -6.509 1.238 -8.390 169 H VAL 26 H VAL 26 -10.783 1.447 -1.234 170 HA VAL 26 HA VAL 26 -9.351 3.819 -1.725 171 HB VAL 26 HB VAL 26 -11.174 3.094 0.571 172 HG11 VAL 26 1HG1 VAL 26 -9.952 4.884 1.420 173 HG12 VAL 26 2HG1 VAL 26 -9.826 5.671 -0.155 174 HG13 VAL 26 3HG1 VAL 26 -11.366 5.659 0.706 175 HG21 VAL 26 3HG2 VAL 26 -11.616 4.554 -2.028 176 HG22 VAL 26 1HG2 VAL 26 -12.350 3.038 -1.504 177 HG23 VAL 26 2HG2 VAL 26 -12.774 4.549 -0.698 178 H SER 27 H SER 27 -8.742 1.178 0.385 179 HA SER 27 HA SER 27 -7.071 2.640 2.222 180 HB2 SER 27 1HB SER 27 -7.610 -0.302 1.807 181 HB3 SER 27 2HB SER 27 -6.448 0.290 2.994 182 HG SER 27 HG SER 27 -8.038 1.049 4.202 183 H LEU 28 H LEU 28 -6.692 1.298 -0.871 184 HA LEU 28 HA LEU 28 -3.864 0.755 -0.639 185 HB2 LEU 28 1HB LEU 28 -5.130 -0.610 -2.140 186 HB3 LEU 28 2HB LEU 28 -5.756 0.807 -2.980 187 HG LEU 28 HG LEU 28 -3.510 1.272 -3.852 188 HD11 LEU 28 1HD1 LEU 28 -2.811 -1.090 -2.163 189 HD12 LEU 28 2HD1 LEU 28 -1.980 0.456 -2.330 190 HD13 LEU 28 3HD1 LEU 28 -1.886 -0.739 -3.623 191 HD21 LEU 28 3HD2 LEU 28 -4.738 -1.420 -4.353 192 HD22 LEU 28 1HD2 LEU 28 -3.328 -0.863 -5.254 193 HD23 LEU 28 2HD2 LEU 28 -4.839 0.044 -5.333 194 H ILE 29 H ILE 29 -5.869 3.121 -2.393 195 HA ILE 29 HA ILE 29 -3.806 4.641 -3.477 196 HB ILE 29 HB ILE 29 -6.313 4.819 -3.940 197 HG12 ILE 29 1HG1 ILE 29 -4.868 7.443 -3.550 198 HG13 ILE 29 2HG1 ILE 29 -4.490 6.316 -4.848 199 HG21 ILE 29 1HG2 ILE 29 -6.519 5.436 -1.325 200 HG22 ILE 29 2HG2 ILE 29 -6.476 7.052 -2.029 201 HG23 ILE 29 3HG2 ILE 29 -7.710 5.901 -2.540 202 HD11 ILE 29 3HD1 ILE 29 -6.880 6.511 -5.574 203 HD12 ILE 29 1HD1 ILE 29 -7.048 7.824 -4.408 204 HD13 ILE 29 2HD1 ILE 29 -5.911 7.974 -5.748 205 H GLU 30 H GLU 30 -5.143 4.615 -0.252 206 HA GLU 30 HA GLU 30 -3.872 7.067 0.555 207 HB2 GLU 30 1HB GLU 30 -4.915 6.785 2.598 208 HB3 GLU 30 2HB GLU 30 -6.008 5.922 1.525 209 HG2 GLU 30 1HG GLU 30 -5.124 3.812 2.203 210 HG3 GLU 30 2HG GLU 30 -3.832 4.590 3.116 211 H HIS 31 H HIS 31 -2.997 3.744 0.374 212 HA HIS 31 HA HIS 31 -0.816 3.981 2.271 213 HB2 HIS 31 1HB HIS 31 -1.631 1.831 2.374 214 HB3 HIS 31 2HB HIS 31 -2.009 1.776 0.655 215 HD1 HIS 31 HD1 HIS 31 0.601 0.912 3.108 216 HD2 HIS 31 HD2 HIS 31 0.243 1.192 -1.022 217 HE1 HIS 31 HE1 HIS 31 2.599 -0.298 2.176 218 H GLN 32 H GLN 32 -1.007 3.048 -1.171 219 HA GLN 32 HA GLN 32 1.582 3.057 -1.899 220 HB2 GLN 32 1HB GLN 32 0.880 3.903 -4.128 221 HB3 GLN 32 2HB GLN 32 -0.159 2.626 -3.511 222 HG2 GLN 32 1HG GLN 32 -1.903 4.111 -3.045 223 HG3 GLN 32 2HG GLN 32 -0.849 5.519 -3.158 224 HE21 GLN 32 1HE2 GLN 32 -0.165 6.220 -5.216 225 HE22 GLN 32 2HE2 GLN 32 -1.044 5.800 -6.642 226 H VAL 33 H VAL 33 -0.270 5.848 -0.969 227 HA VAL 33 HA VAL 33 1.138 7.952 -2.023 228 HB VAL 33 HB VAL 33 0.029 7.742 0.779 229 HG11 VAL 33 1HG1 VAL 33 1.662 9.583 0.494 230 HG12 VAL 33 2HG1 VAL 33 0.666 10.222 -0.815 231 HG13 VAL 33 3HG1 VAL 33 0.026 10.150 0.827 232 HG21 VAL 33 3HG2 VAL 33 -1.228 7.856 -1.779 233 HG22 VAL 33 1HG2 VAL 33 -1.972 7.807 -0.181 234 HG23 VAL 33 2HG2 VAL 33 -1.558 9.357 -0.914 235 H LEU 34 H LEU 34 1.930 6.098 0.900 236 HA LEU 34 HA LEU 34 4.088 7.517 1.835 237 HB2 LEU 34 1HB LEU 34 3.569 4.558 1.772 238 HB3 LEU 34 2HB LEU 34 4.971 5.251 2.585 239 HG LEU 34 HG LEU 34 2.124 5.961 3.273 240 HD11 LEU 34 1HD1 LEU 34 3.861 4.135 4.889 241 HD12 LEU 34 2HD1 LEU 34 2.834 3.507 3.602 242 HD13 LEU 34 3HD1 LEU 34 2.114 4.368 4.962 243 HD21 LEU 34 3HD2 LEU 34 4.770 6.436 4.637 244 HD22 LEU 34 1HD2 LEU 34 3.197 6.743 5.373 245 HD23 LEU 34 2HD2 LEU 34 3.693 7.649 3.943 246 H HIS 35 H HIS 35 3.964 5.263 -0.862 247 HA HIS 35 HA HIS 35 6.768 5.131 -1.294 248 HB2 HIS 35 1HB HIS 35 4.539 4.666 -3.285 249 HB3 HIS 35 2HB HIS 35 6.205 4.114 -3.435 250 HD1 HIS 35 HD1 HIS 35 6.627 2.898 -0.655 251 HD2 HIS 35 HD2 HIS 35 3.206 2.322 -2.942 252 HE1 HIS 35 HE1 HIS 35 5.608 0.758 0.186 253 H MET 36 H MET 36 4.183 6.995 -2.882 254 HA MET 36 HA MET 36 5.411 8.320 -4.847 255 HB2 MET 36 1HB MET 36 3.731 9.696 -2.743 256 HB3 MET 36 2HB MET 36 4.017 10.275 -4.379 257 HG2 MET 36 1HG MET 36 2.608 7.711 -3.675 258 HG3 MET 36 2HG MET 36 1.814 9.226 -4.100 259 HE1 MET 36 3HE MET 36 1.928 10.398 -6.055 260 HE2 MET 36 1HE MET 36 2.445 9.859 -7.653 261 HE3 MET 36 2HE MET 36 0.926 9.274 -6.975 262 H GLY 37 H GLY 37 7.179 9.515 -5.126 263 HA2 GLY 37 1HA GLY 37 9.039 10.029 -3.124 264 HA3 GLY 37 2HA GLY 37 9.001 10.839 -4.683 265 H GLN 38 H GLN 38 8.884 11.314 -1.417 266 HA GLN 38 HA GLN 38 7.514 13.903 -1.743 267 HB2 GLN 38 1HB GLN 38 6.908 13.774 0.638 268 HB3 GLN 38 2HB GLN 38 6.232 12.436 -0.283 269 HG2 GLN 38 1HG GLN 38 7.678 10.888 0.659 270 HG3 GLN 38 2HG GLN 38 8.825 12.125 1.170 271 HE21 GLN 38 1HE2 GLN 38 8.772 12.724 3.216 272 HE22 GLN 38 2HE2 GLN 38 7.472 12.444 4.320 273 H LYS 39 H LYS 39 10.208 12.163 -0.313 274 HA LYS 39 HA LYS 39 11.350 14.473 0.945 275 HB2 LYS 39 1HB LYS 39 12.652 11.825 0.281 276 HB3 LYS 39 2HB LYS 39 13.260 13.032 1.408 277 HG2 LYS 39 1HG LYS 39 11.327 12.680 2.847 278 HG3 LYS 39 2HG LYS 39 10.692 11.487 1.711 279 HD2 LYS 39 1HD LYS 39 13.402 11.225 2.992 280 HD3 LYS 39 2HD LYS 39 11.934 10.583 3.733 281 HE2 LYS 39 1HE LYS 39 11.634 9.002 2.072 282 HE3 LYS 39 2HE LYS 39 12.589 9.905 0.897 283 HZ1 LYS 39 3HZ LYS 39 14.408 9.370 2.795 284 HZ2 LYS 39 1HZ LYS 39 14.164 8.422 1.414 285 HZ3 LYS 39 2HZ LYS 39 13.441 7.984 2.879 286 H ASN 40 H ASN 40 12.496 12.437 -1.757 287 HA ASN 40 HA ASN 40 14.607 13.806 -2.677 288 HB2 ASN 40 1HB ASN 40 14.015 11.914 -3.925 289 HB3 ASN 40 2HB ASN 40 12.374 12.491 -4.199 290 HD21 ASN 40 1HD2 ASN 40 12.345 12.418 -6.378 291 HD22 ASN 40 2HD2 ASN 40 13.363 13.374 -7.395 292 H SER 41 H SER 41 14.823 15.962 -2.639 293 HA SER 41 HA SER 41 12.668 17.692 -3.521 294 HB2 SER 41 1HB SER 41 14.011 18.297 -1.538 295 HB3 SER 41 2HB SER 41 15.451 18.390 -2.550 296 HG SER 41 HG SER 41 14.066 20.386 -2.046 297 H GLY 42 H GLY 42 12.839 19.209 -5.221 298 HA2 GLY 42 1HA GLY 42 14.851 19.796 -6.917 299 HA3 GLY 42 2HA GLY 42 14.348 18.209 -7.481 300 HA PRO 43 HA PRO 43 11.831 21.294 -9.793 301 HB2 PRO 43 1HB PRO 43 11.946 19.946 -12.146 302 HB3 PRO 43 2HB PRO 43 13.202 21.076 -11.624 303 HG2 PRO 43 1HG PRO 43 13.157 18.087 -11.463 304 HG3 PRO 43 2HG PRO 43 14.484 19.162 -11.940 305 HD2 PRO 43 1HD PRO 43 14.320 18.054 -9.475 306 HD3 PRO 43 2HD PRO 43 15.037 19.654 -9.757 307 H SER 44 H SER 44 9.673 21.172 -10.220 308 HA SER 44 HA SER 44 8.386 18.589 -9.698 309 HB2 SER 44 1HB SER 44 6.383 19.856 -9.176 310 HB3 SER 44 2HB SER 44 7.743 20.541 -8.287 311 HG SER 44 HG SER 44 6.629 22.226 -9.210 312 H SER 45 H SER 45 8.363 21.296 -11.981 313 HA SER 45 HA SER 45 6.370 20.324 -13.697 314 HB2 SER 45 1HB SER 45 7.303 22.648 -13.720 315 HB3 SER 45 2HB SER 45 8.758 22.009 -14.484 316 HG SER 45 HG SER 45 7.683 21.681 -16.308 317 H GLY 46 H GLY 46 6.392 19.003 -15.468 318 HA2 GLY 46 1HA GLY 46 8.922 17.900 -16.410 319 HA3 GLY 46 2HA GLY 46 7.801 16.762 -15.678 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -20.151 -29.861 12.464 2 HA2 GLY 1 1HA GLY 1 -21.549 -28.612 10.423 3 HA3 GLY 1 2HA GLY 1 -21.553 -27.487 11.773 4 H SER 2 H SER 2 -19.679 -28.957 9.273 5 HA SER 2 HA SER 2 -17.217 -27.681 10.186 6 HB2 SER 2 1HB SER 2 -17.850 -29.631 7.976 7 HB3 SER 2 2HB SER 2 -16.289 -28.816 8.073 8 HG SER 2 HG SER 2 -16.015 -29.730 10.139 9 H SER 3 H SER 3 -18.844 -25.693 9.734 10 HA SER 3 HA SER 3 -18.243 -24.725 7.017 11 HB2 SER 3 1HB SER 3 -20.467 -23.828 8.866 12 HB3 SER 3 2HB SER 3 -20.186 -23.253 7.222 13 HG SER 3 HG SER 3 -21.759 -25.122 7.753 14 H GLY 4 H GLY 4 -16.897 -23.056 6.827 15 HA2 GLY 4 1HA GLY 4 -16.429 -21.376 9.213 16 HA3 GLY 4 2HA GLY 4 -15.111 -21.936 8.194 17 H SER 5 H SER 5 -15.420 -19.260 8.708 18 HA SER 5 HA SER 5 -16.946 -17.654 7.156 19 HB2 SER 5 1HB SER 5 -14.111 -17.459 8.069 20 HB3 SER 5 2HB SER 5 -14.689 -16.271 6.900 21 HG SER 5 HG SER 5 -15.836 -16.846 9.433 22 H SER 6 H SER 6 -17.408 -17.561 5.071 23 HA SER 6 HA SER 6 -15.329 -17.896 3.076 24 HB2 SER 6 1HB SER 6 -16.382 -20.196 3.626 25 HB3 SER 6 2HB SER 6 -17.803 -19.585 2.778 26 HG SER 6 HG SER 6 -15.181 -19.703 1.693 27 H GLY 7 H GLY 7 -15.632 -16.527 1.432 28 HA2 GLY 7 1HA GLY 7 -17.761 -15.894 -0.053 29 HA3 GLY 7 2HA GLY 7 -18.073 -14.945 1.392 30 H SER 8 H SER 8 -15.100 -15.657 -0.437 31 HA SER 8 HA SER 8 -14.732 -12.751 -0.762 32 HB2 SER 8 1HB SER 8 -12.597 -14.828 -0.216 33 HB3 SER 8 2HB SER 8 -12.295 -13.122 -0.545 34 HG SER 8 HG SER 8 -12.543 -14.029 1.770 35 H ARG 9 H ARG 9 -14.174 -12.028 -2.747 36 HA ARG 9 HA ARG 9 -14.236 -13.957 -4.920 37 HB2 ARG 9 1HB ARG 9 -15.610 -11.952 -5.115 38 HB3 ARG 9 2HB ARG 9 -14.186 -10.934 -4.937 39 HG2 ARG 9 1HG ARG 9 -14.658 -10.942 -7.229 40 HG3 ARG 9 2HG ARG 9 -13.304 -12.058 -7.035 41 HD2 ARG 9 1HD ARG 9 -14.983 -12.975 -8.544 42 HD3 ARG 9 2HD ARG 9 -14.851 -13.948 -7.080 43 HE ARG 9 HE ARG 9 -16.897 -11.998 -6.826 44 HH11 ARG 9 1HH1 ARG 9 -16.164 -15.059 -8.314 45 HH12 ARG 9 2HH1 ARG 9 -17.817 -15.577 -8.365 46 HH21 ARG 9 1HH2 ARG 9 -19.076 -12.669 -6.888 47 HH22 ARG 9 2HH2 ARG 9 -19.472 -14.217 -7.554 48 H GLU 10 H GLU 10 -12.552 -14.495 -6.198 49 HA GLU 10 HA GLU 10 -9.978 -14.497 -5.445 50 HB2 GLU 10 1HB GLU 10 -11.209 -14.390 -8.170 51 HB3 GLU 10 2HB GLU 10 -9.458 -14.338 -8.018 52 HG2 GLU 10 1HG GLU 10 -9.834 -16.582 -8.280 53 HG3 GLU 10 2HG GLU 10 -9.790 -16.437 -6.524 54 H LYS 11 H LYS 11 -11.419 -11.931 -7.448 55 HA LYS 11 HA LYS 11 -9.393 -10.282 -8.000 56 HB2 LYS 11 1HB LYS 11 -11.784 -9.773 -8.419 57 HB3 LYS 11 2HB LYS 11 -11.967 -9.336 -6.725 58 HG2 LYS 11 1HG LYS 11 -10.207 -7.585 -7.090 59 HG3 LYS 11 2HG LYS 11 -10.317 -7.941 -8.815 60 HD2 LYS 11 1HD LYS 11 -11.790 -6.181 -8.622 61 HD3 LYS 11 2HD LYS 11 -12.875 -7.561 -8.433 62 HE2 LYS 11 1HE LYS 11 -11.600 -6.338 -6.024 63 HE3 LYS 11 2HE LYS 11 -12.990 -5.549 -6.767 64 HZ1 LYS 11 3HZ LYS 11 -12.967 -7.745 -5.032 65 HZ2 LYS 11 1HZ LYS 11 -13.561 -8.275 -6.524 66 HZ3 LYS 11 2HZ LYS 11 -14.302 -6.977 -5.732 67 H SER 12 H SER 12 -7.650 -9.796 -6.842 68 HA SER 12 HA SER 12 -8.033 -8.908 -4.057 69 HB2 SER 12 1HB SER 12 -5.762 -10.530 -5.225 70 HB3 SER 12 2HB SER 12 -5.721 -9.798 -3.621 71 HG SER 12 HG SER 12 -6.432 -12.040 -3.706 72 H HIS 13 H HIS 13 -6.081 -7.586 -3.291 73 HA HIS 13 HA HIS 13 -4.908 -5.968 -5.424 74 HB2 HIS 13 1HB HIS 13 -6.684 -4.930 -3.224 75 HB3 HIS 13 2HB HIS 13 -5.496 -3.898 -4.014 76 HD1 HIS 13 HD1 HIS 13 -5.807 -4.368 -6.892 77 HD2 HIS 13 HD2 HIS 13 -9.081 -4.415 -4.335 78 HE1 HIS 13 HE1 HIS 13 -7.805 -3.919 -8.351 79 H GLN 14 H GLN 14 -2.803 -6.237 -5.051 80 HA GLN 14 HA GLN 14 -1.833 -5.889 -2.291 81 HB2 GLN 14 1HB GLN 14 -1.618 -8.226 -3.178 82 HB3 GLN 14 2HB GLN 14 -0.541 -7.599 -4.418 83 HG2 GLN 14 1HG GLN 14 0.909 -6.728 -2.552 84 HG3 GLN 14 2HG GLN 14 -0.095 -7.669 -1.450 85 HE21 GLN 14 1HE2 GLN 14 -0.288 -10.001 -1.966 86 HE22 GLN 14 2HE2 GLN 14 1.113 -10.811 -2.571 87 H CYS 15 H CYS 15 0.310 -4.969 -2.081 88 HA CYS 15 HA CYS 15 0.800 -2.963 -4.153 89 HB2 CYS 15 1HB CYS 15 0.586 -2.002 -1.987 90 HB3 CYS 15 2HB CYS 15 1.664 -3.197 -1.273 91 H ARG 16 H ARG 16 2.947 -2.517 -4.894 92 HA ARG 16 HA ARG 16 4.664 -4.908 -4.871 93 HB2 ARG 16 1HB ARG 16 3.699 -4.204 -7.074 94 HB3 ARG 16 2HB ARG 16 4.603 -2.701 -6.934 95 HG2 ARG 16 1HG ARG 16 6.691 -3.889 -7.000 96 HG3 ARG 16 2HG ARG 16 5.850 -5.440 -6.970 97 HD2 ARG 16 1HD ARG 16 6.552 -4.938 -9.226 98 HD3 ARG 16 2HD ARG 16 4.793 -4.876 -9.123 99 HE ARG 16 HE ARG 16 6.061 -2.322 -8.768 100 HH11 ARG 16 1HH1 ARG 16 4.826 -4.609 -11.085 101 HH12 ARG 16 2HH1 ARG 16 4.554 -3.416 -12.312 102 HH21 ARG 16 1HH2 ARG 16 5.708 -0.743 -10.376 103 HH22 ARG 16 2HH2 ARG 16 5.057 -1.218 -11.908 104 H GLU 17 H GLU 17 4.593 -1.419 -4.497 105 HA GLU 17 HA GLU 17 7.237 -0.736 -4.464 106 HB2 GLU 17 1HB GLU 17 4.862 0.224 -2.942 107 HB3 GLU 17 2HB GLU 17 6.446 0.791 -2.434 108 HG2 GLU 17 1HG GLU 17 5.180 2.245 -4.068 109 HG3 GLU 17 2HG GLU 17 6.849 1.854 -4.480 110 H CYS 18 H CYS 18 5.414 -2.341 -1.901 111 HA CYS 18 HA CYS 18 7.969 -3.024 -0.616 112 HB2 CYS 18 1HB CYS 18 6.929 -2.752 1.595 113 HB3 CYS 18 2HB CYS 18 6.933 -1.237 0.696 114 H GLY 19 H GLY 19 4.532 -3.795 -0.995 115 HA2 GLY 19 1HA GLY 19 3.916 -6.048 -1.642 116 HA3 GLY 19 2HA GLY 19 5.241 -6.638 -0.650 117 H GLU 20 H GLU 20 1.958 -5.516 -0.689 118 HA GLU 20 HA GLU 20 1.459 -6.794 1.844 119 HB2 GLU 20 1HB GLU 20 1.229 -3.804 1.538 120 HB3 GLU 20 2HB GLU 20 0.346 -4.696 2.770 121 HG2 GLU 20 1HG GLU 20 2.679 -5.619 3.415 122 HG3 GLU 20 2HG GLU 20 3.283 -4.228 2.516 123 H ILE 21 H ILE 21 -0.778 -7.098 2.272 124 HA ILE 21 HA ILE 21 -2.501 -6.598 -0.067 125 HB ILE 21 HB ILE 21 -2.753 -8.897 1.872 126 HG12 ILE 21 1HG1 ILE 21 -1.775 -9.070 -0.974 127 HG13 ILE 21 2HG1 ILE 21 -0.669 -8.874 0.381 128 HG21 ILE 21 1HG2 ILE 21 -4.409 -7.843 -0.270 129 HG22 ILE 21 2HG2 ILE 21 -4.020 -9.548 -0.487 130 HG23 ILE 21 3HG2 ILE 21 -4.802 -9.005 0.997 131 HD11 ILE 21 3HD1 ILE 21 -1.470 -10.958 1.346 132 HD12 ILE 21 1HD1 ILE 21 -2.598 -11.152 0.003 133 HD13 ILE 21 2HD1 ILE 21 -0.859 -11.201 -0.291 134 H PHE 22 H PHE 22 -4.093 -5.219 0.310 135 HA PHE 22 HA PHE 22 -4.990 -4.798 3.071 136 HB2 PHE 22 1HB PHE 22 -5.375 -3.096 0.598 137 HB3 PHE 22 2HB PHE 22 -5.976 -2.694 2.203 138 HD1 PHE 22 HD1 PHE 22 -2.751 -3.738 0.635 139 HD2 PHE 22 HD2 PHE 22 -4.744 -1.173 3.385 140 HE1 PHE 22 HE1 PHE 22 -0.612 -2.637 1.153 141 HE2 PHE 22 HE2 PHE 22 -2.609 -0.067 3.907 142 HZ PHE 22 HZ PHE 22 -0.540 -0.798 2.789 143 H PHE 23 H PHE 23 -7.348 -4.272 3.329 144 HA PHE 23 HA PHE 23 -8.897 -6.379 2.086 145 HB2 PHE 23 1HB PHE 23 -9.357 -4.479 4.363 146 HB3 PHE 23 2HB PHE 23 -10.708 -5.365 3.664 147 HD1 PHE 23 HD1 PHE 23 -7.208 -6.471 4.245 148 HD2 PHE 23 HD2 PHE 23 -11.313 -6.907 5.285 149 HE1 PHE 23 HE1 PHE 23 -6.645 -8.419 5.638 150 HE2 PHE 23 HE2 PHE 23 -10.756 -8.855 6.680 151 HZ PHE 23 HZ PHE 23 -8.420 -9.613 6.859 152 H GLN 24 H GLN 24 -9.198 -2.849 2.460 153 HA GLN 24 HA GLN 24 -11.194 -2.810 0.325 154 HB2 GLN 24 1HB GLN 24 -10.398 -0.944 2.504 155 HB3 GLN 24 2HB GLN 24 -11.071 -0.244 1.037 156 HG2 GLN 24 1HG GLN 24 -13.136 -1.182 1.370 157 HG3 GLN 24 2HG GLN 24 -12.499 -2.501 2.351 158 HE21 GLN 24 1HE2 GLN 24 -13.584 -2.312 4.201 159 HE22 GLN 24 2HE2 GLN 24 -13.639 -0.893 5.184 160 H TYR 25 H TYR 25 -11.009 -0.839 -1.181 161 HA TYR 25 HA TYR 25 -8.421 -1.016 -2.473 162 HB2 TYR 25 1HB TYR 25 -10.519 -1.168 -3.784 163 HB3 TYR 25 2HB TYR 25 -10.905 0.487 -3.326 164 HD1 TYR 25 HD1 TYR 25 -8.596 -1.622 -5.284 165 HD2 TYR 25 HD2 TYR 25 -9.877 2.342 -4.423 166 HE1 TYR 25 HE1 TYR 25 -7.333 -0.799 -7.227 167 HE2 TYR 25 HE2 TYR 25 -8.619 3.177 -6.364 168 HH TYR 25 HH TYR 25 -7.043 0.982 -8.614 169 H VAL 26 H VAL 26 -10.525 1.562 -1.212 170 HA VAL 26 HA VAL 26 -8.853 3.729 -1.711 171 HB VAL 26 HB VAL 26 -10.789 3.339 0.575 172 HG11 VAL 26 1HG1 VAL 26 -9.917 5.220 1.399 173 HG12 VAL 26 2HG1 VAL 26 -8.961 5.508 -0.056 174 HG13 VAL 26 3HG1 VAL 26 -10.642 6.039 0.017 175 HG21 VAL 26 3HG2 VAL 26 -11.489 5.135 -1.626 176 HG22 VAL 26 1HG2 VAL 26 -11.325 3.445 -2.102 177 HG23 VAL 26 2HG2 VAL 26 -12.452 3.895 -0.822 178 H SER 27 H SER 27 -8.550 1.202 0.597 179 HA SER 27 HA SER 27 -6.847 2.636 2.416 180 HB2 SER 27 1HB SER 27 -6.617 0.553 3.585 181 HB3 SER 27 2HB SER 27 -8.297 0.671 3.059 182 HG SER 27 HG SER 27 -7.826 -1.278 2.342 183 H LEU 28 H LEU 28 -6.438 0.689 -0.436 184 HA LEU 28 HA LEU 28 -3.593 0.344 -0.047 185 HB2 LEU 28 1HB LEU 28 -4.657 -1.443 -1.147 186 HB3 LEU 28 2HB LEU 28 -5.506 -0.362 -2.250 187 HG LEU 28 HG LEU 28 -3.174 0.198 -3.175 188 HD11 LEU 28 1HD1 LEU 28 -2.374 -2.502 -2.231 189 HD12 LEU 28 2HD1 LEU 28 -2.195 -1.144 -1.121 190 HD13 LEU 28 3HD1 LEU 28 -1.380 -1.118 -2.685 191 HD21 LEU 28 3HD2 LEU 28 -5.000 -1.972 -3.685 192 HD22 LEU 28 1HD2 LEU 28 -3.352 -2.418 -4.128 193 HD23 LEU 28 2HD2 LEU 28 -4.092 -0.976 -4.823 194 H ILE 29 H ILE 29 -5.635 2.010 -2.450 195 HA ILE 29 HA ILE 29 -3.752 3.270 -3.956 196 HB ILE 29 HB ILE 29 -6.275 3.432 -4.185 197 HG12 ILE 29 1HG1 ILE 29 -4.780 6.044 -4.472 198 HG13 ILE 29 2HG1 ILE 29 -4.588 4.682 -5.570 199 HG21 ILE 29 1HG2 ILE 29 -6.494 4.348 -1.809 200 HG22 ILE 29 2HG2 ILE 29 -6.014 5.898 -2.497 201 HG23 ILE 29 3HG2 ILE 29 -7.480 5.098 -3.064 202 HD11 ILE 29 3HD1 ILE 29 -6.883 4.846 -6.252 203 HD12 ILE 29 1HD1 ILE 29 -7.189 6.101 -5.052 204 HD13 ILE 29 2HD1 ILE 29 -6.114 6.425 -6.413 205 H GLU 30 H GLU 30 -4.862 4.209 -0.743 206 HA GLU 30 HA GLU 30 -3.442 6.674 -0.659 207 HB2 GLU 30 1HB GLU 30 -5.384 6.180 0.788 208 HB3 GLU 30 2HB GLU 30 -4.434 4.961 1.627 209 HG2 GLU 30 1HG GLU 30 -4.539 7.013 2.909 210 HG3 GLU 30 2HG GLU 30 -2.887 6.679 2.394 211 H HIS 31 H HIS 31 -2.803 3.479 0.778 212 HA HIS 31 HA HIS 31 -0.405 4.028 2.032 213 HB2 HIS 31 1HB HIS 31 -1.228 1.911 2.498 214 HB3 HIS 31 2HB HIS 31 -1.566 1.556 0.806 215 HD1 HIS 31 HD1 HIS 31 1.015 1.203 3.414 216 HD2 HIS 31 HD2 HIS 31 0.734 0.758 -0.707 217 HE1 HIS 31 HE1 HIS 31 3.064 -0.088 2.736 218 H GLN 32 H GLN 32 -0.988 3.197 -1.354 219 HA GLN 32 HA GLN 32 1.678 2.927 -2.161 220 HB2 GLN 32 1HB GLN 32 -0.705 3.890 -3.752 221 HB3 GLN 32 2HB GLN 32 0.831 3.385 -4.442 222 HG2 GLN 32 1HG GLN 32 -0.820 1.566 -2.722 223 HG3 GLN 32 2HG GLN 32 -1.067 1.702 -4.462 224 HE21 GLN 32 1HE2 GLN 32 -0.541 -0.606 -4.372 225 HE22 GLN 32 2HE2 GLN 32 1.120 -1.078 -4.430 226 H VAL 33 H VAL 33 -0.284 5.748 -1.587 227 HA VAL 33 HA VAL 33 1.286 7.637 -2.980 228 HB VAL 33 HB VAL 33 -0.498 8.030 -0.574 229 HG11 VAL 33 1HG1 VAL 33 0.873 9.983 -2.399 230 HG12 VAL 33 2HG1 VAL 33 -0.574 10.412 -1.484 231 HG13 VAL 33 3HG1 VAL 33 0.893 9.921 -0.637 232 HG21 VAL 33 3HG2 VAL 33 -2.266 8.160 -1.963 233 HG22 VAL 33 1HG2 VAL 33 -1.338 8.953 -3.236 234 HG23 VAL 33 2HG2 VAL 33 -1.249 7.202 -3.040 235 H LEU 34 H LEU 34 1.327 6.526 0.387 236 HA LEU 34 HA LEU 34 3.123 8.238 1.525 237 HB2 LEU 34 1HB LEU 34 2.835 5.264 1.878 238 HB3 LEU 34 2HB LEU 34 3.881 6.254 2.894 239 HG LEU 34 HG LEU 34 0.916 6.717 2.636 240 HD11 LEU 34 1HD1 LEU 34 0.653 4.809 3.762 241 HD12 LEU 34 2HD1 LEU 34 1.345 5.673 5.135 242 HD13 LEU 34 3HD1 LEU 34 2.377 4.672 4.113 243 HD21 LEU 34 3HD2 LEU 34 2.891 8.329 3.635 244 HD22 LEU 34 1HD2 LEU 34 2.329 7.479 5.075 245 HD23 LEU 34 2HD2 LEU 34 1.188 8.395 4.090 246 H HIS 35 H HIS 35 3.982 5.216 -0.164 247 HA HIS 35 HA HIS 35 6.649 5.137 -0.041 248 HB2 HIS 35 1HB HIS 35 4.914 4.767 -2.479 249 HB3 HIS 35 2HB HIS 35 6.640 4.417 -2.492 250 HD1 HIS 35 HD1 HIS 35 7.062 2.908 0.056 251 HD2 HIS 35 HD2 HIS 35 3.705 2.357 -2.328 252 HE1 HIS 35 HE1 HIS 35 6.191 0.622 0.639 253 H MET 36 H MET 36 4.936 7.170 -2.420 254 HA MET 36 HA MET 36 7.413 8.687 -2.825 255 HB2 MET 36 1HB MET 36 6.377 9.555 -4.842 256 HB3 MET 36 2HB MET 36 6.284 7.799 -4.832 257 HG2 MET 36 1HG MET 36 3.928 8.297 -3.739 258 HG3 MET 36 2HG MET 36 4.129 9.818 -4.606 259 HE1 MET 36 3HE MET 36 1.604 8.075 -5.440 260 HE2 MET 36 1HE MET 36 2.168 9.622 -6.074 261 HE3 MET 36 2HE MET 36 1.795 8.300 -7.179 262 H GLY 37 H GLY 37 6.826 11.116 -3.437 263 HA2 GLY 37 1HA GLY 37 4.720 12.263 -1.834 264 HA3 GLY 37 2HA GLY 37 6.327 12.523 -1.171 265 H GLN 38 H GLN 38 5.798 14.806 -1.474 266 HA GLN 38 HA GLN 38 6.944 15.802 -3.890 267 HB2 GLN 38 1HB GLN 38 5.012 17.120 -4.643 268 HB3 GLN 38 2HB GLN 38 4.693 15.393 -4.730 269 HG2 GLN 38 1HG GLN 38 3.167 15.446 -3.020 270 HG3 GLN 38 2HG GLN 38 3.866 16.894 -2.297 271 HE21 GLN 38 1HE2 GLN 38 1.185 15.848 -3.662 272 HE22 GLN 38 2HE2 GLN 38 0.646 17.270 -4.483 273 H LYS 39 H LYS 39 7.103 18.185 -3.880 274 HA LYS 39 HA LYS 39 6.895 19.292 -1.157 275 HB2 LYS 39 1HB LYS 39 9.221 18.811 -1.572 276 HB3 LYS 39 2HB LYS 39 9.154 19.607 -3.139 277 HG2 LYS 39 1HG LYS 39 9.210 21.705 -2.233 278 HG3 LYS 39 2HG LYS 39 8.482 21.187 -0.711 279 HD2 LYS 39 1HD LYS 39 10.739 21.678 -0.215 280 HD3 LYS 39 2HD LYS 39 10.632 19.918 -0.274 281 HE2 LYS 39 1HE LYS 39 12.594 20.496 -1.457 282 HE3 LYS 39 2HE LYS 39 11.393 20.079 -2.678 283 HZ1 LYS 39 3HZ LYS 39 11.013 22.379 -3.118 284 HZ2 LYS 39 1HZ LYS 39 12.683 22.111 -3.186 285 HZ3 LYS 39 2HZ LYS 39 12.000 22.857 -1.830 286 H ASN 40 H ASN 40 5.960 21.243 -0.980 287 HA ASN 40 HA ASN 40 5.857 23.075 -3.212 288 HB2 ASN 40 1HB ASN 40 3.886 21.312 -3.309 289 HB3 ASN 40 2HB ASN 40 3.182 22.363 -2.084 290 HD21 ASN 40 1HD2 ASN 40 1.984 21.982 -4.527 291 HD22 ASN 40 2HD2 ASN 40 2.053 23.450 -5.435 292 H SER 41 H SER 41 4.745 25.126 -2.606 293 HA SER 41 HA SER 41 5.731 26.130 -0.199 294 HB2 SER 41 1HB SER 41 3.695 27.130 -2.170 295 HB3 SER 41 2HB SER 41 3.998 28.018 -0.676 296 HG SER 41 HG SER 41 5.322 28.344 -2.803 297 H GLY 42 H GLY 42 2.420 25.150 -1.055 298 HA2 GLY 42 1HA GLY 42 0.685 24.432 0.272 299 HA3 GLY 42 2HA GLY 42 1.855 24.219 1.566 300 HA PRO 43 HA PRO 43 -0.909 28.148 1.994 301 HB2 PRO 43 1HB PRO 43 -3.089 27.142 3.263 302 HB3 PRO 43 2HB PRO 43 -2.991 27.307 1.505 303 HG2 PRO 43 1HG PRO 43 -2.556 24.883 3.207 304 HG3 PRO 43 2HG PRO 43 -3.435 25.031 1.675 305 HD2 PRO 43 1HD PRO 43 -0.915 24.053 1.819 306 HD3 PRO 43 2HD PRO 43 -1.506 24.966 0.416 307 H SER 44 H SER 44 -1.475 29.153 4.061 308 HA SER 44 HA SER 44 0.311 28.288 6.147 309 HB2 SER 44 1HB SER 44 -1.426 30.685 5.688 310 HB3 SER 44 2HB SER 44 -0.819 30.360 7.312 311 HG SER 44 HG SER 44 0.994 30.259 5.191 312 H SER 45 H SER 45 -0.638 28.591 8.495 313 HA SER 45 HA SER 45 -2.097 26.415 9.182 314 HB2 SER 45 1HB SER 45 -1.767 29.089 10.484 315 HB3 SER 45 2HB SER 45 -2.902 27.936 11.185 316 HG SER 45 HG SER 45 -0.874 26.476 10.828 317 H GLY 46 H GLY 46 -4.028 25.722 8.562 318 HA2 GLY 46 1HA GLY 46 -6.435 26.992 9.041 319 HA3 GLY 46 2HA GLY 46 -5.988 27.434 7.400 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -0.893 -29.917 -15.200 2 HA2 GLY 1 1HA GLY 1 -1.436 -29.039 -12.698 3 HA3 GLY 1 2HA GLY 1 -2.428 -28.599 -14.080 4 H SER 2 H SER 2 -2.440 -30.000 -11.063 5 HA SER 2 HA SER 2 -4.592 -31.871 -11.514 6 HB2 SER 2 1HB SER 2 -2.709 -31.925 -9.681 7 HB3 SER 2 2HB SER 2 -3.824 -30.892 -8.788 8 HG SER 2 HG SER 2 -4.643 -32.758 -8.230 9 H SER 3 H SER 3 -4.254 -28.851 -9.647 10 HA SER 3 HA SER 3 -6.865 -27.964 -10.466 11 HB2 SER 3 1HB SER 3 -6.378 -28.738 -7.581 12 HB3 SER 3 2HB SER 3 -7.751 -27.781 -8.136 13 HG SER 3 HG SER 3 -8.227 -30.032 -7.956 14 H GLY 4 H GLY 4 -7.353 -25.791 -9.709 15 HA2 GLY 4 1HA GLY 4 -5.316 -24.320 -8.290 16 HA3 GLY 4 2HA GLY 4 -5.376 -23.958 -10.009 17 H SER 5 H SER 5 -5.790 -21.860 -8.510 18 HA SER 5 HA SER 5 -8.619 -21.544 -7.922 19 HB2 SER 5 1HB SER 5 -8.035 -19.473 -6.904 20 HB3 SER 5 2HB SER 5 -6.752 -20.602 -6.469 21 HG SER 5 HG SER 5 -5.791 -19.645 -8.564 22 H SER 6 H SER 6 -8.097 -22.043 -10.622 23 HA SER 6 HA SER 6 -8.283 -19.467 -11.980 24 HB2 SER 6 1HB SER 6 -7.929 -20.651 -14.011 25 HB3 SER 6 2HB SER 6 -6.850 -21.398 -12.834 26 HG SER 6 HG SER 6 -8.861 -22.841 -12.541 27 H GLY 7 H GLY 7 -10.213 -18.550 -12.160 28 HA2 GLY 7 1HA GLY 7 -12.358 -18.947 -13.467 29 HA3 GLY 7 2HA GLY 7 -12.582 -20.300 -12.367 30 H SER 8 H SER 8 -12.346 -19.590 -9.959 31 HA SER 8 HA SER 8 -14.500 -17.959 -9.330 32 HB2 SER 8 1HB SER 8 -13.800 -18.120 -7.042 33 HB3 SER 8 2HB SER 8 -13.384 -19.647 -7.819 34 HG SER 8 HG SER 8 -11.550 -19.133 -6.815 35 H ARG 9 H ARG 9 -14.527 -15.908 -8.157 36 HA ARG 9 HA ARG 9 -13.154 -13.882 -9.549 37 HB2 ARG 9 1HB ARG 9 -14.953 -13.990 -7.179 38 HB3 ARG 9 2HB ARG 9 -14.005 -12.529 -7.415 39 HG2 ARG 9 1HG ARG 9 -15.768 -13.711 -9.544 40 HG3 ARG 9 2HG ARG 9 -16.314 -12.495 -8.388 41 HD2 ARG 9 1HD ARG 9 -13.840 -12.008 -9.986 42 HD3 ARG 9 2HD ARG 9 -15.418 -11.782 -10.739 43 HE ARG 9 HE ARG 9 -15.206 -10.438 -8.226 44 HH11 ARG 9 1HH1 ARG 9 -14.426 -10.223 -11.612 45 HH12 ARG 9 2HH1 ARG 9 -14.378 -8.491 -11.625 46 HH21 ARG 9 1HH2 ARG 9 -15.144 -8.158 -8.230 47 HH22 ARG 9 2HH2 ARG 9 -14.785 -7.317 -9.700 48 H GLU 10 H GLU 10 -12.012 -12.069 -8.184 49 HA GLU 10 HA GLU 10 -9.922 -13.384 -6.575 50 HB2 GLU 10 1HB GLU 10 -9.767 -11.210 -8.635 51 HB3 GLU 10 2HB GLU 10 -8.549 -11.313 -7.372 52 HG2 GLU 10 1HG GLU 10 -9.238 -13.582 -9.219 53 HG3 GLU 10 2HG GLU 10 -7.941 -12.427 -9.517 54 H LYS 11 H LYS 11 -11.264 -10.127 -7.152 55 HA LYS 11 HA LYS 11 -11.558 -8.354 -5.739 56 HB2 LYS 11 1HB LYS 11 -12.682 -10.715 -4.273 57 HB3 LYS 11 2HB LYS 11 -12.676 -9.133 -3.504 58 HG2 LYS 11 1HG LYS 11 -13.789 -9.405 -6.254 59 HG3 LYS 11 2HG LYS 11 -14.745 -9.946 -4.872 60 HD2 LYS 11 1HD LYS 11 -15.438 -7.769 -5.005 61 HD3 LYS 11 2HD LYS 11 -14.061 -7.581 -3.917 62 HE2 LYS 11 1HE LYS 11 -12.742 -6.617 -5.538 63 HE3 LYS 11 2HE LYS 11 -13.623 -7.381 -6.860 64 HZ1 LYS 11 3HZ LYS 11 -14.099 -4.862 -5.553 65 HZ2 LYS 11 1HZ LYS 11 -15.496 -5.800 -5.728 66 HZ3 LYS 11 2HZ LYS 11 -14.576 -5.392 -7.087 67 H SER 12 H SER 12 -8.923 -9.187 -5.733 68 HA SER 12 HA SER 12 -8.134 -8.442 -3.017 69 HB2 SER 12 1HB SER 12 -6.824 -10.732 -4.498 70 HB3 SER 12 2HB SER 12 -6.446 -10.168 -2.871 71 HG SER 12 HG SER 12 -8.897 -10.656 -2.634 72 H HIS 13 H HIS 13 -5.975 -7.572 -2.881 73 HA HIS 13 HA HIS 13 -4.792 -6.793 -5.452 74 HB2 HIS 13 1HB HIS 13 -5.605 -4.965 -3.200 75 HB3 HIS 13 2HB HIS 13 -4.368 -4.504 -4.366 76 HD1 HIS 13 HD1 HIS 13 -5.368 -4.946 -7.007 77 HD2 HIS 13 HD2 HIS 13 -8.005 -4.000 -3.939 78 HE1 HIS 13 HE1 HIS 13 -7.428 -4.058 -8.142 79 H GLN 14 H GLN 14 -2.608 -5.620 -4.986 80 HA GLN 14 HA GLN 14 -1.229 -6.497 -2.613 81 HB2 GLN 14 1HB GLN 14 -1.290 -8.472 -4.271 82 HB3 GLN 14 2HB GLN 14 -0.154 -7.528 -5.225 83 HG2 GLN 14 1HG GLN 14 1.419 -7.507 -3.383 84 HG3 GLN 14 2HG GLN 14 0.272 -8.384 -2.372 85 HE21 GLN 14 1HE2 GLN 14 0.866 -10.406 -2.132 86 HE22 GLN 14 2HE2 GLN 14 1.551 -11.424 -3.348 87 H CYS 15 H CYS 15 0.504 -5.236 -2.169 88 HA CYS 15 HA CYS 15 0.944 -2.945 -3.868 89 HB2 CYS 15 1HB CYS 15 0.885 -2.480 -1.539 90 HB3 CYS 15 2HB CYS 15 2.022 -3.774 -1.176 91 H ARG 16 H ARG 16 2.420 -2.826 -5.414 92 HA ARG 16 HA ARG 16 4.570 -4.816 -5.479 93 HB2 ARG 16 1HB ARG 16 3.499 -2.972 -7.622 94 HB3 ARG 16 2HB ARG 16 4.844 -4.083 -7.847 95 HG2 ARG 16 1HG ARG 16 3.103 -5.294 -8.713 96 HG3 ARG 16 2HG ARG 16 3.129 -5.876 -7.048 97 HD2 ARG 16 1HD ARG 16 0.890 -5.443 -7.329 98 HD3 ARG 16 2HD ARG 16 1.448 -3.915 -6.649 99 HE ARG 16 HE ARG 16 1.050 -2.888 -8.677 100 HH11 ARG 16 1HH1 ARG 16 0.741 -6.341 -8.998 101 HH12 ARG 16 2HH1 ARG 16 0.028 -6.261 -10.575 102 HH21 ARG 16 1HH2 ARG 16 0.112 -2.770 -10.753 103 HH22 ARG 16 2HH2 ARG 16 -0.329 -4.230 -11.573 104 H GLU 17 H GLU 17 4.843 -2.735 -3.619 105 HA GLU 17 HA GLU 17 7.148 -1.306 -4.759 106 HB2 GLU 17 1HB GLU 17 5.382 0.321 -4.557 107 HB3 GLU 17 2HB GLU 17 5.033 -0.193 -2.913 108 HG2 GLU 17 1HG GLU 17 6.225 1.801 -2.686 109 HG3 GLU 17 2HG GLU 17 7.397 0.530 -2.343 110 H CYS 18 H CYS 18 5.565 -2.532 -1.844 111 HA CYS 18 HA CYS 18 8.231 -2.889 -0.646 112 HB2 CYS 18 1HB CYS 18 7.310 -2.380 1.549 113 HB3 CYS 18 2HB CYS 18 7.032 -1.029 0.455 114 H GLY 19 H GLY 19 4.842 -3.958 -0.624 115 HA2 GLY 19 1HA GLY 19 4.526 -6.384 -1.040 116 HA3 GLY 19 2HA GLY 19 5.814 -6.647 0.126 117 H GLU 20 H GLU 20 2.536 -5.356 -0.227 118 HA GLU 20 HA GLU 20 1.780 -6.549 2.290 119 HB2 GLU 20 1HB GLU 20 2.742 -4.355 2.962 120 HB3 GLU 20 2HB GLU 20 1.549 -3.554 1.950 121 HG2 GLU 20 1HG GLU 20 -0.211 -4.124 3.346 122 HG3 GLU 20 2HG GLU 20 0.690 -5.434 4.108 123 H ILE 21 H ILE 21 -0.341 -7.082 2.331 124 HA ILE 21 HA ILE 21 -1.920 -6.360 -0.030 125 HB ILE 21 HB ILE 21 -2.359 -8.553 2.001 126 HG12 ILE 21 1HG1 ILE 21 -1.570 -8.790 -0.906 127 HG13 ILE 21 2HG1 ILE 21 -0.404 -8.790 0.413 128 HG21 ILE 21 1HG2 ILE 21 -3.953 -7.615 -0.345 129 HG22 ILE 21 2HG2 ILE 21 -3.968 -9.319 0.106 130 HG23 ILE 21 3HG2 ILE 21 -4.498 -8.097 1.262 131 HD11 ILE 21 3HD1 ILE 21 -2.003 -10.937 -0.614 132 HD12 ILE 21 1HD1 ILE 21 -0.663 -10.982 0.531 133 HD13 ILE 21 2HD1 ILE 21 -2.307 -10.706 1.107 134 H PHE 22 H PHE 22 -3.996 -5.531 0.115 135 HA PHE 22 HA PHE 22 -4.925 -4.726 2.783 136 HB2 PHE 22 1HB PHE 22 -4.771 -2.936 0.349 137 HB3 PHE 22 2HB PHE 22 -5.576 -2.513 1.856 138 HD1 PHE 22 HD1 PHE 22 -2.304 -3.283 0.332 139 HD2 PHE 22 HD2 PHE 22 -4.362 -1.698 3.704 140 HE1 PHE 22 HE1 PHE 22 -0.179 -2.408 1.214 141 HE2 PHE 22 HE2 PHE 22 -2.242 -0.820 4.590 142 HZ PHE 22 HZ PHE 22 -0.147 -1.174 3.345 143 H PHE 23 H PHE 23 -6.974 -5.259 3.133 144 HA PHE 23 HA PHE 23 -8.541 -6.615 1.251 145 HB2 PHE 23 1HB PHE 23 -9.113 -5.378 3.924 146 HB3 PHE 23 2HB PHE 23 -10.430 -6.037 2.958 147 HD1 PHE 23 HD1 PHE 23 -7.141 -6.926 4.436 148 HD2 PHE 23 HD2 PHE 23 -10.912 -8.307 3.027 149 HE1 PHE 23 HE1 PHE 23 -6.632 -9.176 5.291 150 HE2 PHE 23 HE2 PHE 23 -10.410 -10.559 3.881 151 HZ PHE 23 HZ PHE 23 -8.268 -10.996 5.015 152 H GLN 24 H GLN 24 -9.023 -3.343 2.588 153 HA GLN 24 HA GLN 24 -11.029 -2.711 0.636 154 HB2 GLN 24 1HB GLN 24 -9.628 -1.132 2.779 155 HB3 GLN 24 2HB GLN 24 -10.715 -0.359 1.633 156 HG2 GLN 24 1HG GLN 24 -12.578 -1.438 2.468 157 HG3 GLN 24 2HG GLN 24 -11.628 -2.736 3.190 158 HE21 GLN 24 1HE2 GLN 24 -13.523 -0.278 3.969 159 HE22 GLN 24 2HE2 GLN 24 -12.828 0.213 5.473 160 H TYR 25 H TYR 25 -10.842 -1.560 -1.216 161 HA TYR 25 HA TYR 25 -8.321 -1.410 -2.486 162 HB2 TYR 25 1HB TYR 25 -10.308 -1.705 -3.815 163 HB3 TYR 25 2HB TYR 25 -10.996 -0.202 -3.210 164 HD1 TYR 25 HD1 TYR 25 -7.797 -1.276 -4.836 165 HD2 TYR 25 HD2 TYR 25 -10.991 1.533 -4.717 166 HE1 TYR 25 HE1 TYR 25 -6.794 -0.064 -6.727 167 HE2 TYR 25 HE2 TYR 25 -9.998 2.752 -6.608 168 HH TYR 25 HH TYR 25 -7.282 1.485 -8.388 169 H VAL 26 H VAL 26 -10.514 1.176 -1.380 170 HA VAL 26 HA VAL 26 -9.051 3.395 -1.972 171 HB VAL 26 HB VAL 26 -10.561 2.948 0.607 172 HG11 VAL 26 1HG1 VAL 26 -10.162 5.590 -0.747 173 HG12 VAL 26 2HG1 VAL 26 -10.600 5.249 0.929 174 HG13 VAL 26 3HG1 VAL 26 -8.953 4.956 0.370 175 HG21 VAL 26 3HG2 VAL 26 -11.422 3.233 -2.146 176 HG22 VAL 26 1HG2 VAL 26 -12.348 2.784 -0.714 177 HG23 VAL 26 2HG2 VAL 26 -12.103 4.486 -1.109 178 H SER 27 H SER 27 -8.479 1.113 0.631 179 HA SER 27 HA SER 27 -6.558 2.661 2.029 180 HB2 SER 27 1HB SER 27 -7.075 -0.318 1.965 181 HB3 SER 27 2HB SER 27 -5.915 0.449 3.050 182 HG SER 27 HG SER 27 -7.689 0.464 4.252 183 H LEU 28 H LEU 28 -6.376 0.421 -0.660 184 HA LEU 28 HA LEU 28 -3.534 0.176 -0.651 185 HB2 LEU 28 1HB LEU 28 -4.670 -1.570 -1.702 186 HB3 LEU 28 2HB LEU 28 -5.697 -0.471 -2.619 187 HG LEU 28 HG LEU 28 -3.649 0.175 -3.934 188 HD11 LEU 28 1HD1 LEU 28 -2.210 -0.965 -2.010 189 HD12 LEU 28 2HD1 LEU 28 -1.644 -0.855 -3.676 190 HD13 LEU 28 3HD1 LEU 28 -2.360 -2.354 -3.086 191 HD21 LEU 28 3HD2 LEU 28 -3.700 -2.567 -4.652 192 HD22 LEU 28 1HD2 LEU 28 -4.542 -1.216 -5.410 193 HD23 LEU 28 2HD2 LEU 28 -5.318 -2.119 -4.109 194 H ILE 29 H ILE 29 -5.746 1.871 -2.881 195 HA ILE 29 HA ILE 29 -3.872 3.202 -4.399 196 HB ILE 29 HB ILE 29 -6.393 3.166 -4.722 197 HG12 ILE 29 1HG1 ILE 29 -5.151 5.903 -5.005 198 HG13 ILE 29 2HG1 ILE 29 -4.699 4.543 -6.028 199 HG21 ILE 29 1HG2 ILE 29 -7.773 4.354 -3.425 200 HG22 ILE 29 2HG2 ILE 29 -6.427 4.424 -2.289 201 HG23 ILE 29 3HG2 ILE 29 -6.701 5.755 -3.414 202 HD11 ILE 29 3HD1 ILE 29 -6.289 5.356 -7.374 203 HD12 ILE 29 1HD1 ILE 29 -7.386 4.500 -6.291 204 HD13 ILE 29 2HD1 ILE 29 -7.096 6.226 -6.070 205 H GLU 30 H GLU 30 -4.934 3.881 -1.154 206 HA GLU 30 HA GLU 30 -3.680 6.496 -1.099 207 HB2 GLU 30 1HB GLU 30 -5.811 5.813 0.167 208 HB3 GLU 30 2HB GLU 30 -4.733 4.992 1.286 209 HG2 GLU 30 1HG GLU 30 -5.413 7.256 2.016 210 HG3 GLU 30 2HG GLU 30 -3.669 7.043 1.879 211 H HIS 31 H HIS 31 -3.108 3.261 0.202 212 HA HIS 31 HA HIS 31 -0.925 3.828 1.840 213 HB2 HIS 31 1HB HIS 31 -1.758 1.678 2.109 214 HB3 HIS 31 2HB HIS 31 -1.844 1.383 0.375 215 HD1 HIS 31 HD1 HIS 31 0.870 1.895 2.997 216 HD2 HIS 31 HD2 HIS 31 0.149 -0.207 -0.513 217 HE1 HIS 31 HE1 HIS 31 2.900 0.452 2.649 218 H GLN 32 H GLN 32 -1.084 3.212 -1.628 219 HA GLN 32 HA GLN 32 1.641 2.948 -2.157 220 HB2 GLN 32 1HB GLN 32 -0.675 3.930 -3.800 221 HB3 GLN 32 2HB GLN 32 0.957 3.927 -4.453 222 HG2 GLN 32 1HG GLN 32 -0.155 1.439 -3.244 223 HG3 GLN 32 2HG GLN 32 -0.628 1.913 -4.875 224 HE21 GLN 32 1HE2 GLN 32 1.516 2.807 -6.063 225 HE22 GLN 32 2HE2 GLN 32 2.795 1.645 -6.081 226 H VAL 33 H VAL 33 -0.384 5.876 -2.243 227 HA VAL 33 HA VAL 33 1.520 7.728 -2.986 228 HB VAL 33 HB VAL 33 -0.739 8.110 -1.017 229 HG11 VAL 33 1HG1 VAL 33 0.702 10.217 -2.618 230 HG12 VAL 33 2HG1 VAL 33 -0.550 10.462 -1.399 231 HG13 VAL 33 3HG1 VAL 33 1.040 9.864 -0.924 232 HG21 VAL 33 3HG2 VAL 33 -1.046 9.217 -3.686 233 HG22 VAL 33 1HG2 VAL 33 -0.851 7.465 -3.698 234 HG23 VAL 33 2HG2 VAL 33 -2.143 8.202 -2.751 235 H LEU 34 H LEU 34 0.739 6.613 0.297 236 HA LEU 34 HA LEU 34 2.294 8.196 1.851 237 HB2 LEU 34 1HB LEU 34 2.079 5.198 2.081 238 HB3 LEU 34 2HB LEU 34 2.588 6.293 3.365 239 HG LEU 34 HG LEU 34 -0.140 6.423 2.099 240 HD11 LEU 34 1HD1 LEU 34 -1.002 4.943 3.628 241 HD12 LEU 34 2HD1 LEU 34 0.339 5.151 4.753 242 HD13 LEU 34 3HD1 LEU 34 0.559 4.199 3.285 243 HD21 LEU 34 3HD2 LEU 34 1.286 8.021 3.985 244 HD22 LEU 34 1HD2 LEU 34 -0.079 7.252 4.796 245 HD23 LEU 34 2HD2 LEU 34 -0.349 8.237 3.357 246 H HIS 35 H HIS 35 3.455 5.220 0.265 247 HA HIS 35 HA HIS 35 6.045 5.123 0.987 248 HB2 HIS 35 1HB HIS 35 4.778 4.663 -1.698 249 HB3 HIS 35 2HB HIS 35 6.512 4.446 -1.476 250 HD1 HIS 35 HD1 HIS 35 6.692 2.978 1.129 251 HD2 HIS 35 HD2 HIS 35 3.754 2.164 -1.693 252 HE1 HIS 35 HE1 HIS 35 5.928 0.632 1.612 253 H MET 36 H MET 36 4.939 7.045 -1.811 254 HA MET 36 HA MET 36 7.215 8.273 -2.581 255 HB2 MET 36 1HB MET 36 4.474 9.498 -2.273 256 HB3 MET 36 2HB MET 36 5.801 10.303 -3.099 257 HG2 MET 36 1HG MET 36 5.005 7.555 -3.931 258 HG3 MET 36 2HG MET 36 4.040 8.938 -4.441 259 HE1 MET 36 3HE MET 36 6.753 6.758 -4.693 260 HE2 MET 36 1HE MET 36 7.134 6.970 -6.403 261 HE3 MET 36 2HE MET 36 8.185 7.671 -5.172 262 H GLY 37 H GLY 37 8.741 9.465 -1.649 263 HA2 GLY 37 1HA GLY 37 9.713 11.075 -0.299 264 HA3 GLY 37 2HA GLY 37 8.112 11.493 0.293 265 H GLN 38 H GLN 38 11.035 9.948 0.996 266 HA GLN 38 HA GLN 38 10.340 9.497 3.694 267 HB2 GLN 38 1HB GLN 38 10.339 7.108 3.824 268 HB3 GLN 38 2HB GLN 38 9.147 7.573 2.617 269 HG2 GLN 38 1HG GLN 38 10.642 6.987 0.834 270 HG3 GLN 38 2HG GLN 38 11.945 6.673 1.979 271 HE21 GLN 38 1HE2 GLN 38 10.459 4.995 -0.037 272 HE22 GLN 38 2HE2 GLN 38 9.983 3.589 0.847 273 H LYS 39 H LYS 39 12.137 9.347 4.935 274 HA LYS 39 HA LYS 39 14.592 10.116 4.119 275 HB2 LYS 39 1HB LYS 39 15.525 9.003 6.124 276 HB3 LYS 39 2HB LYS 39 14.047 9.892 6.468 277 HG2 LYS 39 1HG LYS 39 12.859 7.636 6.159 278 HG3 LYS 39 2HG LYS 39 14.469 6.932 6.327 279 HD2 LYS 39 1HD LYS 39 13.336 8.867 8.333 280 HD3 LYS 39 2HD LYS 39 13.072 7.126 8.445 281 HE2 LYS 39 1HE LYS 39 15.822 8.312 8.204 282 HE3 LYS 39 2HE LYS 39 15.025 8.110 9.764 283 HZ1 LYS 39 3HZ LYS 39 15.729 5.975 7.828 284 HZ2 LYS 39 1HZ LYS 39 14.779 5.721 9.205 285 HZ3 LYS 39 2HZ LYS 39 16.388 6.217 9.367 286 H ASN 40 H ASN 40 