NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
505198 | 2eox | 10208 | 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 -39.503 -8.038 14.497 2 HA2 GLY 1 1HA GLY 1 -39.160 -6.751 11.858 3 HA3 GLY 1 2HA GLY 1 -38.095 -6.455 13.225 4 H SER 2 H SER 2 -36.457 -7.876 13.681 5 HA SER 2 HA SER 2 -34.914 -9.511 13.327 6 HB2 SER 2 1HB SER 2 -36.852 -11.034 13.649 7 HB3 SER 2 2HB SER 2 -37.156 -10.975 11.913 8 HG SER 2 HG SER 2 -34.780 -11.911 13.156 9 H SER 3 H SER 3 -34.959 -7.364 11.564 10 HA SER 3 HA SER 3 -34.967 -8.018 8.845 11 HB2 SER 3 1HB SER 3 -34.877 -5.697 9.906 12 HB3 SER 3 2HB SER 3 -33.141 -5.956 10.082 13 HG SER 3 HG SER 3 -34.636 -5.939 7.670 14 H GLY 4 H GLY 4 -32.299 -8.001 11.194 15 HA2 GLY 4 1HA GLY 4 -30.875 -10.124 10.692 16 HA3 GLY 4 2HA GLY 4 -30.565 -9.266 9.190 17 H SER 5 H SER 5 -28.349 -9.125 9.598 18 HA SER 5 HA SER 5 -27.626 -6.952 11.398 19 HB2 SER 5 1HB SER 5 -27.376 -9.258 12.560 20 HB3 SER 5 2HB SER 5 -25.988 -9.474 11.494 21 HG SER 5 HG SER 5 -26.282 -7.864 13.701 22 H SER 6 H SER 6 -25.434 -6.146 11.005 23 HA SER 6 HA SER 6 -24.410 -6.841 8.335 24 HB2 SER 6 1HB SER 6 -24.127 -4.538 7.758 25 HB3 SER 6 2HB SER 6 -25.779 -4.709 8.350 26 HG SER 6 HG SER 6 -23.732 -3.223 9.341 27 H GLY 7 H GLY 7 -22.159 -6.286 7.980 28 HA2 GLY 7 1HA GLY 7 -20.185 -5.258 9.266 29 HA3 GLY 7 2HA GLY 7 -20.633 -6.431 10.495 30 H THR 8 H THR 8 -19.044 -5.911 7.482 31 HA THR 8 HA THR 8 -18.247 -8.750 7.432 32 HB THR 8 HB THR 8 -19.603 -8.128 5.461 33 HG1 THR 8 HG1 THR 8 -17.773 -8.669 3.901 34 HG21 THR 8 3HG2 THR 8 -18.063 -6.667 3.805 35 HG22 THR 8 1HG2 THR 8 -17.627 -5.933 5.347 36 HG23 THR 8 2HG2 THR 8 -19.314 -5.969 4.833 37 H ASP 9 H ASP 9 -16.079 -9.192 6.681 38 HA ASP 9 HA ASP 9 -14.218 -6.940 6.727 39 HB2 ASP 9 1HB ASP 9 -14.300 -7.685 9.048 40 HB3 ASP 9 2HB ASP 9 -13.987 -9.345 8.548 41 H SER 10 H SER 10 -13.248 -7.133 4.817 42 HA SER 10 HA SER 10 -12.271 -9.798 4.022 43 HB2 SER 10 1HB SER 10 -12.721 -9.313 1.732 44 HB3 SER 10 2HB SER 10 -14.177 -8.866 2.621 45 HG SER 10 HG SER 10 -13.919 -6.907 1.934 46 H LYS 11 H LYS 11 -10.138 -9.877 4.167 47 HA LYS 11 HA LYS 11 -8.367 -7.875 4.644 48 HB2 LYS 11 1HB LYS 11 -6.606 -9.333 3.770 49 HB3 LYS 11 2HB LYS 11 -7.769 -10.248 4.720 50 HG2 LYS 11 1HG LYS 11 -8.869 -10.921 2.584 51 HG3 LYS 11 2HG LYS 11 -7.534 -10.152 1.723 52 HD2 LYS 11 1HD LYS 11 -5.963 -11.637 2.951 53 HD3 LYS 11 2HD LYS 11 -7.355 -12.462 3.656 54 HE2 LYS 11 1HE LYS 11 -8.063 -13.266 1.548 55 HE3 LYS 11 2HE LYS 11 -6.967 -12.187 0.686 56 HZ1 LYS 11 3HZ LYS 11 -5.930 -14.250 2.525 57 HZ2 LYS 11 1HZ LYS 11 -5.134 -13.467 1.254 58 HZ3 LYS 11 2HZ LYS 11 -6.316 -14.631 0.923 59 H SER 12 H SER 12 -7.660 -6.147 3.588 60 HA SER 12 HA SER 12 -7.054 -6.133 0.813 61 HB2 SER 12 1HB SER 12 -9.701 -5.087 1.693 62 HB3 SER 12 2HB SER 12 -8.817 -4.151 0.487 63 HG SER 12 HG SER 12 -9.688 -5.539 -0.838 64 H TYR 13 H TYR 13 -5.231 -5.009 0.929 65 HA TYR 13 HA TYR 13 -5.005 -2.774 2.791 66 HB2 TYR 13 1HB TYR 13 -2.832 -3.858 1.003 67 HB3 TYR 13 2HB TYR 13 -2.652 -2.909 2.474 68 HD1 TYR 13 HD1 TYR 13 -3.366 -6.239 1.109 69 HD2 TYR 13 HD2 TYR 13 -2.821 -3.947 4.653 70 HE1 TYR 13 HE1 TYR 13 -3.155 -8.315 2.412 71 HE2 TYR 13 HE2 TYR 13 -2.607 -6.016 5.965 72 HH TYR 13 HH TYR 13 -3.312 -8.397 5.776 73 H ASN 14 H ASN 14 -5.456 -0.789 2.136 74 HA ASN 14 HA ASN 14 -4.836 -0.042 -0.643 75 HB2 ASN 14 1HB ASN 14 -6.901 1.568 -0.266 76 HB3 ASN 14 2HB ASN 14 -7.133 -0.088 -0.820 77 HD21 ASN 14 1HD2 ASN 14 -8.457 -1.341 0.294 78 HD22 ASN 14 2HD2 ASN 14 -9.065 -1.008 1.876 79 H CYS 15 H CYS 15 -3.825 1.875 -0.922 80 HA CYS 15 HA CYS 15 -2.656 3.146 1.337 81 HB2 CYS 15 1HB CYS 15 -1.602 2.961 -0.938 82 HB3 CYS 15 2HB CYS 15 -2.744 4.176 -1.504 83 H ASN 16 H ASN 16 -3.800 4.378 2.678 84 HA ASN 16 HA ASN 16 -6.098 5.873 1.769 85 HB2 ASN 16 1HB ASN 16 -6.650 6.123 3.991 86 HB3 ASN 16 2HB ASN 16 -5.667 4.665 4.084 87 HD21 ASN 16 1HD2 ASN 16 -6.258 7.393 5.639 88 HD22 ASN 16 2HD2 ASN 16 -4.709 7.722 6.331 89 H GLU 17 H GLU 17 -3.130 6.489 1.099 90 HA GLU 17 HA GLU 17 -3.048 9.273 2.016 91 HB2 GLU 17 1HB GLU 17 -0.918 7.685 0.574 92 HB3 GLU 17 2HB GLU 17 -0.729 9.283 1.282 93 HG2 GLU 17 1HG GLU 17 -1.447 6.847 2.886 94 HG3 GLU 17 2HG GLU 17 0.212 7.376 2.612 95 H CYS 18 H CYS 18 -3.062 7.302 -0.911 96 HA CYS 18 HA CYS 18 -3.601 9.745 -2.470 97 HB2 CYS 18 1HB CYS 18 -2.673 8.499 -4.429 98 HB3 CYS 18 2HB CYS 18 -1.489 8.820 -3.165 99 H GLY 19 H GLY 19 -4.252 6.252 -2.281 100 HA2 GLY 19 1HA GLY 19 -6.681 5.686 -2.235 101 HA3 GLY 19 2HA GLY 19 -6.843 6.779 -3.602 102 H LYS 20 H LYS 20 -4.738 4.035 -2.722 103 HA LYS 20 HA LYS 20 -5.465 2.776 -5.276 104 HB2 LYS 20 1HB LYS 20 -3.202 3.942 -5.339 105 HB3 LYS 20 2HB LYS 20 -2.657 2.740 -4.177 106 HG2 LYS 20 1HG LYS 20 -2.890 0.986 -5.713 107 HG3 LYS 20 2HG LYS 20 -3.876 1.962 -6.804 108 HD2 LYS 20 1HD LYS 20 -1.098 2.849 -6.182 109 HD3 LYS 20 2HD LYS 20 -1.335 1.513 -7.312 110 HE2 LYS 20 1HE LYS 20 -2.751 2.906 -8.702 111 HE3 LYS 20 2HE LYS 20 -2.624 4.231 -7.546 112 HZ1 LYS 20 3HZ LYS 20 -0.637 4.823 -8.337 113 HZ2 LYS 20 1HZ LYS 20 -1.032 3.894 -9.694 114 HZ3 LYS 20 2HZ LYS 20 -0.084 3.229 -8.462 115 H ALA 21 H ALA 21 -6.168 0.766 -5.014 116 HA ALA 21 HA ALA 21 -5.722 -0.564 -2.448 117 HB1 ALA 21 3HB ALA 21 -7.428 -2.059 -4.186 118 HB2 ALA 21 1HB ALA 21 -7.817 -1.256 -2.665 119 HB3 ALA 21 2HB ALA 21 -7.931 -0.369 -4.185 120 H PHE 22 H PHE 22 -4.491 -2.331 -2.210 121 HA PHE 22 HA PHE 22 -3.388 -3.567 -4.647 122 HB2 PHE 22 1HB PHE 22 -2.061 -3.296 -1.941 123 HB3 PHE 22 2HB PHE 22 -1.354 -4.049 -3.367 124 HD1 PHE 22 HD1 PHE 22 -2.313 -0.886 -1.797 125 HD2 PHE 22 HD2 PHE 22 -0.506 -2.722 -5.185 126 HE1 PHE 22 HE1 PHE 22 -1.404 1.293 -2.489 127 HE2 PHE 22 HE2 PHE 22 0.407 -0.547 -5.881 128 HZ PHE 22 HZ PHE 22 -0.040 1.465 -4.533 129 H THR 23 H THR 23 -2.526 -5.842 -4.185 130 HA THR 23 HA THR 23 -4.695 -7.348 -2.965 131 HB THR 23 HB THR 23 -2.316 -8.265 -4.590 132 HG1 THR 23 HG1 THR 23 -4.374 -7.077 -5.446 133 HG21 THR 23 3HG2 THR 23 -3.293 -9.899 -2.859 134 HG22 THR 23 1HG2 THR 23 -3.147 -10.454 -4.526 135 HG23 THR 23 2HG2 THR 23 -4.714 -9.938 -3.902 136 H ARG 24 H ARG 24 -1.142 -7.216 -2.749 137 HA ARG 24 HA ARG 24 -1.276 -8.694 -0.221 138 HB2 ARG 24 1HB ARG 24 1.092 -7.982 -1.963 139 HB3 ARG 24 2HB ARG 24 1.179 -8.908 -0.471 140 HG2 ARG 24 1HG ARG 24 1.147 -10.616 -1.962 141 HG3 ARG 24 2HG ARG 24 -0.591 -10.416 -1.730 142 HD2 ARG 24 1HD ARG 24 -0.883 -9.401 -3.779 143 HD3 ARG 24 2HD ARG 24 0.791 -8.852 -3.861 144 HE ARG 24 HE ARG 24 0.556 -11.702 -3.950 145 HH11 ARG 24 1HH1 ARG 24 0.385 -8.789 -5.848 146 HH12 ARG 24 2HH1 ARG 24 0.779 -9.580 -7.338 147 HH21 ARG 24 1HH2 ARG 24 1.076 -12.756 -5.905 148 HH22 ARG 24 2HH2 ARG 24 1.171 -11.837 -7.369 149 H ILE 25 H ILE 25 0.760 -7.911 1.229 150 HA ILE 25 HA ILE 25 0.142 -5.115 1.848 151 HB ILE 25 HB ILE 25 -0.162 -6.668 3.688 152 HG12 ILE 25 1HG1 ILE 25 1.421 -5.615 5.341 153 HG13 ILE 25 2HG1 ILE 25 2.236 -4.851 3.980 154 HG21 ILE 25 1HG2 ILE 25 1.137 -8.467 3.799 155 HG22 ILE 25 2HG2 ILE 25 2.322 -7.751 2.708 156 HG23 ILE 25 3HG2 ILE 25 2.411 -7.429 4.439 157 HD11 ILE 25 3HD1 ILE 25 -0.587 -4.409 4.906 158 HD12 ILE 25 1HD1 ILE 25 0.753 -3.263 4.932 159 HD13 ILE 25 2HD1 ILE 25 0.061 -3.778 3.393 160 H PHE 26 H PHE 26 2.700 -7.175 0.763 161 HA PHE 26 HA PHE 26 4.844 -5.381 1.385 162 HB2 PHE 26 1HB PHE 26 6.259 -6.940 0.378 163 HB3 PHE 26 2HB PHE 26 4.939 -7.942 0.974 164 HD1 PHE 26 HD2 PHE 26 6.314 -6.312 -2.045 165 HD2 PHE 26 HD1 PHE 26 3.635 -9.232 -0.492 166 HE1 PHE 26 HE2 PHE 26 5.969 -7.198 -4.315 167 HE2 PHE 26 HE1 PHE 26 3.286 -10.123 -2.758 168 HZ PHE 26 HZ PHE 26 4.453 -9.105 -4.674 169 H HIS 27 H HIS 27 2.581 -5.719 -1.198 170 HA HIS 27 HA HIS 27 4.094 -4.298 -3.168 171 HB2 HIS 27 1HB HIS 27 2.135 -5.932 -3.543 172 HB3 HIS 27 2HB HIS 27 1.095 -4.562 -3.165 173 HD2 HIS 27 HD2 HIS 27 4.249 -3.921 -5.355 174 HE1 HIS 27 HE1 HIS 27 0.821 -3.709 -7.846 175 HE2 HIS 27 HE2 HIS 27 3.321 -3.424 -7.718 176 H LEU 28 H LEU 28 1.711 -3.439 -0.734 177 HA LEU 28 HA LEU 28 1.391 -0.742 -1.652 178 HB2 LEU 28 1HB LEU 28 -0.454 -1.537 -0.496 179 HB3 LEU 28 2HB LEU 28 0.531 -2.283 0.760 180 HG LEU 28 HG LEU 28 1.048 -0.028 1.640 181 HD11 LEU 28 1HD1 LEU 28 -0.166 1.898 0.864 182 HD12 LEU 28 2HD1 LEU 28 -1.028 0.924 -0.327 183 HD13 LEU 28 3HD1 LEU 28 0.708 1.183 -0.491 184 HD21 LEU 28 3HD2 LEU 28 -1.565 0.426 2.127 185 HD22 LEU 28 1HD2 LEU 28 -0.617 -0.824 2.933 186 HD23 LEU 28 2HD2 LEU 28 -1.635 -1.242 1.555 187 H THR 29 H THR 29 3.267 -2.350 0.870 188 HA THR 29 HA THR 29 4.255 -0.059 2.151 189 HB THR 29 HB THR 29 5.652 -2.726 1.857 190 HG1 THR 29 HG1 THR 29 4.063 -1.906 4.054 191 HG21 THR 29 3HG2 THR 29 6.864 -0.587 2.759 192 HG22 THR 29 1HG2 THR 29 7.031 -2.123 3.609 193 HG23 THR 29 2HG2 THR 29 5.910 -0.900 4.209 194 H ARG 30 H ARG 30 5.316 -1.766 -0.727 195 HA ARG 30 HA ARG 30 7.775 -0.289 -0.958 196 HB2 ARG 30 1HB ARG 30 8.148 -1.510 -2.959 197 HB3 ARG 30 2HB ARG 30 7.394 -2.631 -1.833 198 HG2 ARG 30 1HG ARG 30 5.462 -2.762 -3.034 199 HG3 ARG 30 2HG ARG 30 5.636 -1.136 -3.698 200 HD2 ARG 30 1HD ARG 30 7.268 -3.548 -4.482 201 HD3 ARG 30 2HD ARG 30 5.942 -2.855 -5.415 202 HE ARG 30 HE ARG 30 8.065 -1.001 -4.823 203 HH11 ARG 30 1HH1 ARG 30 6.886 -3.419 -7.034 204 HH12 ARG 30 2HH1 ARG 30 7.798 -2.820 -8.379 205 HH21 ARG 30 1HH2 ARG 30 9.271 -0.204 -6.588 206 HH22 ARG 30 2HH2 ARG 30 9.155 -0.992 -8.124 207 H HIS 31 H HIS 31 4.631 0.562 -1.396 208 HA HIS 31 HA HIS 31 5.119 2.275 -3.718 209 HB2 HIS 31 1HB HIS 31 3.046 1.274 -4.001 210 HB3 HIS 31 2HB HIS 31 2.665 1.337 -2.283 211 HD1 HIS 31 HD1 HIS 31 3.001 3.709 -5.231 212 HD2 HIS 31 HD2 HIS 31 1.031 3.391 -1.587 213 HE1 HIS 31 HE1 HIS 31 1.442 5.680 -5.135 214 H GLN 32 H GLN 32 4.502 2.413 -0.273 215 HA GLN 32 HA GLN 32 3.967 5.162 -0.049 216 HB2 GLN 32 1HB GLN 32 5.271 3.320 1.962 217 HB3 GLN 32 2HB GLN 32 4.582 4.897 2.319 218 HG2 GLN 32 1HG GLN 32 2.853 2.857 1.025 219 HG3 GLN 32 2HG GLN 32 3.239 2.679 2.736 220 HE21 GLN 32 1HE2 GLN 32 0.771 2.929 2.601 221 HE22 GLN 32 2HE2 GLN 32 0.172 4.533 2.827 222 H LYS 33 H LYS 33 6.749 3.635 -1.061 223 HA LYS 33 HA LYS 33 8.792 5.161 0.112 224 HB2 LYS 33 1HB LYS 33 8.682 3.859 -2.614 225 HB3 LYS 33 2HB LYS 33 10.142 4.485 -1.861 226 HG2 LYS 33 1HG LYS 33 9.538 2.877 0.076 227 HG3 LYS 33 2HG LYS 33 8.518 2.088 -1.130 228 HD2 LYS 33 1HD LYS 33 10.393 1.649 -2.538 229 HD3 LYS 33 2HD LYS 33 11.446 2.665 -1.550 230 HE2 LYS 33 1HE LYS 33 10.063 0.273 -0.385 231 HE3 LYS 33 2HE LYS 33 11.575 0.102 -1.276 232 HZ1 LYS 33 3HZ LYS 33 11.559 0.480 1.300 233 HZ2 LYS 33 1HZ LYS 33 11.440 2.108 0.854 234 HZ3 LYS 33 2HZ LYS 33 12.753 1.181 0.328 235 H ILE 34 H ILE 34 6.704 5.769 -2.646 236 HA ILE 34 HA ILE 34 8.134 8.110 -3.500 237 HB ILE 34 HB ILE 34 6.344 8.450 -5.079 238 HG12 ILE 34 1HG1 ILE 34 4.808 6.099 -4.069 239 HG13 ILE 34 2HG1 ILE 34 4.622 7.635 -3.230 240 HG21 ILE 34 1HG2 ILE 34 7.389 6.883 -6.256 241 HG22 ILE 34 2HG2 ILE 34 7.762 5.965 -4.798 242 HG23 ILE 34 3HG2 ILE 34 6.227 5.713 -5.630 243 HD11 ILE 34 3HD1 ILE 34 3.443 6.750 -5.676 244 HD12 ILE 34 1HD1 ILE 34 3.121 8.211 -4.742 245 HD13 ILE 34 2HD1 ILE 34 4.394 8.207 -5.963 246 H HIS 35 H HIS 35 5.610 7.411 -1.244 247 HA HIS 35 HA HIS 35 4.479 10.020 -1.114 248 HB2 HIS 35 1HB HIS 35 4.330 7.547 0.554 249 HB3 HIS 35 2HB HIS 35 3.773 9.066 1.251 250 HD1 HIS 35 HD1 HIS 35 2.266 10.341 -1.004 251 HD2 HIS 35 HD2 HIS 35 2.080 6.266 -0.214 252 HE1 HIS 35 HE1 HIS 35 0.109 9.555 -2.030 253 H THR 36 H THR 36 6.629 8.278 1.139 254 HA THR 36 HA THR 36 7.157 10.482 2.796 255 HB THR 36 HB THR 36 7.633 8.255 3.588 256 HG1 THR 36 HG1 THR 36 9.727 8.646 4.397 257 HG21 THR 36 3HG2 THR 36 8.266 6.917 1.831 258 HG22 THR 36 1HG2 THR 36 9.837 7.216 2.574 259 HG23 THR 36 2HG2 THR 36 9.345 8.134 1.151 260 H ARG 37 H ARG 37 8.743 12.019 2.818 261 HA ARG 37 HA ARG 37 10.574 12.088 0.513 262 HB2 ARG 37 1HB ARG 37 10.279 14.509 0.375 263 HB3 ARG 37 2HB ARG 37 8.742 13.681 0.162 264 HG2 ARG 37 1HG ARG 37 8.578 14.099 2.772 265 HG3 ARG 37 2HG ARG 37 9.671 15.425 2.368 266 HD2 ARG 37 1HD ARG 37 7.652 16.465 2.089 267 HD3 ARG 37 2HD ARG 37 7.915 15.852 0.458 268 HE ARG 37 HE ARG 37 6.487 13.980 2.051 269 HH11 ARG 37 1HH1 ARG 37 6.134 16.944 0.259 270 HH12 ARG 37 2HH1 ARG 37 4.450 16.699 -0.067 271 HH21 ARG 37 1HH2 ARG 37 4.271 13.646 1.629 272 HH22 ARG 37 2HH2 ARG 37 3.391 14.823 0.713 273 H LYS 38 H LYS 38 12.164 14.119 1.021 274 HA LYS 38 HA LYS 38 13.166 13.719 3.762 275 HB2 LYS 38 1HB LYS 38 15.481 14.063 2.666 276 HB3 LYS 38 2HB LYS 38 14.703 12.494 2.506 277 HG2 LYS 38 1HG LYS 38 14.240 14.512 0.377 278 HG3 LYS 38 2HG LYS 38 15.810 13.709 0.450 279 HD2 LYS 38 1HD LYS 38 14.847 11.578 0.150 280 HD3 LYS 38 2HD LYS 38 13.222 12.177 0.494 281 HE2 LYS 38 1HE LYS 38 13.665 13.688 -1.596 282 HE3 LYS 38 2HE LYS 38 14.875 12.464 -1.978 283 HZ1 LYS 38 3HZ LYS 38 12.865 11.851 -3.046 284 HZ2 LYS 38 1HZ LYS 38 11.957 12.061 -1.634 285 HZ3 LYS 38 2HZ LYS 38 13.065 10.788 -1.745 286 H SER 39 H SER 39 14.503 15.471 4.584 287 HA SER 39 HA SER 39 13.909 18.056 3.300 288 HB2 SER 39 1HB SER 39 13.780 17.302 6.220 289 HB3 SER 39 2HB SER 39 13.876 18.979 5.681 290 HG SER 39 HG SER 39 11.869 17.109 4.945 291 H GLY 40 H GLY 40 15.502 19.628 3.357 292 HA2 GLY 40 1HA GLY 40 17.856 19.516 4.889 293 HA3 GLY 40 2HA GLY 40 18.169 18.755 3.336 294 HA PRO 41 HA PRO 41 18.954 22.661 1.519 295 HB2 PRO 41 1HB PRO 41 17.975 22.329 -0.991 296 HB3 PRO 41 2HB PRO 41 19.454 21.543 -0.425 297 HG2 PRO 41 1HG PRO 41 16.685 20.429 -0.651 298 HG3 PRO 41 2HG PRO 41 18.232 19.678 -1.085 299 HD2 PRO 41 1HD PRO 41 16.932 19.108 1.221 300 HD3 PRO 41 2HD PRO 41 18.703 19.093 1.094 301 H SER 42 H SER 42 18.030 24.634 1.397 302 HA SER 42 HA SER 42 15.317 24.978 2.100 303 HB2 SER 42 1HB SER 42 16.923 26.666 2.717 304 HB3 SER 42 2HB SER 42 17.362 26.935 1.031 305 HG SER 42 HG SER 42 15.799 28.319 0.946 306 H SER 43 H SER 43 16.989 25.889 -0.919 307 HA SER 43 HA SER 43 15.027 26.766 -2.494 308 HB2 SER 43 1HB SER 43 17.025 24.650 -3.333 309 HB3 SER 43 2HB SER 43 16.128 25.702 -4.429 310 HG SER 43 HG SER 43 17.146 27.471 -3.168 311 H GLY 44 H GLY 44 15.707 23.265 -2.264 312 HA2 GLY 44 1HA GLY 44 14.314 21.447 -2.426 313 HA3 GLY 44 2HA GLY 44 13.003 22.520 -1.961 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -25.006 -27.595 13.645 2 HA2 GLY 1 1HA GLY 1 -27.241 -25.813 14.370 3 HA3 GLY 1 2HA GLY 1 -25.773 -26.022 15.314 4 H SER 2 H SER 2 -27.276 -23.759 13.723 5 HA SER 2 HA SER 2 -25.270 -22.815 11.904 6 HB2 SER 2 1HB SER 2 -26.679 -20.804 11.737 7 HB3 SER 2 2HB SER 2 -27.644 -22.270 11.572 8 HG SER 2 HG SER 2 -28.682 -21.769 13.331 9 H SER 3 H SER 3 -23.374 -22.700 13.143 10 HA SER 3 HA SER 3 -23.216 -21.184 15.556 11 HB2 SER 3 1HB SER 3 -20.732 -21.423 15.210 12 HB3 SER 3 2HB SER 3 -21.618 -22.947 15.218 13 HG SER 3 HG SER 3 -20.951 -23.282 13.264 14 H GLY 4 H GLY 4 -22.231 -20.571 12.194 15 HA2 GLY 4 1HA GLY 4 -22.869 -17.849 12.234 16 HA3 GLY 4 2HA GLY 4 -21.167 -17.998 12.645 17 H SER 5 H SER 5 -19.693 -18.456 11.070 18 HA SER 5 HA SER 5 -18.906 -18.210 8.920 19 HB2 SER 5 1HB SER 5 -19.293 -20.178 7.594 20 HB3 SER 5 2HB SER 5 -19.269 -20.675 9.286 21 HG SER 5 HG SER 5 -21.725 -20.193 8.944 22 H SER 6 H SER 6 -20.936 -16.370 9.340 23 HA SER 6 HA SER 6 -22.586 -16.489 6.917 24 HB2 SER 6 1HB SER 6 -22.773 -14.804 9.417 25 HB3 SER 6 2HB SER 6 -23.762 -14.508 7.988 26 HG SER 6 HG SER 6 -25.035 -15.961 8.799 27 H GLY 7 H GLY 7 -20.593 -14.136 8.716 28 HA2 GLY 7 1HA GLY 7 -20.417 -12.392 6.424 29 HA3 GLY 7 2HA GLY 7 -19.620 -12.166 7.974 30 H THR 8 H THR 8 -19.029 -12.589 4.810 31 HA THR 8 HA THR 8 -17.063 -14.555 4.628 32 HB THR 8 HB THR 8 -18.020 -13.425 2.661 33 HG1 THR 8 HG1 THR 8 -15.227 -12.946 2.651 34 HG21 THR 8 3HG2 THR 8 -16.920 -11.200 2.036 35 HG22 THR 8 1HG2 THR 8 -16.481 -11.077 3.739 36 HG23 THR 8 2HG2 THR 8 -18.179 -11.159 3.270 37 H ASP 9 H ASP 9 -14.872 -14.595 4.941 38 HA ASP 9 HA ASP 9 -13.785 -12.410 6.573 39 HB2 ASP 9 1HB ASP 9 -13.251 -15.341 6.402 40 HB3 ASP 9 2HB ASP 9 -11.932 -14.283 6.895 41 H SER 10 H SER 10 -12.911 -10.936 5.229 42 HA SER 10 HA SER 10 -10.617 -11.761 3.647 43 HB2 SER 10 1HB SER 10 -13.123 -10.601 2.477 44 HB3 SER 10 2HB SER 10 -11.564 -10.223 1.746 45 HG SER 10 HG SER 10 -12.346 -12.881 2.295 46 H LYS 11 H LYS 11 -9.357 -9.889 2.866 47 HA LYS 11 HA LYS 11 -9.858 -7.424 4.380 48 HB2 LYS 11 1HB LYS 11 -7.600 -7.296 5.155 49 HB3 LYS 11 2HB LYS 11 -8.216 -8.885 5.593 50 HG2 LYS 11 1HG LYS 11 -6.740 -8.595 3.029 51 HG3 LYS 11 2HG LYS 11 -5.829 -8.581 4.541 52 HD2 LYS 11 1HD LYS 11 -6.491 -10.750 5.098 53 HD3 LYS 11 2HD LYS 11 -7.853 -10.721 3.974 54 HE2 LYS 11 1HE LYS 11 -6.062 -10.513 2.140 55 HE3 LYS 11 2HE LYS 11 -4.927 -11.034 3.384 56 HZ1 LYS 11 3HZ LYS 11 -7.371 -12.599 2.921 57 HZ2 LYS 11 1HZ LYS 11 -5.864 -13.107 3.500 58 HZ3 LYS 11 2HZ LYS 11 -6.068 -12.770 1.855 59 H SER 12 H SER 12 -8.604 -5.572 3.576 60 HA SER 12 HA SER 12 -7.494 -5.822 0.901 61 HB2 SER 12 1HB SER 12 -8.977 -4.170 -0.091 62 HB3 SER 12 2HB SER 12 -9.936 -5.505 0.548 63 HG SER 12 HG SER 12 -9.562 -2.929 1.660 64 H TYR 13 H TYR 13 -5.870 -4.423 0.576 65 HA TYR 13 HA TYR 13 -5.438 -2.359 2.624 66 HB2 TYR 13 1HB TYR 13 -3.410 -3.538 0.717 67 HB3 TYR 13 2HB TYR 13 -3.084 -2.486 2.090 68 HD1 TYR 13 HD1 TYR 13 -4.253 -5.865 1.131 69 HD2 TYR 13 HD2 TYR 13 -2.833 -3.370 4.271 70 HE1 TYR 13 HE1 TYR 13 -3.984 -7.841 2.571 71 HE2 TYR 13 HE2 TYR 13 -2.559 -5.339 5.720 72 HH TYR 13 HH TYR 13 -2.395 -7.654 5.669 73 H ASN 14 H ASN 14 -5.244 -0.251 2.093 74 HA ASN 14 HA ASN 14 -5.002 0.510 -0.717 75 HB2 ASN 14 1HB ASN 14 -7.166 1.683 1.034 76 HB3 ASN 14 2HB ASN 14 -6.917 1.949 -0.689 77 HD21 ASN 14 1HD2 ASN 14 -9.116 0.766 1.082 78 HD22 ASN 14 2HD2 ASN 14 -9.542 -0.696 0.267 79 H CYS 15 H CYS 15 -3.678 2.194 -0.984 80 HA CYS 15 HA CYS 15 -2.355 3.357 1.246 81 HB2 CYS 15 1HB CYS 15 -1.378 2.971 -1.064 82 HB3 CYS 15 2HB CYS 15 -2.297 4.376 -1.595 83 H ASN 16 H ASN 16 -4.473 4.075 2.236 84 HA ASN 16 HA ASN 16 -6.209 5.949 1.442 85 HB2 ASN 16 1HB ASN 16 -4.751 5.974 4.095 86 HB3 ASN 16 2HB ASN 16 -6.257 6.825 3.761 87 HD21 ASN 16 1HD2 ASN 16 -7.377 5.696 5.331 88 HD22 ASN 16 2HD2 ASN 16 -7.818 4.036 5.141 89 H GLU 17 H GLU 17 -2.818 6.507 2.099 90 HA GLU 17 HA GLU 17 -2.706 9.251 2.307 91 HB2 GLU 17 1HB GLU 17 -0.666 8.190 2.616 92 HB3 GLU 17 2HB GLU 17 -0.839 7.210 1.166 93 HG2 GLU 17 1HG GLU 17 -0.039 8.838 -0.205 94 HG3 GLU 17 2HG GLU 17 -0.610 10.146 0.829 95 H CYS 18 H CYS 18 -2.629 7.320 -0.682 96 HA CYS 18 HA CYS 18 -3.311 9.766 -2.176 97 HB2 CYS 18 1HB CYS 18 -2.309 8.671 -4.150 98 HB3 CYS 18 2HB CYS 18 -1.147 8.865 -2.841 99 H GLY 19 H GLY 19 -3.885 6.267 -1.981 100 HA2 GLY 19 1HA GLY 19 -6.253 5.578 -1.981 101 HA3 GLY 19 2HA GLY 19 -6.499 6.740 -3.277 102 H LYS 20 H LYS 20 -4.483 3.900 -2.520 103 HA LYS 20 HA LYS 20 -5.086 2.869 -5.201 104 HB2 LYS 20 1HB LYS 20 -2.739 4.001 -4.885 105 HB3 LYS 20 2HB LYS 20 -2.340 2.499 -4.063 106 HG2 LYS 20 1HG LYS 20 -2.546 1.236 -5.987 107 HG3 LYS 20 2HG LYS 20 -3.567 2.434 -6.786 108 HD2 LYS 20 1HD LYS 20 -1.673 3.925 -7.038 109 HD3 LYS 20 2HD LYS 20 -0.641 2.806 -6.144 110 HE2 LYS 20 1HE LYS 20 -0.229 2.554 -8.504 111 HE3 LYS 20 2HE LYS 20 -1.034 1.108 -7.899 112 HZ1 LYS 20 3HZ LYS 20 -3.120 1.933 -8.780 113 HZ2 LYS 20 1HZ LYS 20 -1.962 1.840 -10.011 114 HZ3 LYS 20 2HZ LYS 20 -2.364 3.339 -9.339 115 H ALA 21 H ALA 21 -6.124 1.016 -4.904 116 HA ALA 21 HA ALA 21 -5.796 -0.533 -2.494 117 HB1 ALA 21 3HB ALA 21 -7.342 -1.569 -4.812 118 HB2 ALA 21 1HB ALA 21 -7.706 -1.635 -3.088 119 HB3 ALA 21 2HB ALA 21 -7.936 -0.131 -3.982 120 H PHE 22 H PHE 22 -4.606 -2.322 -2.217 121 HA PHE 22 HA PHE 22 -3.338 -3.516 -4.594 122 HB2 PHE 22 1HB PHE 22 -2.132 -3.036 -1.864 123 HB3 PHE 22 2HB PHE 22 -1.375 -4.012 -3.118 124 HD1 PHE 22 HD2 PHE 22 -0.531 -2.965 -5.166 125 HD2 PHE 22 HD1 PHE 22 -2.136 -0.653 -1.972 126 HE1 PHE 22 HE2 PHE 22 0.506 -0.945 -6.111 127 HE2 PHE 22 HE1 PHE 22 -1.102 1.371 -2.914 128 HZ PHE 22 HZ PHE 22 0.222 1.227 -4.985 129 H THR 23 H THR 23 -2.668 -5.778 -4.311 130 HA THR 23 HA THR 23 -4.776 -7.293 -3.063 131 HB THR 23 HB THR 23 -3.968 -8.019 -5.230 132 HG1 THR 23 HG1 THR 23 -3.422 -10.232 -4.606 133 HG21 THR 23 3HG2 THR 23 -1.809 -8.113 -5.797 134 HG22 THR 23 1HG2 THR 23 -1.419 -9.121 -4.404 135 HG23 THR 23 2HG2 THR 23 -1.451 -7.365 -4.240 136 H ARG 24 H ARG 24 -1.373 -6.658 -2.477 137 HA ARG 24 HA ARG 24 -1.622 -8.069 0.093 138 HB2 ARG 24 1HB ARG 24 0.733 -8.105 -1.800 139 HB3 ARG 24 2HB ARG 24 0.803 -8.676 -0.138 140 HG2 ARG 24 1HG ARG 24 -1.032 -9.781 -2.254 141 HG3 ARG 24 2HG ARG 24 0.517 -10.487 -1.788 142 HD2 ARG 24 1HD ARG 24 -0.368 -10.639 0.555 143 HD3 ARG 24 2HD ARG 24 -1.941 -10.158 -0.078 144 HE ARG 24 HE ARG 24 -0.654 -12.727 -0.370 145 HH11 ARG 24 1HH1 ARG 24 -3.106 -10.559 -1.556 146 HH12 ARG 24 2HH1 ARG 24 -4.048 -11.816 -2.288 147 HH21 ARG 24 1HH2 ARG 24 -1.886 -14.391 -1.329 148 HH22 ARG 24 2HH2 ARG 24 -3.354 -13.995 -2.157 149 H ILE 25 H ILE 25 -0.137 -7.298 1.759 150 HA ILE 25 HA ILE 25 -0.088 -4.453 1.867 151 HB ILE 25 HB ILE 25 -0.417 -5.773 3.890 152 HG12 ILE 25 1HG1 ILE 25 1.516 -4.704 5.263 153 HG13 ILE 25 2HG1 ILE 25 1.992 -3.984 3.729 154 HG21 ILE 25 1HG2 ILE 25 1.405 -7.483 2.965 155 HG22 ILE 25 2HG2 ILE 25 2.434 -6.554 4.054 156 HG23 ILE 25 3HG2 ILE 25 0.997 -7.365 4.676 157 HD11 ILE 25 3HD1 ILE 25 -0.465 -3.512 5.355 158 HD12 ILE 25 1HD1 ILE 25 0.683 -2.348 4.695 159 HD13 ILE 25 2HD1 ILE 25 -0.453 -3.170 3.626 160 H PHE 26 H PHE 26 2.334 -6.938 1.281 161 HA PHE 26 HA PHE 26 4.687 -5.583 1.558 162 HB2 PHE 26 1HB PHE 26 4.313 -7.234 -0.909 163 HB3 PHE 26 2HB PHE 26 5.669 -7.195 0.214 164 HD1 PHE 26 HD1 PHE 26 5.034 -7.988 2.673 165 HD2 PHE 26 HD2 PHE 26 2.955 -9.077 -0.878 166 HE1 PHE 26 HE1 PHE 26 4.154 -9.987 3.806 167 HE2 PHE 26 HE2 PHE 26 2.071 -11.077 0.249 168 HZ PHE 26 HZ PHE 26 2.670 -11.534 2.594 169 H HIS 27 H HIS 27 2.941 -5.803 -1.548 170 HA HIS 27 HA HIS 27 4.416 -3.980 -2.982 171 HB2 HIS 27 1HB HIS 27 1.590 -4.915 -3.118 172 HB3 HIS 27 2HB HIS 27 2.034 -3.509 -4.081 173 HD2 HIS 27 HD2 HIS 27 3.717 -4.033 -6.256 174 HE1 HIS 27 HE1 HIS 27 3.652 -8.252 -5.822 175 HE2 HIS 27 HE2 HIS 27 4.392 -6.320 -7.258 176 H LEU 28 H LEU 28 1.544 -3.313 -0.991 177 HA LEU 28 HA LEU 28 1.350 -0.582 -1.443 178 HB2 LEU 28 1HB LEU 28 -0.415 -1.644 -0.307 179 HB3 LEU 28 2HB LEU 28 0.662 -2.283 0.933 180 HG LEU 28 HG LEU 28 0.938 -0.048 1.865 181 HD11 LEU 28 1HD1 LEU 28 -1.194 1.295 0.498 182 HD12 LEU 28 2HD1 LEU 28 0.043 0.793 -0.655 183 HD13 LEU 28 3HD1 LEU 28 0.482 1.797 0.726 184 HD21 LEU 28 3HD2 LEU 28 -0.845 -1.370 2.770 185 HD22 LEU 28 1HD2 LEU 28 -1.920 -0.909 1.450 186 HD23 LEU 28 2HD2 LEU 28 -1.405 0.298 2.629 187 H THR 29 H THR 29 3.312 -2.337 0.918 188 HA THR 29 HA THR 29 4.299 -0.099 2.307 189 HB THR 29 HB THR 29 5.550 -2.822 1.901 190 HG1 THR 29 HG1 THR 29 3.750 -1.707 3.754 191 HG21 THR 29 3HG2 THR 29 7.087 -2.332 3.617 192 HG22 THR 29 1HG2 THR 29 6.232 -0.861 4.078 193 HG23 THR 29 2HG2 THR 29 7.126 -0.922 2.559 194 H ARG 30 H ARG 30 5.491 -1.817 -0.546 195 HA ARG 30 HA ARG 30 7.905 -0.320 -0.762 196 HB2 ARG 30 1HB ARG 30 6.466 -1.830 -2.948 197 HB3 ARG 30 2HB ARG 30 8.166 -1.381 -2.915 198 HG2 ARG 30 1HG ARG 30 8.556 -2.884 -1.054 199 HG3 ARG 30 2HG ARG 30 6.841 -3.296 -1.006 200 HD2 ARG 30 1HD ARG 30 7.947 -5.050 -2.166 201 HD3 ARG 30 2HD ARG 30 7.071 -4.106 -3.370 202 HE ARG 30 HE ARG 30 9.837 -3.352 -2.993 203 HH11 ARG 30 1HH1 ARG 30 7.569 -5.310 -4.766 204 HH12 ARG 30 2HH1 ARG 30 8.614 -5.514 -6.133 205 HH21 ARG 30 1HH2 ARG 30 11.221 -3.612 -4.786 206 HH22 ARG 30 2HH2 ARG 30 10.692 -4.548 -6.143 207 H HIS 31 H HIS 31 4.666 0.007 -2.093 208 HA HIS 31 HA HIS 31 5.255 2.025 -3.981 209 HB2 HIS 31 1HB HIS 31 3.200 1.064 -4.388 210 HB3 HIS 31 2HB HIS 31 2.776 0.990 -2.680 211 HD1 HIS 31 HD1 HIS 31 2.632 3.222 -5.662 212 HD2 HIS 31 HD2 HIS 31 1.580 3.314 -1.643 213 HE1 HIS 31 HE1 HIS 31 1.153 5.239 -5.400 214 H GLN 32 H GLN 32 3.824 2.247 -0.722 215 HA GLN 32 HA GLN 32 3.445 4.888 -0.402 216 HB2 GLN 32 1HB GLN 32 4.629 2.892 1.509 217 HB3 GLN 32 2HB GLN 32 4.347 4.559 1.995 218 HG2 GLN 32 1HG GLN 32 2.048 4.352 1.849 219 HG3 GLN 32 2HG GLN 32 2.142 2.950 0.783 220 HE21 GLN 32 1HE2 GLN 32 0.478 2.407 2.562 221 HE22 GLN 32 2HE2 GLN 32 1.098 1.507 3.900 222 H LYS 33 H LYS 33 6.511 3.333 -0.820 223 HA LYS 33 HA LYS 33 8.307 5.130 0.223 224 HB2 LYS 33 1HB LYS 33 8.428 3.500 -2.310 225 HB3 LYS 33 2HB LYS 33 9.791 4.454 -1.740 226 HG2 LYS 33 1HG LYS 33 9.424 3.132 0.478 227 HG3 LYS 33 2HG LYS 33 8.578 1.994 -0.573 228 HD2 LYS 33 1HD LYS 33 10.562 1.780 -1.967 229 HD3 LYS 33 2HD LYS 33 11.408 2.967 -0.971 230 HE2 LYS 33 1HE LYS 33 12.187 0.959 -0.124 231 HE3 LYS 33 2HE LYS 33 10.867 1.348 0.978 232 HZ1 LYS 33 3HZ LYS 33 11.108 -1.014 -0.146 233 HZ2 LYS 33 1HZ LYS 33 10.217 -0.259 -1.370 234 HZ3 LYS 33 2HZ LYS 33 9.596 -0.340 0.201 235 H ILE 34 H ILE 34 6.748 5.270 -2.968 236 HA ILE 34 HA ILE 34 7.971 7.497 -4.018 237 HB ILE 34 HB ILE 34 6.008 7.854 -5.377 238 HG12 ILE 34 1HG1 ILE 34 4.444 5.781 -3.903 239 HG13 ILE 34 2HG1 ILE 34 4.501 7.411 -3.240 240 HG21 ILE 34 1HG2 ILE 34 7.142 5.208 -4.934 241 HG22 ILE 34 2HG2 ILE 34 5.558 5.166 -5.706 242 HG23 ILE 34 3HG2 ILE 34 6.871 6.088 -6.438 243 HD11 ILE 34 3HD1 ILE 34 2.606 7.480 -4.530 244 HD12 ILE 34 1HD1 ILE 34 3.817 8.121 -5.641 245 HD13 ILE 34 2HD1 ILE 34 3.290 6.444 -5.783 246 H HIS 35 H HIS 35 5.733 7.318 -1.389 247 HA HIS 35 HA HIS 35 5.097 10.143 -1.445 248 HB2 HIS 35 1HB HIS 35 4.449 7.980 0.568 249 HB3 HIS 35 2HB HIS 35 3.871 9.641 0.668 250 HD1 HIS 35 HD1 HIS 35 2.959 10.128 -2.190 251 HD2 HIS 35 HD2 HIS 35 2.221 6.600 -0.124 252 HE1 HIS 35 HE1 HIS 35 0.959 9.097 -3.313 253 H THR 36 H THR 36 6.950 7.929 0.623 254 HA THR 36 HA THR 36 7.979 10.139 2.198 255 HB THR 36 HB THR 36 7.425 7.998 3.299 256 HG1 THR 36 HG1 THR 36 10.223 8.527 3.390 257 HG21 THR 36 3HG2 THR 36 7.994 6.087 2.302 258 HG22 THR 36 1HG2 THR 36 9.672 6.424 2.727 259 HG23 THR 36 2HG2 THR 36 9.038 6.935 1.162 260 H ARG 37 H ARG 37 8.684 10.387 -0.475 261 HA ARG 37 HA ARG 37 11.580 10.313 -0.252 262 HB2 ARG 37 1HB ARG 37 10.680 8.175 -1.417 263 HB3 ARG 37 2HB ARG 37 10.352 9.243 -2.774 264 HG2 ARG 37 1HG ARG 37 12.427 8.526 -3.352 265 HG3 ARG 37 2HG ARG 37 12.870 9.933 -2.384 266 HD2 ARG 37 1HD ARG 37 12.550 7.308 -1.018 267 HD3 ARG 37 2HD ARG 37 13.994 7.578 -1.992 268 HE ARG 37 HE ARG 37 13.433 9.689 -0.118 269 HH11 ARG 37 1HH1 ARG 37 14.995 6.616 -0.603 270 HH12 ARG 37 2HH1 ARG 37 16.132 6.843 0.684 271 HH21 ARG 37 1HH2 ARG 37 14.924 10.000 1.579 272 HH22 ARG 37 2HH2 ARG 37 16.090 8.768 1.926 273 H LYS 38 H LYS 38 12.506 12.067 -1.140 274 HA LYS 38 HA LYS 38 10.767 14.038 -2.373 275 HB2 LYS 38 1HB LYS 38 13.536 14.067 -1.233 276 HB3 LYS 38 2HB LYS 38 13.032 15.360 -2.314 277 HG2 LYS 38 1HG LYS 38 12.578 16.203 -0.204 278 HG3 LYS 38 2HG LYS 38 11.010 15.604 -0.751 279 HD2 LYS 38 1HD LYS 38 11.058 14.705 1.351 280 HD3 LYS 38 2HD LYS 38 11.828 13.398 0.450 281 HE2 LYS 38 1HE LYS 38 14.038 14.421 1.027 282 HE3 LYS 38 2HE LYS 38 13.178 15.546 2.077 283 HZ1 LYS 38 3HZ LYS 38 14.158 13.361 3.038 284 HZ2 LYS 38 1HZ LYS 38 12.754 12.657 2.409 285 HZ3 LYS 38 2HZ LYS 38 12.639 13.896 3.555 286 H SER 39 H SER 39 10.689 12.278 -4.203 287 HA SER 39 HA SER 39 12.862 12.785 -6.120 288 HB2 SER 39 1HB SER 39 12.273 10.393 -5.464 289 HB3 SER 39 2HB SER 39 10.761 10.627 -6.341 290 HG SER 39 HG SER 39 12.990 9.845 -7.368 291 H GLY 40 H GLY 40 11.654 14.944 -6.278 292 HA2 GLY 40 1HA GLY 40 10.343 16.374 -7.506 293 HA3 GLY 40 2HA GLY 40 10.443 15.155 -8.768 294 HA PRO 41 HA PRO 41 5.991 15.585 -7.631 295 HB2 PRO 41 1HB PRO 41 5.098 15.476 -10.192 296 HB3 PRO 41 2HB PRO 41 5.627 16.977 -9.422 297 HG2 PRO 41 1HG PRO 41 7.121 15.178 -11.291 298 HG3 PRO 41 2HG PRO 41 7.040 16.949 -11.269 299 HD2 PRO 41 1HD PRO 41 9.140 15.575 -10.254 300 HD3 PRO 41 2HD PRO 41 8.598 17.126 -9.581 301 H SER 42 H SER 42 8.009 13.219 -8.734 302 HA SER 42 HA SER 42 7.823 10.941 -8.727 303 HB2 SER 42 1HB SER 42 4.857 11.174 -8.254 304 HB3 SER 42 2HB SER 42 5.950 9.876 -7.774 305 HG SER 42 HG SER 42 5.253 12.074 -6.410 306 H SER 43 H SER 43 7.926 12.158 -11.104 307 HA SER 43 HA SER 43 6.706 10.292 -12.850 308 HB2 SER 43 1HB SER 43 4.754 11.811 -12.308 309 HB3 SER 43 2HB SER 43 5.633 13.105 -13.123 310 HG SER 43 HG SER 43 4.716 12.331 -14.847 311 H GLY 44 H GLY 44 7.217 10.744 -15.142 312 HA2 GLY 44 1HA GLY 44 8.975 12.877 -15.838 313 HA3 GLY 44 2HA GLY 44 9.872 11.396 -15.537 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -33.732 0.614 6.564 2 HA2 GLY 1 1HA GLY 1 -31.195 1.180 7.819 3 HA3 GLY 1 2HA GLY 1 -32.163 -0.004 8.685 4 H SER 2 H SER 2 -29.671 0.208 6.672 5 HA SER 2 HA SER 2 -30.419 -1.981 4.895 6 HB2 SER 2 1HB SER 2 -28.263 -1.574 3.805 7 HB3 SER 2 2HB SER 2 -29.169 -0.069 3.959 8 HG SER 2 HG SER 2 -26.921 0.076 4.573 9 H SER 3 H SER 3 -29.925 -4.036 5.279 10 HA SER 3 HA SER 3 -27.637 -4.710 6.956 11 HB2 SER 3 1HB SER 3 -30.450 -5.651 7.565 12 HB3 SER 3 2HB SER 3 -28.989 -6.253 8.347 13 HG SER 3 HG SER 3 -30.416 -4.202 9.081 14 H GLY 4 H GLY 4 -26.520 -5.939 5.575 15 HA2 GLY 4 1HA GLY 4 -27.395 -8.510 4.843 16 HA3 GLY 4 2HA GLY 4 -27.598 -7.439 3.464 17 H SER 5 H SER 5 -25.780 -6.582 2.433 18 HA SER 5 HA SER 5 -23.425 -8.227 2.658 19 HB2 SER 5 1HB SER 5 -22.624 -6.943 0.705 20 HB3 SER 5 2HB SER 5 -24.251 -7.572 0.447 21 HG SER 5 HG SER 5 -25.024 -5.472 1.076 22 H SER 6 H SER 6 -22.489 -7.728 4.631 23 HA SER 6 HA SER 6 -21.732 -4.963 5.166 24 HB2 SER 6 1HB SER 6 -22.669 -6.564 6.935 25 HB3 SER 6 2HB SER 6 -21.091 -7.350 6.895 26 HG SER 6 HG SER 6 -20.676 -5.868 8.352 27 H GLY 7 H GLY 7 -20.188 -4.691 3.496 28 HA2 GLY 7 1HA GLY 7 -18.153 -5.012 2.409 29 HA3 GLY 7 2HA GLY 7 -17.580 -4.762 4.051 30 H THR 8 H THR 8 -18.572 -7.235 1.732 31 HA THR 8 HA THR 8 -17.499 -9.381 3.331 32 HB THR 8 HB THR 8 -18.357 -9.483 0.435 33 HG1 THR 8 HG1 THR 8 -19.897 -10.033 2.771 34 HG21 THR 8 3HG2 THR 8 -17.130 -11.437 0.975 35 HG22 THR 8 1HG2 THR 8 -18.831 -11.888 1.084 36 HG23 THR 8 2HG2 THR 8 -17.905 -11.576 2.553 37 H ASP 9 H ASP 9 -15.318 -9.074 3.602 38 HA ASP 9 HA ASP 9 -13.656 -9.752 1.342 39 HB2 ASP 9 1HB ASP 9 -12.117 -7.765 1.813 40 HB3 ASP 9 2HB ASP 9 -13.611 -7.425 0.943 41 H SER 10 H SER 10 -11.742 -10.703 1.937 42 HA SER 10 HA SER 10 -11.538 -11.477 4.718 43 HB2 SER 10 1HB SER 10 -9.772 -13.000 3.940 44 HB3 SER 10 2HB SER 10 -11.221 -13.156 2.947 45 HG SER 10 HG SER 10 -9.990 -11.433 1.632 46 H LYS 11 H LYS 11 -9.644 -9.646 2.364 47 HA LYS 11 HA LYS 11 -8.477 -8.007 4.359 48 HB2 LYS 11 1HB LYS 11 -6.195 -8.712 4.287 49 HB3 LYS 11 2HB LYS 11 -7.165 -10.129 4.666 50 HG2 LYS 11 1HG LYS 11 -7.016 -10.856 2.339 51 HG3 LYS 11 2HG LYS 11 -6.042 -9.434 1.959 52 HD2 LYS 11 1HD LYS 11 -4.262 -10.182 3.352 53 HD3 LYS 11 2HD LYS 11 -5.258 -11.466 4.040 54 HE2 LYS 11 1HE LYS 11 -4.631 -11.338 1.106 55 HE3 LYS 11 2HE LYS 11 -3.547 -12.119 2.256 56 HZ1 LYS 11 3HZ LYS 11 -6.035 -13.048 1.174 57 HZ2 LYS 11 1HZ LYS 11 -5.977 -13.166 2.860 58 HZ3 LYS 11 2HZ LYS 11 -4.790 -13.918 1.919 59 H SER 12 H SER 12 -7.893 -6.122 3.463 60 HA SER 12 HA SER 12 -6.823 -5.939 0.807 61 HB2 SER 12 1HB SER 12 -8.659 -4.492 -0.072 62 HB3 SER 12 2HB SER 12 -9.158 -6.162 0.195 63 HG SER 12 HG SER 12 -10.406 -4.133 1.074 64 H TYR 13 H TYR 13 -5.328 -4.419 0.967 65 HA TYR 13 HA TYR 13 -5.565 -2.364 3.020 66 HB2 TYR 13 1HB TYR 13 -3.230 -2.846 1.168 67 HB3 TYR 13 2HB TYR 13 -3.230 -1.960 2.689 68 HD1 TYR 13 HD1 TYR 13 -3.603 -5.347 1.224 69 HD2 TYR 13 HD2 TYR 13 -2.830 -3.065 4.731 70 HE1 TYR 13 HE1 TYR 13 -2.963 -7.403 2.413 71 HE2 TYR 13 HE2 TYR 13 -2.186 -5.114 5.929 72 HH TYR 13 HH TYR 13 -1.992 -7.321 5.830 73 H ASN 14 H ASN 14 -4.819 -0.127 2.438 74 HA ASN 14 HA ASN 14 -5.284 0.685 -0.307 75 HB2 ASN 14 1HB ASN 14 -7.006 1.823 1.904 76 HB3 ASN 14 2HB ASN 14 -7.090 2.211 0.188 77 HD21 ASN 14 1HD2 ASN 14 -7.439 -0.449 2.483 78 HD22 ASN 14 2HD2 ASN 14 -8.646 -1.299 1.586 79 H CYS 15 H CYS 15 -4.227 2.536 -0.833 80 HA CYS 15 HA CYS 15 -2.493 3.667 1.215 81 HB2 CYS 15 1HB CYS 15 -1.621 2.964 -1.037 82 HB3 CYS 15 2HB CYS 15 -2.547 4.285 -1.744 83 H ASN 16 H ASN 16 -4.467 4.645 2.235 84 HA ASN 16 HA ASN 16 -6.181 6.483 1.351 85 HB2 ASN 16 1HB ASN 16 -5.646 7.812 3.523 86 HB3 ASN 16 2HB ASN 16 -6.233 6.157 3.659 87 HD21 ASN 16 1HD2 ASN 16 -4.030 8.267 4.809 88 HD22 ASN 16 2HD2 ASN 16 -2.820 7.165 5.362 89 H GLU 17 H GLU 17 -2.728 7.069 1.805 90 HA GLU 17 HA GLU 17 -2.471 9.746 1.516 91 HB2 GLU 17 1HB GLU 17 -0.842 7.536 0.277 92 HB3 GLU 17 2HB GLU 17 -0.385 9.227 0.125 93 HG2 GLU 17 1HG GLU 17 0.854 8.344 1.926 94 HG3 GLU 17 2HG GLU 17 -0.404 9.359 2.627 95 H CYS 18 H CYS 18 -2.655 7.494 -1.245 96 HA CYS 18 HA CYS 18 -3.470 9.762 -2.934 97 HB2 CYS 18 1HB CYS 18 -2.770 8.355 -4.846 98 HB3 CYS 18 2HB CYS 18 -1.451 8.658 -3.720 99 H GLY 19 H GLY 19 -4.224 6.394 -2.137 100 HA2 GLY 19 1HA GLY 19 -6.579 5.827 -1.821 101 HA3 GLY 19 2HA GLY 19 -6.943 6.869 -3.188 102 H LYS 20 H LYS 20 -4.463 4.356 -2.800 103 HA LYS 20 HA LYS 20 -5.701 2.926 -5.061 104 HB2 LYS 20 1HB LYS 20 -3.413 4.143 -5.385 105 HB3 LYS 20 2HB LYS 20 -2.761 2.779 -4.486 106 HG2 LYS 20 1HG LYS 20 -3.711 1.248 -6.156 107 HG3 LYS 20 2HG LYS 20 -4.304 2.637 -7.069 108 HD2 LYS 20 1HD LYS 20 -2.053 3.412 -7.443 109 HD3 LYS 20 2HD LYS 20 -1.403 2.149 -6.395 110 HE2 LYS 20 1HE LYS 20 -2.947 1.627 -8.932 111 HE3 LYS 20 2HE LYS 20 -1.187 1.675 -8.835 112 HZ1 LYS 20 3HZ LYS 20 -1.105 -0.272 -7.667 113 HZ2 LYS 20 1HZ LYS 20 -2.464 -0.569 -8.631 114 HZ3 LYS 20 2HZ LYS 20 -2.658 -0.099 -7.018 115 H ALA 21 H ALA 21 -6.407 0.968 -4.557 116 HA ALA 21 HA ALA 21 -5.613 -0.272 -2.060 117 HB1 ALA 21 3HB ALA 21 -7.839 -0.630 -2.250 118 HB2 ALA 21 1HB ALA 21 -7.801 -0.630 -4.013 119 HB3 ALA 21 2HB ALA 21 -7.296 -2.065 -3.119 120 H PHE 22 H PHE 22 -4.427 -2.106 -1.822 121 HA PHE 22 HA PHE 22 -3.339 -3.322 -4.275 122 HB2 PHE 22 1HB PHE 22 -1.897 -2.856 -1.656 123 HB3 PHE 22 2HB PHE 22 -1.227 -3.692 -3.054 124 HD1 PHE 22 HD1 PHE 22 -2.287 -0.442 -1.717 125 HD2 PHE 22 HD2 PHE 22 -0.435 -2.487 -4.959 126 HE1 PHE 22 HE1 PHE 22 -1.478 1.706 -2.606 127 HE2 PHE 22 HE2 PHE 22 0.377 -0.343 -5.852 128 HZ PHE 22 HZ PHE 22 -0.144 1.757 -4.675 129 H THR 23 H THR 23 -3.306 -5.508 -4.394 130 HA THR 23 HA THR 23 -5.049 -7.079 -2.996 131 HB THR 23 HB THR 23 -3.675 -9.048 -3.717 132 HG1 THR 23 HG1 THR 23 -1.844 -8.516 -5.067 133 HG21 THR 23 3HG2 THR 23 -4.125 -6.946 -5.839 134 HG22 THR 23 1HG2 THR 23 -5.360 -8.028 -5.195 135 HG23 THR 23 2HG2 THR 23 -3.999 -8.685 -6.105 136 H ARG 24 H ARG 24 -1.532 -6.928 -2.408 137 HA ARG 24 HA ARG 24 -2.048 -7.917 0.320 138 HB2 ARG 24 1HB ARG 24 0.339 -8.304 -1.486 139 HB3 ARG 24 2HB ARG 24 0.373 -8.666 0.235 140 HG2 ARG 24 1HG ARG 24 -1.415 -9.944 -1.822 141 HG3 ARG 24 2HG ARG 24 -0.013 -10.679 -1.042 142 HD2 ARG 24 1HD ARG 24 -1.173 -10.363 1.150 143 HD3 ARG 24 2HD ARG 24 -2.600 -9.840 0.257 144 HE ARG 24 HE ARG 24 -2.996 -12.027 -0.349 145 HH11 ARG 24 1HH1 ARG 24 0.154 -11.750 1.107 146 HH12 ARG 24 2HH1 ARG 24 0.388 -13.461 1.238 147 HH21 ARG 24 1HH2 ARG 24 -2.700 -14.282 -0.181 148 HH22 ARG 24 2HH2 ARG 24 -1.236 -14.901 0.504 149 H ILE 25 H ILE 25 -0.084 -7.290 1.801 150 HA ILE 25 HA ILE 25 -0.061 -4.416 1.890 151 HB ILE 25 HB ILE 25 -0.252 -5.649 3.968 152 HG12 ILE 25 1HG1 ILE 25 1.984 -4.705 5.056 153 HG13 ILE 25 2HG1 ILE 25 2.132 -3.920 3.488 154 HG21 ILE 25 1HG2 ILE 25 0.924 -7.666 3.415 155 HG22 ILE 25 2HG2 ILE 25 2.443 -6.786 3.247 156 HG23 ILE 25 3HG2 ILE 25 1.687 -6.944 4.832 157 HD11 ILE 25 3HD1 ILE 25 0.335 -2.565 3.845 158 HD12 ILE 25 1HD1 ILE 25 -0.448 -3.703 4.941 159 HD13 ILE 25 2HD1 ILE 25 0.926 -2.747 5.497 160 H PHE 26 H PHE 26 2.292 -6.972 1.256 161 HA PHE 26 HA PHE 26 4.670 -5.666 1.279 162 HB2 PHE 26 1HB PHE 26 4.006 -7.397 -1.083 163 HB3 PHE 26 2HB PHE 26 5.508 -7.299 -0.170 164 HD1 PHE 26 HD1 PHE 26 5.352 -8.058 2.326 165 HD2 PHE 26 HD2 PHE 26 2.574 -9.158 -0.706 166 HE1 PHE 26 HE1 PHE 26 4.665 -10.004 3.666 167 HE2 PHE 26 HE2 PHE 26 1.882 -11.105 0.630 168 HZ PHE 26 HZ PHE 26 2.927 -11.530 2.819 169 H HIS 27 H HIS 27 2.572 -5.840 -1.603 170 HA HIS 27 HA HIS 27 4.000 -4.112 -3.226 171 HB2 HIS 27 1HB HIS 27 1.818 -5.559 -3.635 172 HB3 HIS 27 2HB HIS 27 1.017 -4.021 -3.326 173 HD2 HIS 27 HD2 HIS 27 4.343 -4.009 -5.355 174 HE1 HIS 27 HE1 HIS 27 1.140 -3.196 -8.016 175 HE2 HIS 27 HE2 HIS 27 3.639 -3.385 -7.765 176 H LEU 28 H LEU 28 1.545 -3.372 -0.796 177 HA LEU 28 HA LEU 28 1.337 -0.613 -1.349 178 HB2 LEU 28 1HB LEU 28 -0.374 -1.643 -0.074 179 HB3 LEU 28 2HB LEU 28 0.780 -2.247 1.113 180 HG LEU 28 HG LEU 28 1.179 0.086 1.847 181 HD11 LEU 28 1HD1 LEU 28 0.110 0.826 -0.525 182 HD12 LEU 28 2HD1 LEU 28 0.259 1.889 0.874 183 HD13 LEU 28 3HD1 LEU 28 -1.267 1.067 0.550 184 HD21 LEU 28 3HD2 LEU 28 -0.978 -1.586 2.398 185 HD22 LEU 28 1HD2 LEU 28 -1.685 0.017 2.202 186 HD23 LEU 28 2HD2 LEU 28 -0.398 -0.240 3.380 187 H THR 29 H THR 29 3.386 -2.447 0.877 188 HA THR 29 HA THR 29 4.566 -0.291 2.211 189 HB THR 29 HB THR 29 5.824 -2.965 1.570 190 HG1 THR 29 HG1 THR 29 3.871 -3.187 2.726 191 HG21 THR 29 3HG2 THR 29 6.541 -0.758 3.475 192 HG22 THR 29 1HG2 THR 29 7.574 -1.606 2.325 193 HG23 THR 29 2HG2 THR 29 7.021 -2.426 3.785 194 H ARG 30 H ARG 30 5.745 -2.103 -0.623 195 HA ARG 30 HA ARG 30 8.037 -0.522 -1.043 196 HB2 ARG 30 1HB ARG 30 8.281 -1.659 -3.100 197 HB3 ARG 30 2HB ARG 30 7.530 -2.818 -2.012 198 HG2 ARG 30 1HG ARG 30 5.413 -2.547 -3.039 199 HG3 ARG 30 2HG ARG 30 5.964 -1.139 -3.950 200 HD2 ARG 30 1HD ARG 30 6.008 -2.853 -5.523 201 HD3 ARG 30 2HD ARG 30 7.684 -2.744 -4.986 202 HE ARG 30 HE ARG 30 5.840 -4.926 -4.525 203 HH11 ARG 30 1HH1 ARG 30 8.836 -3.398 -3.624 204 HH12 ARG 30 2HH1 ARG 30 9.509 -4.834 -2.925 205 HH21 ARG 30 1HH2 ARG 30 6.715 -6.823 -3.607 206 HH22 ARG 30 2HH2 ARG 30 8.302 -6.781 -2.916 207 H HIS 31 H HIS 31 4.706 -0.047 -1.842 208 HA HIS 31 HA HIS 31 5.163 1.929 -3.875 209 HB2 HIS 31 1HB HIS 31 3.112 0.799 -4.086 210 HB3 HIS 31 2HB HIS 31 2.733 0.982 -2.375 211 HD1 HIS 31 HD1 HIS 31 3.132 3.197 -5.442 212 HD2 HIS 31 HD2 HIS 31 1.034 3.026 -1.860 213 HE1 HIS 31 HE1 HIS 31 1.556 5.156 -5.492 214 H GLN 32 H GLN 32 3.705 2.151 -0.623 215 HA GLN 32 HA GLN 32 3.458 4.808 -0.293 216 HB2 GLN 32 1HB GLN 32 4.529 2.806 1.694 217 HB3 GLN 32 2HB GLN 32 4.105 4.456 2.129 218 HG2 GLN 32 1HG GLN 32 1.816 3.853 1.039 219 HG3 GLN 32 2HG GLN 32 2.340 2.195 1.326 220 HE21 GLN 32 1HE2 GLN 32 0.179 2.699 2.595 221 HE22 GLN 32 2HE2 GLN 32 0.422 3.056 4.268 222 H LYS 33 H LYS 33 6.446 3.085 -0.593 223 HA LYS 33 HA LYS 33 8.306 4.724 0.560 224 HB2 LYS 33 1HB LYS 33 8.505 3.359 -2.131 225 HB3 LYS 33 2HB LYS 33 9.869 3.993 -1.220 226 HG2 LYS 33 1HG LYS 33 9.028 2.426 0.661 227 HG3 LYS 33 2HG LYS 33 8.151 1.619 -0.641 228 HD2 LYS 33 1HD LYS 33 10.130 0.437 -0.622 229 HD3 LYS 33 2HD LYS 33 10.471 1.666 -1.842 230 HE2 LYS 33 1HE LYS 33 11.493 3.044 0.008 231 HE3 LYS 33 2HE LYS 33 11.357 1.618 1.035 232 HZ1 LYS 33 3HZ LYS 33 13.524 2.113 -0.326 233 HZ2 LYS 33 1HZ LYS 33 12.677 1.326 -1.561 234 HZ3 LYS 33 2HZ LYS 33 12.980 0.527 -0.102 235 H ILE 34 H ILE 34 6.928 5.092 -2.701 236 HA ILE 34 HA ILE 34 8.319 7.395 -3.437 237 HB ILE 34 HB ILE 34 6.656 7.748 -5.126 238 HG12 ILE 34 1HG1 ILE 34 4.886 5.682 -3.829 239 HG13 ILE 34 2HG1 ILE 34 4.731 7.396 -3.461 240 HG21 ILE 34 1HG2 ILE 34 7.741 5.116 -4.573 241 HG22 ILE 34 2HG2 ILE 34 6.288 5.044 -5.569 242 HG23 ILE 34 3HG2 ILE 34 7.667 6.011 -6.090 243 HD11 ILE 34 3HD1 ILE 34 4.339 6.053 -6.120 244 HD12 ILE 34 1HD1 ILE 34 3.124 6.850 -5.121 245 HD13 ILE 34 2HD1 ILE 34 4.389 7.802 -5.898 246 H HIS 35 H HIS 35 5.536 6.975 -1.382 247 HA HIS 35 HA HIS 35 4.807 9.756 -1.365 248 HB2 HIS 35 1HB HIS 35 3.950 7.365 0.255 249 HB3 HIS 35 2HB HIS 35 3.388 8.990 0.635 250 HD1 HIS 35 HD1 HIS 35 1.987 10.197 -1.309 251 HD2 HIS 35 HD2 HIS 35 2.576 6.107 -1.745 252 HE1 HIS 35 HE1 HIS 35 0.297 9.452 -3.016 253 H THR 36 H THR 36 5.778 7.667 1.354 254 HA THR 36 HA THR 36 6.451 9.629 3.147 255 HB THR 36 HB THR 36 6.382 7.229 3.714 256 HG1 THR 36 HG1 THR 36 8.344 7.306 5.053 257 HG21 THR 36 3HG2 THR 36 8.271 7.018 1.624 258 HG22 THR 36 1HG2 THR 36 7.605 5.724 2.619 259 HG23 THR 36 2HG2 THR 36 9.091 6.537 3.109 260 H ARG 37 H ARG 37 8.104 11.007 3.461 261 HA ARG 37 HA ARG 37 10.616 10.643 2.042 262 HB2 ARG 37 1HB ARG 37 8.840 12.056 0.690 263 HB3 ARG 37 2HB ARG 37 9.343 13.334 1.789 264 HG2 ARG 37 1HG ARG 37 11.747 12.605 1.040 265 HG3 ARG 37 2HG ARG 37 10.879 11.961 -0.356 266 HD2 ARG 37 1HD ARG 37 10.564 14.790 0.625 267 HD3 ARG 37 2HD ARG 37 11.754 14.317 -0.588 268 HE ARG 37 HE ARG 37 9.124 13.455 -1.276 269 HH11 ARG 37 1HH1 ARG 37 11.260 16.204 -1.267 270 HH12 ARG 37 2HH1 ARG 37 10.466 16.989 -2.592 271 HH21 ARG 37 1HH2 ARG 37 8.071 14.478 -3.021 272 HH22 ARG 37 2HH2 ARG 37 8.652 16.007 -3.588 273 H LYS 38 H LYS 38 12.340 11.863 2.904 274 HA LYS 38 HA LYS 38 11.865 12.738 5.653 275 HB2 LYS 38 1HB LYS 38 14.396 12.063 4.148 276 HB3 LYS 38 2HB LYS 38 14.381 12.683 5.794 277 HG2 LYS 38 1HG LYS 38 13.590 10.733 6.672 278 HG3 LYS 38 2HG LYS 38 12.748 10.277 5.190 279 HD2 LYS 38 1HD LYS 38 14.581 8.784 5.427 280 HD3 LYS 38 2HD LYS 38 15.011 9.918 4.145 281 HE2 LYS 38 1HE LYS 38 16.948 9.940 5.358 282 HE3 LYS 38 2HE LYS 38 16.078 11.252 6.152 283 HZ1 LYS 38 3HZ LYS 38 16.290 8.447 7.101 284 HZ2 LYS 38 1HZ LYS 38 15.336 9.637 7.833 285 HZ3 LYS 38 2HZ LYS 38 17.018 9.806 7.797 286 H SER 39 H SER 39 10.978 14.785 5.282 287 HA SER 39 HA SER 39 12.458 16.731 3.731 288 HB2 SER 39 1HB SER 39 10.628 18.271 4.342 289 HB3 SER 39 2HB SER 39 10.009 16.763 3.669 290 HG SER 39 HG SER 39 9.558 16.071 5.776 291 H GLY 40 H GLY 40 11.587 16.222 7.137 292 HA2 GLY 40 1HA GLY 40 13.873 16.896 8.374 293 HA3 GLY 40 2HA GLY 40 13.213 18.475 7.976 294 HA PRO 41 HA PRO 41 11.001 18.362 11.769 295 HB2 PRO 41 1HB PRO 41 9.045 20.156 11.197 296 HB3 PRO 41 2HB PRO 41 10.721 20.627 11.505 297 HG2 PRO 41 1HG PRO 41 9.301 20.279 8.892 298 HG3 PRO 41 2HG PRO 41 10.419 21.560 9.396 299 HD2 PRO 41 1HD PRO 41 11.188 19.488 7.833 300 HD3 PRO 41 2HD PRO 41 12.283 20.266 8.994 301 H SER 42 H SER 42 9.588 16.931 12.541 302 HA SER 42 HA SER 42 7.467 15.948 10.756 303 HB2 SER 42 1HB SER 42 8.839 14.664 13.124 304 HB3 SER 42 2HB SER 42 7.416 13.978 12.340 305 HG SER 42 HG SER 42 8.651 13.952 10.382 306 H SER 43 H SER 43 5.349 15.827 11.441 307 HA SER 43 HA SER 43 4.675 16.790 14.112 308 HB2 SER 43 1HB SER 43 4.761 18.686 12.283 309 HB3 SER 43 2HB SER 43 3.198 18.017 11.814 310 HG SER 43 HG SER 43 2.581 19.379 13.333 311 H GLY 44 H GLY 44 2.219 16.683 14.433 312 HA2 GLY 44 1HA GLY 44 0.142 15.648 13.691 313 HA3 GLY 44 2HA GLY 44 1.112 14.404 12.918 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -23.136 3.994 15.801 2 HA2 GLY 1 1HA GLY 1 -24.428 2.328 13.738 3 HA3 GLY 1 2HA GLY 1 -22.680 2.323 13.926 4 H SER 2 H SER 2 -25.101 0.390 14.405 5 HA SER 2 HA SER 2 -24.741 -0.321 17.181 6 HB2 SER 2 1HB SER 2 -26.453 -1.277 14.932 7 HB3 SER 2 2HB SER 2 -26.155 -2.383 16.273 8 HG SER 2 HG SER 2 -26.790 -0.430 17.597 9 H SER 3 H SER 3 -24.227 -2.043 14.098 10 HA SER 3 HA SER 3 -21.667 -3.005 14.834 11 HB2 SER 3 1HB SER 3 -22.312 -5.446 14.957 12 HB3 SER 3 2HB SER 3 -22.799 -4.478 16.348 13 HG SER 3 HG SER 3 -24.749 -5.108 15.941 14 H GLY 4 H GLY 4 -20.691 -4.309 13.184 15 HA2 GLY 4 1HA GLY 4 -22.253 -4.539 10.699 16 HA3 GLY 4 2HA GLY 4 -20.715 -3.689 10.681 17 H SER 5 H SER 5 -22.239 -6.818 11.259 18 HA SER 5 HA SER 5 -20.082 -8.432 11.723 19 HB2 SER 5 1HB SER 5 -22.625 -8.893 10.191 20 HB3 SER 5 2HB SER 5 -21.412 -10.168 10.308 21 HG SER 5 HG SER 5 -22.971 -8.996 12.328 22 H SER 6 H SER 6 -18.753 -9.761 10.377 23 HA SER 6 HA SER 6 -18.187 -8.526 7.763 24 HB2 SER 6 1HB SER 6 -15.864 -9.268 8.055 25 HB3 SER 6 2HB SER 6 -16.369 -8.248 9.402 26 HG SER 6 HG SER 6 -16.058 -11.058 9.342 27 H GLY 7 H GLY 7 -19.525 -9.833 6.524 28 HA2 GLY 7 1HA GLY 7 -19.870 -12.571 6.685 29 HA3 GLY 7 2HA GLY 7 -19.990 -11.647 5.194 30 H THR 8 H THR 8 -18.066 -11.351 3.919 31 HA THR 8 HA THR 8 -16.613 -13.682 3.506 32 HB THR 8 HB THR 8 -15.089 -12.309 2.106 33 HG1 THR 8 HG1 THR 8 -14.912 -10.277 2.647 34 HG21 THR 8 3HG2 THR 8 -17.333 -11.108 0.989 35 HG22 THR 8 1HG2 THR 8 -17.970 -12.509 1.848 36 HG23 THR 8 2HG2 THR 8 -16.714 -12.719 0.628 37 H ASP 9 H ASP 9 -14.186 -13.856 3.569 38 HA ASP 9 HA ASP 9 -13.127 -12.699 6.064 39 HB2 ASP 9 1HB ASP 9 -13.731 -15.167 6.169 40 HB3 ASP 9 2HB ASP 9 -12.423 -15.443 5.022 41 H SER 10 H SER 10 -12.757 -11.458 3.619 42 HA SER 10 HA SER 10 -9.880 -11.905 3.179 43 HB2 SER 10 1HB SER 10 -10.092 -11.611 0.840 44 HB3 SER 10 2HB SER 10 -11.403 -12.707 1.277 45 HG SER 10 HG SER 10 -11.650 -9.897 0.941 46 H LYS 11 H LYS 11 -8.682 -10.167 3.555 47 HA LYS 11 HA LYS 11 -10.018 -7.551 3.698 48 HB2 LYS 11 1HB LYS 11 -8.294 -6.861 5.220 49 HB3 LYS 11 2HB LYS 11 -8.916 -8.413 5.767 50 HG2 LYS 11 1HG LYS 11 -6.982 -9.523 4.707 51 HG3 LYS 11 2HG LYS 11 -6.345 -7.934 4.274 52 HD2 LYS 11 1HD LYS 11 -7.042 -8.550 7.118 53 HD3 LYS 11 2HD LYS 11 -5.512 -9.110 6.440 54 HE2 LYS 11 1HE LYS 11 -4.846 -6.870 5.926 55 HE3 LYS 11 2HE LYS 11 -6.440 -6.245 6.344 56 HZ1 LYS 11 3HZ LYS 11 -6.024 -7.032 8.645 57 HZ2 LYS 11 1HZ LYS 11 -4.969 -5.808 8.144 58 HZ3 LYS 11 2HZ LYS 11 -4.438 -7.413 8.196 59 H SER 12 H SER 12 -8.959 -5.693 2.852 60 HA SER 12 HA SER 12 -6.768 -6.203 0.972 61 HB2 SER 12 1HB SER 12 -7.859 -5.121 -0.845 62 HB3 SER 12 2HB SER 12 -9.032 -6.265 -0.194 63 HG SER 12 HG SER 12 -10.271 -4.568 -0.091 64 H TYR 13 H TYR 13 -5.185 -4.797 1.285 65 HA TYR 13 HA TYR 13 -5.534 -2.525 2.996 66 HB2 TYR 13 1HB TYR 13 -3.104 -3.190 1.331 67 HB3 TYR 13 2HB TYR 13 -3.168 -2.212 2.793 68 HD1 TYR 13 HD2 TYR 13 -3.738 -3.355 4.982 69 HD2 TYR 13 HD1 TYR 13 -2.772 -5.517 1.448 70 HE1 TYR 13 HE2 TYR 13 -3.250 -5.346 6.341 71 HE2 TYR 13 HE1 TYR 13 -2.282 -7.514 2.796 72 HH TYR 13 HH TYR 13 -2.220 -8.393 4.830 73 H ASN 14 H ASN 14 -5.107 -0.330 2.453 74 HA ASN 14 HA ASN 14 -5.103 0.384 -0.372 75 HB2 ASN 14 1HB ASN 14 -7.176 1.583 1.462 76 HB3 ASN 14 2HB ASN 14 -7.065 1.721 -0.291 77 HD21 ASN 14 1HD2 ASN 14 -7.968 0.189 -1.555 78 HD22 ASN 14 2HD2 ASN 14 -8.851 -1.169 -0.952 79 H CYS 15 H CYS 15 -3.999 2.220 -0.783 80 HA CYS 15 HA CYS 15 -2.412 3.373 1.255 81 HB2 CYS 15 1HB CYS 15 -1.610 3.297 -1.028 82 HB3 CYS 15 2HB CYS 15 -2.964 4.279 -1.576 83 H ASN 16 H ASN 16 -2.399 5.549 2.016 84 HA ASN 16 HA ASN 16 -5.088 6.740 2.097 85 HB2 ASN 16 1HB ASN 16 -4.292 6.030 4.285 86 HB3 ASN 16 2HB ASN 16 -2.806 6.950 4.073 87 HD21 ASN 16 1HD2 ASN 16 -3.368 7.990 6.061 88 HD22 ASN 16 2HD2 ASN 16 -4.503 9.293 6.065 89 H GLU 17 H GLU 17 -1.722 7.336 1.418 90 HA GLU 17 HA GLU 17 -1.738 10.136 1.360 91 HB2 GLU 17 1HB GLU 17 -0.085 8.082 -0.093 92 HB3 GLU 17 2HB GLU 17 0.171 9.806 -0.325 93 HG2 GLU 17 1HG GLU 17 1.734 8.982 1.293 94 HG3 GLU 17 2HG GLU 17 0.575 10.043 2.094 95 H CYS 18 H CYS 18 -1.979 7.893 -1.406 96 HA CYS 18 HA CYS 18 -3.324 10.032 -2.913 97 HB2 CYS 18 1HB CYS 18 -2.641 8.851 -4.937 98 HB3 CYS 18 2HB CYS 18 -1.242 9.177 -3.919 99 H GLY 19 H GLY 19 -3.450 6.548 -2.232 100 HA2 GLY 19 1HA GLY 19 -5.605 5.583 -1.629 101 HA3 GLY 19 2HA GLY 19 -6.343 6.656 -2.809 102 H LYS 20 H LYS 20 -4.728 3.652 -2.285 103 HA LYS 20 HA LYS 20 -5.545 2.748 -4.917 104 HB2 LYS 20 1HB LYS 20 -3.263 3.655 -5.266 105 HB3 LYS 20 2HB LYS 20 -2.657 2.547 -4.042 106 HG2 LYS 20 1HG LYS 20 -2.892 0.706 -5.394 107 HG3 LYS 20 2HG LYS 20 -4.152 1.456 -6.377 108 HD2 LYS 20 1HD LYS 20 -2.636 2.647 -7.647 109 HD3 LYS 20 2HD LYS 20 -1.395 2.606 -6.392 110 HE2 LYS 20 1HE LYS 20 -1.480 0.021 -6.846 111 HE3 LYS 20 2HE LYS 20 -2.150 0.529 -8.395 112 HZ1 LYS 20 3HZ LYS 20 0.540 0.928 -7.312 113 HZ2 LYS 20 1HZ LYS 20 -0.088 2.125 -8.330 114 HZ3 LYS 20 2HZ LYS 20 0.057 0.534 -8.885 115 H ALA 21 H ALA 21 -6.236 0.697 -4.852 116 HA ALA 21 HA ALA 21 -6.026 -0.745 -2.340 117 HB1 ALA 21 3HB ALA 21 -7.864 -0.698 -4.580 118 HB2 ALA 21 1HB ALA 21 -7.443 -2.343 -4.101 119 HB3 ALA 21 2HB ALA 21 -8.122 -1.225 -2.917 120 H PHE 22 H PHE 22 -4.613 -2.315 -1.958 121 HA PHE 22 HA PHE 22 -3.324 -3.631 -4.259 122 HB2 PHE 22 1HB PHE 22 -2.042 -3.141 -1.567 123 HB3 PHE 22 2HB PHE 22 -1.265 -3.752 -3.025 124 HD1 PHE 22 HD1 PHE 22 -2.690 -0.782 -1.399 125 HD2 PHE 22 HD2 PHE 22 -0.537 -2.279 -4.752 126 HE1 PHE 22 HE1 PHE 22 -2.083 1.517 -2.031 127 HE2 PHE 22 HE2 PHE 22 0.074 0.018 -5.389 128 HZ PHE 22 HZ PHE 22 -0.698 1.919 -4.027 129 H THR 23 H THR 23 -3.298 -5.805 -4.293 130 HA THR 23 HA THR 23 -5.029 -7.312 -2.736 131 HB THR 23 HB THR 23 -2.570 -8.371 -4.140 132 HG1 THR 23 HG1 THR 23 -3.568 -7.814 -5.911 133 HG21 THR 23 3HG2 THR 23 -3.285 -10.360 -3.436 134 HG22 THR 23 1HG2 THR 23 -4.765 -10.117 -4.362 135 HG23 THR 23 2HG2 THR 23 -4.694 -9.625 -2.670 136 H ARG 24 H ARG 24 -1.474 -7.152 -2.503 137 HA ARG 24 HA ARG 24 -1.693 -8.246 0.223 138 HB2 ARG 24 1HB ARG 24 0.585 -8.347 -1.757 139 HB3 ARG 24 2HB ARG 24 0.730 -8.850 -0.078 140 HG2 ARG 24 1HG ARG 24 -1.254 -10.041 -1.998 141 HG3 ARG 24 2HG ARG 24 0.362 -10.697 -1.725 142 HD2 ARG 24 1HD ARG 24 -1.361 -10.177 0.641 143 HD3 ARG 24 2HD ARG 24 -1.750 -11.561 -0.379 144 HE ARG 24 HE ARG 24 0.557 -11.251 1.339 145 HH11 ARG 24 1HH1 ARG 24 -0.903 -12.994 -1.297 146 HH12 ARG 24 2HH1 ARG 24 0.094 -14.396 -1.094 147 HH21 ARG 24 1HH2 ARG 24 1.876 -13.091 1.617 148 HH22 ARG 24 2HH2 ARG 24 1.674 -14.451 0.564 149 H ILE 25 H ILE 25 -0.184 -7.414 1.822 150 HA ILE 25 HA ILE 25 -0.130 -4.574 1.846 151 HB ILE 25 HB ILE 25 -0.364 -5.847 3.914 152 HG12 ILE 25 1HG1 ILE 25 1.690 -4.733 5.136 153 HG13 ILE 25 2HG1 ILE 25 1.949 -3.980 3.567 154 HG21 ILE 25 1HG2 ILE 25 2.449 -6.771 3.346 155 HG22 ILE 25 2HG2 ILE 25 1.603 -7.007 4.875 156 HG23 ILE 25 3HG2 ILE 25 0.995 -7.768 3.405 157 HD11 ILE 25 3HD1 ILE 25 -0.646 -3.452 3.863 158 HD12 ILE 25 1HD1 ILE 25 -0.177 -3.534 5.561 159 HD13 ILE 25 2HD1 ILE 25 0.627 -2.398 4.477 160 H PHE 26 H PHE 26 2.291 -7.059 1.241 161 HA PHE 26 HA PHE 26 4.653 -5.752 1.391 162 HB2 PHE 26 1HB PHE 26 4.065 -7.333 -1.093 163 HB3 PHE 26 2HB PHE 26 5.538 -7.292 -0.129 164 HD1 PHE 26 HD1 PHE 26 4.703 -7.851 2.544 165 HD2 PHE 26 HD2 PHE 26 3.232 -9.470 -1.108 166 HE1 PHE 26 HE1 PHE 26 3.978 -9.877 3.738 167 HE2 PHE 26 HE2 PHE 26 2.504 -11.498 0.081 168 HZ PHE 26 HZ PHE 26 2.876 -11.703 2.506 169 H HIS 27 H HIS 27 2.679 -5.774 -1.583 170 HA HIS 27 HA HIS 27 4.154 -3.902 -3.006 171 HB2 HIS 27 1HB HIS 27 2.230 -5.379 -3.820 172 HB3 HIS 27 2HB HIS 27 1.154 -4.130 -3.202 173 HD2 HIS 27 HD2 HIS 27 2.906 -4.990 -6.404 174 HE1 HIS 27 HE1 HIS 27 2.160 -0.818 -6.599 175 HE2 HIS 27 HE2 HIS 27 2.759 -2.887 -7.904 176 H LEU 28 H LEU 28 1.406 -3.392 -0.822 177 HA LEU 28 HA LEU 28 1.077 -0.656 -1.176 178 HB2 LEU 28 1HB LEU 28 -0.562 -1.812 0.051 179 HB3 LEU 28 2HB LEU 28 0.625 -2.457 1.183 180 HG LEU 28 HG LEU 28 0.930 -0.174 2.097 181 HD11 LEU 28 1HD1 LEU 28 0.323 1.207 0.268 182 HD12 LEU 28 2HD1 LEU 28 -0.870 1.486 1.535 183 HD13 LEU 28 3HD1 LEU 28 -1.275 0.469 0.153 184 HD21 LEU 28 3HD2 LEU 28 -1.948 -0.453 2.408 185 HD22 LEU 28 1HD2 LEU 28 -0.658 -0.616 3.599 186 HD23 LEU 28 2HD2 LEU 28 -1.091 -1.986 2.576 187 H THR 29 H THR 29 3.216 -2.395 1.054 188 HA THR 29 HA THR 29 4.240 -0.170 2.412 189 HB THR 29 HB THR 29 5.607 -2.803 1.823 190 HG1 THR 29 HG1 THR 29 4.745 -3.438 3.779 191 HG21 THR 29 3HG2 THR 29 6.228 -0.709 3.909 192 HG22 THR 29 1HG2 THR 29 7.209 -1.075 2.491 193 HG23 THR 29 2HG2 THR 29 7.011 -2.281 3.762 194 H ARG 30 H ARG 30 5.378 -1.814 -0.518 195 HA ARG 30 HA ARG 30 7.675 -0.178 -0.860 196 HB2 ARG 30 1HB ARG 30 6.195 -1.733 -2.986 197 HB3 ARG 30 2HB ARG 30 7.869 -1.200 -3.038 198 HG2 ARG 30 1HG ARG 30 8.441 -2.707 -1.233 199 HG3 ARG 30 2HG ARG 30 6.752 -3.196 -1.081 200 HD2 ARG 30 1HD ARG 30 6.772 -4.310 -3.142 201 HD3 ARG 30 2HD ARG 30 8.243 -3.493 -3.667 202 HE ARG 30 HE ARG 30 8.725 -5.068 -1.357 203 HH11 ARG 30 1HH1 ARG 30 8.216 -5.289 -4.794 204 HH12 ARG 30 2HH1 ARG 30 9.112 -6.761 -4.964 205 HH21 ARG 30 1HH2 ARG 30 9.908 -7.006 -1.568 206 HH22 ARG 30 2HH2 ARG 30 10.074 -7.738 -3.128 207 H HIS 31 H HIS 31 4.354 -0.003 -2.004 208 HA HIS 31 HA HIS 31 4.701 2.032 -3.914 209 HB2 HIS 31 1HB HIS 31 2.653 0.940 -4.075 210 HB3 HIS 31 2HB HIS 31 2.363 1.011 -2.340 211 HD1 HIS 31 HD1 HIS 31 2.273 3.211 -5.409 212 HD2 HIS 31 HD2 HIS 31 0.897 3.170 -1.489 213 HE1 HIS 31 HE1 HIS 31 0.708 5.170 -5.226 214 H GLN 32 H GLN 32 3.546 2.253 -0.546 215 HA GLN 32 HA GLN 32 3.182 4.922 -0.263 216 HB2 GLN 32 1HB GLN 32 4.454 2.983 1.665 217 HB3 GLN 32 2HB GLN 32 4.048 4.635 2.109 218 HG2 GLN 32 1HG GLN 32 1.691 4.158 1.484 219 HG3 GLN 32 2HG GLN 32 2.150 2.475 1.229 220 HE21 GLN 32 1HE2 GLN 32 0.473 4.137 3.247 221 HE22 GLN 32 2HE2 GLN 32 0.920 3.449 4.767 222 H LYS 33 H LYS 33 6.178 3.318 -0.840 223 HA LYS 33 HA LYS 33 8.069 5.043 0.162 224 HB2 LYS 33 1HB LYS 33 8.094 3.597 -2.493 225 HB3 LYS 33 2HB LYS 33 9.505 4.334 -1.745 226 HG2 LYS 33 1HG LYS 33 7.878 2.191 -0.406 227 HG3 LYS 33 2HG LYS 33 9.263 1.848 -1.446 228 HD2 LYS 33 1HD LYS 33 10.727 3.085 0.015 229 HD3 LYS 33 2HD LYS 33 9.360 3.611 1.001 230 HE2 LYS 33 1HE LYS 33 8.920 1.122 1.390 231 HE3 LYS 33 2HE LYS 33 10.537 0.859 0.738 232 HZ1 LYS 33 3HZ LYS 33 10.014 1.307 3.321 233 HZ2 LYS 33 1HZ LYS 33 10.363 2.879 2.803 234 HZ3 LYS 33 2HZ LYS 33 11.500 1.646 2.587 235 H ILE 34 H ILE 34 6.416 5.282 -2.981 236 HA ILE 34 HA ILE 34 7.636 7.528 -3.996 237 HB ILE 34 HB ILE 34 5.659 7.927 -5.316 238 HG12 ILE 34 1HG1 ILE 34 4.087 5.846 -3.865 239 HG13 ILE 34 2HG1 ILE 34 4.183 7.456 -3.160 240 HG21 ILE 34 1HG2 ILE 34 5.160 5.284 -5.741 241 HG22 ILE 34 2HG2 ILE 34 6.536 6.170 -6.397 242 HG23 ILE 34 3HG2 ILE 34 6.719 5.227 -4.918 243 HD11 ILE 34 3HD1 ILE 34 2.614 8.174 -4.534 244 HD12 ILE 34 1HD1 ILE 34 3.575 7.694 -5.932 245 HD13 ILE 34 2HD1 ILE 34 2.467 6.542 -5.187 246 H HIS 35 H HIS 35 5.465 7.293 -1.321 247 HA HIS 35 HA HIS 35 4.958 10.165 -1.283 248 HB2 HIS 35 1HB HIS 35 4.015 7.993 0.600 249 HB3 HIS 35 2HB HIS 35 3.488 9.673 0.623 250 HD1 HIS 35 HD1 HIS 35 2.689 10.289 -2.139 251 HD2 HIS 35 HD2 HIS 35 2.023 6.539 -0.480 252 HE1 HIS 35 HE1 HIS 35 0.830 9.274 -3.495 253 H THR 36 H THR 36 7.645 9.488 -0.991 254 HA THR 36 HA THR 36 8.196 9.816 1.872 255 HB THR 36 HB THR 36 9.432 8.016 0.781 256 HG1 THR 36 HG1 THR 36 11.551 8.769 1.382 257 HG21 THR 36 3HG2 THR 36 9.633 9.855 -1.349 258 HG22 THR 36 1HG2 THR 36 10.248 8.204 -1.284 259 HG23 THR 36 2HG2 THR 36 11.276 9.549 -0.786 260 H ARG 37 H ARG 37 8.075 11.918 2.409 261 HA ARG 37 HA ARG 37 8.341 14.163 0.930 262 HB2 ARG 37 1HB ARG 37 8.757 15.368 2.911 263 HB3 ARG 37 2HB ARG 37 7.851 13.952 3.426 264 HG2 ARG 37 1HG ARG 37 10.844 13.988 3.500 265 HG3 ARG 37 2HG ARG 37 9.880 14.671 4.811 266 HD2 ARG 37 1HD ARG 37 8.798 12.550 5.182 267 HD3 ARG 37 2HD ARG 37 9.605 11.852 3.779 268 HE ARG 37 HE ARG 37 11.500 11.569 5.042 269 HH11 ARG 37 1HH1 ARG 37 9.284 13.661 6.724 270 HH12 ARG 37 2HH1 ARG 37 10.190 13.651 8.200 271 HH21 ARG 37 1HH2 ARG 37 12.703 11.547 6.981 272 HH22 ARG 37 2HH2 ARG 37 12.135 12.449 8.345 273 H LYS 38 H LYS 38 10.038 15.683 0.525 274 HA LYS 38 HA LYS 38 12.566 14.362 -0.087 275 HB2 LYS 38 1HB LYS 38 11.584 17.119 -0.849 276 HB3 LYS 38 2HB LYS 38 13.038 16.338 -1.454 277 HG2 LYS 38 1HG LYS 38 10.264 15.246 -1.855 278 HG3 LYS 38 2HG LYS 38 11.093 16.290 -3.012 279 HD2 LYS 38 1HD LYS 38 12.463 13.826 -2.033 280 HD3 LYS 38 2HD LYS 38 11.193 13.678 -3.251 281 HE2 LYS 38 1HE LYS 38 12.515 15.569 -4.459 282 HE3 LYS 38 2HE LYS 38 13.847 15.046 -3.429 283 HZ1 LYS 38 3HZ LYS 38 14.212 13.350 -4.782 284 HZ2 LYS 38 1HZ LYS 38 12.991 13.905 -5.814 285 HZ3 LYS 38 2HZ LYS 38 12.626 12.793 -4.593 286 H SER 39 H SER 39 14.501 14.887 0.802 287 HA SER 39 HA SER 39 14.422 16.646 3.141 288 HB2 SER 39 1HB SER 39 16.507 15.552 3.809 289 HB3 SER 39 2HB SER 39 15.272 14.346 3.451 290 HG SER 39 HG SER 39 17.598 14.997 2.042 291 H GLY 40 H GLY 40 15.387 18.574 3.174 292 HA2 GLY 40 1HA GLY 40 17.534 19.743 2.565 293 HA3 GLY 40 2HA GLY 40 17.176 19.242 0.919 294 HA PRO 41 HA PRO 41 14.806 22.848 0.175 295 HB2 PRO 41 1HB PRO 41 12.592 21.937 -1.105 296 HB3 PRO 41 2HB PRO 41 14.193 21.962 -1.854 297 HG2 PRO 41 1HG PRO 41 12.738 19.684 -0.568 298 HG3 PRO 41 2HG PRO 41 13.678 19.705 -2.071 299 HD2 PRO 41 1HD PRO 41 14.678 18.753 0.258 300 HD3 PRO 41 2HD PRO 41 15.693 19.548 -0.962 301 H SER 42 H SER 42 13.816 20.660 2.438 302 HA SER 42 HA SER 42 11.173 21.290 3.018 303 HB2 SER 42 1HB SER 42 12.435 19.460 4.105 304 HB3 SER 42 2HB SER 42 13.372 20.655 5.001 305 HG SER 42 HG SER 42 11.823 20.516 6.407 306 H SER 43 H SER 43 10.339 22.591 4.830 307 HA SER 43 HA SER 43 11.844 25.110 5.113 308 HB2 SER 43 1HB SER 43 9.701 26.283 5.215 309 HB3 SER 43 2HB SER 43 9.809 25.345 3.726 310 HG SER 43 HG SER 43 8.719 23.681 5.283 311 H GLY 44 H GLY 44 9.916 22.662 6.695 312 HA2 GLY 44 1HA GLY 44 10.315 22.079 8.979 313 HA3 GLY 44 2HA GLY 44 10.794 23.742 9.284 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -26.339 -11.562 22.526 2 HA2 GLY 1 1HA GLY 1 -26.205 -8.771 21.912 3 HA3 GLY 1 2HA GLY 1 -24.794 -9.306 22.813 4 H SER 2 H SER 2 -26.292 -9.130 19.766 5 HA SER 2 HA SER 2 -23.987 -10.467 18.558 6 HB2 SER 2 1HB SER 2 -26.870 -11.079 17.868 7 HB3 SER 2 2HB SER 2 -25.481 -11.617 16.924 8 HG SER 2 HG SER 2 -24.751 -12.663 18.893 9 H SER 3 H SER 3 -23.096 -9.165 17.113 10 HA SER 3 HA SER 3 -24.699 -7.649 15.256 11 HB2 SER 3 1HB SER 3 -24.428 -6.278 17.458 12 HB3 SER 3 2HB SER 3 -22.774 -6.028 16.899 13 HG SER 3 HG SER 3 -24.616 -4.502 16.255 14 H GLY 4 H GLY 4 -23.515 -6.881 13.471 15 HA2 GLY 4 1HA GLY 4 -20.932 -6.526 12.963 16 HA3 GLY 4 2HA GLY 4 -20.983 -8.278 13.095 17 H SER 5 H SER 5 -23.222 -5.927 11.634 18 HA SER 5 HA SER 5 -23.703 -7.597 9.382 19 HB2 SER 5 1HB SER 5 -25.081 -5.792 8.554 20 HB3 SER 5 2HB SER 5 -25.338 -5.932 10.294 21 HG SER 5 HG SER 5 -23.444 -4.140 9.204 22 H SER 6 H SER 6 -22.415 -7.894 7.701 23 HA SER 6 HA SER 6 -21.107 -5.694 6.396 24 HB2 SER 6 1HB SER 6 -18.819 -6.596 6.594 25 HB3 SER 6 2HB SER 6 -19.475 -6.149 8.169 26 HG SER 6 HG SER 6 -20.165 -8.574 8.011 27 H GLY 7 H GLY 7 -20.882 -6.090 4.267 28 HA2 GLY 7 1HA GLY 7 -22.152 -8.032 2.900 29 HA3 GLY 7 2HA GLY 7 -20.681 -7.288 2.293 30 H THR 8 H THR 8 -18.652 -8.251 3.558 31 HA THR 8 HA THR 8 -18.788 -11.006 4.263 32 HB THR 8 HB THR 8 -19.100 -11.183 1.794 33 HG1 THR 8 HG1 THR 8 -16.646 -12.213 2.824 34 HG21 THR 8 3HG2 THR 8 -17.298 -9.177 1.590 35 HG22 THR 8 1HG2 THR 8 -17.680 -10.290 0.276 36 HG23 THR 8 2HG2 THR 8 -16.260 -10.569 1.285 37 H ASP 9 H ASP 9 -16.892 -11.734 5.176 38 HA ASP 9 HA ASP 9 -14.980 -9.715 5.887 39 HB2 ASP 9 1HB ASP 9 -13.860 -11.783 7.010 40 HB3 ASP 9 2HB ASP 9 -15.390 -11.183 7.644 41 H SER 10 H SER 10 -13.047 -9.319 5.012 42 HA SER 10 HA SER 10 -11.506 -11.288 3.638 43 HB2 SER 10 1HB SER 10 -13.045 -10.902 1.825 44 HB3 SER 10 2HB SER 10 -12.893 -9.154 2.002 45 HG SER 10 HG SER 10 -11.433 -10.765 0.501 46 H LYS 11 H LYS 11 -9.446 -10.451 2.893 47 HA LYS 11 HA LYS 11 -8.626 -8.127 4.468 48 HB2 LYS 11 1HB LYS 11 -6.369 -8.935 4.217 49 HB3 LYS 11 2HB LYS 11 -7.395 -10.273 4.716 50 HG2 LYS 11 1HG LYS 11 -6.216 -11.307 3.079 51 HG3 LYS 11 2HG LYS 11 -7.538 -10.661 2.103 52 HD2 LYS 11 1HD LYS 11 -6.224 -9.008 1.178 53 HD3 LYS 11 2HD LYS 11 -5.092 -9.004 2.533 54 HE2 LYS 11 1HE LYS 11 -5.339 -11.397 0.749 55 HE3 LYS 11 2HE LYS 11 -4.349 -10.019 0.271 56 HZ1 LYS 11 3HZ LYS 11 -3.185 -11.870 1.496 57 HZ2 LYS 11 1HZ LYS 11 -4.018 -11.375 2.882 58 HZ3 LYS 11 2HZ LYS 11 -2.949 -10.313 2.114 59 H SER 12 H SER 12 -7.681 -6.324 3.599 60 HA SER 12 HA SER 12 -6.826 -6.120 0.901 61 HB2 SER 12 1HB SER 12 -8.558 -4.769 -0.048 62 HB3 SER 12 2HB SER 12 -9.343 -6.194 0.634 63 HG SER 12 HG SER 12 -10.542 -4.614 1.453 64 H TYR 13 H TYR 13 -5.407 -4.500 0.775 65 HA TYR 13 HA TYR 13 -5.469 -2.453 2.891 66 HB2 TYR 13 1HB TYR 13 -3.081 -3.402 1.295 67 HB3 TYR 13 2HB TYR 13 -3.057 -2.267 2.641 68 HD1 TYR 13 HD2 TYR 13 -3.721 -3.111 4.938 69 HD2 TYR 13 HD1 TYR 13 -2.945 -5.720 1.668 70 HE1 TYR 13 HE2 TYR 13 -3.400 -4.975 6.509 71 HE2 TYR 13 HE1 TYR 13 -2.624 -7.592 3.230 72 HH TYR 13 HH TYR 13 -3.055 -7.161 6.727 73 H ASN 14 H ASN 14 -5.210 -0.304 2.369 74 HA ASN 14 HA ASN 14 -4.960 0.402 -0.463 75 HB2 ASN 14 1HB ASN 14 -7.032 1.754 1.249 76 HB3 ASN 14 2HB ASN 14 -6.891 1.741 -0.507 77 HD21 ASN 14 1HD2 ASN 14 -9.141 1.050 1.237 78 HD22 ASN 14 2HD2 ASN 14 -9.583 -0.566 0.815 79 H CYS 15 H CYS 15 -3.898 2.295 -0.856 80 HA CYS 15 HA CYS 15 -2.358 3.395 1.292 81 HB2 CYS 15 1HB CYS 15 -1.535 3.105 -1.069 82 HB3 CYS 15 2HB CYS 15 -2.590 4.434 -1.537 83 H ASN 16 H ASN 16 -3.113 4.841 2.679 84 HA ASN 16 HA ASN 16 -5.387 6.503 2.006 85 HB2 ASN 16 1HB ASN 16 -5.081 5.372 4.248 86 HB3 ASN 16 2HB ASN 16 -3.785 6.521 4.568 87 HD21 ASN 16 1HD2 ASN 16 -4.368 8.208 5.706 88 HD22 ASN 16 2HD2 ASN 16 -5.941 8.922 5.748 89 H GLU 17 H GLU 17 -2.907 6.975 0.576 90 HA GLU 17 HA GLU 17 -2.384 9.742 1.447 