13.445 6.762 4.233 287 HA ASN 40 HA ASN 40 15.903 5.672 3.255 288 HB2 ASN 40 1HB ASN 40 13.220 4.302 3.145 289 HB3 ASN 40 2HB ASN 40 14.815 3.569 3.294 290 HD21 ASN 40 1HD2 ASN 40 12.111 4.768 4.930 291 HD22 ASN 40 2HD2 ASN 40 12.722 4.634 6.541 292 H SER 41 H SER 41 16.393 6.728 1.335 293 HA SER 41 HA SER 41 14.488 6.696 -0.852 294 HB2 SER 41 1HB SER 41 17.228 7.857 -0.451 295 HB3 SER 41 2HB SER 41 16.559 7.710 -2.076 296 HG SER 41 HG SER 41 14.687 8.868 -1.195 297 H GLY 42 H GLY 42 14.452 5.294 -2.507 298 HA2 GLY 42 1HA GLY 42 15.460 3.821 -4.081 299 HA3 GLY 42 2HA GLY 42 16.773 3.551 -2.945 300 HA PRO 43 HA PRO 43 12.926 0.898 -1.582 301 HB2 PRO 43 1HB PRO 43 11.191 0.341 -3.595 302 HB3 PRO 43 2HB PRO 43 10.999 1.730 -2.518 303 HG2 PRO 43 1HG PRO 43 12.140 1.620 -5.284 304 HG3 PRO 43 2HG PRO 43 11.037 2.814 -4.575 305 HD2 PRO 43 1HD PRO 43 13.694 3.263 -4.840 306 HD3 PRO 43 2HD PRO 43 12.739 3.938 -3.504 307 H SER 44 H SER 44 14.044 -0.948 -1.390 308 HA SER 44 HA SER 44 14.660 -2.464 -3.841 309 HB2 SER 44 1HB SER 44 16.687 -1.727 -2.674 310 HB3 SER 44 2HB SER 44 16.121 -2.490 -1.188 311 HG SER 44 HG SER 44 17.453 -3.587 -3.237 312 H SER 45 H SER 45 12.907 -3.781 -3.993 313 HA SER 45 HA SER 45 12.619 -5.795 -1.894 314 HB2 SER 45 1HB SER 45 10.890 -3.865 -1.684 315 HB3 SER 45 2HB SER 45 10.141 -4.595 -3.103 316 HG SER 45 HG SER 45 9.529 -6.268 -1.940 317 H GLY 46 H GLY 46 11.663 -7.767 -2.609 318 HA2 GLY 46 1HA GLY 46 11.905 -8.125 -5.523 319 HA3 GLY 46 2HA GLY 46 12.129 -9.391 -4.325 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -14.571 -25.836 -19.681 2 HA2 GLY 1 1HA GLY 1 -14.275 -23.852 -21.151 3 HA3 GLY 1 2HA GLY 1 -14.932 -22.906 -19.824 4 H SER 2 H SER 2 -12.614 -22.047 -20.766 5 HA SER 2 HA SER 2 -10.371 -23.255 -19.418 6 HB2 SER 2 1HB SER 2 -10.704 -20.766 -21.088 7 HB3 SER 2 2HB SER 2 -9.186 -21.149 -20.278 8 HG SER 2 HG SER 2 -8.892 -22.840 -21.580 9 H SER 3 H SER 3 -10.016 -22.999 -17.324 10 HA SER 3 HA SER 3 -9.802 -20.472 -16.089 11 HB2 SER 3 1HB SER 3 -11.678 -20.626 -14.497 12 HB3 SER 3 2HB SER 3 -12.254 -20.520 -16.160 13 HG SER 3 HG SER 3 -12.107 -23.015 -15.867 14 H GLY 4 H GLY 4 -8.463 -20.656 -14.396 15 HA2 GLY 4 1HA GLY 4 -7.193 -23.029 -13.735 16 HA3 GLY 4 2HA GLY 4 -7.206 -21.595 -12.719 17 H SER 5 H SER 5 -8.083 -24.808 -12.923 18 HA SER 5 HA SER 5 -10.481 -24.987 -11.538 19 HB2 SER 5 1HB SER 5 -8.978 -26.839 -12.612 20 HB3 SER 5 2HB SER 5 -8.269 -26.943 -11.001 21 HG SER 5 HG SER 5 -10.472 -27.230 -10.233 22 H SER 6 H SER 6 -7.173 -24.840 -10.258 23 HA SER 6 HA SER 6 -8.316 -24.267 -7.602 24 HB2 SER 6 1HB SER 6 -6.938 -26.386 -7.844 25 HB3 SER 6 2HB SER 6 -5.543 -25.347 -8.131 26 HG SER 6 HG SER 6 -6.327 -26.122 -5.834 27 H GLY 7 H GLY 7 -8.276 -22.138 -7.271 28 HA2 GLY 7 1HA GLY 7 -7.187 -20.143 -6.704 29 HA3 GLY 7 2HA GLY 7 -5.729 -20.745 -7.478 30 H SER 8 H SER 8 -8.971 -19.490 -8.160 31 HA SER 8 HA SER 8 -8.158 -18.788 -10.871 32 HB2 SER 8 1HB SER 8 -10.449 -19.798 -10.207 33 HB3 SER 8 2HB SER 8 -10.842 -18.169 -9.658 34 HG SER 8 HG SER 8 -10.312 -19.094 -12.260 35 H ARG 9 H ARG 9 -8.585 -16.610 -11.696 36 HA ARG 9 HA ARG 9 -7.225 -14.625 -10.422 37 HB2 ARG 9 1HB ARG 9 -9.516 -14.437 -12.372 38 HB3 ARG 9 2HB ARG 9 -8.634 -13.019 -11.821 39 HG2 ARG 9 1HG ARG 9 -6.540 -14.098 -12.660 40 HG3 ARG 9 2HG ARG 9 -7.553 -15.355 -13.374 41 HD2 ARG 9 1HD ARG 9 -7.151 -13.810 -15.105 42 HD3 ARG 9 2HD ARG 9 -8.793 -13.484 -14.552 43 HE ARG 9 HE ARG 9 -7.139 -11.802 -13.114 44 HH11 ARG 9 1HH1 ARG 9 -7.960 -12.342 -16.454 45 HH12 ARG 9 2HH1 ARG 9 -7.693 -10.695 -16.921 46 HH21 ARG 9 1HH2 ARG 9 -6.784 -9.631 -13.717 47 HH22 ARG 9 2HH2 ARG 9 -7.023 -9.154 -15.364 48 H GLU 10 H GLU 10 -7.546 -14.035 -8.362 49 HA GLU 10 HA GLU 10 -10.208 -13.784 -7.263 50 HB2 GLU 10 1HB GLU 10 -7.430 -13.647 -6.194 51 HB3 GLU 10 2HB GLU 10 -8.700 -12.841 -5.285 52 HG2 GLU 10 1HG GLU 10 -8.602 -15.752 -6.035 53 HG3 GLU 10 2HG GLU 10 -8.355 -15.065 -4.431 54 H LYS 11 H LYS 11 -10.371 -11.714 -5.710 55 HA LYS 11 HA LYS 11 -9.950 -9.383 -7.461 56 HB2 LYS 11 1HB LYS 11 -12.113 -9.887 -5.410 57 HB3 LYS 11 2HB LYS 11 -11.909 -8.383 -6.298 58 HG2 LYS 11 1HG LYS 11 -12.273 -10.987 -7.731 59 HG3 LYS 11 2HG LYS 11 -13.654 -10.068 -7.127 60 HD2 LYS 11 1HD LYS 11 -12.504 -8.081 -8.379 61 HD3 LYS 11 2HD LYS 11 -11.698 -9.370 -9.276 62 HE2 LYS 11 1HE LYS 11 -13.841 -10.290 -9.932 63 HE3 LYS 11 2HE LYS 11 -14.685 -9.088 -8.957 64 HZ1 LYS 11 3HZ LYS 11 -12.979 -8.514 -11.320 65 HZ2 LYS 11 1HZ LYS 11 -13.775 -7.355 -10.379 66 HZ3 LYS 11 2HZ LYS 11 -14.670 -8.469 -11.285 67 H SER 12 H SER 12 -7.912 -10.239 -5.742 68 HA SER 12 HA SER 12 -8.019 -8.402 -3.464 69 HB2 SER 12 1HB SER 12 -5.913 -10.470 -4.135 70 HB3 SER 12 2HB SER 12 -6.066 -9.577 -2.623 71 HG SER 12 HG SER 12 -6.978 -11.642 -2.427 72 H HIS 13 H HIS 13 -6.096 -7.083 -3.000 73 HA HIS 13 HA HIS 13 -4.662 -6.258 -5.433 74 HB2 HIS 13 1HB HIS 13 -6.063 -4.516 -3.411 75 HB3 HIS 13 2HB HIS 13 -4.798 -3.890 -4.465 76 HD1 HIS 13 HD1 HIS 13 -5.419 -4.777 -7.162 77 HD2 HIS 13 HD2 HIS 13 -8.456 -3.891 -4.469 78 HE1 HIS 13 HE1 HIS 13 -7.446 -4.295 -8.570 79 H GLN 14 H GLN 14 -2.588 -6.712 -5.116 80 HA GLN 14 HA GLN 14 -1.464 -6.419 -2.418 81 HB2 GLN 14 1HB GLN 14 -1.320 -8.634 -3.699 82 HB3 GLN 14 2HB GLN 14 -0.146 -7.827 -4.730 83 HG2 GLN 14 1HG GLN 14 1.252 -7.381 -2.762 84 HG3 GLN 14 2HG GLN 14 0.087 -8.243 -1.759 85 HE21 GLN 14 1HE2 GLN 14 1.772 -9.671 -1.157 86 HE22 GLN 14 2HE2 GLN 14 2.277 -10.940 -2.215 87 H CYS 15 H CYS 15 0.384 -5.219 -2.052 88 HA CYS 15 HA CYS 15 0.865 -3.095 -3.953 89 HB2 CYS 15 1HB CYS 15 0.717 -2.500 -1.615 90 HB3 CYS 15 2HB CYS 15 1.991 -3.644 -1.202 91 H ARG 16 H ARG 16 2.454 -3.027 -5.396 92 HA ARG 16 HA ARG 16 4.526 -5.095 -5.288 93 HB2 ARG 16 1HB ARG 16 3.047 -4.705 -7.346 94 HB3 ARG 16 2HB ARG 16 3.988 -3.240 -7.598 95 HG2 ARG 16 1HG ARG 16 6.029 -4.573 -7.753 96 HG3 ARG 16 2HG ARG 16 5.085 -6.043 -7.499 97 HD2 ARG 16 1HD ARG 16 5.337 -5.945 -9.812 98 HD3 ARG 16 2HD ARG 16 3.728 -5.279 -9.541 99 HE ARG 16 HE ARG 16 5.684 -3.225 -9.581 100 HH11 ARG 16 1HH1 ARG 16 3.900 -5.380 -11.653 101 HH12 ARG 16 2HH1 ARG 16 3.975 -4.329 -13.028 102 HH21 ARG 16 1HH2 ARG 16 5.791 -1.833 -11.385 103 HH22 ARG 16 2HH2 ARG 16 5.052 -2.313 -12.875 104 H GLU 17 H GLU 17 4.708 -2.859 -3.524 105 HA GLU 17 HA GLU 17 7.179 -1.636 -4.551 106 HB2 GLU 17 1HB GLU 17 4.815 -0.326 -3.278 107 HB3 GLU 17 2HB GLU 17 6.415 0.331 -2.963 108 HG2 GLU 17 1HG GLU 17 5.865 1.571 -4.775 109 HG3 GLU 17 2HG GLU 17 6.596 0.192 -5.595 110 H CYS 18 H CYS 18 5.289 -2.579 -1.719 111 HA CYS 18 HA CYS 18 7.807 -2.795 -0.203 112 HB2 CYS 18 1HB CYS 18 6.549 -2.350 1.833 113 HB3 CYS 18 2HB CYS 18 6.310 -1.040 0.681 114 H GLY 19 H GLY 19 4.546 -4.157 -0.593 115 HA2 GLY 19 1HA GLY 19 4.436 -6.586 -0.989 116 HA3 GLY 19 2HA GLY 19 5.657 -6.758 0.263 117 H GLU 20 H GLU 20 2.536 -5.047 0.004 118 HA GLU 20 HA GLU 20 1.639 -6.515 2.387 119 HB2 GLU 20 1HB GLU 20 1.456 -3.542 1.901 120 HB3 GLU 20 2HB GLU 20 0.499 -4.377 3.116 121 HG2 GLU 20 1HG GLU 20 3.495 -4.513 3.056 122 HG3 GLU 20 2HG GLU 20 2.617 -3.242 3.904 123 H ILE 21 H ILE 21 -0.730 -6.462 2.675 124 HA ILE 21 HA ILE 21 -2.173 -6.098 0.136 125 HB ILE 21 HB ILE 21 -2.441 -8.451 2.010 126 HG12 ILE 21 1HG1 ILE 21 -1.723 -8.516 -0.914 127 HG13 ILE 21 2HG1 ILE 21 -0.491 -8.324 0.329 128 HG21 ILE 21 1HG2 ILE 21 -4.586 -7.570 1.017 129 HG22 ILE 21 2HG2 ILE 21 -3.932 -8.000 -0.563 130 HG23 ILE 21 3HG2 ILE 21 -4.205 -9.252 0.649 131 HD11 ILE 21 3HD1 ILE 21 -0.565 -10.615 -0.213 132 HD12 ILE 21 1HD1 ILE 21 -1.360 -10.450 1.353 133 HD13 ILE 21 2HD1 ILE 21 -2.325 -10.658 -0.109 134 H PHE 22 H PHE 22 -4.312 -5.449 0.290 135 HA PHE 22 HA PHE 22 -5.257 -4.763 2.995 136 HB2 PHE 22 1HB PHE 22 -5.478 -3.113 0.470 137 HB3 PHE 22 2HB PHE 22 -6.318 -2.741 1.972 138 HD1 PHE 22 HD1 PHE 22 -2.949 -3.166 0.490 139 HD2 PHE 22 HD2 PHE 22 -5.263 -1.528 3.665 140 HE1 PHE 22 HE1 PHE 22 -0.982 -1.912 1.272 141 HE2 PHE 22 HE2 PHE 22 -3.300 -0.270 4.451 142 HZ PHE 22 HZ PHE 22 -1.156 -0.460 3.254 143 H PHE 23 H PHE 23 -7.692 -4.216 2.922 144 HA PHE 23 HA PHE 23 -9.012 -6.376 1.435 145 HB2 PHE 23 1HB PHE 23 -10.091 -4.844 3.806 146 HB3 PHE 23 2HB PHE 23 -10.734 -6.330 3.115 147 HD1 PHE 23 HD2 PHE 23 -8.610 -8.141 2.867 148 HD2 PHE 23 HD1 PHE 23 -9.188 -5.186 5.876 149 HE1 PHE 23 HE2 PHE 23 -7.233 -9.460 4.422 150 HE2 PHE 23 HE1 PHE 23 -7.811 -6.500 7.436 151 HZ PHE 23 HZ PHE 23 -6.832 -8.640 6.709 152 H GLN 24 H GLN 24 -9.400 -2.965 2.332 153 HA GLN 24 HA GLN 24 -11.563 -2.666 0.402 154 HB2 GLN 24 1HB GLN 24 -10.430 -0.952 2.581 155 HB3 GLN 24 2HB GLN 24 -11.396 -0.216 1.309 156 HG2 GLN 24 1HG GLN 24 -12.441 -2.589 2.783 157 HG3 GLN 24 2HG GLN 24 -12.518 -0.988 3.516 158 HE21 GLN 24 1HE2 GLN 24 -14.698 -0.738 3.450 159 HE22 GLN 24 2HE2 GLN 24 -15.608 -0.616 1.987 160 H TYR 25 H TYR 25 -11.438 -0.455 -0.834 161 HA TYR 25 HA TYR 25 -9.041 -0.612 -2.464 162 HB2 TYR 25 1HB TYR 25 -11.042 -0.508 -3.728 163 HB3 TYR 25 2HB TYR 25 -11.673 0.825 -2.768 164 HD1 TYR 25 HD1 TYR 25 -8.488 0.221 -4.642 165 HD2 TYR 25 HD2 TYR 25 -11.838 2.764 -3.995 166 HE1 TYR 25 HE1 TYR 25 -7.584 1.819 -6.278 167 HE2 TYR 25 HE2 TYR 25 -10.943 4.368 -5.631 168 HH TYR 25 HH TYR 25 -8.179 3.617 -7.619 169 H VAL 26 H VAL 26 -10.821 1.879 -0.652 170 HA VAL 26 HA VAL 26 -9.045 3.993 -1.098 171 HB VAL 26 HB VAL 26 -10.752 3.537 1.353 172 HG11 VAL 26 1HG1 VAL 26 -8.994 5.282 1.565 173 HG12 VAL 26 2HG1 VAL 26 -9.720 6.121 0.194 174 HG13 VAL 26 3HG1 VAL 26 -10.636 5.911 1.686 175 HG21 VAL 26 3HG2 VAL 26 -12.013 5.385 -0.269 176 HG22 VAL 26 1HG2 VAL 26 -11.428 4.165 -1.400 177 HG23 VAL 26 2HG2 VAL 26 -12.473 3.696 -0.060 178 H SER 27 H SER 27 -8.890 1.295 1.089 179 HA SER 27 HA SER 27 -6.993 2.342 2.905 180 HB2 SER 27 1HB SER 27 -6.598 -0.034 3.515 181 HB3 SER 27 2HB SER 27 -8.313 0.373 3.466 182 HG SER 27 HG SER 27 -8.048 -0.435 1.146 183 H LEU 28 H LEU 28 -6.719 0.787 -0.217 184 HA LEU 28 HA LEU 28 -3.857 0.461 -0.027 185 HB2 LEU 28 1HB LEU 28 -5.016 -1.164 -1.307 186 HB3 LEU 28 2HB LEU 28 -5.845 0.074 -2.249 187 HG LEU 28 HG LEU 28 -3.471 0.687 -3.084 188 HD11 LEU 28 1HD1 LEU 28 -2.981 -1.736 -1.519 189 HD12 LEU 28 2HD1 LEU 28 -1.863 -0.485 -2.060 190 HD13 LEU 28 3HD1 LEU 28 -2.329 -1.784 -3.157 191 HD21 LEU 28 3HD2 LEU 28 -5.376 -0.429 -4.337 192 HD22 LEU 28 1HD2 LEU 28 -4.568 -1.959 -3.993 193 HD23 LEU 28 2HD2 LEU 28 -3.747 -0.724 -4.948 194 H ILE 29 H ILE 29 -5.834 2.178 -2.447 195 HA ILE 29 HA ILE 29 -4.057 3.727 -3.685 196 HB ILE 29 HB ILE 29 -6.551 3.848 -3.964 197 HG12 ILE 29 1HG1 ILE 29 -5.192 6.542 -3.778 198 HG13 ILE 29 2HG1 ILE 29 -4.919 5.391 -5.081 199 HG21 ILE 29 1HG2 ILE 29 -7.791 5.494 -2.675 200 HG22 ILE 29 2HG2 ILE 29 -7.107 4.264 -1.614 201 HG23 ILE 29 3HG2 ILE 29 -6.352 5.854 -1.722 202 HD11 ILE 29 3HD1 ILE 29 -7.126 7.240 -4.638 203 HD12 ILE 29 1HD1 ILE 29 -6.545 6.495 -6.127 204 HD13 ILE 29 2HD1 ILE 29 -7.638 5.607 -5.065 205 H GLU 30 H GLU 30 -5.171 4.255 -0.386 206 HA GLU 30 HA GLU 30 -3.905 6.761 -0.009 207 HB2 GLU 30 1HB GLU 30 -5.100 4.689 1.772 208 HB3 GLU 30 2HB GLU 30 -4.056 5.902 2.499 209 HG2 GLU 30 1HG GLU 30 -5.469 7.673 1.685 210 HG3 GLU 30 2HG GLU 30 -6.471 6.516 0.812 211 H HIS 31 H HIS 31 -2.970 3.476 1.011 212 HA HIS 31 HA HIS 31 -0.515 4.127 2.151 213 HB2 HIS 31 1HB HIS 31 -1.276 1.956 2.586 214 HB3 HIS 31 2HB HIS 31 -1.589 1.623 0.885 215 HD1 HIS 31 HD1 HIS 31 1.198 1.767 3.395 216 HD2 HIS 31 HD2 HIS 31 0.570 0.629 -0.551 217 HE1 HIS 31 HE1 HIS 31 3.280 0.535 2.711 218 H GLN 32 H GLN 32 -1.319 3.316 -1.199 219 HA GLN 32 HA GLN 32 1.121 3.054 -2.363 220 HB2 GLN 32 1HB GLN 32 -1.369 4.424 -3.342 221 HB3 GLN 32 2HB GLN 32 0.065 4.319 -4.354 222 HG2 GLN 32 1HG GLN 32 -0.053 1.788 -3.848 223 HG3 GLN 32 2HG GLN 32 -1.717 2.132 -3.377 224 HE21 GLN 32 1HE2 GLN 32 0.516 1.829 -5.976 225 HE22 GLN 32 2HE2 GLN 32 -0.623 2.005 -7.264 226 H VAL 33 H VAL 33 -0.460 6.104 -1.500 227 HA VAL 33 HA VAL 33 1.135 7.991 -2.594 228 HB VAL 33 HB VAL 33 0.188 7.994 0.275 229 HG11 VAL 33 1HG1 VAL 33 1.995 9.694 -0.624 230 HG12 VAL 33 2HG1 VAL 33 0.573 10.480 -1.312 231 HG13 VAL 33 3HG1 VAL 33 0.682 10.221 0.429 232 HG21 VAL 33 3HG2 VAL 33 -1.873 8.421 -0.464 233 HG22 VAL 33 1HG2 VAL 33 -1.288 9.615 -1.623 234 HG23 VAL 33 2HG2 VAL 33 -1.310 7.905 -2.053 235 H LEU 34 H LEU 34 1.936 5.973 0.186 236 HA LEU 34 HA LEU 34 4.247 7.220 1.061 237 HB2 LEU 34 1HB LEU 34 3.557 4.291 0.955 238 HB3 LEU 34 2HB LEU 34 4.956 4.937 1.810 239 HG LEU 34 HG LEU 34 2.132 5.761 2.449 240 HD11 LEU 34 1HD1 LEU 34 2.893 4.143 4.496 241 HD12 LEU 34 2HD1 LEU 34 3.565 3.293 3.106 242 HD13 LEU 34 3HD1 LEU 34 1.841 3.659 3.165 243 HD21 LEU 34 3HD2 LEU 34 4.044 7.212 3.158 244 HD22 LEU 34 1HD2 LEU 34 4.635 5.859 4.122 245 HD23 LEU 34 2HD2 LEU 34 3.067 6.581 4.485 246 H HIS 35 H HIS 35 3.837 4.871 -1.554 247 HA HIS 35 HA HIS 35 6.668 5.052 -2.227 248 HB2 HIS 35 1HB HIS 35 4.534 3.453 -3.646 249 HB3 HIS 35 2HB HIS 35 6.279 3.235 -3.743 250 HD1 HIS 35 HD1 HIS 35 7.358 2.640 -1.219 251 HD2 HIS 35 HD2 HIS 35 3.382 1.692 -1.962 252 HE1 HIS 35 HE1 HIS 35 6.750 0.903 0.494 253 H MET 36 H MET 36 4.819 7.339 -2.551 254 HA MET 36 HA MET 36 5.149 7.731 -5.453 255 HB2 MET 36 1HB MET 36 2.893 8.436 -3.630 256 HB3 MET 36 2HB MET 36 3.240 9.502 -4.984 257 HG2 MET 36 1HG MET 36 2.738 6.548 -5.247 258 HG3 MET 36 2HG MET 36 1.501 7.789 -5.436 259 HE1 MET 36 3HE MET 36 2.693 9.736 -8.571 260 HE2 MET 36 1HE MET 36 1.707 9.749 -7.109 261 HE3 MET 36 2HE MET 36 3.433 10.099 -7.011 262 H GLY 37 H GLY 37 7.244 8.289 -3.778 263 HA2 GLY 37 1HA GLY 37 8.755 9.963 -3.347 264 HA3 GLY 37 2HA GLY 37 7.773 10.998 -4.373 265 H GLN 38 H GLN 38 9.167 11.605 -1.859 266 HA GLN 38 HA GLN 38 7.562 11.758 0.369 267 HB2 GLN 38 1HB GLN 38 8.851 13.893 0.883 268 HB3 GLN 38 2HB GLN 38 9.807 12.444 0.600 269 HG2 GLN 38 1HG GLN 38 10.360 13.166 -1.614 270 HG3 GLN 38 2HG GLN 38 9.258 14.536 -1.490 271 HE21 GLN 38 1HE2 GLN 38 12.056 14.605 -2.094 272 HE22 GLN 38 2HE2 GLN 38 12.821 15.533 -0.853 273 H LYS 39 H LYS 39 5.590 12.542 0.631 274 HA LYS 39 HA LYS 39 3.996 13.877 -1.058 275 HB2 LYS 39 1HB LYS 39 2.652 14.565 0.774 276 HB3 LYS 39 2HB LYS 39 3.424 13.064 1.268 277 HG2 LYS 39 1HG LYS 39 4.755 15.624 1.972 278 HG3 LYS 39 2HG LYS 39 3.309 15.150 2.867 279 HD2 LYS 39 1HD LYS 39 4.334 13.059 3.501 280 HD3 LYS 39 2HD LYS 39 5.743 13.406 2.496 281 HE2 LYS 39 1HE LYS 39 6.130 15.440 3.914 282 HE3 LYS 39 2HE LYS 39 4.857 14.856 4.985 283 HZ1 LYS 39 3HZ LYS 39 6.142 13.149 5.736 284 HZ2 LYS 39 1HZ LYS 39 7.359 14.280 5.417 285 HZ3 LYS 39 2HZ LYS 39 7.052 13.035 4.314 286 H ASN 40 H ASN 40 3.379 16.045 -1.459 287 HA ASN 40 HA ASN 40 5.524 17.837 -1.795 288 HB2 ASN 40 1HB ASN 40 3.564 19.502 -2.221 289 HB3 ASN 40 2HB ASN 40 3.799 18.151 -3.326 290 HD21 ASN 40 1HD2 ASN 40 2.054 17.050 -3.814 291 HD22 ASN 40 2HD2 ASN 40 0.622 16.928 -2.856 292 H SER 41 H SER 41 6.444 19.202 -0.420 293 HA SER 41 HA SER 41 4.960 19.949 2.014 294 HB2 SER 41 1HB SER 41 7.022 18.483 2.295 295 HB3 SER 41 2HB SER 41 7.969 19.869 1.753 296 HG SER 41 HG SER 41 6.137 20.049 3.899 297 H GLY 42 H GLY 42 5.434 22.069 2.912 298 HA2 GLY 42 1HA GLY 42 6.402 23.992 0.892 299 HA3 GLY 42 2HA GLY 42 4.902 24.270 1.766 300 HA PRO 43 HA PRO 43 7.211 26.533 4.739 301 HB2 PRO 43 1HB PRO 43 5.497 26.379 6.839 302 HB3 PRO 43 2HB PRO 43 5.198 27.399 5.427 303 HG2 PRO 43 1HG PRO 43 4.102 24.689 6.072 304 HG3 PRO 43 2HG PRO 43 3.266 26.105 5.409 305 HD2 PRO 43 1HD PRO 43 4.080 24.038 3.862 306 HD3 PRO 43 2HD PRO 43 4.027 25.711 3.270 307 H SER 44 H SER 44 8.151 26.341 6.921 308 HA SER 44 HA SER 44 9.384 23.825 7.296 309 HB2 SER 44 1HB SER 44 10.387 26.034 7.929 310 HB3 SER 44 2HB SER 44 9.256 26.108 9.280 311 HG SER 44 HG SER 44 11.547 24.617 8.975 312 H SER 45 H SER 45 6.822 25.518 9.070 313 HA SER 45 HA SER 45 6.464 23.847 11.213 314 HB2 SER 45 1HB SER 45 4.420 25.336 9.561 315 HB3 SER 45 2HB SER 45 4.006 24.492 11.053 316 HG SER 45 HG SER 45 5.965 25.863 11.823 317 H GLY 46 H GLY 46 4.977 23.499 7.994 318 HA2 GLY 46 1HA GLY 46 4.824 21.332 6.951 319 HA3 GLY 46 2HA GLY 46 4.696 20.620 8.552 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -9.785 -31.257 -18.662 2 HA2 GLY 1 1HA GLY 1 -9.849 -29.926 -16.690 3 HA3 GLY 1 2HA GLY 1 -8.544 -29.234 -17.643 4 H SER 2 H SER 2 -10.706 -28.191 -15.698 5 HA SER 2 HA SER 2 -11.767 -26.063 -17.432 6 HB2 SER 2 1HB SER 2 -12.728 -27.170 -14.794 7 HB3 SER 2 2HB SER 2 -13.325 -25.646 -15.451 8 HG SER 2 HG SER 2 -13.943 -26.849 -17.339 9 H SER 3 H SER 3 -9.738 -24.938 -17.386 10 HA SER 3 HA SER 3 -8.279 -23.362 -16.634 11 HB2 SER 3 1HB SER 3 -10.363 -22.088 -16.299 12 HB3 SER 3 2HB SER 3 -10.510 -22.760 -14.675 13 HG SER 3 HG SER 3 -9.119 -21.344 -13.996 14 H GLY 4 H GLY 4 -7.833 -25.920 -15.644 15 HA2 GLY 4 1HA GLY 4 -6.851 -27.098 -13.918 16 HA3 GLY 4 2HA GLY 4 -5.940 -25.608 -13.719 17 H SER 5 H SER 5 -5.826 -25.247 -11.598 18 HA SER 5 HA SER 5 -8.336 -25.340 -10.056 19 HB2 SER 5 1HB SER 5 -5.545 -26.140 -9.236 20 HB3 SER 5 2HB SER 5 -6.812 -25.803 -8.057 21 HG SER 5 HG SER 5 -7.992 -27.503 -8.851 22 H SER 6 H SER 6 -8.831 -23.180 -10.245 23 HA SER 6 HA SER 6 -7.451 -21.403 -8.482 24 HB2 SER 6 1HB SER 6 -7.043 -21.183 -11.429 25 HB3 SER 6 2HB SER 6 -7.231 -19.691 -10.508 26 HG SER 6 HG SER 6 -5.127 -21.433 -10.603 27 H