91 HB2 GLU 17 1HB GLU 17 -0.463 7.838 0.095 92 HB3 GLU 17 2HB GLU 17 -0.126 9.522 0.471 93 HG2 GLU 17 1HG GLU 17 -0.971 7.737 2.686 94 HG3 GLU 17 2HG GLU 17 0.659 7.556 2.041 95 H CYS 18 H CYS 18 -2.979 7.541 -1.198 96 HA CYS 18 HA CYS 18 -3.434 9.860 -2.953 97 HB2 CYS 18 1HB CYS 18 -2.695 8.396 -4.863 98 HB3 CYS 18 2HB CYS 18 -1.412 8.855 -3.748 99 H GLY 19 H GLY 19 -4.144 6.412 -2.434 100 HA2 GLY 19 1HA GLY 19 -6.566 5.902 -2.173 101 HA3 GLY 19 2HA GLY 19 -6.819 6.908 -3.591 102 H LYS 20 H LYS 20 -4.397 4.392 -2.934 103 HA LYS 20 HA LYS 20 -5.432 2.931 -5.276 104 HB2 LYS 20 1HB LYS 20 -3.075 4.088 -5.334 105 HB3 LYS 20 2HB LYS 20 -2.583 2.690 -4.386 106 HG2 LYS 20 1HG LYS 20 -3.501 1.236 -6.194 107 HG3 LYS 20 2HG LYS 20 -3.762 2.694 -7.154 108 HD2 LYS 20 1HD LYS 20 -1.265 3.164 -6.714 109 HD3 LYS 20 2HD LYS 20 -1.178 1.461 -6.256 110 HE2 LYS 20 1HE LYS 20 -2.398 2.312 -8.860 111 HE3 LYS 20 2HE LYS 20 -0.654 2.114 -8.694 112 HZ1 LYS 20 3HZ LYS 20 -0.830 -0.120 -8.528 113 HZ2 LYS 20 1HZ LYS 20 -2.246 0.143 -9.415 114 HZ3 LYS 20 2HZ LYS 20 -2.327 -0.074 -7.740 115 H ALA 21 H ALA 21 -6.093 0.915 -4.925 116 HA ALA 21 HA ALA 21 -5.610 -0.279 -2.303 117 HB1 ALA 21 3HB ALA 21 -7.851 -0.150 -3.941 118 HB2 ALA 21 1HB ALA 21 -7.314 -1.827 -4.049 119 HB3 ALA 21 2HB ALA 21 -7.665 -1.112 -2.475 120 H PHE 22 H PHE 22 -4.647 -2.259 -1.994 121 HA PHE 22 HA PHE 22 -3.446 -3.530 -4.362 122 HB2 PHE 22 1HB PHE 22 -2.096 -3.137 -1.683 123 HB3 PHE 22 2HB PHE 22 -1.403 -3.949 -3.083 124 HD1 PHE 22 HD1 PHE 22 -2.776 -0.671 -1.992 125 HD2 PHE 22 HD2 PHE 22 -0.138 -2.751 -4.606 126 HE1 PHE 22 HE1 PHE 22 -1.871 1.477 -2.782 127 HE2 PHE 22 HE2 PHE 22 0.772 -0.607 -5.399 128 HZ PHE 22 HZ PHE 22 -0.094 1.510 -4.486 129 H THR 23 H THR 23 -3.021 -5.789 -4.175 130 HA THR 23 HA THR 23 -4.992 -7.150 -2.552 131 HB THR 23 HB THR 23 -4.118 -9.209 -3.737 132 HG1 THR 23 HG1 THR 23 -2.832 -7.435 -5.513 133 HG21 THR 23 3HG2 THR 23 -5.642 -6.994 -4.775 134 HG22 THR 23 1HG2 THR 23 -5.883 -8.725 -5.012 135 HG23 THR 23 2HG2 THR 23 -4.799 -7.831 -6.078 136 H ARG 24 H ARG 24 -1.465 -7.055 -2.849 137 HA ARG 24 HA ARG 24 -1.137 -8.902 -0.635 138 HB2 ARG 24 1HB ARG 24 0.743 -7.509 -2.516 139 HB3 ARG 24 2HB ARG 24 1.350 -8.269 -1.051 140 HG2 ARG 24 1HG ARG 24 1.606 -9.990 -2.514 141 HG3 ARG 24 2HG ARG 24 -0.035 -10.322 -1.956 142 HD2 ARG 24 1HD ARG 24 -0.980 -9.321 -3.902 143 HD3 ARG 24 2HD ARG 24 0.586 -8.687 -4.406 144 HE ARG 24 HE ARG 24 1.059 -10.717 -5.344 145 HH11 ARG 24 1HH1 ARG 24 -1.593 -11.089 -3.119 146 HH12 ARG 24 2HH1 ARG 24 -1.910 -12.732 -3.569 147 HH21 ARG 24 1HH2 ARG 24 0.652 -12.879 -5.944 148 HH22 ARG 24 2HH2 ARG 24 -0.632 -13.750 -5.174 149 H ILE 25 H ILE 25 0.874 -8.074 0.843 150 HA ILE 25 HA ILE 25 -0.105 -5.576 2.051 151 HB ILE 25 HB ILE 25 -0.309 -7.404 3.583 152 HG12 ILE 25 1HG1 ILE 25 1.330 -6.693 5.380 153 HG13 ILE 25 2HG1 ILE 25 2.067 -5.635 4.181 154 HG21 ILE 25 1HG2 ILE 25 2.597 -7.973 3.014 155 HG22 ILE 25 2HG2 ILE 25 1.633 -8.767 4.259 156 HG23 ILE 25 3HG2 ILE 25 1.218 -8.972 2.557 157 HD11 ILE 25 3HD1 ILE 25 -0.256 -5.215 5.806 158 HD12 ILE 25 1HD1 ILE 25 0.621 -4.077 4.784 159 HD13 ILE 25 2HD1 ILE 25 -0.665 -5.070 4.097 160 H PHE 26 H PHE 26 2.696 -7.202 0.772 161 HA PHE 26 HA PHE 26 4.537 -5.166 1.693 162 HB2 PHE 26 1HB PHE 26 6.103 -6.517 0.090 163 HB3 PHE 26 2HB PHE 26 5.600 -7.226 1.620 164 HD1 PHE 26 HD1 PHE 26 3.804 -8.937 1.650 165 HD2 PHE 26 HD2 PHE 26 5.488 -7.481 -1.977 166 HE1 PHE 26 HE1 PHE 26 2.895 -10.884 0.451 167 HE2 PHE 26 HE2 PHE 26 4.582 -9.424 -3.182 168 HZ PHE 26 HZ PHE 26 3.283 -11.129 -1.969 169 H HIS 27 H HIS 27 2.752 -5.967 -1.193 170 HA HIS 27 HA HIS 27 4.183 -4.384 -3.033 171 HB2 HIS 27 1HB HIS 27 1.476 -5.619 -2.942 172 HB3 HIS 27 2HB HIS 27 1.751 -4.349 -4.131 173 HD2 HIS 27 HD2 HIS 27 4.956 -6.276 -3.832 174 HE1 HIS 27 HE1 HIS 27 2.760 -8.186 -6.919 175 HE2 HIS 27 HE2 HIS 27 4.977 -8.028 -5.735 176 H LEU 28 H LEU 28 1.883 -3.596 -0.573 177 HA LEU 28 HA LEU 28 1.277 -0.982 -1.649 178 HB2 LEU 28 1HB LEU 28 -0.522 -1.816 -0.480 179 HB3 LEU 28 2HB LEU 28 0.491 -2.533 0.771 180 HG LEU 28 HG LEU 28 0.883 -0.311 1.724 181 HD11 LEU 28 1HD1 LEU 28 0.182 1.639 0.811 182 HD12 LEU 28 2HD1 LEU 28 -1.242 0.912 0.068 183 HD13 LEU 28 3HD1 LEU 28 0.342 0.710 -0.679 184 HD21 LEU 28 3HD2 LEU 28 -0.900 -1.472 2.719 185 HD22 LEU 28 1HD2 LEU 28 -1.958 -1.206 1.333 186 HD23 LEU 28 2HD2 LEU 28 -1.533 0.141 2.389 187 H THR 29 H THR 29 3.289 -2.363 0.893 188 HA THR 29 HA THR 29 4.084 0.076 2.077 189 HB THR 29 HB THR 29 5.629 -2.522 2.005 190 HG1 THR 29 HG1 THR 29 4.540 -2.603 4.205 191 HG21 THR 29 3HG2 THR 29 5.755 -0.727 4.340 192 HG22 THR 29 1HG2 THR 29 6.528 -0.123 2.876 193 HG23 THR 29 2HG2 THR 29 7.028 -1.668 3.563 194 H ARG 30 H ARG 30 5.383 -1.830 -0.587 195 HA ARG 30 HA ARG 30 7.777 -0.324 -0.886 196 HB2 ARG 30 1HB ARG 30 8.094 -1.532 -2.931 197 HB3 ARG 30 2HB ARG 30 7.423 -2.647 -1.749 198 HG2 ARG 30 1HG ARG 30 5.406 -2.800 -2.829 199 HG3 ARG 30 2HG ARG 30 5.575 -1.219 -3.596 200 HD2 ARG 30 1HD ARG 30 5.900 -2.680 -5.365 201 HD3 ARG 30 2HD ARG 30 7.549 -2.311 -4.860 202 HE ARG 30 HE ARG 30 7.044 -4.524 -3.453 203 HH11 ARG 30 1HH1 ARG 30 6.510 -3.765 -6.809 204 HH12 ARG 30 2HH1 ARG 30 6.709 -5.400 -7.345 205 HH21 ARG 30 1HH2 ARG 30 7.307 -6.681 -4.147 206 HH22 ARG 30 2HH2 ARG 30 7.161 -7.058 -5.830 207 H HIS 31 H HIS 31 4.547 0.353 -1.603 208 HA HIS 31 HA HIS 31 5.144 2.154 -3.810 209 HB2 HIS 31 1HB HIS 31 3.109 1.170 -4.247 210 HB3 HIS 31 2HB HIS 31 2.660 1.091 -2.546 211 HD1 HIS 31 HD1 HIS 31 2.693 3.442 -5.475 212 HD2 HIS 31 HD2 HIS 31 1.240 3.271 -1.587 213 HE1 HIS 31 HE1 HIS 31 1.134 5.402 -5.254 214 H GLN 32 H GLN 32 3.634 2.405 -0.588 215 HA GLN 32 HA GLN 32 3.255 5.068 -0.342 216 HB2 GLN 32 1HB GLN 32 4.286 3.081 1.665 217 HB3 GLN 32 2HB GLN 32 3.998 4.758 2.109 218 HG2 GLN 32 1HG GLN 32 1.666 4.553 1.504 219 HG3 GLN 32 2HG GLN 32 1.932 2.900 0.953 220 HE21 GLN 32 1HE2 GLN 32 2.227 1.268 2.459 221 HE22 GLN 32 2HE2 GLN 32 1.842 1.471 4.131 222 H LYS 33 H LYS 33 6.301 3.465 -0.616 223 HA LYS 33 HA LYS 33 8.076 5.224 0.534 224 HB2 LYS 33 1HB LYS 33 8.296 3.590 -1.990 225 HB3 LYS 33 2HB LYS 33 9.646 4.519 -1.352 226 HG2 LYS 33 1HG LYS 33 9.359 3.238 0.799 227 HG3 LYS 33 2HG LYS 33 8.237 2.192 -0.075 228 HD2 LYS 33 1HD LYS 33 9.989 1.614 -1.664 229 HD3 LYS 33 2HD LYS 33 11.112 2.700 -0.843 230 HE2 LYS 33 1HE LYS 33 10.510 1.253 1.251 231 HE3 LYS 33 2HE LYS 33 10.021 0.065 0.043 232 HZ1 LYS 33 3HZ LYS 33 12.219 0.101 -0.886 233 HZ2 LYS 33 1HZ LYS 33 12.339 -0.195 0.775 234 HZ3 LYS 33 2HZ LYS 33 12.701 1.339 0.162 235 H ILE 34 H ILE 34 6.564 5.436 -2.663 236 HA ILE 34 HA ILE 34 7.929 7.654 -3.641 237 HB ILE 34 HB ILE 34 6.087 8.001 -5.157 238 HG12 ILE 34 1HG1 ILE 34 4.405 5.926 -3.825 239 HG13 ILE 34 2HG1 ILE 34 4.412 7.550 -3.146 240 HG21 ILE 34 1HG2 ILE 34 6.484 5.064 -4.597 241 HG22 ILE 34 2HG2 ILE 34 5.871 5.750 -6.101 242 HG23 ILE 34 3HG2 ILE 34 7.525 6.086 -5.589 243 HD11 ILE 34 3HD1 ILE 34 4.059 7.978 -5.845 244 HD12 ILE 34 1HD1 ILE 34 3.104 6.532 -5.518 245 HD13 ILE 34 2HD1 ILE 34 2.807 8.011 -4.604 246 H HIS 35 H HIS 35 5.557 7.437 -1.156 247 HA HIS 35 HA HIS 35 4.850 10.245 -1.259 248 HB2 HIS 35 1HB HIS 35 4.140 8.058 0.704 249 HB3 HIS 35 2HB HIS 35 3.534 9.709 0.800 250 HD1 HIS 35 HD1 HIS 35 1.500 10.250 -0.553 251 HD2 HIS 35 HD2 HIS 35 3.228 6.637 -1.659 252 HE1 HIS 35 HE1 HIS 35 -0.110 9.204 -2.177 253 H THR 36 H THR 36 6.924 11.185 -0.968 254 HA THR 36 HA THR 36 8.006 10.921 1.761 255 HB THR 36 HB THR 36 10.126 11.879 0.785 256 HG1 THR 36 HG1 THR 36 10.160 12.385 -1.270 257 HG21 THR 36 3HG2 THR 36 10.117 9.556 1.234 258 HG22 THR 36 1HG2 THR 36 10.733 9.719 -0.410 259 HG23 THR 36 2HG2 THR 36 9.064 9.217 -0.140 260 H ARG 37 H ARG 37 5.794 12.657 0.824 261 HA ARG 37 HA ARG 37 6.997 15.307 1.241 262 HB2 ARG 37 1HB ARG 37 4.486 14.379 -0.103 263 HB3 ARG 37 2HB ARG 37 4.579 16.017 0.531 264 HG2 ARG 37 1HG ARG 37 5.152 16.067 -1.784 265 HG3 ARG 37 2HG ARG 37 6.616 16.371 -0.846 266 HD2 ARG 37 1HD ARG 37 7.205 13.972 -1.093 267 HD3 ARG 37 2HD ARG 37 5.802 13.774 -2.143 268 HE ARG 37 HE ARG 37 8.310 15.055 -2.803 269 HH11 ARG 37 1HH1 ARG 37 4.962 14.600 -3.640 270 HH12 ARG 37 2HH1 ARG 37 5.181 15.048 -5.300 271 HH21 ARG 37 1HH2 ARG 37 8.612 15.646 -4.985 272 HH22 ARG 37 2HH2 ARG 37 7.258 15.642 -6.064 273 H LYS 38 H LYS 38 4.373 13.192 2.326 274 HA LYS 38 HA LYS 38 4.326 14.685 4.858 275 HB2 LYS 38 1HB LYS 38 1.897 13.633 3.396 276 HB3 LYS 38 2HB LYS 38 1.889 14.414 4.972 277 HG2 LYS 38 1HG LYS 38 2.831 15.743 2.442 278 HG3 LYS 38 2HG LYS 38 1.193 15.877 3.085 279 HD2 LYS 38 1HD LYS 38 2.291 16.685 5.244 280 HD3 LYS 38 2HD LYS 38 3.764 16.869 4.287 281 HE2 LYS 38 1HE LYS 38 2.466 18.316 2.718 282 HE3 LYS 38 2HE LYS 38 1.114 18.236 3.845 283 HZ1 LYS 38 3HZ LYS 38 3.785 19.433 4.314 284 HZ2 LYS 38 1HZ LYS 38 2.667 19.153 5.554 285 HZ3 LYS 38 2HZ LYS 38 2.287 20.221 4.298 286 H SER 39 H SER 39 4.814 13.399 6.499 287 HA SER 39 HA SER 39 3.874 10.621 6.468 288 HB2 SER 39 1HB SER 39 6.712 11.545 6.902 289 HB3 SER 39 2HB SER 39 6.135 9.987 7.491 290 HG SER 39 HG SER 39 5.355 9.926 5.091 291 H GLY 40 H GLY 40 3.788 9.627 8.582 292 HA2 GLY 40 1HA GLY 40 3.022 11.552 10.610 293 HA3 GLY 40 2HA GLY 40 2.818 9.809 10.693 294 HA PRO 41 HA PRO 41 6.672 11.464 13.043 295 HB2 PRO 41 1HB PRO 41 5.615 11.871 15.511 296 HB3 PRO 41 2HB PRO 41 5.720 13.144 14.289 297 HG2 PRO 41 1HG PRO 41 3.382 11.435 15.048 298 HG3 PRO 41 2HG PRO 41 3.434 13.176 14.713 299 HD2 PRO 41 1HD PRO 41 2.577 11.365 12.891 300 HD3 PRO 41 2HD PRO 41 3.410 12.863 12.429 301 H SER 42 H SER 42 7.858 9.765 13.617 302 HA SER 42 HA SER 42 6.791 7.237 14.226 303 HB2 SER 42 1HB SER 42 9.532 8.443 14.364 304 HB3 SER 42 2HB SER 42 9.249 6.847 15.058 305 HG SER 42 HG SER 42 9.679 7.435 12.536 306 H SER 43 H SER 43 8.295 9.689 16.313 307 HA SER 43 HA SER 43 8.353 9.934 18.581 308 HB2 SER 43 1HB SER 43 5.560 8.913 18.093 309 HB3 SER 43 2HB SER 43 6.111 9.359 19.708 310 HG SER 43 HG SER 43 5.508 10.954 17.536 311 H GLY 44 H GLY 44 9.643 7.627 17.731 312 HA2 GLY 44 1HA GLY 44 10.620 5.781 18.702 313 HA3 GLY 44 2HA GLY 44 9.693 6.124 20.155 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -18.270 -2.957 18.407 2 HA2 GLY 1 1HA GLY 1 -18.037 -5.526 18.648 3 HA3 GLY 1 2HA GLY 1 -19.423 -4.768 19.417 4 H SER 2 H SER 2 -21.446 -4.713 18.212 5 HA SER 2 HA SER 2 -21.640 -6.900 16.246 6 HB2 SER 2 1HB SER 2 -23.747 -7.583 17.208 7 HB3 SER 2 2HB SER 2 -22.548 -7.518 18.499 8 HG SER 2 HG SER 2 -23.442 -5.647 19.238 9 H SER 3 H SER 3 -22.405 -6.275 14.348 10 HA SER 3 HA SER 3 -24.112 -3.874 14.240 11 HB2 SER 3 1HB SER 3 -21.837 -4.753 12.502 12 HB3 SER 3 2HB SER 3 -23.139 -3.796 11.795 13 HG SER 3 HG SER 3 -22.360 -2.103 12.752 14 H GLY 4 H GLY 4 -23.270 -6.790 12.359 15 HA2 GLY 4 1HA GLY 4 -25.419 -8.244 12.177 16 HA3 GLY 4 2HA GLY 4 -26.016 -6.833 11.316 17 H SER 5 H SER 5 -26.205 -7.554 9.274 18 HA SER 5 HA SER 5 -24.715 -9.452 7.965 19 HB2 SER 5 1HB SER 5 -25.554 -8.549 5.899 20 HB3 SER 5 2HB SER 5 -26.811 -8.346 7.119 21 HG SER 5 HG SER 5 -25.584 -6.166 7.347 22 H SER 6 H SER 6 -22.792 -9.553 6.938 23 HA SER 6 HA SER 6 -21.142 -7.110 6.936 24 HB2 SER 6 1HB SER 6 -20.309 -8.716 8.573 25 HB3 SER 6 2HB SER 6 -20.266 -9.980 7.345 26 HG SER 6 HG SER 6 -18.677 -7.642 7.500 27 H GLY 7 H GLY 7 -19.471 -7.017 5.263 28 HA2 GLY 7 1HA GLY 7 -20.492 -8.154 2.755 29 HA3 GLY 7 2HA GLY 7 -19.437 -6.755 2.894 30 H THR 8 H THR 8 -17.417 -7.083 2.280 31 HA THR 8 HA THR 8 -16.429 -9.678 1.668 32 HB THR 8 HB THR 8 -14.887 -7.084 1.865 33 HG1 THR 8 HG1 THR 8 -16.560 -6.930 0.336 34 HG21 THR 8 3HG2 THR 8 -14.116 -9.806 1.244 35 HG22 THR 8 1HG2 THR 8 -13.107 -8.383 1.498 36 HG23 THR 8 2HG2 THR 8 -13.780 -8.714 -0.098 37 H ASP 9 H ASP 9 -15.470 -11.099 2.957 38 HA ASP 9 HA ASP 9 -14.855 -10.412 5.686 39 HB2 ASP 9 1HB ASP 9 -14.927 -12.931 4.081 40 HB3 ASP 9 2HB ASP 9 -14.011 -12.917 5.585 41 H SER 10 H SER 10 -13.017 -11.519 2.856 42 HA SER 10 HA SER 10 -10.494 -11.519 4.123 43 HB2 SER 10 1HB SER 10 -11.093 -11.150 1.179 44 HB3 SER 10 2HB SER 10 -9.560 -11.671 1.879 45 HG SER 10 HG SER 10 -11.146 -13.373 2.854 46 H LYS 11 H LYS 11 -9.488 -9.818 4.942 47 HA LYS 11 HA LYS 11 -10.125 -7.175 4.699 48 HB2 LYS 11 1HB LYS 11 -8.023 -6.654 5.652 49 HB3 LYS 11 2HB LYS 11 -8.443 -8.245 6.272 50 HG2 LYS 11 1HG LYS 11 -6.743 -8.000 3.830 51 HG3 LYS 11 2HG LYS 11 -6.036 -7.779 5.432 52 HD2 LYS 11 1HD LYS 11 -7.651 -10.196 4.635 53 HD3 LYS 11 2HD LYS 11 -5.892 -10.113 4.520 54 HE2 LYS 11 1HE LYS 11 -5.852 -9.568 6.966 55 HE3 LYS 11 2HE LYS 11 -7.582 -9.903 7.007 56 HZ1 LYS 11 3HZ LYS 11 -5.447 -11.824 6.253 57 HZ2 LYS 11 1HZ LYS 11 -7.106 -12.154 6.221 58 HZ3 LYS 11 2HZ LYS 11 -6.335 -11.833 7.692 59 H SER 12 H SER 12 -8.585 -5.440 3.747 60 HA SER 12 HA SER 12 -7.445 -6.119 1.176 61 HB2 SER 12 1HB SER 12 -9.902 -4.370 1.402 62 HB3 SER 12 2HB SER 12 -8.870 -4.428 -0.026 63 HG SER 12 HG SER 12 -10.425 -5.901 -0.423 64 H TYR 13 H TYR 13 -5.541 -5.140 1.360 65 HA TYR 13 HA TYR 13 -5.163 -2.766 2.914 66 HB2 TYR 13 1HB TYR 13 -3.157 -3.867 0.962 67 HB3 TYR 13 2HB TYR 13 -2.866 -3.012 2.472 68 HD1 TYR 13 HD2 TYR 13 -3.294 -4.186 4.644 69 HD2 TYR 13 HD1 TYR 13 -3.384 -6.226 0.911 70 HE1 TYR 13 HE2 TYR 13 -3.057 -6.333 5.818 71 HE2 TYR 13 HE1 TYR 13 -3.148 -8.379 2.076 72 HH TYR 13 HH TYR 13 -2.084 -8.743 5.070 73 H ASN 14 H ASN 14 -4.664 -0.698 2.218 74 HA ASN 14 HA ASN 14 -4.539 -0.052 -0.584 75 HB2 ASN 14 1HB ASN 14 -6.518 1.626 -0.236 76 HB3 ASN 14 2HB ASN 14 -6.860 -0.053 -0.641 77 HD21 ASN 14 1HD2 ASN 14 -8.859 -0.107 0.291 78 HD22 ASN 14 2HD2 ASN 14 -9.114 -0.015 1.997 79 H CYS 15 H CYS 15 -3.790 2.044 -0.977 80 HA CYS 15 HA CYS 15 -2.281 3.198 1.158 81 HB2 CYS 15 1HB CYS 15 -1.465 3.176 -1.169 82 HB3 CYS 15 2HB CYS 15 -2.787 4.241 -1.638 83 H ASN 16 H ASN 16 -2.746 4.883 2.438 84 HA ASN 16 HA ASN 16 -5.354 6.176 2.076 85 HB2 ASN 16 1HB ASN 16 -4.646 6.998 4.518 86 HB3 ASN 16 2HB ASN 16 -5.407 5.434 4.241 87 HD21 ASN 16 1HD2 ASN 16 -2.936 6.950 5.763 88 HD22 ASN 16 2HD2 ASN 16 -1.857 5.617 5.969 89 H GLU 17 H GLU 17 -2.801 6.860 0.658 90 HA GLU 17 HA GLU 17 -2.584 9.665 1.537 91 HB2 GLU 17 1HB GLU 17 -0.540 7.936 0.136 92 HB3 GLU 17 2HB GLU 17 -0.349 9.658 0.431 93 HG2 GLU 17 1HG GLU 17 -0.782 8.982 2.915 94 HG3 GLU 17 2HG GLU 17 -0.282 7.387 2.354 95 H CYS 18 H CYS 18 -2.593 7.523 -1.290 96 HA CYS 18 HA CYS 18 -3.399 9.821 -2.946 97 HB2 CYS 18 1HB CYS 18 -2.618 8.471 -4.879 98 HB3 CYS 18 2HB CYS 18 -1.334 8.826 -3.729 99 H GLY 19 H GLY 19 -3.997 6.354 -2.421 100 HA2 GLY 19 1HA GLY 19 -6.393 5.765 -2.121 101 HA3 GLY 19 2HA GLY 19 -6.706 6.772 -3.527 102 H LYS 20 H LYS 20 -4.237 4.290 -2.894 103 HA LYS 20 HA LYS 20 -5.204 2.874 -5.291 104 HB2 LYS 20 1HB LYS 20 -2.910 3.935 -5.423 105 HB3 LYS 20 2HB LYS 20 -2.394 2.790 -4.192 106 HG2 LYS 20 1HG LYS 20 -2.959 0.935 -5.677 107 HG3 LYS 20 2HG LYS 20 -3.478 2.083 -6.912 108 HD2 LYS 20 1HD LYS 20 -1.116 3.062 -6.722 109 HD3 LYS 20 2HD LYS 20 -0.710 1.574 -5.863 110 HE2 LYS 20 1HE LYS 20 -1.876 1.740 -8.641 111 HE3 LYS 20 2HE LYS 20 -0.182 1.435 -8.258 112 HZ1 LYS 20 3HZ LYS 20 -0.616 -0.703 -7.944 113 HZ2 LYS 20 1HZ LYS 20 -2.182 -0.438 -8.529 114 HZ3 LYS 20 2HZ LYS 20 -1.877 -0.368 -6.867 115 H ALA 21 H ALA 21 -6.193 1.034 -4.820 116 HA ALA 21 HA ALA 21 -5.732 -0.285 -2.277 117 HB1 ALA 21 3HB ALA 21 -7.498 -1.881 -3.598 118 HB2 ALA 21 1HB ALA 21 -7.941 -0.512 -2.579 119 HB3 ALA 21 2HB ALA 21 -7.824 -0.309 -4.327 120 H PHE 22 H PHE 22 -4.266 -1.824 -2.018 121 HA PHE 22 HA PHE 22 -3.249 -3.232 -4.381 122 HB2 PHE 22 1HB PHE 22 -2.080 -3.083 -1.595 123 HB3 PHE 22 2HB PHE 22 -1.315 -3.808 -3.006 124 HD1 PHE 22 HD1 PHE 22 -2.764 -0.564 -1.878 125 HD2 PHE 22 HD2 PHE 22 0.188 -2.554 -4.211 126 HE1 PHE 22 HE1 PHE 22 -1.744 1.606 -2.431 127 HE2 PHE 22 HE2 PHE 22 1.213 -0.387 -4.767 128 HZ PHE 22 HZ PHE 22 0.248 1.696 -3.876 129 H THR 23 H THR 23 -2.736 -5.538 -4.157 130 HA THR 23 HA THR 23 -4.937 -6.930 -2.865 131 HB THR 23 HB THR 23 -4.031 -8.939 -4.061 132 HG1 THR 23 HG1 THR 23 -1.854 -7.667 -4.220 133 HG21 THR 23 3HG2 THR 23 -5.777 -7.412 -5.013 134 HG22 THR 23 1HG2 THR 23 -4.832 -8.284 -6.220 135 HG23 THR 23 2HG2 THR 23 -4.490 -6.585 -5.891 136 H ARG 24 H ARG 24 -1.465 -6.596 -2.582 137 HA ARG 24 HA ARG 24 -1.480 -8.508 -0.344 138 HB2 ARG 24 1HB ARG 24 0.910 -7.502 -1.895 139 HB3 ARG 24 2HB ARG 24 0.900 -8.778 -0.686 140 HG2 ARG 24 1HG ARG 24 -0.646 -8.938 -3.259 141 HG3 ARG 24 2HG ARG 24 1.004 -9.538 -3.074 142 HD2 ARG 24 1HD ARG 24 -1.216 -10.402 -1.246 143 HD3 ARG 24 2HD ARG 24 -0.910 -11.210 -2.783 144 HE ARG 24 HE ARG 24 0.657 -11.400 -0.379 145 HH11 ARG 24 1HH1 ARG 24 0.668 -11.733 -3.844 146 HH12 ARG 24 2HH1 ARG 24 2.009 -12.830 -3.865 147 HH21 ARG 24 1HH2 ARG 24 2.423 -12.843 -0.393 148 HH22 ARG 24 2HH2 ARG 24 3.006 -13.461 -1.901 149 H ILE 25 H ILE 25 0.568 -7.868 1.153 150 HA ILE 25 HA ILE 25 -0.104 -5.200 2.149 151 HB ILE 25 HB ILE 25 -0.273 -6.968 3.787 152 HG12 ILE 25 1HG1 ILE 25 1.336 -6.104 5.495 153 HG13 ILE 25 2HG1 ILE 25 2.145 -5.201 4.219 154 HG21 ILE 25 1HG2 ILE 25 1.106 -8.708 3.854 155 HG22 ILE 25 2HG2 ILE 25 1.961 -8.024 2.472 156 HG23 ILE 25 3HG2 ILE 25 2.497 -7.655 4.111 157 HD11 ILE 25 3HD1 ILE 25 0.532 -3.630 4.127 158 HD12 ILE 25 1HD1 ILE 25 -0.760 -4.773 4.491 159 HD13 ILE 25 2HD1 ILE 25 0.263 -4.155 5.789 160 H PHE 26 H PHE 26 2.559 -7.067 0.874 161 HA PHE 26 HA PHE 26 4.579 -5.149 1.554 162 HB2 PHE 26 1HB PHE 26 6.073 -6.525 0.233 163 HB3 PHE 26 2HB PHE 26 5.061 -7.567 1.229 164 HD1 PHE 26 HD2 PHE 26 5.320 -6.142 -2.194 165 HD2 PHE 26 HD1 PHE 26 3.874 -9.304 0.261 166 HE1 PHE 26 HE2 PHE 26 4.627 -7.381 -4.203 167 HE2 PHE 26 HE1 PHE 26 3.180 -10.549 -1.745 168 HZ PHE 26 HZ PHE 26 3.555 -9.587 -3.980 169 H HIS 27 H HIS 27 2.737 -5.954 -1.357 170 HA HIS 27 HA HIS 27 4.027 -4.277 -3.168 171 HB2 HIS 27 1HB HIS 27 2.339 -5.977 -3.793 172 HB3 HIS 27 2HB HIS 27 1.081 -4.965 -3.090 173 HD2 HIS 27 HD2 HIS 27 3.681 -3.056 -5.198 174 HE1 HIS 27 HE1 HIS 27 0.204 -3.546 -7.579 175 HE2 HIS 27 HE2 HIS 27 2.481 -2.482 -7.417 176 H LEU 28 H LEU 28 1.833 -3.534 -0.594 177 HA LEU 28 HA LEU 28 1.215 -0.885 -1.568 178 HB2 LEU 28 1HB LEU 28 -0.528 -1.781 -0.336 179 HB3 LEU 28 2HB LEU 28 0.550 -2.464 0.879 180 HG LEU 28 HG LEU 28 0.961 -0.184 1.745 181 HD11 LEU 28 1HD1 LEU 28 -1.239 0.651 -0.137 182 HD12 LEU 28 2HD1 LEU 28 0.472 1.002 -0.375 183 HD13 LEU 28 3HD1 LEU 28 -0.379 1.671 1.017 184 HD21 LEU 28 3HD2 LEU 28 -1.867 -0.073 2.019 185 HD22 LEU 28 1HD2 LEU 28 -0.668 -0.666 3.169 186 HD23 LEU 28 2HD2 LEU 28 -1.376 -1.768 1.987 187 H THR 29 H THR 29 3.257 -2.328 0.933 188 HA THR 29 HA THR 29 4.155 0.069 2.098 189 HB THR 29 HB THR 29 5.649 -2.555 1.921 190 HG1 THR 29 HG1 THR 29 4.069 -3.218 3.160 191 HG21 THR 29 3HG2 THR 29 6.566 -1.690 4.147 192 HG22 THR 29 1HG2 THR 29 5.954 -0.113 3.651 193 HG23 THR 29 2HG2 THR 29 7.175 -0.931 2.677 194 H ARG 30 H ARG 30 5.413 -1.862 -0.585 195 HA ARG 30 HA ARG 30 7.774 -0.334 -0.961 196 HB2 ARG 30 1HB ARG 30 8.085 -1.576 -2.962 197 HB3 ARG 30 2HB ARG 30 7.345 -2.678 -1.808 198 HG2 ARG 30 1HG ARG 30 5.380 -2.791 -2.958 199 HG3 ARG 30 2HG ARG 30 5.563 -1.177 -3.647 200 HD2 ARG 30 1HD ARG 30 5.878 -2.627 -5.458 201 HD3 ARG 30 2HD ARG 30 7.509 -2.158 -4.978 202 HE ARG 30 HE ARG 30 6.731 -4.543 -3.666 203 HH11 ARG 30 1HH1 ARG 30 7.752 -3.316 -6.760 204 HH12 ARG 30 2HH1 ARG 30 8.445 -4.818 -7.274 205 HH21 ARG 30 1HH2 ARG 30 7.640 -6.527 -4.332 206 HH22 ARG 30 2HH2 ARG 30 8.380 -6.644 -5.892 207 H HIS 31 H HIS 31 4.553 0.400 -1.509 208 HA HIS 31 HA HIS 31 5.037 2.133 -3.797 209 HB2 HIS 31 1HB HIS 31 2.952 1.160 -4.035 210 HB3 HIS 31 2HB HIS 31 2.612 1.215 -2.308 211 HD1 HIS 31 HD1 HIS 31 2.745 3.502 -5.320 212 HD2 HIS 31 HD2 HIS 31 1.135 3.367 -1.492 213 HE1 HIS 31 HE1 HIS 31 1.226 5.499 -5.159 214 H GLN 32 H GLN 32 3.926 2.453 -0.430 215 HA GLN 32 HA GLN 32 3.599 5.157 -0.241 216 HB2 GLN 32 1HB GLN 32 4.891 3.360 1.818 217 HB3 GLN 32 2HB GLN 32 4.219 4.953 2.139 218 HG2 GLN 32 1HG GLN 32 2.041 4.234 1.880 219 HG3 GLN 32 2HG GLN 32 2.510 2.829 0.925 220 HE21 GLN 32 1HE2 GLN 32 0.868 2.044 2.637 221 HE22 GLN 32 2HE2 GLN 32 1.565 1.375 4.069 222 H LYS 33 H LYS 33 6.522 3.458 -0.809 223 HA LYS 33 HA LYS 33 8.483 5.091 0.219 224 HB2 LYS 33 1HB LYS 33 8.432 3.655 -2.440 225 HB3 LYS 33 2HB LYS 33 9.876 4.361 -1.728 226 HG2 LYS 33 1HG LYS 33 9.559 2.871 0.238 227 HG3 LYS 33 2HG LYS 33 8.231 2.094 -0.628 228 HD2 LYS 33 1HD LYS 33 9.625 1.069 -2.122 229 HD3 LYS 33 2HD LYS 33 10.846 2.339 -2.020 230 HE2 LYS 33 1HE LYS 33 10.267 0.293 0.120 231 HE3 LYS 33 2HE LYS 33 11.605 0.218 -1.025 232 HZ1 LYS 33 3HZ LYS 33 12.357 2.386 -0.110 233 HZ2 LYS 33 1HZ LYS 33 12.418 1.114 1.004 234 HZ3 LYS 33 2HZ LYS 33 11.171 2.254 1.088 235 H ILE 34 H ILE 34 6.487 5.595 -2.629 236 HA ILE 34 HA ILE 34 7.941 7.888 -3.546 237 HB ILE 34 HB ILE 34 6.165 8.195 -5.147 238 HG12 ILE 34 1HG1 ILE 34 4.587 5.907 -4.057 239 HG13 ILE 34 2HG1 ILE 34 4.421 7.477 -3.278 240 HG21 ILE 34 1HG2 ILE 34 7.385 5.568 -4.699 241 HG22 ILE 34 2HG2 ILE 34 5.986 5.554 -5.770 242 HG23 ILE 34 3HG2 ILE 34 7.370 6.583 -6.141 243 HD11 ILE 34 3HD1 ILE 34 2.693 7.219 -4.910 244 HD12 ILE 34 1HD1 ILE 34 3.826 8.447 -5.473 245 HD13 ILE 34 2HD1 ILE 34 3.872 6.823 -6.160 246 H HIS 35 H HIS 35 5.500 7.327 -1.200 247 HA HIS 35 HA HIS 35 4.547 10.065 -1.184 248 HB2 HIS 35 1HB HIS 35 3.906 7.615 0.443 249 HB3 HIS 35 2HB HIS 35 3.312 9.206 0.911 250 HD1 HIS 35 HD1 HIS 35 2.247 10.424 -1.531 251 HD2 HIS 35 HD2 HIS 35 1.917 6.340 -0.845 252 HE1 HIS 35 HE1 HIS 35 0.333 9.653 -2.969 253 H THR 36 H THR 36 6.196 7.925 1.145 254 HA THR 36 HA THR 36 6.782 9.976 2.999 255 HB THR 36 HB THR 36 6.777 7.550 3.562 256 HG1 THR 36 HG1 THR 36 8.650 7.721 4.924 257 HG21 THR 36 3HG2 THR 36 8.565 6.118 2.970 258 HG22 THR 36 1HG2 THR 36 9.518 7.451 2.319 259 HG23 THR 36 2HG2 THR 36 8.071 6.906 1.471 260 H ARG 37 H ARG 37 8.335 11.470 3.033 261 HA ARG 37 HA ARG 37 10.165 11.671 0.819 262 HB2 ARG 37 1HB ARG 37 8.972 13.615 1.945 263 HB3 ARG 37 2HB ARG 37 10.102 13.417 3.277 264 HG2 ARG 37 1HG ARG 37 10.915 15.157 1.874 265 HG3 ARG 37 2HG ARG 37 11.963 13.754 1.656 266 HD2 ARG 37 1HD ARG 37 10.855 13.193 -0.412 267 HD3 ARG 37 2HD ARG 37 9.678 14.484 -0.170 268 HE ARG 37 HE ARG 37 12.170 15.682 -0.158 269 HH11 ARG 37 1HH1 ARG 37 10.230 13.827 -2.375 270 HH12 ARG 37 2HH1 ARG 37 10.895 14.576 -3.789 271 HH21 ARG 37 1HH2 ARG 37 13.053 16.676 -2.011 272 HH22 ARG 37 2HH2 ARG 37 12.501 16.196 -3.581 273 H LYS 38 H LYS 38 10.744 9.357 2.131 274 HA LYS 38 HA LYS 38 12.461 8.160 3.019 275 HB2 LYS 38 1HB LYS 38 14.199 10.601 2.766 276 HB3 LYS 38 2HB LYS 38 14.660 8.910 2.628 277 HG2 LYS 38 1HG LYS 38 13.962 8.748 0.467 278 HG3 LYS 38 2HG LYS 38 12.713 9.980 0.661 279 HD2 LYS 38 1HD LYS 38 15.660 10.601 0.690 280 HD3 LYS 38 2HD LYS 38 14.682 10.628 -0.780 281 HE2 LYS 38 1HE LYS 38 14.519 12.822 -0.175 282 HE3 LYS 38 2HE LYS 38 13.137 12.174 0.707 283 HZ1 LYS 38 3HZ LYS 38 15.550 12.002 2.222 284 HZ2 LYS 38 1HZ LYS 38 14.067 12.704 2.637 285 HZ3 LYS 38 2HZ LYS 38 15.213 13.597 1.770 286 H SER 39 H SER 39 10.747 9.345 4.849 287 HA SER 39 HA SER 39 11.778 10.899 6.859 288 HB2 SER 39 1HB SER 39 9.867 8.566 7.005 289 HB3 SER 39 2HB SER 39 10.234 9.584 8.398 290 HG SER 39 HG SER 39 8.536 10.589 7.538 291 H GLY 40 H GLY 40 12.452 7.543 6.162 292 HA2 GLY 40 1HA GLY 40 14.020 7.287 8.629 293 HA3 GLY 40 2HA GLY 40 13.570 5.972 7.553 294 HA PRO 41 HA PRO 41 18.022 7.050 6.793 295 HB2 PRO 41 1HB PRO 41 18.907 4.484 6.879 296 HB3 PRO 41 2HB PRO 41 18.749 5.495 8.321 297 HG2 PRO 41 1HG PRO 41 16.892 3.397 7.265 298 HG3 PRO 41 2HG PRO 41 17.406 3.699 8.935 299 HD2 PRO 41 1HD PRO 41 15.014 4.529 7.974 300 HD3 PRO 41 2HD PRO 41 15.908 5.428 9.217 301 H SER 42 H SER 42 15.514 5.508 5.233 302 HA SER 42 HA SER 42 16.347 3.999 3.199 303 HB2 SER 42 1HB SER 42 14.038 4.930 3.460 304 HB3 SER 42 2HB SER 42 14.610 6.435 2.739 305 HG SER 42 HG SER 42 15.339 4.913 0.964 306 H SER 43 H SER 43 18.033 4.051 1.886 307 HA SER 43 HA SER 43 19.832 6.078 1.538 308 HB2 SER 43 1HB SER 43 19.061 3.764 -0.213 309 HB3 SER 43 2HB SER 43 20.268 4.924 -0.765 310 HG SER 43 HG SER 43 20.607 2.889 0.888 311 H GLY 44 H GLY 44 20.100 7.817 0.205 312 HA2 GLY 44 1HA GLY 44 17.733 8.995 -0.889 313 HA3 GLY 44 2HA GLY 44 19.358 9.660 -0.966 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -35.555 -12.360 2.949 2 HA2 GLY 1 1HA GLY 1 -34.335 -13.916 5.145 3 HA3 GLY 1 2HA GLY 1 -33.568 -13.769 3.571 4 H SER 2 H SER 2 -33.939 -12.404 6.659 5 HA SER 2 HA SER 2 -32.468 -9.996 5.807 6 HB2 SER 2 1HB SER 2 -34.575 -10.397 7.901 7 HB3 SER 2 2HB SER 2 -33.377 -9.119 8.107 8 HG SER 2 HG SER 2 -34.631 -9.300 5.628 9 H SER 3 H SER 3 -30.450 -11.035 6.004 10 HA SER 3 HA SER 3 -29.615 -11.480 8.794 11 HB2 SER 3 1HB SER 3 -29.015 -13.112 6.341 12 HB3 SER 3 2HB SER 3 -27.904 -13.109 7.710 13 HG SER 3 HG SER 3 -29.418 -14.044 8.962 14 H GLY 4 H GLY 4 -29.446 -9.002 7.561 15 HA2 GLY 4 1HA GLY 4 -27.936 -7.294 7.283 16 HA3 GLY 4 2HA GLY 4 -26.714 -8.381 7.924 17 H SER 5 H SER 5 -27.435 -6.532 5.350 18 HA SER 5 HA SER 5 -26.164 -8.346 3.412 19 HB2 SER 5 1HB SER 5 -28.117 -6.104 3.148 20 HB3 SER 5 2HB SER 5 -26.990 -6.383 1.820 21 HG SER 5 HG SER 5 -27.815 -8.731 2.295 22 H SER 6 H SER 6 -24.033 -8.003 4.095 23 HA SER 6 HA SER 6 -22.994 -5.273 3.742 24 HB2 SER 6 1HB SER 6 -22.070 -7.610 5.389 25 HB3 SER 6 2HB SER 6 -20.937 -6.337 4.935 26 HG SER 6 HG SER 6 -22.839 -6.324 6.848 27 H GLY 7 H GLY 7 -23.576 -6.771 1.458 28 HA2 GLY 7 1HA GLY 7 -22.627 -7.765 -0.414 29 HA3 GLY 7 2HA GLY 7 -21.501 -6.431 -0.209 30 H THR 8 H THR 8 -19.423 -6.897 0.132 31 HA THR 8 HA THR 8 -18.662 -9.427 1.352 32 HB THR 8 HB THR 8 -17.636 -8.670 -1.390 33 HG1 THR 8 HG1 THR 8 -18.760 -10.877 -1.724 34 HG21 THR 8 3HG2 THR 8 -16.377 -10.673 -1.336 35 HG22 THR 8 1HG2 THR 8 -17.200 -11.241 0.116 36 HG23 THR 8 2HG2 THR 8 -16.080 -9.882 0.212 37 H ASP 9 H ASP 9 -17.159 -8.975 2.808 38 HA ASP 9 HA ASP 9 -15.180 -6.883 2.200 39 HB2 ASP 9 1HB ASP 9 -16.868 -6.013 3.787 40 HB3 ASP 9 2HB ASP 9 -16.492 -7.335 4.889 41 H SER 10 H SER 10 -13.180 -7.642 2.258 42 HA SER 10 HA SER 10 -12.484 -9.726 4.196 43 HB2 SER 10 1HB SER 10 -11.861 -9.864 1.236 44 HB3 SER 10 2HB SER 10 -11.214 -10.960 2.457 45 HG SER 10 HG SER 10 -13.598 -11.270 2.945 46 H LYS 11 H LYS 11 -9.992 -10.111 4.053 47 HA LYS 11 HA LYS 11 -8.704 -7.785 4.854 48 HB2 LYS 11 1HB LYS 11 -6.686 -9.049 4.882 49 HB3 LYS 11 2HB LYS 11 -7.983 -10.158 5.307 50 HG2 LYS 11 1HG LYS 11 -7.963 -11.125 3.119 51 HG3 LYS 11 2HG LYS 11 -6.823 -9.908 2.542 52 HD2 LYS 11 1HD LYS 11 -5.303 -10.806 4.450 53 HD3 LYS 11 2HD LYS 11 -6.357 -12.221 4.384 54 HE2 LYS 11 1HE LYS 11 -5.032 -11.089 1.936 55 HE3 LYS 11 2HE LYS 11 -4.238 -12.276 2.968 56 HZ1 LYS 11 3HZ LYS 11 -6.933 -12.954 2.152 57 HZ2 LYS 11 1HZ LYS 11 -5.546 -13.921 2.225 58 HZ3 LYS 11 2HZ LYS 11 -5.799 -12.905 0.898 59 H SER 12 H SER 12 -7.524 -6.236 3.860 60 HA SER 12 HA SER 12 -6.392 -6.456 1.285 61 HB2 SER 12 1HB SER 12 -9.147 -5.311 1.475 62 HB3 SER 12 2HB SER 12 -8.007 -4.581 0.345 63 HG SER 12 HG SER 12 -8.964 -6.165 -0.803 64 H TYR 13 H TYR 13 -4.772 -5.047 1.224 65 HA TYR 13 HA TYR 13 -4.740 -2.863 3.161 66 HB2 TYR 13 1HB TYR 13 -2.460 -3.643 1.355 67 HB3 TYR 13 2HB TYR 13 -2.395 -2.820 2.909 68 HD1 TYR 13 HD2 TYR 13 -2.814 -4.106 5.001 69 HD2 TYR 13 HD1 TYR 13 -2.474 -6.019 1.216 70 HE1 TYR 13 HE2 TYR 13 -2.438 -6.258 6.129 71 HE2 TYR 13 HE1 TYR 13 -2.098 -8.177 2.334 72 HH TYR 13 HH TYR 13 -1.150 -8.572 5.298 73 H ASN 14 H ASN 14 -5.339 -0.898 2.567 74 HA ASN 14 HA ASN 14 -4.983 -0.106 -0.250 75 HB2 ASN 14 1HB ASN 14 -6.964 1.285 1.499 76 HB3 ASN 14 2HB ASN 14 -7.007 1.001 -0.239 77 HD21 ASN 14 1HD2 ASN 14 -7.224 -1.341 -0.863 78 HD22 ASN 14 2HD2 ASN 14 -8.334 -2.291 0.059 79 H CYS 15 H CYS 15 -4.624 2.212 -0.612 80 HA CYS 15 HA CYS 15 -2.931 3.335 1.512 81 HB2 CYS 15 1HB CYS 15 -1.656 3.036 -0.465 82 HB3 CYS 15 2HB CYS 15 -2.937 3.688 -1.481 83 H ASN 16 H ASN 16 -3.116 5.499 2.119 84 HA ASN 16 HA ASN 16 -5.710 6.715 1.461 85 HB2 ASN 16 1HB ASN 16 -3.908 7.249 3.834 86 HB3 ASN 16 2HB ASN 16 -5.512 7.929 3.574 87 HD21 ASN 16 1HD2 ASN 16 -4.740 6.467 5.842 88 HD22 ASN 16 2HD2 ASN 16 -5.668 5.010 5.886 89 H GLU 17 H GLU 17 -2.269 7.213 1.423 90 HA GLU 17 HA GLU 17 -2.045 9.949 1.199 91 HB2 GLU 17 1HB GLU 17 -0.499 7.719 -0.103 92 HB3 GLU 17 2HB GLU 17 -0.072 9.405 -0.357 93 HG2 GLU 17 1HG GLU 17 1.311 8.866 1.376 94 HG3 GLU 17 2HG GLU 17 -0.082 9.498 2.251 95 H CYS 18 H CYS 18 -2.803 7.605 -1.350 96 HA CYS 18 HA CYS 18 -3.676 9.857 -3.039 97 HB2 CYS 18 1HB CYS 18 -3.113 8.394 -5.001 98 HB3 CYS 18 2HB CYS 18 -1.720 8.916 -4.059 99 H GLY 19 H GLY 19 -4.169 6.427 -2.267 100 HA2 GLY 19 1HA GLY 19 -6.461 5.745 -1.726 101 HA3 GLY 19 2HA GLY 19 -6.998 6.777 -3.042 102 H LYS 20 H LYS 20 -4.675 4.108 -2.580 103 HA LYS 20 HA LYS 20 -5.830 2.838 -4.975 104 HB2 LYS 20 1HB LYS 20 -3.411 3.891 -5.070 105 HB3 LYS 20 2HB LYS 20 -2.962 2.401 -4.249 106 HG2 LYS 20 1HG LYS 20 -3.669 1.070 -6.058 107 HG3 LYS 20 2HG LYS 20 -4.530 2.414 -6.810 108 HD2 LYS 20 1HD LYS 20 -2.433 3.538 -7.273 109 HD3 LYS 20 2HD LYS 20 -1.539 2.270 -6.432 110 HE2 LYS 20 1HE LYS 20 -3.300 1.707 -8.804 111 HE3 LYS 20 2HE LYS 20 -1.602 2.149 -8.973 112 HZ1 LYS 20 3HZ LYS 20 -0.916 0.157 -8.221 113 HZ2 LYS 20 1HZ LYS 20 -2.443 -0.356 -8.739 114 HZ3 LYS 20 2HZ LYS 20 -2.179 -0.001 -7.107 115 H ALA 21 H ALA 21 -6.140 0.641 -4.911 116 HA ALA 21 HA ALA 21 -5.849 -0.594 -2.262 117 HB1 ALA 21 3HB ALA 21 -7.976 -1.146 -2.604 118 HB2 ALA 21 1HB ALA 21 -7.902 -0.659 -4.298 119 HB3 ALA 21 2HB ALA 21 -7.403 -2.284 -3.823 120 H PHE 22 H PHE 22 -4.641 -2.381 -1.942 121 HA PHE 22 HA PHE 22 -3.417 -3.649 -4.301 122 HB2 PHE 22 1HB PHE 22 -1.971 -3.334 -1.678 123 HB3 PHE 22 2HB PHE 22 -1.301 -3.736 -3.255 124 HD1 PHE 22 HD2 PHE 22 -0.910 -2.016 -4.918 125 HD2 PHE 22 HD1 PHE 22 -2.476 -1.057 -1.078 126 HE1 PHE 22 HE2 PHE 22 -0.392 0.358 -5.303 127 HE2 PHE 22 HE1 PHE 22 -1.961 1.319 -1.458 128 HZ PHE 22 HZ PHE 22 -0.917 2.029 -3.572 129 H THR 23 H THR 23 -3.311 -5.840 -4.308 130 HA THR 23 HA THR 23 -5.036 -7.307 -2.645 131 HB THR 23 HB THR 23 -2.764 -8.445 -4.280 132 HG1 THR 23 HG1 THR 23 -4.105 -8.333 -6.021 133 HG21 THR 23 3HG2 THR 23 -3.603 -10.238 -3.102 134 HG22 THR 23 1HG2 THR 23 -4.645 -10.263 -4.523 135 HG23 THR 23 2HG2 THR 23 -5.228 -9.559 -3.015 136 H ARG 24 H ARG 24 -1.470 -7.308 -2.779 137 HA ARG 24 HA ARG 