GLY 7 H GLY 7 -8.544 -19.322 -8.273 28 HA2 GLY 7 1HA GLY 7 -11.390 -19.579 -8.986 29 HA3 GLY 7 2HA GLY 7 -10.762 -18.654 -7.630 30 H SER 8 H SER 8 -12.484 -18.016 -10.064 31 HA SER 8 HA SER 8 -10.950 -16.161 -11.614 32 HB2 SER 8 1HB SER 8 -13.209 -15.460 -12.481 33 HB3 SER 8 2HB SER 8 -12.863 -17.181 -12.653 34 HG SER 8 HG SER 8 -14.996 -16.559 -11.773 35 H ARG 9 H ARG 9 -13.447 -15.806 -9.102 36 HA ARG 9 HA ARG 9 -13.160 -12.961 -8.976 37 HB2 ARG 9 1HB ARG 9 -15.272 -14.100 -8.406 38 HB3 ARG 9 2HB ARG 9 -14.483 -14.861 -7.031 39 HG2 ARG 9 1HG ARG 9 -15.715 -13.039 -6.180 40 HG3 ARG 9 2HG ARG 9 -14.019 -12.549 -6.156 41 HD2 ARG 9 1HD ARG 9 -15.262 -10.705 -6.989 42 HD3 ARG 9 2HD ARG 9 -14.421 -11.421 -8.364 43 HE ARG 9 HE ARG 9 -17.074 -12.443 -8.029 44 HH11 ARG 9 1HH1 ARG 9 -15.191 -9.823 -9.337 45 HH12 ARG 9 2HH1 ARG 9 -16.368 -9.403 -10.536 46 HH21 ARG 9 1HH2 ARG 9 -18.632 -11.899 -9.603 47 HH22 ARG 9 2HH2 ARG 9 -18.326 -10.583 -10.686 48 H GLU 10 H GLU 10 -11.244 -12.176 -8.329 49 HA GLU 10 HA GLU 10 -9.943 -13.381 -5.988 50 HB2 GLU 10 1HB GLU 10 -8.829 -11.433 -8.014 51 HB3 GLU 10 2HB GLU 10 -7.930 -12.177 -6.699 52 HG2 GLU 10 1HG GLU 10 -7.838 -14.219 -7.726 53 HG3 GLU 10 2HG GLU 10 -9.303 -13.935 -8.664 54 H LYS 11 H LYS 11 -10.796 -10.208 -7.349 55 HA LYS 11 HA LYS 11 -10.968 -8.145 -6.363 56 HB2 LYS 11 1HB LYS 11 -13.001 -9.668 -5.612 57 HB3 LYS 11 2HB LYS 11 -12.278 -9.457 -4.023 58 HG2 LYS 11 1HG LYS 11 -12.355 -6.972 -4.452 59 HG3 LYS 11 2HG LYS 11 -13.352 -7.338 -5.862 60 HD2 LYS 11 1HD LYS 11 -15.123 -8.083 -4.580 61 HD3 LYS 11 2HD LYS 11 -14.096 -8.465 -3.196 62 HE2 LYS 11 1HE LYS 11 -14.524 -5.644 -4.138 63 HE3 LYS 11 2HE LYS 11 -15.625 -6.427 -3.005 64 HZ1 LYS 11 3HZ LYS 11 -13.367 -6.935 -1.783 65 HZ2 LYS 11 1HZ LYS 11 -14.186 -5.472 -1.553 66 HZ3 LYS 11 2HZ LYS 11 -12.866 -5.546 -2.608 67 H SER 12 H SER 12 -8.474 -9.237 -5.837 68 HA SER 12 HA SER 12 -7.981 -8.321 -3.079 69 HB2 SER 12 1HB SER 12 -6.373 -10.385 -4.602 70 HB3 SER 12 2HB SER 12 -6.122 -9.881 -2.930 71 HG SER 12 HG SER 12 -7.668 -11.171 -2.329 72 H HIS 13 H HIS 13 -5.880 -7.324 -2.716 73 HA HIS 13 HA HIS 13 -4.601 -6.241 -5.121 74 HB2 HIS 13 1HB HIS 13 -5.829 -4.670 -2.873 75 HB3 HIS 13 2HB HIS 13 -4.479 -4.011 -3.792 76 HD1 HIS 13 HD1 HIS 13 -5.234 -4.783 -6.626 77 HD2 HIS 13 HD2 HIS 13 -7.965 -3.324 -3.855 78 HE1 HIS 13 HE1 HIS 13 -7.123 -3.826 -7.983 79 H GLN 14 H GLN 14 -2.440 -5.531 -4.818 80 HA GLN 14 HA GLN 14 -1.194 -6.047 -2.237 81 HB2 GLN 14 1HB GLN 14 -1.159 -8.199 -3.522 82 HB3 GLN 14 2HB GLN 14 -0.190 -7.393 -4.748 83 HG2 GLN 14 1HG GLN 14 1.425 -6.854 -2.830 84 HG3 GLN 14 2HG GLN 14 0.545 -8.091 -1.934 85 HE21 GLN 14 1HE2 GLN 14 2.435 -7.482 -4.832 86 HE22 GLN 14 2HE2 GLN 14 2.988 -9.105 -5.038 87 H CYS 15 H CYS 15 0.802 -5.020 -1.954 88 HA CYS 15 HA CYS 15 1.390 -2.972 -3.982 89 HB2 CYS 15 1HB CYS 15 0.720 -2.093 -1.789 90 HB3 CYS 15 2HB CYS 15 2.026 -2.992 -1.024 91 H ARG 16 H ARG 16 2.663 -4.509 -5.195 92 HA ARG 16 HA ARG 16 4.743 -6.057 -4.415 93 HB2 ARG 16 1HB ARG 16 4.355 -4.345 -6.842 94 HB3 ARG 16 2HB ARG 16 5.867 -5.217 -6.626 95 HG2 ARG 16 1HG ARG 16 4.573 -7.319 -6.431 96 HG3 ARG 16 2HG ARG 16 3.106 -6.405 -6.788 97 HD2 ARG 16 1HD ARG 16 3.668 -7.197 -8.875 98 HD3 ARG 16 2HD ARG 16 4.449 -5.616 -8.881 99 HE ARG 16 HE ARG 16 6.289 -7.478 -7.918 100 HH11 ARG 16 1HH1 ARG 16 4.583 -6.745 -10.863 101 HH12 ARG 16 2HH1 ARG 16 5.821 -7.384 -11.893 102 HH21 ARG 16 1HH2 ARG 16 7.926 -8.322 -9.264 103 HH22 ARG 16 2HH2 ARG 16 7.722 -8.282 -10.982 104 H GLU 17 H GLU 17 4.880 -2.551 -4.951 105 HA GLU 17 HA GLU 17 7.453 -1.890 -4.745 106 HB2 GLU 17 1HB GLU 17 5.021 -0.685 -3.527 107 HB3 GLU 17 2HB GLU 17 6.580 -0.066 -3.004 108 HG2 GLU 17 1HG GLU 17 6.193 1.341 -4.734 109 HG3 GLU 17 2HG GLU 17 7.008 0.044 -5.607 110 H CYS 18 H CYS 18 5.488 -2.456 -1.820 111 HA CYS 18 HA CYS 18 7.976 -3.004 -0.351 112 HB2 CYS 18 1HB CYS 18 6.650 -2.585 1.689 113 HB3 CYS 18 2HB CYS 18 6.636 -1.203 0.598 114 H GLY 19 H GLY 19 4.645 -4.191 -0.753 115 HA2 GLY 19 1HA GLY 19 4.387 -6.596 -1.184 116 HA3 GLY 19 2HA GLY 19 5.632 -6.865 0.026 117 H GLU 20 H GLU 20 2.479 -5.217 -0.247 118 HA GLU 20 HA GLU 20 1.684 -6.536 2.255 119 HB2 GLU 20 1HB GLU 20 2.367 -4.175 2.694 120 HB3 GLU 20 2HB GLU 20 1.101 -3.645 1.595 121 HG2 GLU 20 1HG GLU 20 -0.598 -4.288 3.033 122 HG3 GLU 20 2HG GLU 20 0.447 -5.385 3.934 123 H ILE 21 H ILE 21 -0.513 -7.009 2.456 124 HA ILE 21 HA ILE 21 -1.992 -6.928 -0.081 125 HB ILE 21 HB ILE 21 -2.444 -8.686 2.333 126 HG12 ILE 21 1HG1 ILE 21 -1.424 -9.505 -0.386 127 HG13 ILE 21 2HG1 ILE 21 -0.346 -9.078 0.938 128 HG21 ILE 21 1HG2 ILE 21 -4.525 -8.660 1.407 129 HG22 ILE 21 2HG2 ILE 21 -3.924 -8.282 -0.206 130 HG23 ILE 21 3HG2 ILE 21 -3.794 -9.925 0.421 131 HD11 ILE 21 3HD1 ILE 21 -2.428 -11.128 1.442 132 HD12 ILE 21 1HD1 ILE 21 -1.036 -11.570 0.455 133 HD13 ILE 21 2HD1 ILE 21 -0.799 -10.979 2.100 134 H PHE 22 H PHE 22 -3.791 -5.759 -0.279 135 HA PHE 22 HA PHE 22 -5.041 -4.705 2.173 136 HB2 PHE 22 1HB PHE 22 -5.062 -3.244 -0.459 137 HB3 PHE 22 2HB PHE 22 -5.393 -2.610 1.150 138 HD1 PHE 22 HD1 PHE 22 -2.653 -4.126 -0.861 139 HD2 PHE 22 HD2 PHE 22 -3.737 -1.475 2.287 140 HE1 PHE 22 HE1 PHE 22 -0.310 -3.398 -0.673 141 HE2 PHE 22 HE2 PHE 22 -1.397 -0.742 2.480 142 HZ PHE 22 HZ PHE 22 0.320 -1.702 0.999 143 H PHE 23 H PHE 23 -7.122 -5.173 2.433 144 HA PHE 23 HA PHE 23 -8.525 -6.640 0.385 145 HB2 PHE 23 1HB PHE 23 -10.361 -6.699 2.124 146 HB3 PHE 23 2HB PHE 23 -8.832 -7.419 2.617 147 HD1 PHE 23 HD2 PHE 23 -7.417 -6.326 4.269 148 HD2 PHE 23 HD1 PHE 23 -11.184 -4.693 3.149 149 HE1 PHE 23 HE2 PHE 23 -7.373 -4.874 6.254 150 HE2 PHE 23 HE1 PHE 23 -11.147 -3.237 5.132 151 HZ PHE 23 HZ PHE 23 -9.240 -3.327 6.689 152 H GLN 24 H GLN 24 -8.868 -3.509 2.006 153 HA GLN 24 HA GLN 24 -11.103 -2.801 0.280 154 HB2 GLN 24 1HB GLN 24 -10.800 -2.247 2.830 155 HB3 GLN 24 2HB GLN 24 -9.849 -0.899 2.220 156 HG2 GLN 24 1HG GLN 24 -11.664 0.125 1.252 157 HG3 GLN 24 2HG GLN 24 -12.578 -1.377 1.127 158 HE21 GLN 24 1HE2 GLN 24 -11.109 0.659 3.638 159 HE22 GLN 24 2HE2 GLN 24 -12.443 0.568 4.732 160 H TYR 25 H TYR 25 -10.833 -1.798 -1.592 161 HA TYR 25 HA TYR 25 -8.442 -1.158 -2.768 162 HB2 TYR 25 1HB TYR 25 -10.574 -1.303 -3.987 163 HB3 TYR 25 2HB TYR 25 -11.099 0.207 -3.251 164 HD1 TYR 25 HD1 TYR 25 -8.292 -1.161 -5.302 165 HD2 TYR 25 HD2 TYR 25 -10.778 2.177 -4.419 166 HE1 TYR 25 HE1 TYR 25 -7.256 0.091 -7.149 167 HE2 TYR 25 HE2 TYR 25 -9.750 3.438 -6.265 168 HH TYR 25 HH TYR 25 -7.045 2.943 -7.546 169 H VAL 26 H VAL 26 -10.427 0.840 -0.669 170 HA VAL 26 HA VAL 26 -9.181 3.311 -1.088 171 HB VAL 26 HB VAL 26 -10.453 2.246 1.437 172 HG11 VAL 26 1HG1 VAL 26 -9.779 5.078 0.644 173 HG12 VAL 26 2HG1 VAL 26 -10.704 4.605 2.071 174 HG13 VAL 26 3HG1 VAL 26 -9.009 4.141 1.923 175 HG21 VAL 26 3HG2 VAL 26 -12.267 2.291 0.100 176 HG22 VAL 26 1HG2 VAL 26 -12.203 4.027 0.401 177 HG23 VAL 26 2HG2 VAL 26 -11.505 3.362 -1.075 178 H SER 27 H SER 27 -8.373 0.649 1.090 179 HA SER 27 HA SER 27 -6.340 1.962 2.528 180 HB2 SER 27 1HB SER 27 -7.387 -0.160 3.257 181 HB3 SER 27 2HB SER 27 -6.591 -0.995 1.923 182 HG SER 27 HG SER 27 -5.503 -1.070 4.028 183 H LEU 28 H LEU 28 -6.396 0.459 -0.604 184 HA LEU 28 HA LEU 28 -3.532 0.304 -0.862 185 HB2 LEU 28 1HB LEU 28 -4.866 -1.300 -2.039 186 HB3 LEU 28 2HB LEU 28 -5.779 -0.023 -2.840 187 HG LEU 28 HG LEU 28 -3.650 0.630 -4.006 188 HD11 LEU 28 1HD1 LEU 28 -2.010 -1.365 -4.119 189 HD12 LEU 28 2HD1 LEU 28 -2.707 -1.814 -2.562 190 HD13 LEU 28 3HD1 LEU 28 -1.913 -0.251 -2.755 191 HD21 LEU 28 3HD2 LEU 28 -5.178 -0.530 -5.326 192 HD22 LEU 28 1HD2 LEU 28 -4.982 -2.025 -4.411 193 HD23 LEU 28 2HD2 LEU 28 -3.697 -1.475 -5.486 194 H ILE 29 H ILE 29 -6.017 2.154 -2.637 195 HA ILE 29 HA ILE 29 -4.347 3.862 -4.009 196 HB ILE 29 HB ILE 29 -6.892 3.648 -4.176 197 HG12 ILE 29 1HG1 ILE 29 -5.693 6.426 -4.222 198 HG13 ILE 29 2HG1 ILE 29 -5.505 5.227 -5.497 199 HG21 ILE 29 1HG2 ILE 29 -6.979 5.975 -2.304 200 HG22 ILE 29 2HG2 ILE 29 -8.280 4.906 -2.824 201 HG23 ILE 29 3HG2 ILE 29 -7.071 4.330 -1.676 202 HD11 ILE 29 3HD1 ILE 29 -8.182 5.296 -5.314 203 HD12 ILE 29 1HD1 ILE 29 -7.794 6.947 -4.834 204 HD13 ILE 29 2HD1 ILE 29 -7.244 6.329 -6.392 205 H GLU 30 H GLU 30 -5.406 4.032 -0.670 206 HA GLU 30 HA GLU 30 -4.413 6.679 -0.215 207 HB2 GLU 30 1HB GLU 30 -5.393 4.471 1.574 208 HB3 GLU 30 2HB GLU 30 -4.668 5.926 2.245 209 HG2 GLU 30 1HG GLU 30 -6.417 7.125 0.702 210 HG3 GLU 30 2HG GLU 30 -7.252 5.577 0.817 211 H HIS 31 H HIS 31 -3.221 3.406 0.397 212 HA HIS 31 HA HIS 31 -0.915 4.108 1.836 213 HB2 HIS 31 1HB HIS 31 -1.626 1.830 1.867 214 HB3 HIS 31 2HB HIS 31 -1.558 1.715 0.111 215 HD1 HIS 31 HD1 HIS 31 0.734 1.990 3.106 216 HD2 HIS 31 HD2 HIS 31 0.856 0.912 -0.905 217 HE1 HIS 31 HE1 HIS 31 3.022 1.010 2.742 218 H GLN 32 H GLN 32 -1.394 3.543 -1.639 219 HA GLN 32 HA GLN 32 1.049 3.656 -2.707 220 HB2 GLN 32 1HB GLN 32 -1.512 4.929 -3.542 221 HB3 GLN 32 2HB GLN 32 -0.055 5.355 -4.430 222 HG2 GLN 32 1HG GLN 32 0.338 3.009 -4.941 223 HG3 GLN 32 2HG GLN 32 -1.101 2.562 -4.025 224 HE21 GLN 32 1HE2 GLN 32 -0.243 2.399 -6.940 225 HE22 GLN 32 2HE2 GLN 32 -1.599 3.031 -7.803 226 H VAL 33 H VAL 33 -0.733 6.622 -1.836 227 HA VAL 33 HA VAL 33 0.971 8.595 -2.416 228 HB VAL 33 HB VAL 33 -0.384 8.305 0.269 229 HG11 VAL 33 1HG1 VAL 33 1.501 10.105 -0.210 230 HG12 VAL 33 2HG1 VAL 33 0.152 10.946 -0.976 231 HG13 VAL 33 3HG1 VAL 33 0.058 10.493 0.726 232 HG21 VAL 33 3HG2 VAL 33 -1.573 8.360 -2.186 233 HG22 VAL 33 1HG2 VAL 33 -2.325 8.901 -0.685 234 HG23 VAL 33 2HG2 VAL 33 -1.552 10.070 -1.756 235 H LEU 34 H LEU 34 1.250 6.688 0.585 236 HA LEU 34 HA LEU 34 3.433 7.762 1.755 237 HB2 LEU 34 1HB LEU 34 2.759 4.852 1.398 238 HB3 LEU 34 2HB LEU 34 4.058 5.415 2.447 239 HG LEU 34 HG LEU 34 1.163 6.190 2.782 240 HD11 LEU 34 1HD1 LEU 34 2.468 4.357 4.691 241 HD12 LEU 34 2HD1 LEU 34 2.039 3.679 3.121 242 HD13 LEU 34 3HD1 LEU 34 0.797 4.418 4.131 243 HD21 LEU 34 3HD2 LEU 34 1.973 6.808 5.064 244 HD22 LEU 34 1HD2 LEU 34 2.626 7.804 3.762 245 HD23 LEU 34 2HD2 LEU 34 3.620 6.543 4.491 246 H HIS 35 H HIS 35 3.590 5.265 -0.784 247 HA HIS 35 HA HIS 35 6.420 5.391 -1.028 248 HB2 HIS 35 1HB HIS 35 4.267 4.248 -2.810 249 HB3 HIS 35 2HB HIS 35 5.983 4.132 -3.192 250 HD1 HIS 35 HD1 HIS 35 7.306 3.200 -0.757 251 HD2 HIS 35 HD2 HIS 35 3.488 1.899 -1.754 252 HE1 HIS 35 HE1 HIS 35 6.988 1.034 0.483 253 H MET 36 H MET 36 3.870 6.418 -3.309 254 HA MET 36 HA MET 36 5.353 7.699 -5.185 255 HB2 MET 36 1HB MET 36 2.859 7.462 -5.169 256 HB3 MET 36 2HB MET 36 2.785 8.820 -4.053 257 HG2 MET 36 1HG MET 36 2.325 9.469 -6.371 258 HG3 MET 36 2HG MET 36 3.734 10.289 -5.703 259 HE1 MET 36 3HE MET 36 3.853 6.461 -7.836 260 HE2 MET 36 1HE MET 36 2.393 7.383 -7.476 261 HE3 MET 36 2HE MET 36 3.148 7.513 -9.064 262 H GLY 37 H GLY 37 6.217 9.754 -5.509 263 HA2 GLY 37 1HA GLY 37 7.060 11.831 -4.945 264 HA3 GLY 37 2HA GLY 37 6.099 11.777 -3.475 265 H GLN 38 H GLN 38 8.839 9.938 -4.834 266 HA GLN 38 HA GLN 38 10.001 9.104 -2.503 267 HB2 GLN 38 1HB GLN 38 11.483 10.067 -4.955 268 HB3 GLN 38 2HB GLN 38 12.119 8.992 -3.718 269 HG2 GLN 38 1HG GLN 38 10.400 7.334 -4.312 270 HG3 GLN 38 2HG GLN 38 9.844 8.405 -5.598 271 HE21 GLN 38 1HE2 GLN 38 10.519 7.773 -7.505 272 HE22 GLN 38 2HE2 GLN 38 12.052 7.062 -7.867 273 H LYS 39 H LYS 39 12.117 9.891 -1.553 274 HA LYS 39 HA LYS 39 11.873 12.768 -1.012 275 HB2 LYS 39 1HB LYS 39 13.248 10.611 0.600 276 HB3 LYS 39 2HB LYS 39 13.116 12.303 1.059 277 HG2 LYS 39 1HG LYS 39 10.619 10.793 0.494 278 HG3 LYS 39 2HG LYS 39 11.471 10.489 2.010 279 HD2 LYS 39 1HD LYS 39 10.896 13.296 1.148 280 HD3 LYS 39 2HD LYS 39 9.631 12.328 1.910 281 HE2 LYS 39 1HE LYS 39 12.353 12.615 3.143 282 HE3 LYS 39 2HE LYS 39 11.089 13.814 3.412 283 HZ1 LYS 39 3HZ LYS 39 10.202 12.508 4.942 284 HZ2 LYS 39 1HZ LYS 39 11.450 11.386 4.726 285 HZ3 LYS 39 2HZ LYS 39 10.023 11.248 3.828 286 H ASN 40 H ASN 40 13.378 14.117 -1.739 287 HA ASN 40 HA ASN 40 15.878 12.985 -2.785 288 HB2 ASN 40 1HB ASN 40 14.934 15.790 -3.308 289 HB3 ASN 40 2HB ASN 40 15.993 14.779 -4.287 290 HD21 ASN 40 1HD2 ASN 40 12.842 15.855 -3.778 291 HD22 ASN 40 2HD2 ASN 40 12.040 14.820 -4.906 292 H SER 41 H SER 41 16.963 12.848 -0.786 293 HA SER 41 HA SER 41 17.872 15.453 0.237 294 HB2 SER 41 1HB SER 41 17.984 14.405 2.517 295 HB3 SER 41 2HB SER 41 16.345 14.599 1.896 296 HG SER 41 HG SER 41 17.269 12.431 2.830 297 H GLY 42 H GLY 42 19.199 14.020 -1.735 298 HA2 GLY 42 1HA GLY 42 21.793 13.825 -0.638 299 HA3 GLY 42 2HA GLY 42 21.139 12.209 -0.860 300 HA PRO 43 HA PRO 43 22.443 12.236 -5.042 301 HB2 PRO 43 1HB PRO 43 20.527 10.713 -6.216 302 HB3 PRO 43 2HB PRO 43 21.767 10.043 -5.149 303 HG2 PRO 43 1HG PRO 43 18.924 10.753 -4.537 304 HG3 PRO 43 2HG PRO 43 19.851 9.323 -4.046 305 HD2 PRO 43 1HD PRO 43 19.425 11.424 -2.391 306 HD3 PRO 43 2HD PRO 43 20.903 10.442 -2.326 307 H SER 44 H SER 44 21.907 12.939 -7.199 308 HA SER 44 HA SER 44 20.001 15.136 -7.176 309 HB2 SER 44 1HB SER 44 21.108 15.947 -9.108 310 HB3 SER 44 2HB SER 44 22.390 15.294 -8.088 311 HG SER 44 HG SER 44 21.791 13.270 -9.462 312 H SER 45 H SER 45 18.751 15.491 -9.275 313 HA SER 45 HA SER 45 17.474 12.945 -10.027 314 HB2 SER 45 1HB SER 45 16.331 15.746 -9.931 315 HB3 SER 45 2HB SER 45 15.467 14.340 -10.551 316 HG SER 45 HG SER 45 15.206 13.605 -8.570 317 H GLY 46 H GLY 46 16.302 13.155 -12.234 318 HA2 GLY 46 1HA GLY 46 18.342 13.721 -14.184 319 HA3 GLY 46 2HA GLY 46 16.745 13.061 -14.504 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -22.325 -23.767 -19.037 2 HA2 GLY 1 1HA GLY 1 -23.576 -24.326 -16.713 3 HA3 GLY 1 2HA GLY 1 -21.973 -24.992 -16.439 4 H SER 2 H SER 2 -22.960 -22.982 -14.837 5 HA SER 2 HA SER 2 -20.952 -20.954 -15.235 6 HB2 SER 2 1HB SER 2 -23.891 -20.292 -15.430 7 HB3 SER 2 2HB SER 2 -22.675 -19.085 -15.013 8 HG SER 2 HG SER 2 -23.202 -20.314 -17.437 9 H SER 3 H SER 3 -20.544 -19.722 -13.364 10 HA SER 3 HA SER 3 -22.080 -20.407 -10.966 11 HB2 SER 3 1HB SER 3 -19.060 -20.573 -11.095 12 HB3 SER 3 2HB SER 3 -20.072 -20.911 -9.691 13 HG SER 3 HG SER 3 -19.414 -22.810 -10.840 14 H GLY 4 H GLY 4 -21.121 -19.072 -9.035 15 HA2 GLY 4 1HA GLY 4 -21.408 -16.329 -9.748 16 HA3 GLY 4 2HA GLY 4 -21.033 -16.950 -8.148 17 H SER 5 H SER 5 -18.644 -18.295 -8.725 18 HA SER 5 HA SER 5 -16.889 -16.048 -9.477 19 HB2 SER 5 1HB SER 5 -16.567 -18.124 -7.308 20 HB3 SER 5 2HB SER 5 -15.224 -17.136 -7.883 21 HG SER 5 HG SER 5 -17.662 -16.046 -6.934 22 H SER 6 H SER 6 -17.803 -17.829 -11.397 23 HA SER 6 HA SER 6 -16.592 -20.113 -12.039 24 HB2 SER 6 1HB SER 6 -16.762 -17.740 -13.913 25 HB3 SER 6 2HB SER 6 -16.577 -19.424 -14.404 26 HG SER 6 HG SER 6 -18.818 -18.070 -13.694 27 H GLY 7 H GLY 7 -14.588 -20.839 -11.813 28 HA2 GLY 7 1HA GLY 7 -12.314 -20.920 -12.479 29 HA3 GLY 7 2HA GLY 7 -12.368 -19.189 -12.780 30 H SER 8 H SER 8 -10.233 -19.660 -11.534 31 HA SER 8 HA SER 8 -10.776 -19.241 -8.668 32 HB2 SER 8 1HB SER 8 -8.552 -20.789 -9.996 33 HB3 SER 8 2HB SER 8 -8.448 -20.238 -8.324 34 HG SER 8 HG SER 8 -10.125 -21.544 -7.782 35 H ARG 9 H ARG 9 -10.871 -16.961 -9.239 36 HA ARG 9 HA ARG 9 -8.229 -15.781 -9.780 37 HB2 ARG 9 1HB ARG 9 -11.022 -14.904 -10.383 38 HB3 ARG 9 2HB ARG 9 -9.783 -13.679 -10.144 39 HG2 ARG 9 1HG ARG 9 -9.642 -13.952 -12.398 40 HG3 ARG 9 2HG ARG 9 -8.463 -15.156 -11.876 41 HD2 ARG 9 1HD ARG 9 -11.304 -15.989 -12.161 42 HD3 ARG 9 2HD ARG 9 -10.357 -15.733 -13.627 43 HE ARG 9 HE ARG 9 -10.072 -17.877 -11.724 44 HH11 ARG 9 1HH1 ARG 9 -8.528 -16.033 -14.242 45 HH12 ARG 9 2HH1 ARG 9 -7.388 -17.277 -14.634 46 HH21 ARG 9 1HH2 ARG 9 -8.576 -19.523 -12.231 47 HH22 ARG 9 2HH2 ARG 9 -7.417 -19.262 -13.490 48 H GLU 10 H GLU 10 -7.285 -14.472 -8.318 49 HA GLU 10 HA GLU 10 -8.309 -14.424 -5.653 50 HB2 GLU 10 1HB GLU 10 -5.913 -13.141 -6.958 51 HB3 GLU 10 2HB GLU 10 -6.296 -12.914 -5.258 52 HG2 GLU 10 1HG GLU 10 -6.266 -15.443 -5.066 53 HG3 GLU 10 2HG GLU 10 -5.529 -15.447 -6.667 54 H LYS 11 H LYS 11 -7.588 -11.831 -7.993 55 HA LYS 11 HA LYS 11 -8.451 -9.745 -8.268 56 HB2 LYS 11 1HB LYS 11 -10.775 -11.080 -6.885 57 HB3 LYS 11 2HB LYS 11 -10.843 -9.415 -7.448 58 HG2 LYS 11 1HG LYS 11 -10.562 -10.090 -9.715 59 HG3 LYS 11 2HG LYS 11 -10.209 -11.751 -9.234 60 HD2 LYS 11 1HD LYS 11 -12.485 -11.968 -8.345 61 HD3 LYS 11 2HD LYS 11 -12.834 -10.311 -8.843 62 HE2 LYS 11 1HE LYS 11 -12.531 -10.894 -11.160 63 HE3 LYS 11 2HE LYS 11 -12.000 -12.517 -10.722 64 HZ1 LYS 11 3HZ LYS 11 -14.659 -11.478 -10.990 65 HZ2 LYS 11 1HZ LYS 11 -14.427 -12.294 -9.526 66 HZ3 LYS 11 2HZ LYS 11 -14.122 -13.083 -10.990 67 H SER 12 H SER 12 -6.794 -10.308 -5.972 68 HA SER 12 HA SER 12 -7.894 -8.761 -3.783 69 HB2 SER 12 1HB SER 12 -5.091 -9.859 -4.100 70 HB3 SER 12 2HB SER 12 -5.844 -9.295 -2.608 71 HG SER 12 HG SER 12 -7.307 -11.019 -2.761 72 H HIS 13 H HIS 13 -6.364 -7.062 -2.795 73 HA HIS 13 HA HIS 13 -5.443 -5.293 -4.964 74 HB2 HIS 13 1HB HIS 13 -6.629 -4.608 -2.269 75 HB3 HIS 13 2HB HIS 13 -5.916 -3.422 -3.357 76 HD1 HIS 13 HD1 HIS 13 -7.105 -3.839 -5.974 77 HD2 HIS 13 HD2 HIS 13 -9.306 -4.512 -2.515 78 HE1 HIS 13 HE1 HIS 13 -9.517 -3.687 -6.672 79 H GLN 14 H GLN 14 -3.684 -7.183 -4.036 80 HA GLN 14 HA GLN 14 -2.061 -6.268 -1.894 81 HB2 GLN 14 1HB GLN 14 -2.103 -8.617 -2.665 82 HB3 GLN 14 2HB GLN 14 -1.339 -8.123 -4.170 83 HG2 GLN 14 1HG GLN 14 0.594 -7.296 -2.831 84 HG3 GLN 14 2HG GLN 14 -0.161 -8.009 -1.406 85 HE21 GLN 14 1HE2 GLN 14 2.184 -8.955 -1.742 86 HE22 GLN 14 2HE2 GLN 14 2.210 -10.507 -2.502 87 H CYS 15 H CYS 15 0.045 -5.362 -1.985 88 HA CYS 15 HA CYS 15 0.380 -3.524 -4.237 89 HB2 CYS 15 1HB CYS 15 0.378 -2.497 -2.040 90 HB3 CYS 15 2HB CYS 15 1.651 -3.583 -1.493 91 H ARG 16 H ARG 16 1.528 -4.381 -5.853 92 HA ARG 16 HA ARG 16 3.687 -6.243 -5.333 93 HB2 ARG 16 1HB ARG 16 2.019 -6.414 -7.260 94 HB3 ARG 16 2HB ARG 16 2.909 -5.094 -8.008 95 HG2 ARG 16 1HG ARG 16 3.751 -7.077 -8.955 96 HG3 ARG 16 2HG ARG 16 4.972 -6.531 -7.803 97 HD2 ARG 16 1HD ARG 16 3.725 -8.092 -6.143 98 HD3 ARG 16 2HD ARG 16 3.071 -8.832 -7.604 99 HE ARG 16 HE ARG 16 5.730 -8.792 -8.078 100 HH11 ARG 16 1HH1 ARG 16 3.799 -9.933 -5.416 101 HH12 ARG 16 2HH1 ARG 16 4.906 -11.193 -4.983 102 HH21 ARG 16 1HH2 ARG 16 7.196 -10.447 -7.518 103 HH22 ARG 16 2HH2 ARG 16 6.839 -11.484 -6.178 104 H GLU 17 H GLU 17 4.278 -3.836 -4.178 105 HA GLU 17 HA GLU 17 6.529 -2.929 -5.833 106 HB2 GLU 17 1HB GLU 17 4.368 -1.287 -4.615 107 HB3 GLU 17 2HB GLU 17 6.002 -0.640 -4.561 108 HG2 GLU 17 1HG GLU 17 6.023 -1.199 -7.097 109 HG3 GLU 17 2HG GLU 17 4.269 -1.205 -6.920 110 H CYS 18 H CYS 18 5.115 -3.365 -2.653 111 HA CYS 18 HA CYS 18 7.827 -3.424 -1.523 112 HB2 CYS 18 1HB CYS 18 7.159 -2.204 0.421 113 HB3 CYS 18 2HB CYS 18 6.645 -1.266 -0.977 114 H GLY 19 H GLY 19 4.424 -4.330 -1.142 115 HA2 GLY 19 1HA GLY 19 4.009 -6.739 -0.807 116 HA3 GLY 19 2HA GLY 19 5.338 -6.717 0.343 117 H GLU 20 H GLU 20 2.056 -5.569 -0.250 118 HA GLU 20 HA GLU 20 1.352 -5.962 2.496 119 HB2 GLU 20 1HB GLU 20 1.737 -3.185 1.425 120 HB3 GLU 20 2HB GLU 20 0.534 -3.498 2.667 121 HG2 GLU 20 1HG GLU 20 2.458 -4.611 3.955 122 HG3 GLU 20 2HG GLU 20 3.509 -3.759 2.824 123 H ILE 21 H ILE 21 -0.642 -6.740 2.447 124 HA ILE 21 HA ILE 21 -2.343 -6.167 0.140 125 HB ILE 21 HB ILE 21 -2.715 -8.203 2.340 126 HG12 ILE 21 1HG1 ILE 21 -1.881 -8.671 -0.525 127 HG13 ILE 21 2HG1 ILE 21 -0.733 -8.535 0.802 128 HG21 ILE 21 1HG2 ILE 21 -4.848 -7.974 1.574 129 HG22 ILE 21 2HG2 ILE 21 -4.334 -7.412 -0.016 130 HG23 ILE 21 3HG2 ILE 21 -4.246 -9.127 0.383 131 HD11 ILE 21 3HD1 ILE 21 -2.314 -10.787 -0.043 132 HD12 ILE 21 1HD1 ILE 21 -0.945 -10.721 1.066 133 HD13 ILE 21 2HD1 ILE 21 -2.578 -10.421 1.661 134 H PHE 22 H PHE 22 -4.543 -5.558 0.379 135 HA PHE 22 HA PHE 22 -5.351 -4.535 2.996 136 HB2 PHE 22 1HB PHE 22 -5.545 -2.841 0.502 137 HB3 PHE 22 2HB PHE 22 -5.928 -2.362 2.153 138 HD1 PHE 22 HD2 PHE 22 -3.940 -2.536 3.850 139 HD2 PHE 22 HD1 PHE 22 -3.495 -2.287 -0.376 140 HE1 PHE 22 HE2 PHE 22 -1.639 -1.714 4.144 141 HE2 PHE 22 HE1 PHE 22 -1.194 -1.465 -0.089 142 HZ PHE 22 HZ PHE 22 -0.263 -1.177 2.173 143 H PHE 23 H PHE 23 -7.564 -4.450 3.326 144 HA PHE 23 HA PHE 23 -9.122 -6.153 1.607 145 HB2 PHE 23 1HB PHE 23 -9.857 -4.637 4.120 146 HB3 PHE 23 2HB PHE 23 -10.920 -5.771 3.291 147 HD1 PHE 23 HD2 PHE 23 -9.678 -8.122 2.787 148 HD2 PHE 23 HD1 PHE 23 -8.778 -5.438 5.966 149 HE1 PHE 23 HE2 PHE 23 -8.701 -9.978 4.073 150 HE2 PHE 23 HE1 PHE 23 -7.799 -7.290 7.257 151 HZ PHE 23 HZ PHE 23 -7.761 -9.564 6.311 152 H GLN 24 H GLN 24 -9.405 -2.778 2.713 153 HA GLN 24 HA GLN 24 -11.435 -2.254 0.700 154 HB2 GLN 24 1HB GLN 24 -11.290 -1.335 3.165 155 HB3 GLN 24 2HB GLN 24 -10.260 -0.115 2.426 156 HG2 GLN 24 1HG GLN 24 -12.315 0.893 2.332 157 HG3 GLN 24 2HG GLN 24 -12.220 0.137 0.742 158 HE21 GLN 24 1HE2 GLN 24 -14.016 0.462 3.559 159 HE22 GLN 24 2HE2 GLN 24 -15.169 -0.792 3.274 160 H TYR 25 H TYR 25 -11.203 -0.905 -1.049 161 HA TYR 25 HA TYR 25 -8.640 -0.746 -2.229 162 HB2 TYR 25 1HB TYR 25 -10.870 -0.846 -3.433 163 HB3 TYR 25 2HB TYR 25 -11.063 0.860 -3.046 164 HD1 TYR 25 HD1 TYR 25 -8.760 -1.516 -4.754 165 HD2 TYR 25 HD2 TYR 25 -10.172 2.487 -4.460 166 HE1 TYR 25 HE1 TYR 25 -7.476 -0.922 -6.766 167 HE2 TYR 25 HE2 TYR 25 -8.893 3.092 -6.472 168 HH TYR 25 HH TYR 25 -6.983 2.317 -7.740 169 H VAL 26 H VAL 26 -10.584 1.528 -0.401 170 HA VAL 26 HA VAL 26 -9.250 3.903 -0.982 171 HB VAL 26 HB VAL 26 -10.551 3.047 1.606 172 HG11 VAL 26 1HG1 VAL 26 -9.201 5.547 0.804 173 HG12 VAL 26 2HG1 VAL 26 -10.753 5.725 1.624 174 HG13 VAL 26 3HG1 VAL 26 -9.437 4.846 2.404 175 HG21 VAL 26 3HG2 VAL 26 -11.560 3.941 -0.965 176 HG22 VAL 26 1HG2 VAL 26 -12.417 3.218 0.396 177 HG23 VAL 26 2HG2 VAL 26 -12.120 4.956 0.364 178 H SER 27 H SER 27 -8.374 1.266 1.140 179 HA SER 27 HA SER 27 -6.330 2.638 2.562 180 HB2 SER 27 1HB SER 27 -7.094 -0.237 2.200 181 HB3 SER 27 2HB SER 27 -5.543 0.160 2.939 182 HG SER 27 HG SER 27 -7.690 -0.027 4.236 183 H LEU 28 H LEU 28 -6.446 0.875 -0.455 184 HA LEU 28 HA LEU 28 -3.632 0.613 -0.791 185 HB2 LEU 28 1HB LEU 28 -5.186 -0.829 -1.966 186 HB3 LEU 28 2HB LEU 28 -5.878 0.560 -2.802 187 HG LEU 28 HG LEU 28 -3.558 0.887 -3.819 188 HD11 LEU 28 1HD1 LEU 28 -2.803 -1.831 -3.793 189 HD12 LEU 28 2HD1 LEU 28 -3.029 -1.337 -2.115 190 HD13 LEU 28 3HD1 LEU 28 -1.918 -0.445 -3.155 191 HD21 LEU 28 3HD2 LEU 28 -5.388 0.110 -5.153 192 HD22 LEU 28 1HD2 LEU 28 -5.254 -1.515 -4.481 193 HD23 LEU 28 2HD2 LEU 28 -3.979 -0.884 -5.524 194 H ILE 29 H ILE 29 -5.933 2.644 -2.614 195 HA ILE 29 HA ILE 29 -4.216 4.235 -3.983 196 HB ILE 29 HB ILE 29 -6.766 4.330 -3.961 197 HG12 ILE 29 1HG1 ILE 29 -5.387 7.017 -3.961 198 HG13 ILE 29 2HG1 ILE 29 -5.191 5.838 -5.254 199 HG21 ILE 29 1HG2 ILE 29 -6.256 6.377 -1.807 200 HG22 ILE 29 2HG2 ILE 29 -7.810 5.985 -2.542 201 HG23 ILE 29 3HG2 ILE 29 -6.978 4.790 -1.547 202 HD11 ILE 29 3HD1 ILE 29 -7.084 6.475 -6.202 203 HD12 ILE 29 1HD1 ILE 29 -7.976 6.283 -4.693 204 HD13 ILE 29 2HD1 ILE 29 -7.146 7.800 -5.040 205 H GLU 30 H GLU 30 -4.889 4.356 -0.560 206 HA GLU 30 HA GLU 30 -3.506 6.866 -0.176 207 HB2 GLU 30 1HB GLU 30 -5.390 6.325 1.266 208 HB3 GLU 30 2HB GLU 30 -4.588 4.856 1.805 209 HG2 GLU 30 1HG GLU 30 -2.738 6.372 2.666 210 HG3 GLU 30 2HG GLU 30 -3.867 7.701 2.412 211 H HIS 31 H HIS 31 -2.911 3.437 0.491 212 HA HIS 31 HA HIS 31 -0.456 3.727 1.809 213 HB2 HIS 31 1HB HIS 31 -1.385 1.602 2.002 214 HB3 HIS 31 2HB HIS 31 -1.754 1.496 0.284 215 HD1 HIS 31 HD1 HIS 31 1.128 1.179 2.691 216 HD2 HIS 31 HD2 HIS 31 0.210 0.350 -1.276 217 HE1 HIS 31 HE1 HIS 31 3.047 -0.200 1.831 218 H GLN 32 H GLN 32 -1.286 3.820 -1.570 219 HA GLN 32 HA GLN 32 1.294 3.376 -2.635 220 HB2 GLN 32 1HB GLN 32 -1.052 4.898 -3.784 221 HB3 GLN 32 2HB GLN 32 0.384 4.436 -4.688 222 HG2 GLN 32 1HG GLN 32 -0.123 2.083 -4.306 223 HG3 GLN 32 2HG GLN 32 -1.555 2.538 -3.384 224 HE21 GLN 32 1HE2 GLN 32 -0.049 2.877 -6.563 225 HE22 GLN 32 2HE2 GLN 32 -1.527 2.907 -7.456 226 H VAL 33 H VAL 33 -0.400 6.279 -1.574 227 HA VAL 33 HA VAL 33 1.427 8.178 -2.551 228 HB VAL 33 HB VAL 33 -0.386 8.336 -0.140 229 HG11 VAL 33 1HG1 VAL 33 0.782 10.184 0.341 230 HG12 VAL 33 2HG1 VAL 33 1.578 10.202 -1.234 231 HG13 VAL 33 3HG1 VAL 33 -0.034 10.894 -1.051 232 HG21 VAL 33 3HG2 VAL 33 -1.630 7.960 -2.170 233 HG22 VAL 33 1HG2 VAL 33 -1.834 9.640 -1.674 234 HG23 VAL 33 2HG2 VAL 33 -0.740 9.238 -2.997 235 H LEU 34 H LEU 34 1.187 6.615 0.635 236 HA LEU 34 HA LEU 34 3.131 7.842 2.058 237 HB2 LEU 34 1HB LEU 34 2.604 4.883 1.865 238 HB3 LEU 34 2HB LEU 34 3.616 5.624 3.103 239 HG LEU 34 HG LEU 34 0.717 6.343 2.736 240 HD11 LEU 34 1HD1 LEU 34 1.633 3.839 3.483 241 HD12 LEU 34 2HD1 LEU 34 0.035 4.513 3.798 242 HD13 LEU 34 3HD1 LEU 34 1.305 4.655 5.012 243 HD21 LEU 34 3HD2 LEU 34 1.928 7.972 3.984 244 HD22 LEU 34 1HD2 LEU 34 2.729 6.728 4.944 245 HD23 LEU 34 2HD2 LEU 34 0.998 7.010 5.134 246 H HIS 35 H HIS 35 3.713 5.170 -0.225 247 HA HIS 35 HA HIS 35 6.383 4.803 -0.038 248 HB2 HIS 35 1HB HIS 35 4.620 4.904 -2.473 249 HB3 HIS 35 2HB HIS 35 6.334 4.520 -2.606 250 HD1 HIS 35 HD1 HIS 35 6.703 2.655 -0.230 251 HD2 HIS 35 HD2 HIS 35 3.438 2.484 -2.793 252 HE1 HIS 35 HE1 HIS 35 5.807 0.314 -0.023 253 H MET 36 H MET 36 4.799 7.461 -1.764 254 HA MET 36 HA MET 36 7.422 8.792 -1.954 255 HB2 MET 36 1HB MET 36 6.192 10.140 -3.804 256 HB3 MET 36 2HB MET 36 6.783 8.525 -4.170 257 HG2 MET 36 1HG MET 36 4.661 7.607 -4.175 258 HG3 MET 36 2HG MET 36 3.982 8.920 -3.217 259 HE1 MET 36 3HE MET 36 2.091 9.065 -6.671 260 HE2 MET 36 1HE MET 36 2.475 7.786 -5.519 261 HE3 MET 36 2HE MET 36 1.829 9.323 -4.946 262 H GLY 37 H GLY 37 6.950 9.494 0.281 263 HA2 GLY 37 1HA GLY 37 5.956 12.155 0.303 264 HA3 GLY 37 2HA GLY 37 4.797 11.066 1.052 265 H GLN 38 H GLN 38 8.129 12.226 1.215 266 HA GLN 38 HA GLN 38 8.032 11.868 4.120 267 HB2 GLN 38 1HB GLN 38 9.232 9.926 3.109 268 HB3 GLN 38 2HB GLN 38 10.406 11.051 2.439 269 HG2 GLN 38 1HG GLN 38 11.122 11.706 4.627 270 HG3 GLN 38 2HG GLN 38 9.835 10.762 5.377 271 HE21 GLN 38 1HE2 GLN 38 12.100 10.161 6.391 272 HE22 GLN 38 2HE2 GLN 38 12.786 8.709 5.754 273 H LYS 39 H LYS 39 8.411 13.766 5.028 274 HA LYS 39 HA LYS 39 9.289 16.047 3.692 275 HB2 LYS 39 1HB LYS 39 8.033 16.161 5.776 276 HB3 LYS 39 2HB LYS 39 9.367 15.419 6.649 277 HG2 LYS 39 1HG LYS 39 10.770 17.363 6.142 278 HG3 LYS 39 2HG LYS 39 9.412 18.111 5.298 279 HD2 LYS 39 1HD LYS 39 9.426 19.064 7.457 280 HD3 LYS 39 2HD LYS 39 8.119 17.877 7.469 281 HE2 LYS 39 1HE LYS 39 9.437 16.317 8.681 282 HE3 LYS 39 2HE LYS 39 10.902 17.268 8.442 283 HZ1 LYS 39 3HZ LYS 39 8.552 18.207 9.992 284 HZ2 LYS 39 1HZ LYS 39 10.064 18.958 9.877 285 HZ3 LYS 39 2HZ LYS 39 9.913 17.481 10.686 286 H ASN 40 H ASN 40 11.229 16.793 3.125 287 HA ASN 40 HA ASN 40 13.611 15.657 4.427 288 HB2 ASN 40 1HB ASN 40 14.715 15.875 2.120 289 HB3 ASN 40 2HB ASN 40 13.593 14.538 2.353 290 HD21 ASN 40 1HD2 ASN 40 12.133 14.261 0.836 291 HD22 ASN 40 2HD2 ASN 40 11.582 15.461 -0.279 292 H SER 41 H SER 41 13.883 17.488 5.701 293 HA SER 41 HA SER 41 15.121 19.728 4.340 294 HB2 SER 41 1HB SER 41 13.724 21.435 5.306 295 HB3 SER 41 2HB SER 41 12.673 20.291 4.471 296 HG SER 41 HG SER 41 11.979 20.914 6.626 297 H GLY 42 H GLY 42 15.934 21.363 6.032 298 HA2 GLY 42 1HA GLY 42 17.355 21.736 7.795 299 HA3 GLY 42 2HA GLY 42 16.242 20.742 8.724 300 HA PRO 43 HA PRO 43 20.456 18.682 8.349 301 HB2 PRO 43 1HB PRO 43 21.009 18.640 11.007 302 HB3 PRO 43 2HB PRO 43 21.456 19.987 9.954 303 HG2 PRO 43 1HG PRO 43 19.121 19.726 11.809 304 HG3 PRO 43 2HG PRO 43 20.189 21.117 11.543 305 HD2 PRO 43 1HD PRO 43 17.730 20.933 10.424 306 HD3 PRO 43 2HD PRO 43 19.084 21.758 9.625 307 H SER 44 H SER 44 21.115 16.634 9.505 308 HA SER 44 HA SER 44 18.751 14.956 9.822 309 HB2 SER 44 1HB SER 44 21.684 14.280 9.510 310 HB3 SER 44 2HB SER 44 20.412 13.076 9.717 311 HG SER 44 HG SER 44 20.875 13.409 7.515 312 H SER 45 H SER 45 18.062 15.538 11.893 313 HA SER 45 HA SER 45 19.529 15.819 14.191 314 HB2 SER 45 1HB SER 45 16.971 16.040 13.793 315 HB3 SER 45 2HB SER 45 16.912 14.339 14.254 316 HG SER 45 HG SER 45 16.664 15.995 15.976 317 H GLY 46 H GLY 46 20.170 14.450 15.882 318 HA2 GLY 46 1HA GLY 46 21.589 12.238 15.408 319 HA3 GLY 46 2HA GLY 46 20.700 12.431 16.912 Start of MODEL 17 1 H1 GLY 1 H GLY 1 8.586 -15.200 -3.658 2 HA2 GLY 1 1HA GLY 1 6.461 -14.443 -4.128 3 HA3 GLY 1 2HA GLY 1 6.986 -14.167 -5.782 4 H SER 2 H SER 2 7.497 -16.463 -6.883 5 HA SER 2 HA SER 2 5.001 -17.657 -7.307 6 HB2 SER 2 1HB SER 2 7.236 -17.664 -8.728 7 HB3 SER 2 2HB SER 2 7.497 -19.195 -7.893 8 HG SER 2 HG SER 2 6.341 -19.328 -9.939 9 H SER 3 H SER 3 4.773 -20.161 -7.169 10 HA SER 3 HA SER 3 4.399 -21.978 -5.853 11 HB2 SER 3 1HB SER 3 7.029 -21.042 -4.708 12 HB3 SER 3 2HB SER 3 6.214 -22.494 -4.126 13 HG SER 3 HG SER 3 7.498 -22.017 -6.544 14 H GLY 4 H GLY 4 2.994 -19.673 -5.200 15 HA2 GLY 4 1HA GLY 4 2.374 -20.235 -2.425 16 HA3 GLY 4 2HA GLY 4 2.976 -18.612 -2.727 17 H SER 5 H SER 5 0.259 -20.610 -2.679 18 HA SER 5 HA SER 5 -1.343 -18.500 -3.968 19 HB2 SER 5 1HB SER 5 -1.747 -21.495 -4.131 20 HB3 SER 5 2HB SER 5 -2.923 -20.305 -4.690 21 HG SER 5 HG SER 5 -1.500 -19.635 -6.245 22 H SER 6 H SER 6 -3.079 -17.781 -2.865 23 HA SER 6 HA SER 6 -3.736 -19.155 -0.341 24 HB2 SER 6 1HB SER 6 -3.941 -16.184 -0.884 25 HB3 SER 6 2HB SER 6 -4.211 -16.999 0.657 26 HG SER 6 HG SER 6 -1.896 -16.158 -0.448 27 H GLY 7 H GLY 7 -5.050 -17.008 -2.860 28 HA2 GLY 7 1HA GLY 7 -7.723 -18.115 -2.269 29 HA3 GLY 7 2HA GLY 7 -7.440 -16.516 -2.941 30 H SER 8 H SER 8 -9.195 -18.347 -4.098 31 HA SER 8 HA SER 8 -7.779 -19.462 -6.398 32 HB2 SER 8 1HB SER 8 -9.663 -20.651 -5.034 33 HB3 SER 8 2HB SER 8 -10.749 -19.653 -5.999 34 HG SER 8 HG SER 8 -9.086 -21.754 -6.779 35 H ARG 9 H ARG 9 -7.232 -17.591 -7.529 36 HA ARG 9 HA ARG 9 -7.513 -15.769 -8.878 37 HB2 ARG 9 1HB ARG 9 -9.865 -17.482 -9.689 38 HB3 ARG 9 2HB ARG 9 -9.349 -16.054 -10.576 39 HG2 ARG 9 1HG ARG 9 -7.030 -17.305 -10.567 40 HG3 ARG 9 2HG ARG 9 -8.063 -18.720 -10.353 41 HD2 ARG 9 1HD ARG 9 -9.098 -18.435 -12.403 42 HD3 ARG 9 2HD ARG 9 -8.695 -16.720 -12.482 43 HE ARG 9 HE ARG 9 -6.350 -18.312 -12.541 44 HH11 ARG 9 1HH1 ARG 9 -9.035 -17.286 -14.504 45 HH12 ARG 9 2HH1 ARG 9 -8.172 -17.443 -15.998 46 HH21 ARG 9 1HH2 ARG 9 -5.203 -18.524 -14.501 47 HH22 ARG 9 2HH2 ARG 9 -5.992 -18.148 -15.995 48 H GLU 10 H GLU 10 -8.498 -15.334 -6.296 49 HA GLU 10 HA GLU 10 -11.120 -14.220 -6.340 50 HB2 GLU 10 1HB GLU 10 -8.837 -14.207 -4.410 51 HB3 GLU 10 2HB GLU 10 -10.154 -13.066 -4.177 52 HG2 GLU 10 1HG GLU 10 -11.748 -14.865 -4.027 53 HG3 GLU 10 2HG GLU 10 -10.494 -16.048 -4.397 54 H LYS 11 H LYS 11 -11.259 -11.819 -5.424 55 HA LYS 11 HA LYS 11 -9.774 -10.152 -7.344 56 HB2 LYS 11 1HB LYS 11 -12.377 -10.367 -7.367 57 HB3 LYS 11 2HB LYS 11 -12.302 -9.271 -5.993 58 HG2 LYS 11 1HG LYS 11 -10.993 -7.696 -7.425 59 HG3 LYS 11 2HG LYS 11 -11.323 -8.764 -8.792 60 HD2 LYS 11 1HD LYS 11 -13.813 -8.483 -7.957 61 HD3 LYS 11 2HD LYS 11 -13.168 -6.992 -7.267 62 HE2 LYS 11 1HE LYS 11 -13.858 -6.283 -9.349 63 HE3 LYS 11 2HE LYS 11 -12.161 -6.653 -9.645 64 HZ1 LYS 11 3HZ LYS 11 -12.802 -8.055 -11.214 65 HZ2 LYS 11 1HZ LYS 11 -14.433 -7.755 -10.877 66 HZ3 LYS 11 2HZ LYS 11 -13.615 -8.991 -10.063 67 H SER 12 H SER 12 -7.983 -9.930 -5.906 68 HA SER 12 HA SER 12 -8.511 -8.048 -3.702 69 HB2 SER 12 1HB SER 12 -6.406 -10.225 -3.755 70 HB3 SER 12 2HB SER 12 -6.647 -9.056 -2.456 71 HG SER 12 HG SER 12 -8.878 -9.966 -2.411 72 H HIS 13 H HIS 13 -6.343 -6.945 -3.045 73 HA HIS 13 HA HIS 13 -4.909 -6.179 -5.503 74 HB2 HIS 13 1HB HIS 13 -5.993 -4.464 -3.283 75 HB3 HIS 13 2HB HIS 13 -4.661 -3.907 -4.291 76 HD1 HIS 13 HD1 HIS 13 -5.463 -4.548 -7.057 77 HD2 HIS 13 HD2 HIS 13 -8.233 -3.301 -4.223 78 HE1 HIS 13 HE1 HIS 13 -7.402 -3.631 -8.370 79 H GLN 14 H GLN 14 -2.708 -5.697 -5.316 80 HA GLN 14 HA GLN 14 -1.438 -6.137 -2.721 81 HB2 GLN 14 1HB GLN 14 -1.540 -8.325 -3.947 82 HB3 GLN 14 2HB GLN 14 -0.548 -7.604 -5.207 83 HG2 GLN 14 1HG GLN 14 1.184 -7.152 -3.456 84 HG3 GLN 14 2HG GLN 14 0.211 -8.114 -2.345 85 HE21 GLN 14 1HE2 GLN 14 0.776 -10.152 -2.183 86 HE22 GLN 14 2HE2 GLN 14 1.578 -11.091 -3.390 87 H CYS 15 H CYS 15 0.620 -5.214 -2.512 88 HA CYS 15 HA CYS 15 1.187 -3.148 -4.510 89 HB2 CYS 15 1HB CYS 15 1.049 -2.112 -2.434 90 HB3 CYS 15 2HB CYS 15 1.804 -3.464 -1.596 91 H ARG 16 H ARG 16 3.432 -2.691 -5.069 92 HA ARG 16 HA ARG 16 4.979 -5.177 -5.295 93 HB2 ARG 16 1HB ARG 16 4.221 -3.781 -7.341 94 HB3 ARG 16 2HB ARG 16 5.507 -2.676 -6.875 95 HG2 ARG 16 1HG ARG 16 7.101 -4.590 -7.010 96 HG3 ARG 16 2HG ARG 16 5.784 -5.564 -7.667 97 HD2 ARG 16 1HD ARG 16 6.402 -2.938 -8.930 98 HD3 ARG 16 2HD ARG 16 7.471 -4.304 -9.247 99 HE ARG 16 HE ARG 16 4.783 -3.938 -10.213 100 HH11 ARG 16 1HH1 ARG 16 7.307 -6.234 -9.525 101 HH12 ARG 16 2HH1 ARG 16 6.706 -7.424 -10.632 102 HH21 ARG 16 1HH2 ARG 16 3.982 -5.496 -11.674 103 HH22 ARG 16 2HH2 ARG 16 4.815 -7.002 -11.855 104 H GLU 17 H GLU 17 5.212 -1.786 -4.360 105 HA GLU 17 HA GLU 17 7.930 -1.558 -3.918 106 HB2 GLU 17 1HB GLU 17 5.679 -0.357 -2.295 107 HB3 GLU 17 2HB GLU 17 7.354 0.175 -2.246 108 HG2 GLU 17 1HG GLU 17 5.784 0.151 -4.797 109 HG3 GLU 17 2HG GLU 17 5.722 1.509 -3.675 110 H CYS 18 H CYS 18 5.659 -1.971 -1.212 111 HA CYS 18 HA CYS 18 7.739 -3.326 0.303 112 HB2 CYS 18 1HB CYS 18 6.220 -3.110 2.204 113 HB3 CYS 18 2HB CYS 18 6.406 -1.562 1.387 114 H GLY 19 H GLY 19 4.438 -3.968 -0.846 115 HA2 GLY 19 1HA GLY 19 3.803 -6.097 -1.720 116 HA3 GLY 19 2HA GLY 19 5.055 -6.839 -0.734 117 H GLU 20 H GLU 20 2.361 -4.628 0.013 118 HA GLU 20 HA GLU 20 1.492 -6.565 2.057 119 HB2 GLU 20 1HB GLU 20 2.361 -4.131 2.639 120 HB3 GLU 20 2HB GLU 20 0.714 -3.689 2.213 121 HG2 GLU 20 1HG GLU 20 -0.202 -4.899 3.966 122 HG3 GLU 20 2HG GLU 20 1.243 -5.888 4.167 123 H ILE 21 H ILE 21 -0.540 -7.315 1.981 124 HA ILE 21 HA ILE 21 -2.232 -6.421 -0.223 125 HB ILE 21 HB ILE 21 -2.548 -8.793 1.621 126 HG12 ILE 21 1HG1 ILE 21 -1.759 -8.805 -1.291 127 HG13 ILE 21 2HG1 ILE 21 -0.572 -8.764 0.007 128 HG21 ILE 21 1HG2 ILE 21 -4.005 -8.222 -0.952 129 HG22 ILE 21 2HG2 ILE 21 -4.302 -9.535 0.186 130 HG23 ILE 21 3HG2 ILE 21 -4.662 -7.871 0.646 131 HD11 ILE 21 3HD1 ILE 21 -2.671 -10.896 -0.151 132 HD12 ILE 21 1HD1 ILE 21 -1.134 -11.024 -1.005 133 HD13 ILE 21 2HD1 ILE 21 -1.158 -10.900 0.754 134 H PHE 22 H PHE 22 -4.263 -5.581 0.017 135 HA PHE 22 HA PHE 22 -5.248 -5.156 2.752 136 HB2 PHE 22 1HB PHE 22 -5.266 -3.030 0.603 137 HB3 PHE 22 2HB PHE 22 -5.802 -2.853 2.271 138 HD1 PHE 22 HD2 PHE 22 -4.084 -3.054 4.112 139 HD2 PHE 22 HD1 PHE 22 -3.041 -2.653 0.005 140 HE1 PHE 22 HE2 PHE 22 -1.825 -2.326 4.760 141 HE2 PHE 22 HE1 PHE 22 -0.780 -1.926 0.646 142 HZ PHE 22 HZ PHE 22 -0.169 -1.761 3.026 143 H PHE 23 H PHE 23 -7.504 -4.942 2.959 144 HA PHE 23 HA PHE 23 -8.998 -5.978 0.647 145 HB2 PHE 23 1HB PHE 23 -9.310 -6.319 3.605 146 HB3 PHE 23 2HB PHE 23 -10.722 -6.478 2.565 147 HD1 PHE 23 HD2 PHE 23 -10.924 -8.320 1.010 148 HD2 PHE 23 HD1 PHE 23 -7.519 -7.935 3.536 149 HE1 PHE 23 HE2 PHE 23 -10.300 -10.648 0.519 150 HE2 PHE 23 HE1 PHE 23 -6.890 -10.263 3.048 151 HZ PHE 23 HZ PHE 23 -8.282 -11.623 1.539 152 H GLN 24 H GLN 24 -8.404 -3.231 0.798 153 HA GLN 24 HA GLN 24 -11.073 -2.156 0.665 154 HB2 GLN 24 1HB GLN 24 -9.172 -1.385 2.843 155 HB3 GLN 24 2HB GLN 24 -10.250 -0.168 2.173 156 HG2 GLN 24 1HG GLN 24 -11.017 -2.737 3.533 157 HG3 GLN 24 2HG GLN 24 -11.267 -1.093 4.118 158 HE21 GLN 24 1HE2 GLN 24 -13.308 -2.979 3.888 159 HE22 GLN 24 2HE2 GLN 24 -14.420 -2.444 2.678 160 H TYR 25 H TYR 25 -11.183 -0.750 -0.962 161 HA TYR 25 HA TYR 25 -9.048 -0.199 -2.646 162 HB2 TYR 25 1HB TYR 25 -11.311 0.002 -3.443 163 HB3 TYR 25 2HB TYR 25 -11.660 1.278 -2.281 164 HD1 TYR 25 HD1 TYR 25 -8.966 0.679 -4.812 165 HD2 TYR 25 HD2 TYR 25 -11.926 3.328 -3.288 166 HE1 TYR 25 HE1 TYR 25 -8.304 2.366 -6.475 167 HE2 TYR 25 HE2 TYR 25 -11.274 5.021 -4.948 168 HH TYR 25 HH TYR 25 -9.826 4.563 -7.573 169 H VAL 26 H VAL 26 -10.478 1.844 -0.119 170 HA VAL 26 HA VAL 26 -8.920 4.122 -0.504 171 HB VAL 26 HB VAL 26 -10.029 3.048 2.093 172 HG11 VAL 26 1HG1 VAL 26 -9.407 4.939 3.145 173 HG12 VAL 26 2HG1 VAL 26 -8.187 5.018 1.872 174 HG13 VAL 26 3HG1 VAL 26 -9.681 5.944 1.723 175 HG21 VAL 26 3HG2 VAL 26 -11.765 3.361 0.433 176 HG22 VAL 26 1HG2 VAL 26 -11.879 4.621 1.661 177 HG23 VAL 26 2HG2 VAL 26 -11.177 4.987 0.086 178 H SER 27 H SER 27 -8.265 1.189 1.344 179 HA SER 27 HA SER 27 -5.981 2.018 2.708 180 HB2 SER 27 1HB SER 27 -6.746 -0.712 1.654 181 HB3 SER 27 2HB SER 27 -5.376 -0.428 2.728 182 HG SER 27 HG SER 27 -7.399 -1.037 3.774 183 H LEU 28 H LEU 28 -6.248 0.443 -0.470 184 HA LEU 28 HA LEU 28 -3.458 0.512 -1.002 185 HB2 LEU 28 1HB LEU 28 -5.050 -1.049 -2.073 186 HB3 LEU 28 2HB LEU 28 -5.748 0.310 -2.951 187 HG LEU 28 HG LEU 28 -3.396 0.639 -3.923 188 HD11 LEU 28 1HD1 LEU 28 -2.521 -1.960 -3.984 189 HD12 LEU 28 2HD1 LEU 28 -3.023 -1.756 -2.307 190 HD13 LEU 28 3HD1 LEU 28 -1.831 -0.662 -3.010 191 HD21 LEU 28 3HD2 LEU 28 -5.495 -0.379 -5.007 192 HD22 LEU 28 1HD2 LEU 28 -4.694 -1.930 -4.759 193 HD23 LEU 28 2HD2 LEU 28 -3.930 -0.693 -5.757 194 H ILE 29 H ILE 29 -6.050 2.254 -2.723 195 HA ILE 29 HA ILE 29 -4.675 4.041 -4.166 196 HB ILE 29 HB ILE 29 -7.176 3.942 -3.937 197 HG12 ILE 29 1HG1 ILE 29 -6.112 6.760 -3.745 198 HG13 ILE 29 2HG1 ILE 29 -5.851 5.743 -5.158 199 HG21 ILE 29 1HG2 ILE 29 -7.150 4.172 -1.444 200 HG22 ILE 29 2HG2 ILE 29 -6.764 5.878 -1.668 201 HG23 ILE 29 3HG2 ILE 29 -8.290 5.233 -2.271 202 HD11 ILE 29 3HD1 ILE 29 -8.071 7.373 -4.547 203 HD12 ILE 29 1HD1 ILE 29 -7.818 6.344 -5.957 204 HD13 ILE 29 2HD1 ILE 29 -8.617 5.696 -4.523 205 H GLU 30 H GLU 30 -5.400 4.455 -0.709 206 HA GLU 30 HA GLU 30 -3.922 6.902 -0.514 207 HB2 GLU 30 1HB GLU 30 -5.804 6.451 0.979 208 HB3 GLU 30 2HB GLU 30 -4.967 5.052 1.637 209 HG2 GLU 30 1HG GLU 30 -4.656 6.722 3.227 210 HG3 GLU 30 2HG GLU 30 -3.137 6.677 2.334 211 H HIS 31 H HIS 31 -3.268 3.508 0.075 212 HA HIS 31 HA HIS 31 -0.901 3.739 1.543 213 HB2 HIS 31 1HB HIS 31 -1.875 1.590 1.414 214 HB3 HIS 31 2HB HIS 31 -1.922 1.626 -0.346 215 HD1 HIS 31 HD1 HIS 31 0.741 1.649 2.377 216 HD2 HIS 31 HD2 HIS 31 0.087 0.213 -1.466 217 HE1 HIS 31 HE1 HIS 31 2.781 0.292 1.811 218 H GLN 32 H GLN 32 -1.505 3.950 -1.909 219 HA GLN 32 HA GLN 32 1.065 3.705 -2.907 220 HB2 GLN 32 1HB GLN 32 -1.230 5.431 -3.832 221 HB3 GLN 32 2HB GLN 32 0.260 5.246 -4.746 222 HG2 GLN 32 1HG GLN 32 -0.161 3.015 -5.226 223 HG3 GLN 32 2HG GLN 32 -1.325 2.853 -3.912 224 HE21 GLN 32 1HE2 GLN 32 -1.636 2.170 -6.707 225 HE22 GLN 32 2HE2 GLN 32 -2.971 3.096 -7.293 226 H VAL 33 H VAL 33 -0.428 6.378 -1.230 227 HA VAL 33 HA VAL 33 1.378 8.415 -1.910 228 HB VAL 33 HB VAL 33 -0.166 8.059 0.663 229 HG11 VAL 33 1HG1 VAL 33 1.870 9.753 0.385 230 HG12 VAL 33 2HG1 VAL 33 0.603 10.734 -0.353 231 HG13 VAL 33 3HG1 VAL 33 0.421 10.157 1.304 232 HG21 VAL 33 3HG2 VAL 33 -1.692 9.747 -0.459 233 HG22 VAL 33 1HG2 VAL 33 -0.837 9.376 -1.957 234 HG23 VAL 33 2HG2 VAL 33 -1.725 8.108 -1.110 235 H LEU 34 H LEU 34 1.481 5.938 0.597 236 HA LEU 34 HA LEU 34 3.685 6.923 2.033 237 HB2 LEU 34 1HB LEU 34 2.598 4.145 1.656 238 HB3 LEU 34 2HB LEU 34 3.965 4.495 2.712 239 HG LEU 34 HG LEU 34 1.217 5.695 3.042 240 HD11 LEU 34 1HD1 LEU 34 0.733 4.087 4.666 241 HD12 LEU 34 2HD1 LEU 34 2.403 3.526 4.741 242 HD13 LEU 34 3HD1 LEU 34 1.414 3.163 3.327 243 HD21 LEU 34 3HD2 LEU 34 2.736 5.626 5.427 244 HD22 LEU 34 1HD2 LEU 34 2.198 7.035 4.512 245 HD23 LEU 34 2HD2 LEU 34 3.765 6.303 4.163 246 H HIS 35 H HIS 35 3.481 5.511 -1.064 247 HA HIS 35 HA HIS 35 6.363 4.925 -1.080 248 HB2 HIS 35 1HB HIS 35 4.128 3.992 -2.884 249 HB3 HIS 35 2HB HIS 35 5.831 3.718 -3.238 250 HD1 HIS 35 HD1 HIS 35 6.997 2.682 -0.742 251 HD2 HIS 35 HD2 HIS 35 3.135 1.688 -1.905 252 HE1 HIS 35 HE1 HIS 35 6.463 0.541 0.463 253 H MET 36 H MET 36 5.423 7.606 -1.168 254 HA MET 36 HA MET 36 6.097 8.356 -3.937 255 HB2 MET 36 1HB MET 36 4.386 9.768 -1.891 256 HB3 MET 36 2HB MET 36 4.953 10.542 -3.365 257 HG2 MET 36 1HG MET 36 3.524 7.953 -3.603 258 HG3 MET 36 2HG MET 36 2.589 9.393 -3.212 259 HE1 MET 36 3HE MET 36 1.698 10.894 -4.705 260 HE2 MET 36 1HE MET 36 3.181 11.815 -4.961 261 HE3 MET 36 2HE MET 36 2.224 11.283 -6.344 262 H GLY 37 H GLY 37 7.611 9.983 -4.286 263 HA2 GLY 37 1HA GLY 37 9.181 10.747 -1.900 264 HA3 GLY 37 2HA GLY 37 9.918 10.348 -3.445 265 H GLN 38 H GLN 38 10.967 12.357 -3.546 266 HA GLN 38 HA GLN 38 9.430 14.795 -3.490 267 HB2 GLN 38 1HB GLN 38 11.957 14.350 -2.849 268 HB3 GLN 38 2HB GLN 38 12.217 14.693 -4.554 269 HG2 GLN 38 1HG GLN 38 11.160 16.864 -4.300 270 HG3 GLN 38 2HG GLN 38 10.838 16.521 -2.601 271 HE21 GLN 38 1HE2 GLN 38 12.260 18.749 -3.462 272 HE22 GLN 38 2HE2 GLN 38 13.895 18.607 -2.925 273 H LYS 39 H LYS 39 8.660 15.933 -5.177 274 HA LYS 39 HA LYS 39 8.381 14.678 -7.701 275 HB2 LYS 39 1HB LYS 39 7.842 17.538 -6.879 276 HB3 LYS 39 2HB LYS 39 7.319 16.809 -8.392 277 HG2 LYS 39 1HG LYS 39 6.525 15.644 -5.749 278 HG3 LYS 39 2HG LYS 39 5.629 16.979 -6.479 279 HD2 LYS 39 1HD LYS 39 6.215 14.434 -7.969 280 HD3 LYS 39 2HD LYS 39 4.785 14.621 -6.951 281 HE2 LYS 39 1HE LYS 39 5.447 16.607 -9.100 282 HE3 LYS 39 2HE LYS 39 4.572 15.122 -9.465 283 HZ1 LYS 39 3HZ LYS 39 3.723 17.176 -7.495 284 HZ2 LYS 39 1HZ LYS 39 2.877 15.761 -7.877 285 HZ3 LYS 39 2HZ LYS 39 3.070 16.972 -9.042 286 H ASN 40 H ASN 40 9.891 14.512 -9.212 287 HA ASN 40 HA ASN 40 11.614 16.821 -9.755 288 HB2 ASN 40 1HB ASN 40 12.514 13.996 -9.220 289 HB3 ASN 40 2HB ASN 40 13.496 15.113 -10.163 290 HD21 ASN 40 1HD2 ASN 40 14.460 14.033 -7.857 291 HD22 ASN 40 2HD2 ASN 40 14.582 15.254 -6.642 292 H SER 41 H SER 41 12.320 17.007 -11.897 293 HA SER 41 HA SER 41 10.562 16.251 -13.887 294 HB2 SER 41 1HB SER 41 13.502 16.928 -14.151 295 HB3 SER 41 2HB SER 41 12.353 16.884 -15.489 296 HG SER 41 HG SER 41 11.166 18.526 -14.379 297 H GLY 42 H GLY 42 10.133 14.382 -14.849 298 HA2 GLY 42 1HA GLY 42 12.288 12.387 -15.084 299 HA3 GLY 42 2HA GLY 42 10.725 11.920 -14.431 300 HA PRO 43 HA PRO 43 10.599 11.022 -18.945 301 HB2 PRO 43 1HB PRO 43 9.234 8.692 -18.663 302 HB3 PRO 43 2HB PRO 43 10.994 8.796 -18.538 303 HG2 PRO 43 1HG PRO 43 8.942 8.696 -16.360 304 HG3 PRO 43 2HG PRO 43 10.495 7.847 -16.474 305 HD2 PRO 43 1HD PRO 43 10.162 10.081 -14.980 306 HD3 PRO 43 2HD PRO 43 11.696 9.690 -15.784 307 H SER 44 H SER 44 9.164 12.722 -19.358 308 HA SER 44 HA SER 44 6.554 12.960 -18.408 309 HB2 SER 44 1HB SER 44 7.874 14.724 -19.636 310 HB3 SER 44 2HB SER 44 7.507 13.865 -21.132 311 HG SER 44 HG SER 44 5.287 14.188 -20.677 312 H SER 45 H SER 45 5.524 10.956 -18.448 313 HA SER 45 HA SER 45 4.861 9.914 -21.122 314 HB2 SER 45 1HB SER 45 5.279 8.585 -18.478 315 HB3 SER 45 2HB SER 45 4.142 7.859 -19.614 316 HG SER 45 HG SER 45 6.819 7.777 -19.634 317 H GLY 46 H GLY 46 2.705 9.290 -21.561 318 HA2 GLY 46 1HA GLY 46 0.585 9.643 -19.699 319 HA3 GLY 46 2HA GLY 46 0.726 11.048 -20.744 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -4.571 -33.163 -12.223 2 HA2 GLY 1 1HA GLY 1 -2.886 -31.645 -12.621 3 HA3 GLY 1 2HA GLY 1 -3.247 -31.979 -14.309 4 H SER 2 H SER 2 -5.132 -30.296 -11.809 5 HA SER 2 HA SER 2 -4.684 -27.721 -12.997 6 HB2 SER 2 1HB SER 2 -6.352 -28.724 -14.557 7 HB3 SER 2 2HB SER 2 -7.466 -28.900 -13.201 8 HG SER 2 HG SER 2 -6.495 -26.533 -14.395 9 H SER 3 H SER 3 -5.717 -25.996 -11.811 10 HA SER 3 HA SER 3 -6.616 -26.822 -9.128 11 HB2 SER 3 1HB SER 3 -4.739 -24.603 -9.935 12 HB3 SER 3 2HB SER 3 -5.557 -24.611 -8.373 13 HG SER 3 HG SER 3 -4.572 -26.632 -7.957 14 H GLY 4 H GLY 4 -8.174 -25.513 -8.101 15 HA2 GLY 4 1HA GLY 4 -9.602 -23.569 -8.069 16 HA3 GLY 4 2HA GLY 4 -9.478 -23.506 -9.821 17 H SER 5 H SER 5 -11.406 -24.403 -7.257 18 HA SER 5 HA SER 5 -12.884 -26.389 -8.837 19 HB2 SER 5 1HB SER 5 -12.860 -25.744 -5.890 20 HB3 SER 5 2HB SER 5 -14.106 -26.757 -6.619 21 HG SER 5 HG SER 5 -12.033 -27.851 -7.519 22 H SER 6 H SER 6 -13.654 -23.731 -6.583 23 HA SER 6 HA SER 6 -15.470 -22.541 -8.474 24 HB2 SER 6 1HB SER 6 -16.910 -24.302 -7.588 25 HB3 SER 6 2HB SER 6 -16.557 -23.790 -5.939 26 HG SER 6 HG SER 6 -17.955 -22.228 -6.133 27 H GLY 7 H GLY 7 -16.211 -20.463 -7.824 28 HA2 GLY 7 1HA GLY 7 -16.117 -18.463 -6.688 29 HA3 GLY 7 2HA GLY 7 -15.595 -19.359 -5.270 30 H SER 8 H SER 8 -14.714 -16.881 -7.055 31 HA SER 8 HA SER 8 -11.849 -17.554 -7.072 32 HB2 SER 8 1HB SER 8 -13.397 -15.459 -8.607 33 HB3 SER 8 2HB SER 8 -11.636 -15.551 -8.588 34 HG SER 8 HG SER 8 -12.100 -16.769 -10.289 35 H ARG 9 H ARG 9 -11.733 -17.187 -4.774 36 HA ARG 9 HA ARG 9 -12.176 -14.469 -3.835 37 HB2 ARG 9 1HB ARG 9 -11.113 -16.861 -2.322 38 HB3 ARG 9 2HB ARG 9 -11.663 -15.341 -1.628 39 HG2 ARG 9 1HG ARG 9 -13.917 -15.896 -2.738 40 HG3 ARG 9 2HG ARG 9 -13.273 -17.534 -2.871 41 HD2 ARG 9 1HD ARG 9 -13.241 -17.850 -0.591 42 HD3 ARG 9 2HD ARG 9 -13.129 -16.124 -0.248 43 HE ARG 9 HE ARG 9 -15.534 -17.666 -0.665 44 HH11 ARG 9 1HH1 ARG 9 -14.094 -14.497 -0.612 45 HH12 ARG 9 2HH1 ARG 9 -15.596 -13.677 -0.337 46 HH21 ARG 9 1HH2 ARG 9 -17.517 -16.598 -0.303 47 HH22 ARG 9 2HH2 ARG 9 -17.541 -14.873 -0.161 48 H GLU 10 H GLU 10 -10.202 -14.659 -5.804 49 HA GLU 10 HA GLU 10 -7.682 -14.381 -4.323 50 HB2 GLU 10 1HB GLU 10 -8.280 -14.820 -7.245 51 HB3 GLU 10 2HB GLU 10 -6.681 -14.371 -6.668 52 HG2 GLU 10 1HG GLU 10 -8.159 -16.791 -5.680 53 HG3 GLU 10 2HG GLU 10 -7.065 -16.822 -7.061 54 H LYS 11 H LYS 11 -9.823 -12.707 -6.572 55 HA LYS 11 HA LYS 11 -8.503 -10.484 -7.296 56 HB2 LYS 11 1HB LYS 11 -10.813 -10.762 -7.888 57 HB3 LYS 11 2HB LYS 11 -11.314 -10.655 -6.206 58 HG2 LYS 11 1HG LYS 11 -11.837 -8.556 -6.910 59 HG3 LYS 11 2HG LYS 11 -10.179 -8.286 -6.368 60 HD2 LYS 11 1HD LYS 11 -9.355 -8.420 -8.612 61 HD3 LYS 11 2HD LYS 11 -10.930 -8.941 -9.214 62 HE2 LYS 11 1HE LYS 11 -10.859 -6.683 -9.770 63 HE3 LYS 11 2HE LYS 11 -11.789 -6.705 -8.272 64 HZ1 LYS 11 3HZ LYS 11 -9.877 -5.011 -8.568 65 HZ2 LYS 11 1HZ LYS 11 -8.876 -6.315 -8.169 66 HZ3 LYS 11 2HZ LYS 11 -10.064 -5.797 -7.082 67 H SER 12 H SER 12 -7.078 -9.334 -6.164 68 HA SER 12 HA SER 12 -7.958 -8.083 -3.677 69 HB2 SER 12 1HB SER 12 -5.296 -9.507 -3.885 70 HB3 SER 12 2HB SER 12 -5.948 -8.683 -2.469 71 HG SER 12 HG SER 12 -7.707 -10.254 -2.593 72 H HIS 13 H HIS 13 -6.267 -6.430 -2.944 73 HA HIS 13 HA HIS 13 -5.162 -5.095 -5.328 74 HB2 HIS 13 1HB HIS 13 -6.505 -3.986 -2.877 75 HB3 HIS 13 2HB HIS 13 -5.426 -2.987 -3.846 76 HD1 HIS 13 HD1 HIS 13 -6.229 -3.620 -6.657 77 HD2 HIS 13 HD2 HIS 13 -8.998 -3.228 -3.585 78 HE1 HIS 13 HE1 HIS 13 -8.409 -3.070 -7.783 79 H GLN 14 H GLN 14 -3.561 -6.934 -4.170 80 HA GLN 14 HA GLN 14 -1.945 -6.013 -2.055 81 HB2 GLN 14 1HB GLN 14 -2.084 -8.377 -2.896 82 HB3 GLN 14 2HB GLN 14 -1.112 -7.883 -4.276 83 HG2 GLN 14 1HG GLN 14 0.613 -7.105 -2.577 84 HG3 GLN 14 2HG GLN 14 -0.319 -8.014 -1.389 85 HE21 GLN 14 1HE2 GLN 14 -0.878 -10.306 -2.213 86 HE22 GLN 14 2HE2 GLN 14 0.446 -11.186 -2.888 87 H CYS 15 H CYS 15 0.035 -4.975 -2.023 88 HA CYS 15 HA CYS 15 0.565 -3.288 -4.341 89 HB2 CYS 15 1HB CYS 15 0.481 -2.041 -2.339 90 HB3 CYS 15 2HB CYS 15 1.455 -3.219 -1.465 91 H ARG 16 H ARG 16 2.699 -3.016 -5.192 92 HA ARG 16 HA ARG 16 4.332 -5.452 -4.940 93 HB2 ARG 16 1HB ARG 16 3.782 -3.603 -7.236 94 HB3 ARG 16 2HB ARG 16 5.258 -4.559 -7.211 95 HG2 ARG 16 1HG ARG 16 4.040 -6.596 -7.219 96 HG3 ARG 16 2HG ARG 16 2.515 -5.756 -6.929 97 HD2 ARG 16 1HD ARG 16 4.230 -5.526 -9.400 98 HD3 ARG 16 2HD ARG 16 2.725 -6.434 -9.265 99 HE ARG 16 HE ARG 16 3.012 -3.598 -9.606 100 HH11 ARG 16 1HH1 ARG 16 0.948 -6.136 -8.416 101 HH12 ARG 16 2HH1 ARG 16 -0.505 -5.206 -8.574 102 HH21 ARG 16 1HH2 ARG 16 1.106 -2.363 -9.819 103 HH22 ARG 16 2HH2 ARG 16 -0.415 -3.061 -9.373 104 H GLU 17 H GLU 17 4.334 -1.981 -4.755 105 HA GLU 17 HA GLU 17 7.030 -1.388 -4.942 106 HB2 GLU 17 1HB GLU 17 4.826 -0.171 -3.292 107 HB3 GLU 17 2HB GLU 17 6.461 0.475 -3.265 108 HG2 GLU 17 1HG GLU 17 6.346 1.243 -5.421 109 HG3 GLU 17 2HG GLU 17 5.111 0.074 -5.887 110 H CYS 18 H CYS 18 5.221 -2.735 -2.246 111 HA CYS 18 HA CYS 18 7.775 -3.250 -0.880 112 HB2 CYS 18 1HB CYS 18 6.561 -2.919 1.295 113 HB3 CYS 18 2HB CYS 18 6.775 -1.450 0.348 114 H GLY 19 H GLY 19 4.354 -4.145 -1.183 115 HA2 GLY 19 1HA GLY 19 3.815 -6.463 -1.684 116 HA3 GLY 19 2HA GLY 19 5.152 -6.936 -0.645 117 H GLU 20 H GLU 20 1.935 -5.475 -0.658 118 HA GLU 20 HA GLU 20 1.406 -6.739 1.916 119 HB2 GLU 20 1HB GLU 20 2.195 -4.231 2.094 120 HB3 GLU 20 2HB GLU 20 0.541 -3.895 1.600 121 HG2 GLU 20 1HG GLU 20 -0.357 -4.735 3.541 122 HG3 GLU 20 2HG GLU 20 1.037 -5.764 3.866 123 H ILE 21 H ILE 21 -0.711 -7.324 2.214 124 HA ILE 21 HA ILE 21 -2.411 -7.128 -0.147 125 HB ILE 21 HB ILE 21 -2.820 -8.740 2.374 126 HG12 ILE 21 1HG1 ILE 21 -1.887 -9.687 -0.341 127 HG13 ILE 21 2HG1 ILE 21 -0.801 -9.354 1.004 128 HG21 ILE 21 1HG2 ILE 21 -4.195 -8.970 -0.298 129 HG22 ILE 21 2HG2 ILE 21 -4.530 -9.914 1.152 130 HG23 ILE 21 3HG2 ILE 21 -4.885 -8.187 1.123 131 HD11 ILE 21 3HD1 ILE 21 -2.162 -11.049 2.315 132 HD12 ILE 21 1HD1 ILE 21 -2.868 -11.510 0.766 133 HD13 ILE 21 2HD1 ILE 21 -1.130 -11.667 1.025 134 H PHE 22 H PHE 22 -4.326 -6.074 -0.229 135 HA PHE 22 HA PHE 22 -5.226 -4.708 2.221 136 HB2 PHE 22 1HB PHE 22 -5.341 -3.597 -0.590 137 HB3 PHE 22 2HB PHE 22 -5.863 -2.778 0.878 138 HD1 PHE 22 HD1 PHE 22 -2.891 -4.178 -0.835 139 HD2 PHE 22 HD2 PHE 22 -4.361 -1.515 2.142 140 HE1 PHE 22 HE1 PHE 22 -0.632 -3.242 -0.563 141 HE2 PHE 22 HE2 PHE 22 -2.105 -0.573 2.418 142 HZ PHE 22 HZ PHE 22 -0.237 -1.436 1.065 143 H PHE 23 H PHE 23 -7.552 -3.937 2.004 144 HA PHE 23 HA PHE 23 -9.136 -6.010 0.633 145 HB2 PHE 23 1HB PHE 23 -10.110 -4.564 3.078 146 HB3 PHE 23 2HB PHE 23 -10.618 -6.124 2.439 147 HD1 PHE 23 HD2 PHE 23 -9.175 -8.108 2.736 148 HD2 PHE 23 HD1 PHE 23 -8.286 -4.375 4.579 149 HE1 PHE 23 HE2 PHE 23 -7.641 -9.243 4.288 150 HE2 PHE 23 HE1 PHE 23 -6.750 -5.505 6.133 151 HZ PHE 23 HZ PHE 23 -6.426 -7.942 5.990 152 H GLN 24 H GLN 24 -9.512 -2.751 2.038 153 HA GLN 24 HA GLN 24 -11.588 -2.119 0.121 154 HB2 GLN 24 1HB GLN 24 -11.471 -1.389 2.605 155 HB3 GLN 24 2HB GLN 24 -10.356 -0.156 2.032 156 HG2 GLN 24 1HG GLN 24 -12.524 0.809 2.149 157 HG3 GLN 24 2HG GLN 24 -12.112 0.606 0.447 158 HE21 GLN 24 1HE2 GLN 24 -13.929 -0.799 3.113 159 HE22 GLN 24 2HE2 GLN 24 -15.125 -1.570 2.133 160 H TYR 25 H TYR 25 -11.464 -0.620 -1.519 161 HA TYR 25 HA TYR 25 -8.995 -0.341 -2.836 162 HB2 TYR 25 1HB TYR 25 -10.955 -0.284 -4.171 163 HB3 TYR 25 2HB TYR 25 -11.666 1.007 -3.209 164 HD1 TYR 25 HD1 TYR 25 -8.219 0.814 -4.590 165 HD2 TYR 25 HD2 TYR 25 -12.028 2.701 -4.784 166 HE1 TYR 25 HE1 TYR 25 -7.309 2.477 -6.157 167 HE2 TYR 25 HE2 TYR 25 -11.128 4.368 -6.352 168 HH TYR 25 HH TYR 25 -7.813 4.775 -6.900 169 H VAL 26 H VAL 26 -10.682 1.693 -0.556 170 HA VAL 26 HA VAL 26 -9.187 4.065 -1.020 171 HB VAL 26 HB VAL 26 -10.557 3.295 1.555 172 HG11 VAL 26 1HG1 VAL 26 -10.057 6.000 0.320 173 HG12 VAL 26 2HG1 VAL 26 -10.767 5.671 1.902 174 HG13 VAL 26 3HG1 VAL 26 -9.075 5.279 1.595 175 HG21 VAL 26 3HG2 VAL 26 -11.930 4.918 -0.527 176 HG22 VAL 26 1HG2 VAL 26 -11.878 3.166 -0.725 177 HG23 VAL 26 2HG2 VAL 26 -12.608 3.869 0.718 178 H SER 27 H SER 27 -8.480 1.131 0.578 179 HA SER 27 HA SER 27 -6.499 2.237 2.366 180 HB2 SER 27 1HB SER 27 -7.114 -0.637 1.637 181 HB3 SER 27 2HB SER 27 -6.019 -0.124 2.920 182 HG SER 27 HG SER 27 -7.811 -0.283 4.048 183 H LEU 28 H LEU 28 -6.614 0.852 -0.822 184 HA LEU 28 HA LEU 28 -3.786 0.381 -1.014 185 HB2 LEU 28 1HB LEU 28 -5.180 -0.993 -2.342 186 HB3 LEU 28 2HB LEU 28 -6.030 0.397 -3.014 187 HG LEU 28 HG LEU 28 -3.863 1.019 -4.153 188 HD11 LEU 28 1HD1 LEU 28 -2.517 -0.493 -2.601 189 HD12 LEU 28 2HD1 LEU 28 -2.106 -0.518 -4.315 190 HD13 LEU 28 3HD1 LEU 28 -3.065 -1.824 -3.620 191 HD21 LEU 28 3HD2 LEU 28 -4.163 -1.257 -5.631 192 HD22 LEU 28 1HD2 LEU 28 -5.170 0.184 -5.768 193 HD23 LEU 28 2HD2 LEU 28 -5.702 -1.171 -4.773 194 H ILE 29 H ILE 29 -6.017 2.744 -2.476 195 HA ILE 29 HA ILE 29 -4.112 4.274 -3.813 196 HB ILE 29 HB ILE 29 -6.658 4.430 -3.970 197 HG12 ILE 29 1HG1 ILE 29 -5.221 7.078 -3.760 198 HG13 ILE 29 2HG1 ILE 29 -4.950 5.945 -5.079 199 HG21 ILE 29 1HG2 ILE 29 -6.902 4.838 -1.491 200 HG22 ILE 29 2HG2 ILE 29 -6.321 6.475 -1.790 201 HG23 ILE 29 3HG2 ILE 