24 -1.424 -8.588 -0.141 138 HB2 ARG 24 1HB ARG 24 0.456 -8.475 -2.443 139 HB3 ARG 24 2HB ARG 24 1.157 -8.589 -0.835 140 HG2 ARG 24 1HG ARG 24 0.881 -10.782 -1.882 141 HG3 ARG 24 2HG ARG 24 -0.076 -10.628 -0.407 142 HD2 ARG 24 1HD ARG 24 -1.484 -11.675 -1.985 143 HD3 ARG 24 2HD ARG 24 -2.023 -9.999 -1.894 144 HE ARG 24 HE ARG 24 -1.329 -9.678 -4.066 145 HH11 ARG 24 1HH1 ARG 24 -0.166 -12.741 -2.888 146 HH12 ARG 24 2HH1 ARG 24 0.355 -13.291 -4.446 147 HH21 ARG 24 1HH2 ARG 24 -0.647 -10.391 -6.123 148 HH22 ARG 24 2HH2 ARG 24 0.081 -11.953 -6.285 149 H ILE 25 H ILE 25 0.745 -7.858 1.071 150 HA ILE 25 HA ILE 25 0.419 -4.978 1.478 151 HB ILE 25 HB ILE 25 0.187 -6.441 3.446 152 HG12 ILE 25 1HG1 ILE 25 2.733 -4.888 3.810 153 HG13 ILE 25 2HG1 ILE 25 1.226 -4.054 3.446 154 HG21 ILE 25 1HG2 ILE 25 1.576 -8.266 3.087 155 HG22 ILE 25 2HG2 ILE 25 2.958 -7.257 2.664 156 HG23 ILE 25 3HG2 ILE 25 2.427 -7.366 4.342 157 HD11 ILE 25 3HD1 ILE 25 2.184 -4.926 5.944 158 HD12 ILE 25 1HD1 ILE 25 0.650 -4.139 5.574 159 HD13 ILE 25 2HD1 ILE 25 0.763 -5.899 5.561 160 H PHE 26 H PHE 26 2.586 -7.233 0.127 161 HA PHE 26 HA PHE 26 5.072 -6.069 0.566 162 HB2 PHE 26 1HB PHE 26 4.471 -7.191 -2.132 163 HB3 PHE 26 2HB PHE 26 5.867 -7.458 -1.092 164 HD1 PHE 26 HD1 PHE 26 4.372 -8.207 1.418 165 HD2 PHE 26 HD2 PHE 26 3.899 -9.412 -2.637 166 HE1 PHE 26 HE1 PHE 26 3.405 -10.342 2.169 167 HE2 PHE 26 HE2 PHE 26 2.931 -11.548 -1.893 168 HZ PHE 26 HZ PHE 26 2.682 -12.015 0.512 169 H HIS 27 H HIS 27 2.983 -5.605 -2.290 170 HA HIS 27 HA HIS 27 4.463 -3.559 -3.463 171 HB2 HIS 27 1HB HIS 27 1.638 -4.487 -3.664 172 HB3 HIS 27 2HB HIS 27 2.039 -2.920 -4.361 173 HD2 HIS 27 HD2 HIS 27 4.702 -5.718 -4.709 174 HE1 HIS 27 HE1 HIS 27 2.810 -5.219 -8.474 175 HE2 HIS 27 HE2 HIS 27 4.647 -6.387 -7.207 176 H LEU 28 H LEU 28 1.714 -3.349 -1.222 177 HA LEU 28 HA LEU 28 1.389 -0.609 -1.139 178 HB2 LEU 28 1HB LEU 28 -0.201 -1.899 -0.013 179 HB3 LEU 28 2HB LEU 28 1.024 -2.749 0.927 180 HG LEU 28 HG LEU 28 1.443 -0.599 2.151 181 HD11 LEU 28 1HD1 LEU 28 0.626 1.061 0.712 182 HD12 LEU 28 2HD1 LEU 28 -0.530 1.008 2.042 183 HD13 LEU 28 3HD1 LEU 28 -0.922 0.241 0.503 184 HD21 LEU 28 3HD2 LEU 28 -1.386 -1.075 2.682 185 HD22 LEU 28 1HD2 LEU 28 0.020 -1.305 3.723 186 HD23 LEU 28 2HD2 LEU 28 -0.433 -2.555 2.564 187 H THR 29 H THR 29 3.633 -2.615 0.735 188 HA THR 29 HA THR 29 4.693 -0.625 2.376 189 HB THR 29 HB THR 29 6.032 -3.100 1.272 190 HG1 THR 29 HG1 THR 29 5.584 -3.580 3.683 191 HG21 THR 29 3HG2 THR 29 7.721 -2.845 2.939 192 HG22 THR 29 1HG2 THR 29 6.890 -1.465 3.657 193 HG23 THR 29 2HG2 THR 29 7.626 -1.319 2.060 194 H ARG 30 H ARG 30 5.759 -1.728 -0.829 195 HA ARG 30 HA ARG 30 7.946 0.086 -0.987 196 HB2 ARG 30 1HB ARG 30 6.479 -1.353 -3.206 197 HB3 ARG 30 2HB ARG 30 8.043 -0.564 -3.352 198 HG2 ARG 30 1HG ARG 30 8.644 -2.207 -1.364 199 HG3 ARG 30 2HG ARG 30 7.327 -3.140 -2.078 200 HD2 ARG 30 1HD ARG 30 9.272 -3.916 -3.141 201 HD3 ARG 30 2HD ARG 30 8.519 -2.824 -4.302 202 HE ARG 30 HE ARG 30 10.297 -1.378 -4.065 203 HH11 ARG 30 1HH1 ARG 30 10.452 -3.865 -1.633 204 HH12 ARG 30 2HH1 ARG 30 12.058 -3.454 -1.130 205 HH21 ARG 30 1HH2 ARG 30 12.412 -0.828 -3.411 206 HH22 ARG 30 2HH2 ARG 30 13.172 -1.726 -2.142 207 H HIS 31 H HIS 31 4.569 0.222 -1.902 208 HA HIS 31 HA HIS 31 4.702 2.498 -3.565 209 HB2 HIS 31 1HB HIS 31 2.737 1.162 -3.681 210 HB3 HIS 31 2HB HIS 31 2.462 1.288 -1.946 211 HD1 HIS 31 HD1 HIS 31 2.547 3.603 -4.966 212 HD2 HIS 31 HD2 HIS 31 0.656 3.191 -1.290 213 HE1 HIS 31 HE1 HIS 31 0.850 5.456 -4.872 214 H GLN 32 H GLN 32 3.432 2.305 -0.234 215 HA GLN 32 HA GLN 32 3.062 4.873 0.406 216 HB2 GLN 32 1HB GLN 32 4.377 2.725 2.056 217 HB3 GLN 32 2HB GLN 32 4.005 4.310 2.721 218 HG2 GLN 32 1HG GLN 32 1.632 3.955 2.129 219 HG3 GLN 32 2HG GLN 32 2.044 2.328 1.590 220 HE21 GLN 32 1HE2 GLN 32 0.190 2.356 3.403 221 HE22 GLN 32 2HE2 GLN 32 0.778 1.933 4.971 222 H LYS 33 H LYS 33 6.210 3.331 0.086 223 HA LYS 33 HA LYS 33 7.821 5.363 1.108 224 HB2 LYS 33 1HB LYS 33 8.424 3.461 -1.165 225 HB3 LYS 33 2HB LYS 33 9.619 4.395 -0.274 226 HG2 LYS 33 1HG LYS 33 8.523 3.159 1.788 227 HG3 LYS 33 2HG LYS 33 8.096 1.984 0.542 228 HD2 LYS 33 1HD LYS 33 10.891 2.997 0.611 229 HD3 LYS 33 2HD LYS 33 10.391 1.856 1.862 230 HE2 LYS 33 1HE LYS 33 9.717 1.227 -0.965 231 HE3 LYS 33 2HE LYS 33 11.395 1.049 -0.453 232 HZ1 LYS 33 3HZ LYS 33 10.104 -1.005 -0.211 233 HZ2 LYS 33 1HZ LYS 33 9.073 -0.231 0.885 234 HZ3 LYS 33 2HZ LYS 33 10.704 -0.456 1.273 235 H ILE 34 H ILE 34 6.662 4.848 -2.210 236 HA ILE 34 HA ILE 34 7.957 6.875 -3.529 237 HB ILE 34 HB ILE 34 6.319 6.781 -5.193 238 HG12 ILE 34 1HG1 ILE 34 4.017 5.639 -4.457 239 HG13 ILE 34 2HG1 ILE 34 4.462 6.344 -2.906 240 HG21 ILE 34 1HG2 ILE 34 5.493 4.155 -4.362 241 HG22 ILE 34 2HG2 ILE 34 6.618 4.626 -5.635 242 HG23 ILE 34 3HG2 ILE 34 7.195 4.419 -3.982 243 HD11 ILE 34 3HD1 ILE 34 3.959 8.408 -3.578 244 HD12 ILE 34 1HD1 ILE 34 4.722 8.187 -5.152 245 HD13 ILE 34 2HD1 ILE 34 3.079 7.608 -4.879 246 H HIS 35 H HIS 35 5.266 7.112 -1.307 247 HA HIS 35 HA HIS 35 4.651 9.843 -1.912 248 HB2 HIS 35 1HB HIS 35 3.871 7.992 0.336 249 HB3 HIS 35 2HB HIS 35 3.366 9.679 0.294 250 HD1 HIS 35 HD1 HIS 35 2.125 10.292 -2.151 251 HD2 HIS 35 HD2 HIS 35 2.056 6.361 -0.808 252 HE1 HIS 35 HE1 HIS 35 0.232 9.191 -3.389 253 H THR 36 H THR 36 6.644 10.924 -1.753 254 HA THR 36 HA THR 36 7.471 11.459 1.017 255 HB THR 36 HB THR 36 9.829 11.599 0.298 256 HG1 THR 36 HG1 THR 36 10.110 10.356 -1.843 257 HG21 THR 36 3HG2 THR 36 8.292 9.263 0.692 258 HG22 THR 36 1HG2 THR 36 10.015 9.489 0.988 259 HG23 THR 36 2HG2 THR 36 9.459 8.901 -0.579 260 H ARG 37 H ARG 37 7.083 13.530 1.412 261 HA ARG 37 HA ARG 37 6.426 15.497 -0.384 262 HB2 ARG 37 1HB ARG 37 6.413 15.458 2.238 263 HB3 ARG 37 2HB ARG 37 7.983 16.231 2.066 264 HG2 ARG 37 1HG ARG 37 7.050 18.104 0.971 265 HG3 ARG 37 2HG ARG 37 5.502 17.287 0.745 266 HD2 ARG 37 1HD ARG 37 6.686 17.990 3.427 267 HD3 ARG 37 2HD ARG 37 5.501 18.978 2.572 268 HE ARG 37 HE ARG 37 4.642 16.270 2.941 269 HH11 ARG 37 1HH1 ARG 37 4.871 19.404 4.441 270 HH12 ARG 37 2HH1 ARG 37 3.549 19.126 5.526 271 HH21 ARG 37 1HH2 ARG 37 2.900 15.892 4.365 272 HH22 ARG 37 2HH2 ARG 37 2.430 17.128 5.482 273 H LYS 38 H LYS 38 7.658 17.533 -0.866 274 HA LYS 38 HA LYS 38 10.056 16.868 -2.258 275 HB2 LYS 38 1HB LYS 38 8.576 19.448 -1.788 276 HB3 LYS 38 2HB LYS 38 10.106 19.403 -2.655 277 HG2 LYS 38 1HG LYS 38 8.670 19.268 -4.409 278 HG3 LYS 38 2HG LYS 38 8.856 17.549 -4.056 279 HD2 LYS 38 1HD LYS 38 6.813 17.797 -2.558 280 HD3 LYS 38 2HD LYS 38 6.577 19.370 -3.322 281 HE2 LYS 38 1HE LYS 38 6.978 17.000 -5.072 282 HE3 LYS 38 2HE LYS 38 5.427 17.174 -4.253 283 HZ1 LYS 38 3HZ LYS 38 6.590 18.779 -6.387 284 HZ2 LYS 38 1HZ LYS 38 5.703 19.616 -5.215 285 HZ3 LYS 38 2HZ LYS 38 4.975 18.371 -6.097 286 H SER 39 H SER 39 12.162 17.576 -1.891 287 HA SER 39 HA SER 39 12.852 19.158 0.396 288 HB2 SER 39 1HB SER 39 12.463 17.119 1.612 289 HB3 SER 39 2HB SER 39 13.390 16.181 0.440 290 HG SER 39 HG SER 39 14.683 16.593 2.220 291 H GLY 40 H GLY 40 14.647 20.240 -0.089 292 HA2 GLY 40 1HA GLY 40 16.842 20.549 -0.839 293 HA3 GLY 40 2HA GLY 40 16.783 18.963 -1.594 294 HA PRO 41 HA PRO 41 16.602 22.083 -4.984 295 HB2 PRO 41 1HB PRO 41 18.265 20.710 -6.633 296 HB3 PRO 41 2HB PRO 41 18.848 21.823 -5.389 297 HG2 PRO 41 1HG PRO 41 18.650 18.837 -5.317 298 HG3 PRO 41 2HG PRO 41 19.965 19.885 -4.755 299 HD2 PRO 41 1HD PRO 41 18.143 18.803 -3.069 300 HD3 PRO 41 2HD PRO 41 18.890 20.387 -2.779 301 H SER 42 H SER 42 15.704 18.851 -4.529 302 HA SER 42 HA SER 42 15.029 17.742 -6.878 303 HB2 SER 42 1HB SER 42 13.179 16.655 -5.806 304 HB3 SER 42 2HB SER 42 14.425 16.888 -4.580 305 HG SER 42 HG SER 42 13.082 19.012 -4.330 306 H SER 43 H SER 43 13.147 17.739 -8.244 307 HA SER 43 HA SER 43 12.261 20.421 -8.849 308 HB2 SER 43 1HB SER 43 12.927 18.617 -10.556 309 HB3 SER 43 2HB SER 43 11.342 17.910 -10.243 310 HG SER 43 HG SER 43 11.766 19.682 -11.988 311 H GLY 44 H GLY 44 9.853 20.605 -9.564 312 HA2 GLY 44 1HA GLY 44 7.587 20.334 -9.089 313 HA3 GLY 44 2HA GLY 44 8.006 19.083 -7.927 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -30.332 2.638 -1.948 2 HA2 GLY 1 1HA GLY 1 -28.018 4.029 -2.311 3 HA3 GLY 1 2HA GLY 1 -29.589 4.808 -2.190 4 H SER 2 H SER 2 -30.223 5.758 -0.243 5 HA SER 2 HA SER 2 -28.419 7.172 1.194 6 HB2 SER 2 1HB SER 2 -31.022 7.178 1.286 7 HB3 SER 2 2HB SER 2 -30.813 6.053 2.628 8 HG SER 2 HG SER 2 -30.682 7.892 3.687 9 H SER 3 H SER 3 -29.729 4.011 2.184 10 HA SER 3 HA SER 3 -27.358 3.679 3.903 11 HB2 SER 3 1HB SER 3 -29.573 4.001 5.119 12 HB3 SER 3 2HB SER 3 -30.054 2.438 4.459 13 HG SER 3 HG SER 3 -27.834 2.965 6.146 14 H GLY 4 H GLY 4 -26.106 2.440 2.587 15 HA2 GLY 4 1HA GLY 4 -27.300 0.099 1.292 16 HA3 GLY 4 2HA GLY 4 -25.699 0.752 0.977 17 H SER 5 H SER 5 -24.933 -1.440 1.153 18 HA SER 5 HA SER 5 -23.947 -2.027 3.762 19 HB2 SER 5 1HB SER 5 -25.068 -4.052 4.248 20 HB3 SER 5 2HB SER 5 -26.347 -2.936 3.771 21 HG SER 5 HG SER 5 -25.826 -5.281 2.731 22 H SER 6 H SER 6 -22.327 -3.632 3.754 23 HA SER 6 HA SER 6 -21.669 -4.865 1.188 24 HB2 SER 6 1HB SER 6 -20.492 -2.549 1.606 25 HB3 SER 6 2HB SER 6 -19.457 -3.496 2.675 26 HG SER 6 HG SER 6 -19.954 -4.081 -0.059 27 H GLY 7 H GLY 7 -20.942 -6.890 1.418 28 HA2 GLY 7 1HA GLY 7 -20.143 -7.741 4.132 29 HA3 GLY 7 2HA GLY 7 -21.020 -8.764 3.005 30 H THR 8 H THR 8 -17.922 -7.335 3.777 31 HA THR 8 HA THR 8 -16.625 -8.954 1.703 32 HB THR 8 HB THR 8 -14.619 -7.638 2.113 33 HG1 THR 8 HG1 THR 8 -16.182 -6.359 4.128 34 HG21 THR 8 3HG2 THR 8 -16.450 -5.379 2.041 35 HG22 THR 8 1HG2 THR 8 -16.964 -6.694 0.984 36 HG23 THR 8 2HG2 THR 8 -15.359 -5.986 0.796 37 H ASP 9 H ASP 9 -15.778 -10.847 2.236 38 HA ASP 9 HA ASP 9 -15.143 -11.370 5.059 39 HB2 ASP 9 1HB ASP 9 -15.536 -13.392 2.845 40 HB3 ASP 9 2HB ASP 9 -15.417 -13.718 4.573 41 H SER 10 H SER 10 -13.329 -9.881 3.499 42 HA SER 10 HA SER 10 -10.975 -11.511 3.817 43 HB2 SER 10 1HB SER 10 -12.008 -11.816 1.397 44 HB3 SER 10 2HB SER 10 -11.204 -10.274 1.106 45 HG SER 10 HG SER 10 -9.362 -11.275 1.079 46 H LYS 11 H LYS 11 -9.089 -10.304 4.007 47 HA LYS 11 HA LYS 11 -9.495 -7.522 4.650 48 HB2 LYS 11 1HB LYS 11 -7.237 -7.566 5.490 49 HB3 LYS 11 2HB LYS 11 -8.064 -9.023 6.026 50 HG2 LYS 11 1HG LYS 11 -6.788 -10.396 4.728 51 HG3 LYS 11 2HG LYS 11 -6.490 -9.152 3.511 52 HD2 LYS 11 1HD LYS 11 -4.423 -9.358 4.545 53 HD3 LYS 11 2HD LYS 11 -5.140 -7.983 5.388 54 HE2 LYS 11 1HE LYS 11 -5.480 -10.763 6.446 55 HE3 LYS 11 2HE LYS 11 -3.995 -9.865 6.758 56 HZ1 LYS 11 3HZ LYS 11 -5.324 -9.364 8.567 57 HZ2 LYS 11 1HZ LYS 11 -6.741 -9.259 7.647 58 HZ3 LYS 11 2HZ LYS 11 -5.579 -8.033 7.555 59 H SER 12 H SER 12 -7.825 -5.897 3.901 60 HA SER 12 HA SER 12 -6.446 -6.232 1.466 61 HB2 SER 12 1HB SER 12 -7.844 -5.180 -0.123 62 HB3 SER 12 2HB SER 12 -8.901 -6.313 0.719 63 HG SER 12 HG SER 12 -10.088 -4.613 1.054 64 H TYR 13 H TYR 13 -4.924 -4.713 1.410 65 HA TYR 13 HA TYR 13 -5.152 -2.436 3.210 66 HB2 TYR 13 1HB TYR 13 -2.762 -3.145 1.516 67 HB3 TYR 13 2HB TYR 13 -2.802 -2.193 2.996 68 HD1 TYR 13 HD2 TYR 13 -3.076 -3.304 5.177 69 HD2 TYR 13 HD1 TYR 13 -2.702 -5.544 1.579 70 HE1 TYR 13 HE2 TYR 13 -2.573 -5.321 6.492 71 HE2 TYR 13 HE1 TYR 13 -2.199 -7.567 2.884 72 HH TYR 13 HH TYR 13 -2.896 -8.099 5.793 73 H ASN 14 H ASN 14 -4.154 -0.331 2.382 74 HA ASN 14 HA ASN 14 -4.352 0.258 -0.403 75 HB2 ASN 14 1HB ASN 14 -6.242 1.947 -0.071 76 HB3 ASN 14 2HB ASN 14 -6.701 0.247 -0.130 77 HD21 ASN 14 1HD2 ASN 14 -8.170 -0.268 1.303 78 HD22 ASN 14 2HD2 ASN 14 -8.349 0.415 2.879 79 H CYS 15 H CYS 15 -4.249 2.721 -0.742 80 HA CYS 15 HA CYS 15 -2.607 3.907 1.400 81 HB2 CYS 15 1HB CYS 15 -1.363 3.217 -0.694 82 HB3 CYS 15 2HB CYS 15 -2.285 4.447 -1.553 83 H ASN 16 H ASN 16 -4.678 4.778 2.162 84 HA ASN 16 HA ASN 16 -6.470 6.354 0.894 85 HB2 ASN 16 1HB ASN 16 -6.822 7.543 2.984 86 HB3 ASN 16 2HB ASN 16 -6.506 5.844 3.321 87 HD21 ASN 16 1HD2 ASN 16 -4.440 5.250 4.126 88 HD22 ASN 16 2HD2 ASN 16 -3.467 6.395 4.978 89 H GLU 17 H GLU 17 -3.168 7.212 1.701 90 HA GLU 17 HA GLU 17 -3.152 9.935 1.417 91 HB2 GLU 17 1HB GLU 17 -1.131 7.881 0.533 92 HB3 GLU 17 2HB GLU 17 -0.826 9.608 0.415 93 HG2 GLU 17 1HG GLU 17 0.177 8.924 2.417 94 HG3 GLU 17 2HG GLU 17 -1.316 9.732 2.890 95 H CYS 18 H CYS 18 -2.482 7.668 -1.260 96 HA CYS 18 HA CYS 18 -3.104 9.775 -3.176 97 HB2 CYS 18 1HB CYS 18 -2.322 8.070 -4.857 98 HB3 CYS 18 2HB CYS 18 -1.111 8.549 -3.672 99 H GLY 19 H GLY 19 -4.156 6.471 -2.388 100 HA2 GLY 19 1HA GLY 19 -6.584 6.087 -2.327 101 HA3 GLY 19 2HA GLY 19 -6.694 7.075 -3.776 102 H LYS 20 H LYS 20 -4.592 4.353 -2.846 103 HA LYS 20 HA LYS 20 -5.647 2.855 -5.144 104 HB2 LYS 20 1HB LYS 20 -2.833 3.628 -4.570 105 HB3 LYS 20 2HB LYS 20 -3.110 2.011 -5.204 106 HG2 LYS 20 1HG LYS 20 -4.159 2.892 -7.168 107 HG3 LYS 20 2HG LYS 20 -4.115 4.529 -6.511 108 HD2 LYS 20 1HD LYS 20 -1.547 3.049 -6.747 109 HD3 LYS 20 2HD LYS 20 -2.292 3.658 -8.227 110 HE2 LYS 20 1HE LYS 20 -2.144 5.879 -7.529 111 HE3 LYS 20 2HE LYS 20 -1.938 5.430 -5.836 112 HZ1 LYS 20 3HZ LYS 20 0.146 6.170 -6.713 113 HZ2 LYS 20 1HZ LYS 20 0.051 5.092 -8.013 114 HZ3 LYS 20 2HZ LYS 20 0.251 4.504 -6.440 115 H ALA 21 H ALA 21 -6.526 1.050 -4.396 116 HA ALA 21 HA ALA 21 -5.685 -0.069 -1.856 117 HB1 ALA 21 3HB ALA 21 -7.887 -0.430 -1.809 118 HB2 ALA 21 1HB ALA 21 -8.043 -0.227 -3.554 119 HB3 ALA 21 2HB ALA 21 -7.568 -1.789 -2.886 120 H PHE 22 H PHE 22 -4.209 -1.611 -1.659 121 HA PHE 22 HA PHE 22 -3.528 -3.216 -4.029 122 HB2 PHE 22 1HB PHE 22 -1.845 -2.617 -1.587 123 HB3 PHE 22 2HB PHE 22 -1.331 -3.557 -2.984 124 HD1 PHE 22 HD1 PHE 22 -2.106 -0.206 -1.730 125 HD2 PHE 22 HD2 PHE 22 -0.742 -2.488 -5.054 126 HE1 PHE 22 HE1 PHE 22 -1.318 1.856 -2.819 127 HE2 PHE 22 HE2 PHE 22 0.048 -0.430 -6.147 128 HZ PHE 22 HZ PHE 22 -0.239 1.745 -5.029 129 H THR 23 H THR 23 -3.755 -5.369 -3.988 130 HA THR 23 HA THR 23 -5.150 -6.595 -1.819 131 HB THR 23 HB THR 23 -3.896 -7.851 -4.268 132 HG1 THR 23 HG1 THR 23 -6.355 -6.624 -3.732 133 HG21 THR 23 3HG2 THR 23 -5.692 -8.947 -2.121 134 HG22 THR 23 1HG2 THR 23 -4.179 -9.611 -2.735 135 HG23 THR 23 2HG2 THR 23 -5.633 -9.658 -3.733 136 H ARG 24 H ARG 24 -1.821 -6.354 -2.774 137 HA ARG 24 HA ARG 24 -1.022 -8.434 -0.881 138 HB2 ARG 24 1HB ARG 24 0.498 -6.877 -2.971 139 HB3 ARG 24 2HB ARG 24 1.288 -7.940 -1.814 140 HG2 ARG 24 1HG ARG 24 0.514 -9.834 -2.810 141 HG3 ARG 24 2HG ARG 24 -0.951 -9.053 -3.410 142 HD2 ARG 24 1HD ARG 24 1.712 -8.237 -4.489 143 HD3 ARG 24 2HD ARG 24 0.959 -9.725 -5.062 144 HE ARG 24 HE ARG 24 -0.815 -7.482 -5.155 145 HH11 ARG 24 1HH1 ARG 24 1.762 -9.121 -6.827 146 HH12 ARG 24 2HH1 ARG 24 1.306 -8.521 -8.387 147 HH21 ARG 24 1HH2 ARG 24 -1.425 -6.686 -7.203 148 HH22 ARG 24 2HH2 ARG 24 -0.505 -7.135 -8.600 149 H ILE 25 H ILE 25 0.498 -8.030 0.787 150 HA ILE 25 HA ILE 25 0.178 -5.416 1.993 151 HB ILE 25 HB ILE 25 -0.033 -7.433 3.380 152 HG12 ILE 25 1HG1 ILE 25 1.628 -6.730 5.172 153 HG13 ILE 25 2HG1 ILE 25 2.253 -5.565 4.010 154 HG21 ILE 25 1HG2 ILE 25 2.840 -7.852 2.595 155 HG22 ILE 25 2HG2 ILE 25 2.096 -8.642 3.985 156 HG23 ILE 25 3HG2 ILE 25 1.477 -8.947 2.362 157 HD11 ILE 25 3HD1 ILE 25 0.786 -4.218 5.061 158 HD12 ILE 25 1HD1 ILE 25 -0.334 -4.927 3.899 159 HD13 ILE 25 2HD1 ILE 25 -0.261 -5.550 5.547 