29 -7.817 5.919 -2.541 202 HD11 ILE 29 3HD1 ILE 29 -6.821 7.952 -5.016 203 HD12 ILE 29 1HD1 ILE 29 -6.798 6.585 -6.129 204 HD13 ILE 29 2HD1 ILE 29 -7.764 6.507 -4.655 205 H GLU 30 H GLU 30 -5.244 4.444 -0.476 206 HA GLU 30 HA GLU 30 -3.862 6.843 0.175 207 HB2 GLU 30 1HB GLU 30 -4.695 6.576 2.296 208 HB3 GLU 30 2HB GLU 30 -5.825 5.572 1.398 209 HG2 GLU 30 1HG GLU 30 -5.289 4.244 3.202 210 HG3 GLU 30 2HG GLU 30 -4.202 3.646 1.950 211 H HIS 31 H HIS 31 -3.080 3.413 0.424 212 HA HIS 31 HA HIS 31 -0.702 3.697 1.915 213 HB2 HIS 31 1HB HIS 31 -1.574 1.524 1.861 214 HB3 HIS 31 2HB HIS 31 -1.789 1.552 0.113 215 HD1 HIS 31 HD1 HIS 31 0.639 0.687 2.755 216 HD2 HIS 31 HD2 HIS 31 0.615 1.128 -1.377 217 HE1 HIS 31 HE1 HIS 31 2.763 -0.392 1.952 218 H GLN 32 H GLN 32 -1.326 3.600 -1.569 219 HA GLN 32 HA GLN 32 1.143 3.443 -2.657 220 HB2 GLN 32 1HB GLN 32 -1.134 5.265 -3.418 221 HB3 GLN 32 2HB GLN 32 0.319 5.114 -4.396 222 HG2 GLN 32 1HG GLN 32 -0.112 2.711 -4.639 223 HG3 GLN 32 2HG GLN 32 -1.592 2.896 -3.699 224 HE21 GLN 32 1HE2 GLN 32 -2.816 2.128 -5.442 225 HE22 GLN 32 2HE2 GLN 32 -3.150 3.115 -6.819 226 H VAL 33 H VAL 33 -0.245 6.288 -1.093 227 HA VAL 33 HA VAL 33 1.664 8.189 -1.723 228 HB VAL 33 HB VAL 33 0.177 7.869 0.888 229 HG11 VAL 33 1HG1 VAL 33 2.229 9.365 0.901 230 HG12 VAL 33 2HG1 VAL 33 1.348 10.409 -0.215 231 HG13 VAL 33 3HG1 VAL 33 0.709 10.106 1.401 232 HG21 VAL 33 3HG2 VAL 33 -1.603 8.918 -0.045 233 HG22 VAL 33 1HG2 VAL 33 -0.602 9.890 -1.124 234 HG23 VAL 33 2HG2 VAL 33 -0.949 8.207 -1.521 235 H LEU 34 H LEU 34 1.708 5.764 0.855 236 HA LEU 34 HA LEU 34 3.830 6.484 2.373 237 HB2 LEU 34 1HB LEU 34 3.229 3.731 1.307 238 HB3 LEU 34 2HB LEU 34 4.338 4.067 2.635 239 HG LEU 34 HG LEU 34 1.439 4.851 2.749 240 HD11 LEU 34 1HD1 LEU 34 2.489 2.201 2.692 241 HD12 LEU 34 2HD1 LEU 34 0.824 2.732 2.927 242 HD13 LEU 34 3HD1 LEU 34 1.895 2.552 4.316 243 HD21 LEU 34 3HD2 LEU 34 3.367 4.199 4.965 244 HD22 LEU 34 1HD2 LEU 34 1.795 4.990 5.085 245 HD23 LEU 34 2HD2 LEU 34 3.148 5.829 4.325 246 H HIS 35 H HIS 35 3.957 5.153 -0.881 247 HA HIS 35 HA HIS 35 6.873 5.177 -0.858 248 HB2 HIS 35 1HB HIS 35 5.003 4.402 -3.105 249 HB3 HIS 35 2HB HIS 35 6.734 4.085 -3.017 250 HD1 HIS 35 HD1 HIS 35 7.195 2.727 -0.471 251 HD2 HIS 35 HD2 HIS 35 3.705 2.092 -2.634 252 HE1 HIS 35 HE1 HIS 35 6.305 0.513 0.323 253 H MET 36 H MET 36 5.552 7.690 -0.603 254 HA MET 36 HA MET 36 5.876 8.960 -3.215 255 HB2 MET 36 1HB MET 36 4.855 10.914 -2.212 256 HB3 MET 36 2HB MET 36 3.877 9.496 -1.859 257 HG2 MET 36 1HG MET 36 3.885 10.471 0.188 258 HG3 MET 36 2HG MET 36 5.324 9.465 0.338 259 HE1 MET 36 3HE MET 36 5.838 12.769 2.331 260 HE2 MET 36 1HE MET 36 4.374 13.137 1.418 261 HE3 MET 36 2HE MET 36 4.579 11.546 2.152 262 H GLY 37 H GLY 37 7.260 8.959 0.027 263 HA2 GLY 37 1HA GLY 37 9.845 9.545 -0.697 264 HA3 GLY 37 2HA GLY 37 9.079 11.111 -0.475 265 H GLN 38 H GLN 38 8.623 8.077 1.312 266 HA GLN 38 HA GLN 38 8.301 9.039 3.809 267 HB2 GLN 38 1HB GLN 38 8.284 6.627 3.139 268 HB3 GLN 38 2HB GLN 38 10.041 6.646 3.201 269 HG2 GLN 38 1HG GLN 38 9.347 5.726 5.239 270 HG3 GLN 38 2HG GLN 38 9.817 7.385 5.606 271 HE21 GLN 38 1HE2 GLN 38 8.565 7.761 7.345 272 HE22 GLN 38 2HE2 GLN 38 6.838 7.731 7.331 273 H LYS 39 H LYS 39 11.416 8.554 2.200 274 HA LYS 39 HA LYS 39 13.263 8.946 4.098 275 HB2 LYS 39 1HB LYS 39 13.065 10.050 1.324 276 HB3 LYS 39 2HB LYS 39 14.414 10.532 2.344 277 HG2 LYS 39 1HG LYS 39 15.240 8.725 1.143 278 HG3 LYS 39 2HG LYS 39 14.792 8.022 2.700 279 HD2 LYS 39 1HD LYS 39 12.809 7.080 1.803 280 HD3 LYS 39 2HD LYS 39 12.952 8.020 0.316 281 HE2 LYS 39 1HE LYS 39 13.712 5.953 -0.364 282 HE3 LYS 39 2HE LYS 39 15.219 6.760 0.066 283 HZ1 LYS 39 3HZ LYS 39 13.727 4.745 1.643 284 HZ2 LYS 39 1HZ LYS 39 14.965 5.687 2.306 285 HZ3 LYS 39 2HZ LYS 39 15.299 4.629 1.030 286 H ASN 40 H ASN 40 13.175 10.214 5.836 287 HA ASN 40 HA ASN 40 12.007 12.873 5.665 288 HB2 ASN 40 1HB ASN 40 13.181 11.504 8.091 289 HB3 ASN 40 2HB ASN 40 12.106 12.899 8.070 290 HD21 ASN 40 1HD2 ASN 40 12.254 9.661 8.562 291 HD22 ASN 40 2HD2 ASN 40 10.599 9.248 8.287 292 H SER 41 H SER 41 13.237 14.524 5.075 293 HA SER 41 HA SER 41 15.936 14.598 4.696 294 HB2 SER 41 1HB SER 41 14.260 16.936 5.641 295 HB3 SER 41 2HB SER 41 15.792 17.034 4.773 296 HG SER 41 HG SER 41 14.433 17.148 3.136 297 H GLY 42 H GLY 42 14.431 16.206 7.506 298 HA2 GLY 42 1HA GLY 42 15.394 15.272 9.703 299 HA3 GLY 42 2HA GLY 42 16.932 15.731 8.987 300 HA PRO 43 HA PRO 43 14.420 19.779 9.968 301 HB2 PRO 43 1HB PRO 43 12.459 19.475 11.820 302 HB3 PRO 43 2HB PRO 43 12.170 19.331 10.082 303 HG2 PRO 43 1HG PRO 43 12.569 17.175 12.120 304 HG3 PRO 43 2HG PRO 43 11.394 17.258 10.794 305 HD2 PRO 43 1HD PRO 43 13.673 15.805 10.633 306 HD3 PRO 43 2HD PRO 43 12.936 16.585 9.219 307 H SER 44 H SER 44 15.863 17.472 11.846 308 HA SER 44 HA SER 44 15.875 18.724 14.397 309 HB2 SER 44 1HB SER 44 17.497 17.103 15.020 310 HB3 SER 44 2HB SER 44 16.430 16.289 13.877 311 HG SER 44 HG SER 44 18.904 17.499 13.190 312 H SER 45 H SER 45 17.004 20.409 15.104 313 HA SER 45 HA SER 45 18.295 22.303 14.960 314 HB2 SER 45 1HB SER 45 20.324 20.131 14.383 315 HB3 SER 45 2HB SER 45 20.729 21.782 14.854 316 HG SER 45 HG SER 45 20.069 21.396 16.852 317 H GLY 46 H GLY 46 16.899 22.192 12.674 318 HA2 GLY 46 1HA GLY 46 17.262 23.681 10.794 319 HA3 GLY 46 2HA GLY 46 18.890 23.031 10.664 Start of MODEL 19 1 H1 GLY 1 H GLY 1 2.063 -24.705 -15.364 2 HA2 GLY 1 1HA GLY 1 3.085 -23.120 -17.626 3 HA3 GLY 1 2HA GLY 1 1.746 -24.231 -17.875 4 H SER 2 H SER 2 0.078 -23.880 -15.862 5 HA SER 2 HA SER 2 -0.808 -21.126 -16.230 6 HB2 SER 2 1HB SER 2 -2.242 -23.481 -14.977 7 HB3 SER 2 2HB SER 2 -2.955 -21.908 -15.334 8 HG SER 2 HG SER 2 -3.464 -23.155 -17.053 9 H SER 3 H SER 3 -0.399 -19.630 -14.759 10 HA SER 3 HA SER 3 -0.257 -20.416 -11.930 11 HB2 SER 3 1HB SER 3 1.778 -18.944 -13.548 12 HB3 SER 3 2HB SER 3 1.552 -18.477 -11.863 13 HG SER 3 HG SER 3 2.098 -20.531 -11.230 14 H GLY 4 H GLY 4 -2.512 -19.368 -13.172 15 HA2 GLY 4 1HA GLY 4 -3.608 -17.576 -11.593 16 HA3 GLY 4 2HA GLY 4 -2.550 -16.515 -12.511 17 H SER 5 H SER 5 -5.623 -17.280 -12.272 18 HA SER 5 HA SER 5 -6.508 -18.055 -14.800 19 HB2 SER 5 1HB SER 5 -7.831 -16.294 -12.726 20 HB3 SER 5 2HB SER 5 -8.654 -16.913 -14.158 21 HG SER 5 HG SER 5 -7.836 -18.241 -11.856 22 H SER 6 H SER 6 -7.741 -16.651 -16.344 23 HA SER 6 HA SER 6 -6.179 -14.929 -17.721 24 HB2 SER 6 1HB SER 6 -9.160 -15.090 -17.439 25 HB3 SER 6 2HB SER 6 -8.447 -13.805 -18.413 26 HG SER 6 HG SER 6 -7.457 -15.380 -19.687 27 H GLY 7 H GLY 7 -8.597 -13.892 -15.309 28 HA2 GLY 7 1HA GLY 7 -6.872 -11.660 -14.577 29 HA3 GLY 7 2HA GLY 7 -8.436 -11.237 -15.259 30 H SER 8 H SER 8 -6.955 -13.184 -12.681 31 HA SER 8 HA SER 8 -9.390 -12.789 -11.081 32 HB2 SER 8 1HB SER 8 -7.243 -14.889 -11.063 33 HB3 SER 8 2HB SER 8 -8.225 -14.612 -9.624 34 HG SER 8 HG SER 8 -9.503 -14.923 -12.097 35 H ARG 9 H ARG 9 -7.582 -10.650 -11.380 36 HA ARG 9 HA ARG 9 -6.211 -10.548 -8.782 37 HB2 ARG 9 1HB ARG 9 -5.775 -9.201 -11.406 38 HB3 ARG 9 2HB ARG 9 -5.321 -8.332 -9.946 39 HG2 ARG 9 1HG ARG 9 -3.356 -9.380 -10.401 40 HG3 ARG 9 2HG ARG 9 -4.113 -10.606 -9.382 41 HD2 ARG 9 1HD ARG 9 -3.376 -11.856 -11.179 42 HD3 ARG 9 2HD ARG 9 -5.049 -11.520 -11.622 43 HE ARG 9 HE ARG 9 -3.101 -9.634 -12.630 44 HH11 ARG 9 1HH1 ARG 9 -4.917 -12.545 -13.220 45 HH12 ARG 9 2HH1 ARG 9 -4.769 -12.443 -14.944 46 HH21 ARG 9 1HH2 ARG 9 -2.899 -9.488 -14.897 47 HH22 ARG 9 2HH2 ARG 9 -3.621 -10.704 -15.896 48 H GLU 10 H GLU 10 -8.860 -10.367 -8.476 49 HA GLU 10 HA GLU 10 -9.319 -7.494 -8.014 50 HB2 GLU 10 1HB GLU 10 -11.767 -8.010 -8.253 51 HB3 GLU 10 2HB GLU 10 -10.834 -8.148 -9.736 52 HG2 GLU 10 1HG GLU 10 -12.044 -10.054 -9.892 53 HG3 GLU 10 2HG GLU 10 -10.670 -10.671 -8.976 54 H LYS 11 H LYS 11 -10.361 -10.736 -6.966 55 HA LYS 11 HA LYS 11 -11.634 -10.306 -4.657 56 HB2 LYS 11 1HB LYS 11 -9.587 -12.347 -5.406 57 HB3 LYS 11 2HB LYS 11 -10.146 -12.298 -3.739 58 HG2 LYS 11 1HG LYS 11 -12.045 -12.453 -6.057 59 HG3 LYS 11 2HG LYS 11 -11.338 -13.888 -5.312 60 HD2 LYS 11 1HD LYS 11 -12.717 -11.826 -3.634 61 HD3 LYS 11 2HD LYS 11 -13.652 -13.048 -4.498 62 HE2 LYS 11 1HE LYS 11 -13.330 -14.117 -2.500 63 HE3 LYS 11 2HE LYS 11 -11.917 -14.684 -3.389 64 HZ1 LYS 11 3HZ LYS 11 -11.511 -12.207 -1.966 65 HZ2 LYS 11 1HZ LYS 11 -10.535 -13.588 -2.038 66 HZ3 LYS 11 2HZ LYS 11 -11.839 -13.529 -0.963 67 H SER 12 H SER 12 -8.071 -10.456 -4.809 68 HA SER 12 HA SER 12 -8.003 -8.757 -2.402 69 HB2 SER 12 1HB SER 12 -6.147 -11.003 -3.207 70 HB3 SER 12 2HB SER 12 -5.793 -9.866 -1.907 71 HG SER 12 HG SER 12 -7.573 -11.975 -1.983 72 H HIS 13 H HIS 13 -5.768 -7.660 -2.194 73 HA HIS 13 HA HIS 13 -4.672 -6.882 -4.789 74 HB2 HIS 13 1HB HIS 13 -6.021 -5.042 -2.836 75 HB3 HIS 13 2HB HIS 13 -4.739 -4.443 -3.885 76 HD1 HIS 13 HD1 HIS 13 -5.251 -5.129 -6.568 77 HD2 HIS 13 HD2 HIS 13 -8.455 -4.742 -3.951 78 HE1 HIS 13 HE1 HIS 13 -7.269 -4.769 -8.025 79 H GLN 14 H GLN 14 -2.553 -7.148 -4.652 80 HA GLN 14 HA GLN 14 -1.242 -6.774 -2.047 81 HB2 GLN 14 1HB GLN 14 -1.087 -9.009 -3.243 82 HB3 GLN 14 2HB GLN 14 -0.097 -8.195 -4.448 83 HG2 GLN 14 1HG GLN 14 1.401 -7.500 -2.514 84 HG3 GLN 14 2HG GLN 14 0.514 -8.683 -1.554 85 HE21 GLN 14 1HE2 GLN 14 0.973 -10.802 -1.766 86 HE22 GLN 14 2HE2 GLN 14 2.179 -11.436 -2.828 87 H CYS 15 H CYS 15 0.727 -5.630 -1.913 88 HA CYS 15 HA CYS 15 0.951 -3.508 -3.902 89 HB2 CYS 15 1HB CYS 15 0.852 -2.781 -1.603 90 HB3 CYS 15 2HB CYS 15 2.177 -3.852 -1.161 91 H ARG 16 H ARG 16 2.386 -3.620 -5.484 92 HA ARG 16 HA ARG 16 4.581 -5.534 -5.304 93 HB2 ARG 16 1HB ARG 16 2.955 -5.185 -7.328 94 HB3 ARG 16 2HB ARG 16 4.028 -3.848 -7.718 95 HG2 ARG 16 1HG ARG 16 5.929 -5.465 -7.683 96 HG3 ARG 16 2HG ARG 16 4.744 -6.761 -7.509 97 HD2 ARG 16 1HD ARG 16 3.788 -6.294 -9.625 98 HD3 ARG 16 2HD ARG 16 4.653 -4.764 -9.755 99 HE ARG 16 HE ARG 16 6.614 -6.662 -9.579 100 HH11 ARG 16 1HH1 ARG 16 3.899 -6.090 -11.681 101 HH12 ARG 16 2HH1 ARG 16 4.648 -6.819 -13.063 102 HH21 ARG 16 1HH2 ARG 16 7.612 -7.623 -11.391 103 HH22 ARG 16 2HH2 ARG 16 6.760 -7.691 -12.896 104 H GLU 17 H GLU 17 4.639 -3.070 -3.745 105 HA GLU 17 HA GLU 17 6.994 -1.785 -4.965 106 HB2 GLU 17 1HB GLU 17 5.079 -0.538 -2.989 107 HB3 GLU 17 2HB GLU 17 6.419 0.259 -3.803 108 HG2 GLU 17 1HG GLU 17 5.262 -0.186 -5.970 109 HG3 GLU 17 2HG GLU 17 3.877 -0.761 -5.043 110 H CYS 18 H CYS 18 5.478 -2.612 -1.855 111 HA CYS 18 HA CYS 18 8.184 -2.932 -0.731 112 HB2 CYS 18 1HB CYS 18 7.231 -2.310 1.466 113 HB3 CYS 18 2HB CYS 18 7.090 -1.011 0.285 114 H GLY 19 H GLY 19 4.804 -4.012 -0.495 115 HA2 GLY 19 1HA GLY 19 4.586 -6.507 -0.729 116 HA3 GLY 19 2HA GLY 19 5.810 -6.595 0.530 117 H GLU 20 H GLU 20 2.515 -5.518 -0.164 118 HA GLU 20 HA GLU 20 1.769 -6.235 2.566 119 HB2 GLU 20 1HB GLU 20 1.565 -3.508 1.367 120 HB3 GLU 20 2HB GLU 20 0.283 -4.049 2.442 121 HG2 GLU 20 1HG GLU 20 3.193 -3.673 3.062 122 HG3 GLU 20 2HG GLU 20 1.803 -2.863 3.783 123 H ILE 21 H ILE 21 -0.457 -6.701 2.835 124 HA ILE 21 HA ILE 21 -1.894 -7.126 0.296 125 HB ILE 21 HB ILE 21 -2.062 -8.786 2.814 126 HG12 ILE 21 1HG1 ILE 21 -0.987 -9.576 0.103 127 HG13 ILE 21 2HG1 ILE 21 0.036 -9.018 1.422 128 HG21 ILE 21 1HG2 ILE 21 -3.383 -9.207 0.137 129 HG22 ILE 21 2HG2 ILE 21 -3.517 -10.253 1.550 130 HG23 ILE 21 3HG2 ILE 21 -4.191 -8.624 1.592 131 HD11 ILE 21 3HD1 ILE 21 -0.396 -10.910 2.709 132 HD12 ILE 21 1HD1 ILE 21 -1.817 -11.344 1.760 133 HD13 ILE 21 2HD1 ILE 21 -0.205 -11.530 1.069 134 H PHE 22 H PHE 22 -3.680 -5.968 0.074 135 HA PHE 22 HA PHE 22 -5.149 -5.163 2.498 136 HB2 PHE 22 1HB PHE 22 -4.717 -3.565 -0.034 137 HB3 PHE 22 2HB PHE 22 -5.787 -3.087 1.280 138 HD1 PHE 22 HD1 PHE 22 -2.317 -3.456 0.207 139 HD2 PHE 22 HD2 PHE 22 -4.899 -2.299 3.386 140 HE1 PHE 22 HE1 PHE 22 -0.429 -2.351 1.333 141 HE2 PHE 22 HE2 PHE 22 -3.016 -1.191 4.517 142 HZ PHE 22 HZ PHE 22 -0.777 -1.216 3.491 143 H PHE 23 H PHE 23 -7.421 -5.020 2.329 144 HA PHE 23 HA PHE 23 -8.523 -6.734 0.222 145 HB2 PHE 23 1HB PHE 23 -9.966 -5.837 2.712 146 HB3 PHE 23 2HB PHE 23 -10.322 -7.222 1.685 147 HD1 PHE 23 HD2 PHE 23 -8.771 -9.182 1.699 148 HD2 PHE 23 HD1 PHE 23 -8.464 -6.002 4.512 149 HE1 PHE 23 HE2 PHE 23 -7.423 -10.619 3.172 150 HE2 PHE 23 HE1 PHE 23 -7.114 -7.434 5.989 151 HZ PHE 23 HZ PHE 23 -6.593 -9.747 5.320 152 H GLN 24 H GLN 24 -9.313 -3.730 1.965 153 HA GLN 24 HA GLN 24 -11.354 -2.988 0.104 154 HB2 GLN 24 1HB GLN 24 -9.939 -1.375 2.233 155 HB3 GLN 24 2HB GLN 24 -11.345 -0.829 1.330 156 HG2 GLN 24 1HG GLN 24 -12.370 -1.590 3.204 157 HG3 GLN 24 2HG GLN 24 -12.380 -3.069 2.246 158 HE21 GLN 24 1HE2 GLN 24 -9.916 -1.424 4.199 159 HE22 GLN 24 2HE2 GLN 24 -9.542 -2.791 5.188 160 H TYR 25 H TYR 25 -11.257 -0.772 -0.966 161 HA TYR 25 HA TYR 25 -8.923 -0.733 -2.672 162 HB2 TYR 25 1HB TYR 25 -11.430 -0.369 -3.329 163 HB3 TYR 25 2HB TYR 25 -11.129 1.291 -2.828 164 HD1 TYR 25 HD1 TYR 25 -9.636 -1.356 -5.003 165 HD2 TYR 25 HD2 TYR 25 -10.369 2.793 -4.412 166 HE1 TYR 25 HE1 TYR 25 -8.661 -0.875 -7.210 167 HE2 TYR 25 HE2 TYR 25 -9.398 3.285 -6.617 168 HH TYR 25 HH TYR 25 -9.104 1.867 -8.857 169 H VAL 26 H VAL 26 -10.641 1.750 -0.768 170 HA VAL 26 HA VAL 26 -8.910 3.836 -0.957 171 HB VAL 26 HB VAL 26 -10.332 2.955 1.559 172 HG11 VAL 26 1HG1 VAL 26 -10.081 5.178 2.372 173 HG12 VAL 26 2HG1 VAL 26 -8.480 4.620 1.881 174 HG13 VAL 26 3HG1 VAL 26 -9.386 5.724 0.845 175 HG21 VAL 26 3HG2 VAL 26 -11.618 3.409 -0.655 176 HG22 VAL 26 1HG2 VAL 26 -12.193 4.129 0.849 177 HG23 VAL 26 2HG2 VAL 26 -11.273 5.101 -0.299 178 H SER 27 H SER 27 -8.548 0.979 1.072 179 HA SER 27 HA SER 27 -6.404 1.808 2.649 180 HB2 SER 27 1HB SER 27 -7.091 -0.952 1.616 181 HB3 SER 27 2HB SER 27 -5.888 -0.632 2.865 182 HG SER 27 HG SER 27 -7.450 -0.493 4.248 183 H LEU 28 H LEU 28 -6.393 0.183 -0.509 184 HA LEU 28 HA LEU 28 -3.537 0.192 -0.712 185 HB2 LEU 28 1HB LEU 28 -4.921 -1.493 -1.824 186 HB3 LEU 28 2HB LEU 28 -5.644 -0.237 -2.826 187 HG LEU 28 HG LEU 28 -3.312 0.190 -3.727 188 HD11 LEU 28 1HD1 LEU 28 -1.569 -0.945 -2.958 189 HD12 LEU 28 2HD1 LEU 28 -2.388 -2.483 -3.224 190 HD13 LEU 28 3HD1 LEU 28 -2.616 -1.614 -1.707 191 HD21 LEU 28 3HD2 LEU 28 -4.652 -2.466 -4.218 192 HD22 LEU 28 1HD2 LEU 28 -3.425 -1.747 -5.261 193 HD23 LEU 28 2HD2 LEU 28 -4.981 -0.944 -5.046 194 H ILE 29 H ILE 29 -5.982 1.782 -2.769 195 HA ILE 29 HA ILE 29 -4.466 3.472 -4.213 196 HB ILE 29 HB ILE 29 -6.993 3.324 -4.207 197 HG12 ILE 29 1HG1 ILE 29 -5.968 6.162 -4.244 198 HG13 ILE 29 2HG1 ILE 29 -5.558 4.993 -5.495 199 HG21 ILE 29 1HG2 ILE 29 -6.917 5.598 -2.258 200 HG22 ILE 29 2HG2 ILE 29 -8.287 4.610 -2.763 201 HG23 ILE 29 3HG2 ILE 29 -7.052 3.929 -1.705 202 HD11 ILE 29 3HD1 ILE 29 -7.347 5.932 -6.492 203 HD12 ILE 29 1HD1 ILE 29 -8.209 4.731 -5.530 204 HD13 ILE 29 2HD1 ILE 29 -8.096 6.398 -4.965 205 H GLU 30 H GLU 30 -5.275 3.858 -0.812 206 HA GLU 30 HA GLU 30 -4.107 6.474 -0.603 207 HB2 GLU 30 1HB GLU 30 -5.955 5.591 0.870 208 HB3 GLU 30 2HB GLU 30 -4.756 4.563 1.643 209 HG2 GLU 30 1HG GLU 30 -3.737 6.307 2.706 210 HG3 GLU 30 2HG GLU 30 -4.221 7.480 1.484 211 H HIS 31 H HIS 31 -3.179 3.232 0.544 212 HA HIS 31 HA HIS 31 -0.803 3.784 1.776 213 HB2 HIS 31 1HB HIS 31 -1.529 1.549 1.857 214 HB3 HIS 31 2HB HIS 31 -1.660 1.435 0.104 215 HD1 HIS 31 HD1 HIS 31 1.129 1.977 2.645 216 HD2 HIS 31 HD2 HIS 31 0.405 0.082 -0.980 217 HE1 HIS 31 HE1 HIS 31 3.258 0.762 2.085 218 H GLN 32 H GLN 32 -1.380 3.445 -1.695 219 HA GLN 32 HA GLN 32 1.221 3.481 -2.631 220 HB2 GLN 32 1HB GLN 32 -1.286 4.670 -3.816 221 HB3 GLN 32 2HB GLN 32 0.241 4.583 -4.684 222 HG2 GLN 32 1HG GLN 32 0.155 2.072 -4.190 223 HG3 GLN 32 2HG GLN 32 -1.540 2.349 -3.793 224 HE21 GLN 32 1HE2 GLN 32 -2.694 1.590 -5.419 225 HE22 GLN 32 2HE2 GLN 32 -2.424 1.918 -7.093 226 H VAL 33 H VAL 33 -0.884 6.242 -1.882 227 HA VAL 33 HA VAL 33 0.592 8.366 -2.692 228 HB VAL 33 HB VAL 33 -0.812 8.136 -0.027 229 HG11 VAL 33 1HG1 VAL 33 0.336 10.462 -1.518 230 HG12 VAL 33 2HG1 VAL 33 -1.052 10.678 -0.450 231 HG13 VAL 33 3HG1 VAL 33 0.468 10.057 0.193 232 HG21 VAL 33 3HG2 VAL 33 -2.779 8.573 -1.064 233 HG22 VAL 33 1HG2 VAL 33 -2.024 9.561 -2.315 234 HG23 VAL 33 2HG2 VAL 33 -1.962 7.802 -2.424 235 H LEU 34 H LEU 34 1.048 6.634 0.384 236 HA LEU 34 HA LEU 34 3.084 8.110 1.483 237 HB2 LEU 34 1HB LEU 34 2.706 5.121 1.509 238 HB3 LEU 34 2HB LEU 34 3.835 5.985 2.550 239 HG LEU 34 HG LEU 34 0.870 6.506 2.573 240 HD11 LEU 34 1HD1 LEU 34 0.535 4.586 3.625 241 HD12 LEU 34 2HD1 LEU 34 1.670 5.088 4.878 242 HD13 LEU 34 3HD1 LEU 34 2.246 4.179 3.480 243 HD21 LEU 34 3HD2 LEU 34 2.511 8.197 3.494 244 HD22 LEU 34 1HD2 LEU 34 2.922 6.994 4.717 245 HD23 LEU 34 2HD2 LEU 34 1.276 7.621 4.615 246 H HIS 35 H HIS 35 3.415 5.393 -0.792 247 HA HIS 35 HA HIS 35 6.185 5.337 -0.968 248 HB2 HIS 35 1HB HIS 35 4.015 4.633 -2.929 249 HB3 HIS 35 2HB HIS 35 5.716 4.468 -3.357 250 HD1 HIS 35 HD1 HIS 35 6.924 3.208 -0.927 251 HD2 HIS 35 HD2 HIS 35 3.182 2.126 -2.373 252 HE1 HIS 35 HE1 HIS 35 6.505 0.892 -0.041 253 H MET 36 H MET 36 3.904 7.084 -3.081 254 HA MET 36 HA MET 36 6.012 8.471 -4.442 255 HB2 MET 36 1HB MET 36 4.180 9.712 -5.534 256 HB3 MET 36 2HB MET 36 3.939 7.971 -5.608 257 HG2 MET 36 1HG MET 36 2.459 8.242 -3.564 258 HG3 MET 36 2HG MET 36 2.522 9.973 -3.885 259 HE1 MET 36 3HE MET 36 -0.560 9.701 -4.278 260 HE2 MET 36 1HE MET 36 0.703 10.904 -4.537 261 HE3 MET 36 2HE MET 36 -0.404 10.492 -5.847 262 H GLY 37 H GLY 37 7.092 10.154 -3.667 263 HA2 GLY 37 1HA GLY 37 6.569 12.560 -2.949 264 HA3 GLY 37 2HA GLY 37 5.826 11.781 -1.560 265 H GLN 38 H GLN 38 7.208 10.517 -0.144 266 HA GLN 38 HA GLN 38 9.650 11.877 0.408 267 HB2 GLN 38 1HB GLN 38 8.046 10.768 2.075 268 HB3 GLN 38 2HB GLN 38 8.815 9.252 1.623 269 HG2 GLN 38 1HG GLN 38 10.097 11.641 2.919 270 HG3 GLN 38 2HG GLN 38 9.848 10.040 3.612 271 HE21 GLN 38 1HE2 GLN 38 10.851 8.250 2.191 272 HE22 GLN 38 2HE2 GLN 38 12.471 8.546 1.670 273 H LYS 39 H LYS 39 11.239 11.622 -1.064 274 HA LYS 39 HA LYS 39 11.859 8.971 -2.100 275 HB2 LYS 39 1HB LYS 39 11.816 11.000 -3.577 276 HB3 LYS 39 2HB LYS 39 13.223 11.597 -2.708 277 HG2 LYS 39 1HG LYS 39 14.258 10.617 -4.475 278 HG3 LYS 39 2HG LYS 39 14.199 9.237 -3.377 279 HD2 LYS 39 1HD LYS 39 11.897 9.680 -5.209 280 HD3 LYS 39 2HD LYS 39 13.397 9.047 -5.891 281 HE2 LYS 39 1HE LYS 39 13.313 7.337 -3.983 282 HE3 LYS 39 2HE LYS 39 11.637 7.844 -3.777 283 HZ1 LYS 39 3HZ LYS 39 11.471 6.063 -5.212 284 HZ2 LYS 39 1HZ LYS 39 12.882 6.457 -6.058 285 HZ3 LYS 39 2HZ LYS 39 11.477 7.370 -6.287 286 H ASN 40 H ASN 40 13.504 11.580 -0.326 287 HA ASN 40 HA ASN 40 15.174 9.565 0.976 288 HB2 ASN 40 1HB ASN 40 17.152 11.183 0.667 289 HB3 ASN 40 2HB ASN 40 16.674 10.205 -0.718 290 HD21 ASN 40 1HD2 ASN 40 17.502 11.603 -2.226 291 HD22 ASN 40 2HD2 ASN 40 16.808 13.151 -2.553 292 H SER 41 H SER 41 15.455 9.944 3.091 293 HA SER 41 HA SER 41 15.233 12.639 4.156 294 HB2 SER 41 1HB SER 41 12.895 11.605 4.051 295 HB3 SER 41 2HB SER 41 13.452 10.483 5.292 296 HG SER 41 HG SER 41 12.489 12.876 5.669 297 H GLY 42 H GLY 42 16.914 12.851 5.468 298 HA2 GLY 42 1HA GLY 42 18.313 12.428 7.262 299 HA3 GLY 42 2HA GLY 42 17.410 10.952 7.571 300 HA PRO 43 HA PRO 43 21.653 10.149 5.578 301 HB2 PRO 43 1HB PRO 43 22.934 9.201 7.776 302 HB3 PRO 43 2HB PRO 43 22.950 10.908 7.316 303 HG2 PRO 43 1HG PRO 43 21.264 9.511 9.358 304 HG3 PRO 43 2HG PRO 43 22.090 11.076 9.470 305 HD2 PRO 43 1HD PRO 43 19.441 10.862 8.954 306 HD3 PRO 43 2HD PRO 43 20.439 12.175 8.297 307 H SER 44 H SER 44 19.273 8.539 7.416 308 HA SER 44 HA SER 44 20.379 5.887 7.050 309 HB2 SER 44 1HB SER 44 17.618 6.642 8.027 310 HB3 SER 44 2HB SER 44 18.436 5.094 8.239 311 HG SER 44 HG SER 44 18.883 6.056 10.100 312 H SER 45 H SER 45 20.293 4.959 5.121 313 HA SER 45 HA SER 45 17.766 4.956 3.659 314 HB2 SER 45 1HB SER 45 19.321 6.825 2.811 315 HB3 SER 45 2HB SER 45 20.326 5.523 2.174 316 HG SER 45 HG SER 45 18.952 5.272 0.612 317 H GLY 46 H GLY 46 17.295 2.880 3.402 318 HA2 GLY 46 1HA GLY 46 19.331 1.086 2.318 319 HA3 GLY 46 2HA GLY 46 18.621 0.642 3.863 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -14.630 -32.974 9.438 2 HA2 GLY 1 1HA GLY 1 -13.164 -30.437 9.053 3 HA3 GLY 1 2HA GLY 1 -12.503 -32.021 8.673 4 H SER 2 H SER 2 -13.875 -29.305 7.380 5 HA SER 2 HA SER 2 -13.999 -30.403 4.767 6 HB2 SER 2 1HB SER 2 -16.397 -30.081 4.331 7 HB3 SER 2 2HB SER 2 -16.142 -31.288 5.592 8 HG SER 2 HG SER 2 -16.524 -28.598 6.302 9 H SER 3 H SER 3 -13.461 -28.824 3.415 10 HA SER 3 HA SER 3 -14.151 -26.054 4.141 11 HB2 SER 3 1HB SER 3 -12.006 -25.274 3.526 12 HB3 SER 3 2HB SER 3 -11.695 -26.725 4.480 13 HG SER 3 HG SER 3 -11.215 -27.834 2.651 14 H GLY 4 H GLY 4 -13.686 -24.582 2.116 15 HA2 GLY 4 1HA GLY 4 -14.326 -25.894 -0.401 16 HA3 GLY 4 2HA GLY 4 -15.571 -24.835 0.245 17 H SER 5 H SER 5 -15.490 -22.750 -0.283 18 HA SER 5 HA SER 5 -12.922 -21.626 -1.175 19 HB2 SER 5 1HB SER 5 -14.585 -22.299 -3.058 20 HB3 SER 5 2HB SER 5 -15.494 -20.879 -2.542 21 HG SER 5 HG SER 5 -13.740 -19.598 -3.036 22 H SER 6 H SER 6 -12.413 -19.912 -0.003 23 HA SER 6 HA SER 6 -13.828 -18.759 2.002 24 HB2 SER 6 1HB SER 6 -12.418 -16.709 1.654 25 HB3 SER 6 2HB SER 6 -11.502 -18.215 1.688 26 HG SER 6 HG SER 6 -10.766 -17.106 -0.060 27 H GLY 7 H GLY 7 -13.575 -17.284 -1.244 28 HA2 GLY 7 1HA GLY 7 -16.367 -16.435 -1.029 29 HA3 GLY 7 2HA GLY 7 -15.153 -15.175 -1.202 30 H SER 8 H SER 8 -17.075 -15.283 -3.071 31 HA SER 8 HA SER 8 -15.625 -16.293 -5.420 32 HB2 SER 8 1HB SER 8 -17.858 -16.834 -6.449 33 HB3 SER 8 2HB SER 8 -17.414 -17.865 -5.089 34 HG SER 8 HG SER 8 -19.092 -15.582 -4.906 35 H ARG 9 H ARG 9 -15.618 -14.974 -7.190 36 HA ARG 9 HA ARG 9 -15.901 -13.109 -8.468 37 HB2 ARG 9 1HB ARG 9 -18.357 -13.589 -8.003 38 HB3 ARG 9 2HB ARG 9 -18.252 -12.387 -6.724 39 HG2 ARG 9 1HG ARG 9 -17.786 -10.652 -8.276 40 HG3 ARG 9 2HG ARG 9 -17.560 -11.807 -9.590 41 HD2 ARG 9 1HD ARG 9 -19.708 -10.878 -9.903 42 HD3 ARG 9 2HD ARG 9 -19.967 -12.488 -9.233 43 HE ARG 9 HE ARG 9 -19.965 -10.923 -7.038 44 HH11 ARG 9 1HH1 ARG 9 -21.663 -10.745 -10.072 45 HH12 ARG 9 2HH1 ARG 9 -23.053 -9.962 -9.397 46 HH21 ARG 9 1HH2 ARG 9 -21.790 -9.893 -6.138 47 HH22 ARG 9 2HH2 ARG 9 -23.124 -9.477 -7.159 48 H GLU 10 H GLU 10 -14.074 -13.040 -6.403 49 HA GLU 10 HA GLU 10 -14.135 -10.190 -5.707 50 HB2 GLU 10 1HB GLU 10 -12.895 -11.075 -3.527 51 HB3 GLU 10 2HB GLU 10 -14.643 -10.906 -3.601 52 HG2 GLU 10 1HG GLU 10 -14.668 -13.348 -4.346 53 HG3 GLU 10 2HG GLU 10 -12.996 -13.400 -3.789 54 H LYS 11 H LYS 11 -12.069 -9.227 -5.418 55 HA LYS 11 HA LYS 11 -9.753 -10.839 -6.199 56 HB2 LYS 11 1HB LYS 11 -10.924 -8.563 -7.715 57 HB3 LYS 11 2HB LYS 11 -9.170 -8.648 -7.615 58 HG2 LYS 11 1HG LYS 11 -10.839 -10.975 -8.515 59 HG3 LYS 11 2HG LYS 11 -10.263 -9.731 -9.627 60 HD2 LYS 11 1HD LYS 11 -7.937 -10.222 -8.673 61 HD3 LYS 11 2HD LYS 11 -8.662 -11.683 -7.998 62 HE2 LYS 11 1HE LYS 11 -9.237 -12.488 -10.168 63 HE3 LYS 11 2HE LYS 11 -8.804 -10.952 -10.916 64 HZ1 LYS 11 3HZ LYS 11 -6.499 -11.535 -9.809 65 HZ2 LYS 11 1HZ LYS 11 -6.924 -12.117 -11.339 66 HZ3 LYS 11 2HZ LYS 11 -7.079 -13.115 -9.982 67 H SER 12 H SER 12 -7.778 -10.077 -5.446 68 HA SER 12 HA SER 12 -7.960 -7.858 -3.515 69 HB2 SER 12 1HB SER 12 -6.102 -10.246 -3.424 70 HB3 SER 12 2HB SER 12 -6.220 -8.972 -2.211 71 HG SER 12 HG SER 12 -7.717 -10.150 -1.347 72 H HIS 13 H HIS 13 -5.587 -7.061 -2.999 73 HA HIS 13 HA HIS 13 -4.087 -6.775 -5.508 74 HB2 HIS 13 1HB HIS 13 -5.156 -4.579 -3.754 75 HB3 HIS 13 2HB HIS 13 -3.725 -4.323 -4.749 76 HD1 HIS 13 HD1 HIS 13 -4.199 -4.995 -7.417 77 HD2 HIS 13 HD2 HIS 13 -7.442 -3.948 -5.040 78 HE1 HIS 13 HE1 HIS 13 -6.028 -4.355 -9.020 79 H GLN 14 H GLN 14 -1.863 -6.242 -5.252 80 HA GLN 14 HA GLN 14 -0.806 -6.483 -2.525 81 HB2 GLN 14 1HB GLN 14 -0.783 -8.683 -3.866 82 HB3 GLN 14 2HB GLN 14 0.480 -7.927 -4.828 83 HG2 GLN 14 1HG GLN 14 1.881 -7.690 -2.882 84 HG3 GLN 14 2HG GLN 14 0.598 -8.315 -1.847 85 HE21 GLN 14 1HE2 GLN 14 -0.303 -10.492 -2.916 86 HE22 GLN 14 2HE2 GLN 14 0.933 -11.664 -3.203 87 H CYS 15 H CYS 15 0.553 -4.887 -2.086 88 HA CYS 15 HA CYS 15 1.527 -3.183 -4.209 89 HB2 CYS 15 1HB CYS 15 0.675 -2.192 -2.133 90 HB3 CYS 15 2HB CYS 15 1.925 -3.025 -1.213 91 H ARG 16 H ARG 16 3.312 -3.686 -5.284 92 HA ARG 16 HA ARG 16 5.253 -5.528 -4.303 93 HB2 ARG 16 1HB ARG 16 4.793 -5.358 -6.686 94 HB3 ARG 16 2HB ARG 16 5.310 -3.677 -6.692 95 HG2 ARG 16 1HG ARG 16 7.554 -4.682 -5.794 96 HG3 ARG 16 2HG ARG 16 6.938 -6.162 -6.530 97 HD2 ARG 16 1HD ARG 16 8.214 -5.156 -8.215 98 HD3 ARG 16 2HD ARG 16 6.547 -4.750 -8.621 99 HE ARG 16 HE ARG 16 7.701 -2.717 -7.027 100 HH11 ARG 16 1HH1 ARG 16 7.741 -4.028 -10.252 101 HH12 ARG 16 2HH1 ARG 16 8.187 -2.529 -10.996 102 HH21 ARG 16 1HH2 ARG 16 8.288 -0.737 -7.996 103 HH22 ARG 16 2HH2 ARG 16 8.498 -0.657 -9.712 104 H GLU 17 H GLU 17 5.162 -2.012 -4.701 105 HA GLU 17 HA GLU 17 7.660 -1.167 -4.280 106 HB2 GLU 17 1HB GLU 17 5.196 -0.176 -2.840 107 HB3 GLU 17 2HB GLU 17 6.731 0.679 -2.854 108 HG2 GLU 17 1HG GLU 17 4.954 0.086 -5.204 109 HG3 GLU 17 2HG GLU 17 5.305 1.660 -4.491 110 H CYS 18 H CYS 18 5.534 -2.271 -1.648 111 HA CYS 18 HA CYS 18 7.934 -2.609 0.029 112 HB2 CYS 18 1HB CYS 18 6.280 -2.501 1.958 113 HB3 CYS 18 2HB CYS 18 6.547 -0.998 1.081 114 H GLY 19 H GLY 19 4.758 -3.999 -0.751 115 HA2 GLY 19 1HA GLY 19 4.642 -6.370 -1.278 116 HA3 GLY 19 2HA GLY 19 5.870 -6.642 -0.051 117 H GLU 20 H GLU 20 2.590 -5.286 -0.374 118 HA GLU 20 HA GLU 20 1.793 -6.833 1.977 119 HB2 GLU 20 1HB GLU 20 2.449 -4.434 2.599 120 HB3 GLU 20 2HB GLU 20 1.010 -3.937 1.721 121 HG2 GLU 20 1HG GLU 20 0.175 -4.062 3.834 122 HG3 GLU 20 2HG GLU 20 -0.160 -5.698 3.270 123 H ILE 21 H ILE 21 -0.458 -7.238 2.119 124 HA ILE 21 HA ILE 21 -1.889 -6.801 -0.419 125 HB ILE 21 HB ILE 21 -2.180 -9.068 1.555 126 HG12 ILE 21 1HG1 ILE 21 -1.325 -9.206 -1.335 127 HG13 ILE 21 2HG1 ILE 21 -0.170 -9.019 -0.020 128 HG21 ILE 21 1HG2 ILE 21 -4.298 -8.248 0.412 129 HG22 ILE 21 2HG2 ILE 21 -3.577 -8.817 -1.092 130 HG23 ILE 21 3HG2 ILE 21 -3.899 -9.954 0.216 131 HD11 ILE 21 3HD1 ILE 21 -2.102 -11.305 -0.328 132 HD12 ILE 21 1HD1 ILE 21 -0.390 -11.342 -0.745 133 HD13 ILE 21 2HD1 ILE 21 -0.883 -11.126 0.934 134 H PHE 22 H PHE 22 -3.515 -5.416 -0.295 135 HA PHE 22 HA PHE 22 -4.796 -4.952 2.305 136 HB2 PHE 22 1HB PHE 22 -4.966 -3.254 -0.191 137 HB3 PHE 22 2HB PHE 22 -5.529 -2.823 1.421 138 HD1 PHE 22 HD1 PHE 22 -2.422 -3.814 -0.379 139 HD2 PHE 22 HD2 PHE 22 -4.167 -1.558 2.780 140 HE1 PHE 22 HE1 PHE 22 -0.229 -2.810 0.111 141 HE2 PHE 22 HE2 PHE 22 -1.978 -0.550 3.275 142 HZ PHE 22 HZ PHE 22 -0.005 -1.175 1.939 143 H PHE 23 H PHE 23 -6.924 -5.315 2.634 144 HA PHE 23 HA PHE 23 -8.316 -7.005 0.816 145 HB2 PHE 23 1HB PHE 23 -9.454 -5.556 3.212 146 HB3 PHE 23 2HB PHE 23 -10.099 -7.001 2.441 147 HD1 PHE 23 HD2 PHE 23 -8.378 -9.018 2.335 148 HD2 PHE 23 HD1 PHE 23 -8.230 -5.812 5.131 149 HE1 PHE 23 HE2 PHE 23 -7.064 -10.422 3.870 150 HE2 PHE 23 HE1 PHE 23 -6.915 -7.211 6.670 151 HZ PHE 23 HZ PHE 23 -6.331 -9.519 6.041 152 H GLN 24 H GLN 24 -8.869 -3.664 1.911 153 HA GLN 24 HA GLN 24 -10.835 -3.299 -0.220 154 HB2 GLN 24 1HB GLN 24 -10.088 -1.699 2.213 155 HB3 GLN 24 2HB GLN 24 -11.067 -1.002 0.930 156 HG2 GLN 24 1HG GLN 24 -12.542 -3.111 1.268 157 HG3 GLN 24 2HG GLN 24 -11.727 -3.205 2.829 158 HE21 GLN 24 1HE2 GLN 24 -13.829 -2.879 3.751 159 HE22 GLN 24 2HE2 GLN 24 -14.480 -1.284 3.875 160 H TYR 25 H TYR 25 -10.666 -1.677 -1.786 161 HA TYR 25 HA TYR 25 -8.031 -1.204 -2.746 162 HB2 TYR 25 1HB TYR 25 -10.234 -1.429 -4.083 163 HB3 TYR 25 2HB TYR 25 -10.466 0.276 -3.711 164 HD1 TYR 25 HD1 TYR 25 -8.293 -2.140 -5.463 165 HD2 TYR 25 HD2 TYR 25 -9.223 1.966 -4.844 166 HE1 TYR 25 HE1 TYR 25 -6.873 -1.536 -7.378 167 HE2 TYR 25 HE2 TYR 25 -7.806 2.581 -6.758 168 HH TYR 25 HH TYR 25 -5.555 0.629 -8.081 169 H VAL 26 H VAL 26 -10.569 1.050 -1.641 170 HA VAL 26 HA VAL 26 -9.268 3.426 -1.740 171 HB VAL 26 HB VAL 26 -10.887 2.614 0.672 172 HG11 VAL 26 1HG1 VAL 26 -10.916 5.286 -0.672 173 HG12 VAL 26 2HG1 VAL 26 -11.317 4.866 0.995 174 HG13 VAL 26 3HG1 VAL 26 -9.634 4.875 0.466 175 HG21 VAL 26 3HG2 VAL 26 -12.763 3.669 -0.837 176 HG22 VAL 26 1HG2 VAL 26 -11.711 3.127 -2.145 177 HG23 VAL 26 2HG2 VAL 26 -12.342 1.962 -0.980 178 H SER 27 H SER 27 -8.609 0.793 0.431 179 HA SER 27 HA SER 27 -7.041 2.298 2.289 180 HB2 SER 27 1HB SER 27 -8.204 -0.012 2.610 181 HB3 SER 27 2HB SER 27 -6.736 -0.663 1.880 182 HG SER 27 HG SER 27 -6.376 -0.617 4.053 183 H LEU 28 H LEU 28 -6.216 -0.003 -0.302 184 HA LEU 28 HA LEU 28 -3.434 0.264 -0.102 185 HB2 LEU 28 1HB LEU 28 -4.170 -1.572 -1.319 186 HB3 LEU 28 2HB LEU 28 -5.291 -0.608 -2.278 187 HG LEU 28 HG LEU 28 -3.355 0.378 -3.470 188 HD11 LEU 28 1HD1 LEU 28 -1.294 -1.361 -3.082 189 HD12 LEU 28 2HD1 LEU 28 -1.906 -1.153 -1.441 190 HD13 LEU 28 3HD1 LEU 28 -1.405 0.253 -2.380 191 HD21 LEU 28 3HD2 LEU 28 -4.237 -1.278 -4.758 192 HD22 LEU 28 1HD2 LEU 28 -4.031 -2.511 -3.514 193 HD23 LEU 28 2HD2 LEU 28 -2.644 -1.978 -4.465 194 H ILE 29 H ILE 29 -5.584 1.701 -2.563 195 HA ILE 29 HA ILE 29 -3.845 3.312 -3.885 196 HB ILE 29 HB ILE 29 -6.334 3.084 -4.294 197 HG12 ILE 29 1HG1 ILE 29 -5.318 5.928 -4.360 198 HG13 ILE 29 2HG1 ILE 29 -4.766 4.681 -5.473 199 HG21 ILE 29 1HG2 ILE 29 -7.881 4.412 -3.179 200 HG22 ILE 29 2HG2 ILE 29 -6.821 3.859 -1.884 201 HG23 ILE 29 3HG2 ILE 29 -6.640 5.487 -2.536 202 HD11 ILE 29 3HD1 ILE 29 -7.645 4.814 -5.393 203 HD12 ILE 29 1HD1 ILE 29 -6.932 6.376 -5.799 204 HD13 ILE 29 2HD1 ILE 29 -6.544 4.951 -6.764 205 H GLU 30 H GLU 30 -5.307 3.946 -0.736 206 HA GLU 30 HA GLU 30 -4.271 6.590 -0.489 207 HB2 GLU 30 1HB GLU 30 -5.649 4.651 1.296 208 HB3 GLU 30 2HB GLU 30 -4.731 5.941 2.062 209 HG2 GLU 30 1HG GLU 30 -7.232 6.299 1.590 210 HG3 GLU 30 2HG GLU 30 -6.100 7.598 1.222 211 H HIS 31 H HIS 31 -3.130 3.394 0.394 212 HA HIS 31 HA HIS 31 -0.998 4.236 2.062 213 HB2 HIS 31 1HB HIS 31 -1.500 2.009 2.397 214 HB3 HIS 31 2HB HIS 31 -1.746 1.696 0.681 215 HD1 HIS 31 HD1 HIS 31 1.029 2.141 3.204 216 HD2 HIS 31 HD2 HIS 31 0.441 0.701 -0.649 217 HE1 HIS 31 HE1 HIS 31 3.188 1.019 2.568 218 H GLN 32 H GLN 32 -0.996 3.052 -1.304 219 HA GLN 32 HA GLN 32 1.634 3.330 -1.944 220 HB2 GLN 32 1HB GLN 32 0.853 3.891 -4.276 221 HB3 GLN 32 2HB GLN 32 0.145 2.443 -3.572 222 HG2 GLN 32 1HG GLN 32 -1.866 3.737 -2.994 223 HG3 GLN 32 2HG GLN 32 -1.157 5.148 -3.776 224 HE21 GLN 32 1HE2 GLN 32 -1.773 5.483 -5.780 225 HE22 GLN 32 2HE2 GLN 32 -2.345 4.287 -6.887 226 H VAL 33 H VAL 33 -0.794 5.905 -1.868 227 HA VAL 33 HA VAL 33 0.542 8.014 -2.961 228 HB VAL 33 HB VAL 33 -1.206 8.003 -0.502 229 HG11 VAL 33 1HG1 VAL 33 -0.563 10.103 -0.139 230 HG12 VAL 33 2HG1 VAL 33 0.383 10.140 -1.628 231 HG13 VAL 33 3HG1 VAL 33 -1.338 10.524 -1.665 232 HG21 VAL 33 3HG2 VAL 33 -2.625 9.212 -2.454 233 HG22 VAL 33 1HG2 VAL 33 -1.660 8.086 -3.410 234 HG23 VAL 33 2HG2 VAL 33 -2.695 7.482 -2.116 235 H LEU 34 H LEU 34 1.065 6.581 0.208 236 HA LEU 34 HA LEU 34 2.715 8.558 1.308 237 HB2 LEU 34 1HB LEU 34 2.732 5.577 1.751 238 HB3 LEU 34 2HB LEU 34 3.572 6.751 2.762 239 HG LEU 34 HG LEU 34 0.584 6.751 2.380 240 HD11 LEU 34 1HD1 LEU 34 1.599 4.621 3.405 241 HD12 LEU 34 2HD1 LEU 34 0.305 5.440 4.279 242 HD13 LEU 34 3HD1 LEU 34 1.980 5.646 4.789 243 HD21 LEU 34 3HD2 LEU 34 0.818 7.948 4.643 244 HD22 LEU 34 1HD2 LEU 34 1.237 8.840 3.180 245 HD23 LEU 34 2HD2 LEU 34 2.511 8.162 4.194 246 H HIS 35 H HIS 35 3.623 5.555 -0.385 247 HA HIS 35 HA HIS 35 6.300 5.597 -0.380 248 HB2 HIS 35 1HB HIS 35 4.437 5.063 -2.684 249 HB3 HIS 35 2HB HIS 35 6.179 4.861 -2.846 250 HD1 HIS 35 HD1 HIS 35 6.968 3.423 -0.358 251 HD2 HIS 35 HD2 HIS 35 3.439 2.576 -2.380 252 HE1 HIS 35 HE1 HIS 35 6.346 1.085 0.327 253 H MET 36 H MET 36 4.363 7.522 -2.672 254 HA MET 36 HA MET 36 6.291 8.802 -4.087 255 HB2 MET 36 1HB MET 36 3.734 9.947 -2.965 256 HB3 MET 36 2HB MET 36 4.736 10.792 -4.137 257 HG2 MET 36 1HG MET 36 4.458 8.521 -5.463 258 HG3 MET 36 2HG MET 36 2.997 8.419 -4.482 259 HE1 MET 36 3HE MET 36 1.727 11.834 -4.742 260 HE2 MET 36 1HE MET 36 0.618 10.724 -5.548 261 HE3 MET 36 2HE MET 36 1.498 10.202 -4.112 262 H GLY 37 H GLY 37 8.054 9.900 -3.549 263 HA2 GLY 37 1HA GLY 37 7.943 11.892 -1.435 264 HA3 GLY 37 2HA GLY 37 9.037 10.547 -1.148 265 H GLN 38 H GLN 38 11.046 11.240 -1.458 266 HA GLN 38 HA GLN 38 11.602 12.816 -3.884 267 HB2 GLN 38 1HB GLN 38 11.831 14.026 -1.645 268 HB3 GLN 38 2HB GLN 38 13.217 12.985 -1.346 269 HG2 GLN 38 1HG GLN 38 13.718 15.271 -2.267 270 HG3 GLN 38 2HG GLN 38 14.431 13.911 -3.132 271 HE21 GLN 38 1HE2 GLN 38 14.631 14.904 -5.085 272 HE22 GLN 38 2HE2 GLN 38 13.286 15.395 -6.051 273 H LYS 39 H LYS 39 12.818 11.771 -5.300 274 HA LYS 39 HA LYS 39 14.235 9.370 -4.537 275 HB2 LYS 39 1HB LYS 39 13.673 10.753 -7.144 276 HB3 LYS 39 2HB LYS 39 14.859 9.457 -7.057 277 HG2 LYS 39 1HG LYS 39 12.045 9.118 -6.070 278 HG3 LYS 39 2HG LYS 39 12.505 8.824 -7.749 279 HD2 LYS 39 1HD LYS 39 14.069 7.531 -5.560 280 HD3 LYS 39 2HD LYS 39 12.494 6.867 -6.002 281 HE2 LYS 39 1HE LYS 39 14.455 7.471 -8.162 282 HE3 LYS 39 2HE LYS 39 14.707 6.037 -7.167 283 HZ1 LYS 39 3HZ LYS 39 12.285 5.517 -7.719 284 HZ2 LYS 39 1HZ LYS 39 13.434 5.288 -8.940 285 HZ3 LYS 39 2HZ LYS 39 12.444 6.659 -8.958 286 H ASN 40 H ASN 40 15.312 11.581 -3.258 287 HA ASN 40 HA ASN 40 17.932 11.813 -4.586 288 HB2 ASN 40 1HB ASN 40 16.357 13.929 -4.331 289 HB3 ASN 40 2HB ASN 40 17.014 13.937 -2.697 290 HD21 ASN 40 1HD2 ASN 40 19.337 14.028 -2.470 291 HD22 ASN 40 2HD2 ASN 40 20.274 14.843 -3.671 292 H SER 41 H SER 41 16.275 12.018 -1.441 293 HA SER 41 HA SER 41 18.535 10.578 -0.244 294 HB2 SER 41 1HB SER 41 18.459 12.055 1.732 295 HB3 SER 41 2HB SER 41 18.872 12.951 0.271 296 HG SER 41 HG SER 41 17.222 14.159 0.700 297 H GLY 42 H GLY 42 18.012 9.201 1.441 298 HA2 GLY 42 1HA GLY 42 16.053 8.907 3.148 299 HA3 GLY 42 2HA GLY 42 15.149 8.607 1.670 300 HA PRO 43 HA PRO 43 18.363 5.008 2.319 301 HB2 PRO 43 1HB PRO 43 19.156 4.675 4.894 302 HB3 PRO 43 2HB PRO 43 20.044 5.673 3.737 303 HG2 PRO 43 1HG PRO 43 18.104 6.506 5.859 304 HG3 PRO 43 2HG PRO 43 19.654 7.242 5.408 305 HD2 PRO 43 1HD PRO 43 17.274 8.241 4.590 306 HD3 PRO 43 2HD PRO 43 18.746 8.351 3.603 307 H SER 44 H SER 44 17.742 2.911 2.782 308 HA SER 44 HA SER 44 16.322 1.221 3.334 309 HB2 SER 44 1HB SER 44 17.189 2.016 5.646 310 HB3 SER 44 2HB SER 44 15.585 2.726 5.834 311 HG SER 44 HG SER 44 15.566 0.651 6.679 312 H SER 45 H SER 45 15.283 3.250 1.683 313 HA SER 45 HA SER 45 13.340 4.256 0.978 314 HB2 SER 45 1HB SER 45 11.572 2.681 0.615 315 HB3 SER 45 2HB SER 45 13.087 1.785 0.498 316 HG SER 45 HG SER 45 12.566 1.530 2.949 317 H GLY 46 H GLY 46 13.969 5.143 3.537 318 HA2 GLY 46 1HA GLY 46 12.899 6.501 5.083 319 HA3 GLY 46 2HA GLY 46 11.356 5.959 4.442
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