160 H PHE 26 H PHE 26 2.729 -7.352 0.548 161 HA PHE 26 HA PHE 26 4.846 -5.574 1.299 162 HB2 PHE 26 1HB PHE 26 6.279 -7.022 0.163 163 HB3 PHE 26 2HB PHE 26 4.978 -8.092 0.673 164 HD1 PHE 26 HD2 PHE 26 6.542 -6.398 -2.167 165 HD2 PHE 26 HD1 PHE 26 3.465 -9.064 -0.925 166 HE1 PHE 26 HE2 PHE 26 6.204 -7.092 -4.503 167 HE2 PHE 26 HE1 PHE 26 3.123 -9.762 -3.260 168 HZ PHE 26 HZ PHE 26 4.493 -8.775 -5.052 169 H HIS 27 H HIS 27 2.855 -6.053 -1.571 170 HA HIS 27 HA HIS 27 4.232 -4.370 -3.330 171 HB2 HIS 27 1HB HIS 27 2.319 -5.975 -3.855 172 HB3 HIS 27 2HB HIS 27 1.234 -4.704 -3.301 173 HD2 HIS 27 HD2 HIS 27 1.712 -2.187 -4.866 174 HE1 HIS 27 HE1 HIS 27 2.692 -4.464 -8.309 175 HE2 HIS 27 HE2 HIS 27 2.131 -2.176 -7.419 176 H LEU 28 H LEU 28 1.811 -3.667 -0.873 177 HA LEU 28 HA LEU 28 1.429 -0.945 -1.609 178 HB2 LEU 28 1HB LEU 28 -0.299 -1.931 -0.366 179 HB3 LEU 28 2HB LEU 28 0.817 -2.549 0.850 180 HG LEU 28 HG LEU 28 1.209 -0.172 1.560 181 HD11 LEU 28 1HD1 LEU 28 0.066 1.585 0.691 182 HD12 LEU 28 2HD1 LEU 28 -1.329 0.605 0.244 183 HD13 LEU 28 3HD1 LEU 28 0.126 0.571 -0.751 184 HD21 LEU 28 3HD2 LEU 28 -1.701 -0.752 1.830 185 HD22 LEU 28 1HD2 LEU 28 -0.533 -0.239 3.048 186 HD23 LEU 28 2HD2 LEU 28 -0.535 -1.908 2.477 187 H THR 29 H THR 29 3.480 -2.587 0.757 188 HA THR 29 HA THR 29 4.499 -0.318 2.044 189 HB THR 29 HB THR 29 5.899 -2.959 1.575 190 HG1 THR 29 HG1 THR 29 4.874 -3.642 3.380 191 HG21 THR 29 3HG2 THR 29 7.321 -1.004 2.324 192 HG22 THR 29 1HG2 THR 29 7.320 -2.405 3.395 193 HG23 THR 29 2HG2 THR 29 6.360 -0.983 3.803 194 H ARG 30 H ARG 30 5.726 -2.115 -0.765 195 HA ARG 30 HA ARG 30 8.029 -0.517 -1.142 196 HB2 ARG 30 1HB ARG 30 8.281 -1.636 -3.236 197 HB3 ARG 30 2HB ARG 30 7.656 -2.813 -2.090 198 HG2 ARG 30 1HG ARG 30 5.613 -2.938 -3.116 199 HG3 ARG 30 2HG ARG 30 5.733 -1.312 -3.792 200 HD2 ARG 30 1HD ARG 30 7.589 -3.484 -4.691 201 HD3 ARG 30 2HD ARG 30 5.964 -3.357 -5.364 202 HE ARG 30 HE ARG 30 7.528 -0.924 -5.435 203 HH11 ARG 30 1HH1 ARG 30 6.555 -3.817 -7.110 204 HH12 ARG 30 2HH1 ARG 30 6.914 -3.184 -8.682 205 HH21 ARG 30 1HH2 ARG 30 8.004 -0.079 -7.500 206 HH22 ARG 30 2HH2 ARG 30 7.739 -1.058 -8.903 207 H HIS 31 H HIS 31 4.742 0.085 -1.711 208 HA HIS 31 HA HIS 31 5.220 2.031 -3.825 209 HB2 HIS 31 1HB HIS 31 3.221 0.992 -4.290 210 HB3 HIS 31 2HB HIS 31 2.809 0.785 -2.591 211 HD1 HIS 31 HD1 HIS 31 2.813 3.418 -5.298 212 HD2 HIS 31 HD2 HIS 31 1.184 2.733 -1.538 213 HE1 HIS 31 HE1 HIS 31 1.142 5.264 -4.942 214 H GLN 32 H GLN 32 3.686 2.049 -0.602 215 HA GLN 32 HA GLN 32 3.225 4.665 -0.185 216 HB2 GLN 32 1HB GLN 32 4.364 2.610 1.690 217 HB3 GLN 32 2HB GLN 32 4.019 4.246 2.236 218 HG2 GLN 32 1HG GLN 32 1.673 3.739 1.143 219 HG3 GLN 32 2HG GLN 32 2.160 2.072 1.448 220 HE21 GLN 32 1HE2 GLN 32 1.469 1.301 3.297 221 HE22 GLN 32 2HE2 GLN 32 1.197 2.202 4.746 222 H LYS 33 H LYS 33 6.341 3.202 -0.538 223 HA LYS 33 HA LYS 33 8.043 4.986 0.676 224 HB2 LYS 33 1HB LYS 33 8.445 3.691 -2.027 225 HB3 LYS 33 2HB LYS 33 9.713 4.348 -1.000 226 HG2 LYS 33 1HG LYS 33 9.002 2.675 0.747 227 HG3 LYS 33 2HG LYS 33 7.998 1.933 -0.501 228 HD2 LYS 33 1HD LYS 33 9.895 0.692 -0.764 229 HD3 LYS 33 2HD LYS 33 10.272 2.022 -1.861 230 HE2 LYS 33 1HE LYS 33 11.769 2.988 -0.377 231 HE3 LYS 33 2HE LYS 33 11.061 2.179 1.020 232 HZ1 LYS 33 3HZ LYS 33 12.929 0.939 0.745 233 HZ2 LYS 33 1HZ LYS 33 12.996 1.173 -0.929 234 HZ3 LYS 33 2HZ LYS 33 11.897 0.067 -0.273 235 H ILE 34 H ILE 34 6.621 5.242 -2.570 236 HA ILE 34 HA ILE 34 7.846 7.555 -3.441 237 HB ILE 34 HB ILE 34 5.981 7.900 -4.924 238 HG12 ILE 34 1HG1 ILE 34 4.381 5.746 -3.599 239 HG13 ILE 34 2HG1 ILE 34 4.325 7.377 -2.941 240 HG21 ILE 34 1HG2 ILE 34 7.184 5.293 -4.511 241 HG22 ILE 34 2HG2 ILE 34 5.630 5.191 -5.337 242 HG23 ILE 34 3HG2 ILE 34 6.919 6.192 -6.005 243 HD11 ILE 34 3HD1 ILE 34 2.553 7.436 -4.370 244 HD12 ILE 34 1HD1 ILE 34 3.832 8.017 -5.436 245 HD13 ILE 34 2HD1 ILE 34 3.303 6.336 -5.526 246 H HIS 35 H HIS 35 5.569 7.169 -0.905 247 HA HIS 35 HA HIS 35 4.851 9.997 -0.882 248 HB2 HIS 35 1HB HIS 35 3.955 7.659 0.809 249 HB3 HIS 35 2HB HIS 35 3.428 9.316 1.084 250 HD1 HIS 35 HD1 HIS 35 2.370 10.410 -1.302 251 HD2 HIS 35 HD2 HIS 35 2.191 6.302 -0.708 252 HE1 HIS 35 HE1 HIS 35 0.560 9.587 -2.841 253 H THR 36 H THR 36 7.536 9.656 -0.502 254 HA THR 36 HA THR 36 7.931 10.001 2.394 255 HB THR 36 HB THR 36 9.329 8.245 1.503 256 HG1 THR 36 HG1 THR 36 10.681 9.109 2.888 257 HG21 THR 36 3HG2 THR 36 11.145 9.600 -0.172 258 HG22 THR 36 1HG2 THR 36 9.530 10.004 -0.753 259 HG23 THR 36 2HG2 THR 36 10.021 8.316 -0.614 260 H ARG 37 H ARG 37 9.011 11.794 3.193 261 HA ARG 37 HA ARG 37 8.870 14.150 1.515 262 HB2 ARG 37 1HB ARG 37 9.557 13.779 4.434 263 HB3 ARG 37 2HB ARG 37 9.503 15.341 3.629 264 HG2 ARG 37 1HG ARG 37 7.147 13.483 3.686 265 HG3 ARG 37 2HG ARG 37 7.459 14.664 4.959 266 HD2 ARG 37 1HD ARG 37 5.998 15.771 3.518 267 HD3 ARG 37 2HD ARG 37 7.586 16.383 3.060 268 HE ARG 37 HE ARG 37 6.799 14.114 1.509 269 HH11 ARG 37 1HH1 ARG 37 6.444 17.561 1.847 270 HH12 ARG 37 2HH1 ARG 37 6.070 17.818 0.175 271 HH21 ARG 37 1HH2 ARG 37 6.308 14.440 -0.695 272 HH22 ARG 37 2HH2 ARG 37 5.992 16.042 -1.270 273 H LYS 38 H LYS 38 10.530 15.090 0.519 274 HA LYS 38 HA LYS 38 13.226 14.057 1.046 275 HB2 LYS 38 1HB LYS 38 11.852 15.181 -1.341 276 HB3 LYS 38 2HB LYS 38 13.577 15.483 -1.189 277 HG2 LYS 38 1HG LYS 38 13.346 13.535 -2.497 278 HG3 LYS 38 2HG LYS 38 13.876 13.002 -0.899 279 HD2 LYS 38 1HD LYS 38 12.168 11.507 -1.459 280 HD3 LYS 38 2HD LYS 38 11.379 12.676 -0.398 281 HE2 LYS 38 1HE LYS 38 9.863 12.500 -2.130 282 HE3 LYS 38 2HE LYS 38 10.809 13.906 -2.615 283 HZ1 LYS 38 3HZ LYS 38 11.307 12.868 -4.489 284 HZ2 LYS 38 1HZ LYS 38 10.421 11.509 -4.011 285 HZ3 LYS 38 2HZ LYS 38 12.064 11.624 -3.628 286 H SER 39 H SER 39 14.908 15.910 0.280 287 HA SER 39 HA SER 39 14.757 17.879 2.345 288 HB2 SER 39 1HB SER 39 16.932 18.644 1.470 289 HB3 SER 39 2HB SER 39 16.904 16.894 1.684 290 HG SER 39 HG SER 39 17.605 16.960 -0.314 291 H GLY 40 H GLY 40 12.802 18.982 1.735 292 HA2 GLY 40 1HA GLY 40 13.004 21.458 0.726 293 HA3 GLY 40 2HA GLY 40 12.807 20.505 -0.737 294 HA PRO 41 HA PRO 41 8.700 21.440 1.575 295 HB2 PRO 41 1HB PRO 41 7.947 23.733 0.333 296 HB3 PRO 41 2HB PRO 41 8.876 23.716 1.836 297 HG2 PRO 41 1HG PRO 41 9.830 24.097 -0.976 298 HG3 PRO 41 2HG PRO 41 10.301 24.971 0.493 299 HD2 PRO 41 1HD PRO 41 11.818 23.001 -0.580 300 HD3 PRO 41 2HD PRO 41 11.751 23.310 1.167 301 H SER 42 H SER 42 9.420 22.400 -1.788 302 HA SER 42 HA SER 42 8.128 22.123 -3.689 303 HB2 SER 42 1HB SER 42 7.987 19.682 -4.270 304 HB3 SER 42 2HB SER 42 9.589 20.207 -3.752 305 HG SER 42 HG SER 42 8.062 18.296 -2.710 306 H SER 43 H SER 43 6.433 22.907 -1.655 307 HA SER 43 HA SER 43 4.173 21.087 -1.589 308 HB2 SER 43 1HB SER 43 4.693 23.793 -0.356 309 HB3 SER 43 2HB SER 43 3.122 22.997 -0.258 310 HG SER 43 HG SER 43 4.658 21.145 0.502 311 H GLY 44 H GLY 44 2.040 21.701 -2.287 312 HA2 GLY 44 1HA GLY 44 0.969 23.740 -3.531 313 HA3 GLY 44 2HA GLY 44 2.143 23.279 -4.755 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -27.960 -24.588 12.492 2 HA2 GLY 1 1HA GLY 1 -29.724 -24.139 10.830 3 HA3 GLY 1 2HA GLY 1 -29.265 -22.653 11.648 4 H SER 2 H SER 2 -30.424 -22.344 9.280 5 HA SER 2 HA SER 2 -28.425 -22.217 7.181 6 HB2 SER 2 1HB SER 2 -30.619 -22.881 6.477 7 HB3 SER 2 2HB SER 2 -31.357 -21.486 7.263 8 HG SER 2 HG SER 2 -30.700 -21.584 4.806 9 H SER 3 H SER 3 -27.790 -20.294 6.123 10 HA SER 3 HA SER 3 -28.509 -17.729 7.231 11 HB2 SER 3 1HB SER 3 -25.636 -18.654 7.461 12 HB3 SER 3 2HB SER 3 -26.285 -17.093 7.963 13 HG SER 3 HG SER 3 -27.197 -17.999 9.680 14 H GLY 4 H GLY 4 -26.925 -16.001 6.193 15 HA2 GLY 4 1HA GLY 4 -27.212 -16.337 3.357 16 HA3 GLY 4 2HA GLY 4 -26.558 -14.928 4.180 17 H SER 5 H SER 5 -25.802 -18.140 2.960 18 HA SER 5 HA SER 5 -23.049 -18.123 3.543 19 HB2 SER 5 1HB SER 5 -22.891 -19.883 1.785 20 HB3 SER 5 2HB SER 5 -24.181 -20.187 2.949 21 HG SER 5 HG SER 5 -24.563 -18.941 0.428 22 H SER 6 H SER 6 -21.912 -16.347 2.970 23 HA SER 6 HA SER 6 -21.283 -15.992 0.191 24 HB2 SER 6 1HB SER 6 -22.071 -13.785 -0.132 25 HB3 SER 6 2HB SER 6 -23.426 -14.643 0.600 26 HG SER 6 HG SER 6 -23.055 -12.617 1.597 27 H GLY 7 H GLY 7 -19.388 -14.790 -0.141 28 HA2 GLY 7 1HA GLY 7 -17.990 -13.976 2.332 29 HA3 GLY 7 2HA GLY 7 -17.188 -14.904 1.074 30 H THR 8 H THR 8 -18.794 -11.816 1.721 31 HA THR 8 HA THR 8 -17.660 -10.605 -0.650 32 HB THR 8 HB THR 8 -18.699 -8.495 0.287 33 HG1 THR 8 HG1 THR 8 -19.987 -8.678 2.081 34 HG21 THR 8 3HG2 THR 8 -21.101 -9.486 0.037 35 HG22 THR 8 1HG2 THR 8 -20.244 -10.965 -0.397 36 HG23 THR 8 2HG2 THR 8 -20.004 -9.496 -1.343 37 H ASP 9 H ASP 9 -17.409 -10.015 2.860 38 HA ASP 9 HA ASP 9 -15.337 -8.134 2.713 39 HB2 ASP 9 1HB ASP 9 -15.054 -8.472 5.079 40 HB3 ASP 9 2HB ASP 9 -16.775 -8.570 4.715 41 H SER 10 H SER 10 -13.110 -8.298 2.970 42 HA SER 10 HA SER 10 -11.752 -10.769 3.325 43 HB2 SER 10 1HB SER 10 -10.796 -11.030 1.101 44 HB3 SER 10 2HB SER 10 -12.555 -11.085 0.995 45 HG SER 10 HG SER 10 -12.579 -9.137 0.055 46 H LYS 11 H LYS 11 -9.891 -10.270 4.262 47 HA LYS 11 HA LYS 11 -8.953 -7.811 4.878 48 HB2 LYS 11 1HB LYS 11 -6.763 -8.803 5.257 49 HB3 LYS 11 2HB LYS 11 -8.028 -9.908 5.780 50 HG2 LYS 11 1HG LYS 11 -7.776 -11.142 3.654 51 HG3 LYS 11 2HG LYS 11 -6.433 -10.076 3.232 52 HD2 LYS 11 1HD LYS 11 -5.205 -10.823 5.200 53 HD3 LYS 11 2HD LYS 11 -6.558 -11.857 5.667 54 HE2 LYS 11 1HE LYS 11 -4.880 -13.202 4.590 55 HE3 LYS 11 2HE LYS 11 -6.288 -13.090 3.535 56 HZ1 LYS 11 3HZ LYS 11 -4.974 -11.110 2.528 57 HZ2 LYS 11 1HZ LYS 11 -4.578 -12.694 2.083 58 HZ3 LYS 11 2HZ LYS 11 -3.633 -11.873 3.220 59 H SER 12 H SER 12 -7.794 -6.199 3.960 60 HA SER 12 HA SER 12 -6.316 -6.553 1.526 61 HB2 SER 12 1HB SER 12 -8.870 -6.285 0.947 62 HB3 SER 12 2HB SER 12 -8.557 -4.580 1.271 63 HG SER 12 HG SER 12 -6.776 -5.940 -0.392 64 H TYR 13 H TYR 13 -5.246 -4.558 0.837 65 HA TYR 13 HA TYR 13 -5.023 -2.608 3.036 66 HB2 TYR 13 1HB TYR 13 -2.782 -3.472 1.201 67 HB3 TYR 13 2HB TYR 13 -2.657 -2.419 2.606 68 HD1 TYR 13 HD1 TYR 13 -3.395 -5.901 1.560 69 HD2 TYR 13 HD2 TYR 13 -2.303 -3.314 4.756 70 HE1 TYR 13 HE1 TYR 13 -2.921 -7.858 2.974 71 HE2 TYR 13 HE2 TYR 13 -1.825 -5.262 6.178 72 HH TYR 13 HH TYR 13 -2.858 -8.330 5.500 73 H ASN 14 H ASN 14 -4.635 -0.443 2.478 74 HA ASN 14 HA ASN 14 -4.691 0.289 -0.341 75 HB2 ASN 14 1HB ASN 14 -6.533 2.050 0.451 76 HB3 ASN 14 2HB ASN 14 -6.969 0.461 -0.170 77 HD21 ASN 14 1HD2 ASN 14 -8.039 -0.919 1.107 78 HD22 ASN 14 2HD2 ASN 14 -8.438 -0.621 2.762 79 H CYS 15 H CYS 15 -3.968 2.403 -0.761 80 HA CYS 15 HA CYS 15 -2.276 3.485 1.336 81 HB2 CYS 15 1HB CYS 15 -1.389 3.187 -0.952 82 HB3 CYS 15 2HB CYS 15 -2.580 4.338 -1.551 83 H ASN 16 H ASN 16 -3.003 4.985 2.679 84 HA ASN 16 HA ASN 16 -5.344 6.560 2.000 85 HB2 ASN 16 1HB ASN 16 -5.228 5.600 4.231 86 HB3 ASN 16 2HB ASN 16 -3.695 6.412 4.532 87 HD21 ASN 16 1HD2 ASN 16 -4.325 7.633 6.235 88 HD22 ASN 16 2HD2 ASN 16 -5.502 8.894 6.134 89 H GLU 17 H GLU 17 -3.077 7.130 0.422 90 HA GLU 17 HA GLU 17 -2.541 9.899 1.264 91 HB2 GLU 17 1HB GLU 17 -0.574 8.132 -0.198 92 HB3 GLU 17 2HB GLU 17 -0.293 9.763 0.396 93 HG2 GLU 17 1HG GLU 17 -0.994 7.509 2.242 94 HG3 GLU 17 2HG GLU 17 0.666 7.829 1.742 95 H CYS 18 H CYS 18 -3.060 7.617 -1.341 96 HA CYS 18 HA CYS 18 -3.655 9.882 -3.126 97 HB2 CYS 18 1HB CYS 18 -2.849 8.499 -5.023 98 HB3 CYS 18 2HB CYS 18 -1.575 8.886 -3.871 99 H GLY 19 H GLY 19 -4.227 6.430 -2.498 100 HA2 GLY 19 1HA GLY 19 -6.595 5.789 -2.202 101 HA3 GLY 19 2HA GLY 19 -6.946 6.800 -3.596 102 H LYS 20 H LYS 20 -4.946 4.003 -2.672 103 HA LYS 20 HA LYS 20 -5.833 2.638 -5.098 104 HB2 LYS 20 1HB LYS 20 -3.037 3.449 -4.481 105 HB3 LYS 20 2HB LYS 20 -3.281 1.858 -5.191 106 HG2 LYS 20 1HG LYS 20 -4.266 2.773 -7.136 107 HG3 LYS 20 2HG LYS 20 -4.409 4.370 -6.396 108 HD2 LYS 20 1HD LYS 20 -2.148 4.813 -6.608 109 HD3 LYS 20 2HD LYS 20 -1.716 3.104 -6.690 110 HE2 LYS 20 1HE LYS 20 -1.435 3.748 -8.882 111 HE3 LYS 20 2HE LYS 20 -3.096 3.159 -8.906 112 HZ1 LYS 20 3HZ LYS 20 -2.142 5.956 -8.910 113 HZ2 LYS 20 1HZ LYS 20 -3.727 5.566 -8.463 114 HZ3 LYS 20 2HZ LYS 20 -3.169 5.190 -10.015 115 H ALA 21 H ALA 21 -6.613 0.744 -4.479 116 HA ALA 21 HA ALA 21 -5.742 -0.445 -1.968 117 HB1 ALA 21 3HB ALA 21 -8.189 -0.203 -2.839 118 HB2 ALA 21 1HB ALA 21 -7.812 -1.677 -3.731 119 HB3 ALA 21 2HB ALA 21 -7.700 -1.658 -1.971 120 H PHE 22 H PHE 22 -4.367 -2.094 -1.821 121 HA PHE 22 HA PHE 22 -3.653 -3.527 -4.293 122 HB2 PHE 22 1HB PHE 22 -1.987 -3.035 -1.816 123 HB3 PHE 22 2HB PHE 22 -1.468 -3.967 -3.216 124 HD1 PHE 22 HD1 PHE 22 -2.659 -0.586 -2.234 125 HD2 PHE 22 HD2 PHE 22 -0.378 -2.917 -4.968 126 HE1 PHE 22 HE1 PHE 22 -1.823 1.475 -3.288 127 HE2 PHE 22 HE2 PHE 22 0.463 -0.861 -6.025 128 HZ PHE 22 HZ PHE 22 -0.258 1.339 -5.185 129 H THR 23 H THR 23 -3.426 -5.761 -4.256 130 HA THR 23 HA THR 23 -5.132 -7.140 -2.436 131 HB THR 23 HB THR 23 -3.202 -8.272 -4.471 132 HG1 THR 23 HG1 THR 23 -4.682 -7.210 -5.652 133 HG21 THR 23 3HG2 THR 23 -5.494 -9.905 -3.984 134 HG22 THR 23 1HG2 THR 23 -4.704 -9.557 -2.446 135 HG23 THR 23 2HG2 THR 23 -3.789 -10.298 -3.760 136 H ARG 24 H ARG 24 -1.624 -6.955 -2.875 137 HA ARG 24 HA ARG 24 -1.175 -8.727 -0.612 138 HB2 ARG 24 1HB ARG 24 0.750 -7.298 -2.453 139 HB3 ARG 24 2HB ARG 24 1.232 -8.387 -1.160 140 HG2 ARG 24 1HG ARG 24 1.306 -9.766 -2.994 141 HG3 ARG 24 2HG ARG 24 -0.314 -10.087 -2.372 142 HD2 ARG 24 1HD ARG 24 -1.288 -8.614 -4.004 143 HD3 ARG 24 2HD ARG 24 0.307 -8.095 -4.548 144 HE ARG 24 HE ARG 24 -1.056 -10.554 -5.227 145 HH11 ARG 24 1HH1 ARG 24 1.966 -8.827 -5.137 146 HH12 ARG 24 2HH1 ARG 24 2.711 -9.805 -6.358 147 HH21 ARG 24 1HH2 ARG 24 -0.086 -11.848 -6.836 148 HH22 ARG 24 2HH2 ARG 24 1.542 -11.522 -7.325 149 H ILE 25 H ILE 25 0.654 -7.963 0.925 150 HA ILE 25 HA ILE 25 -0.142 -5.324 1.935 151 HB ILE 25 HB ILE 25 -0.376 -7.310 3.441 152 HG12 ILE 25 1HG1 ILE 25 -0.027 -4.902 4.200 153 HG13 ILE 25 2HG1 ILE 25 0.340 -6.153 5.382 154 HG21 ILE 25 1HG2 ILE 25 1.906 -7.938 4.531 155 HG22 ILE 25 2HG2 ILE 25 1.403 -8.716 3.031 156 HG23 ILE 25 3HG2 ILE 25 2.574 -7.397 2.991 157 HD11 ILE 25 3HD1 ILE 25 2.325 -5.227 5.655 158 HD12 ILE 25 1HD1 ILE 25 2.725 -5.676 3.997 159 HD13 ILE 25 2HD1 ILE 25 2.023 -4.094 4.338 160 H PHE 26 H PHE 26 2.570 -7.156 0.762 161 HA PHE 26 HA PHE 26 4.548 -5.256 1.646 162 HB2 PHE 26 1HB PHE 26 6.066 -6.637 0.147 163 HB3 PHE 26 2HB PHE 26 5.305 -7.500 1.479 164 HD1 PHE 26 HD1 PHE 26 3.482 -9.078 1.058 165 HD2 PHE 26 HD2 PHE 26 5.541 -7.144 -2.126 166 HE1 PHE 26 HE1 PHE 26 2.572 -10.725 -0.527 167 HE2 PHE 26 HE2 PHE 26 4.634 -8.788 -3.716 168 HZ PHE 26 HZ PHE 26 3.147 -10.581 -2.917 169 H HIS 27 H HIS 27 2.909 -6.053 -1.380 170 HA HIS 27 HA HIS 27 4.336 -4.460 -3.140 171 HB2 HIS 27 1HB HIS 27 2.333 -6.099 -3.530 172 HB3 HIS 27 2HB HIS 27 1.352 -4.646 -3.363 173 HD2 HIS 27 HD2 HIS 27 4.501 -5.569 -5.602 174 HE1 HIS 27 HE1 HIS 27 1.731 -3.287 -7.864 175 HE2 HIS 27 HE2 HIS 27 3.896 -4.572 -7.911 176 H LEU 28 H LEU 28 1.669 -3.580 -0.992 177 HA LEU 28 HA LEU 28 1.378 -0.924 -1.914 178 HB2 LEU 28 1HB LEU 28 -0.432 -1.738 -0.711 179 HB3 LEU 28 2HB LEU 28 0.587 -2.387 0.571 180 HG LEU 28 HG LEU 28 1.062 -0.003 1.244 181 HD11 LEU 28 1HD1 LEU 28 -0.325 0.529 -1.152 182 HD12 LEU 28 2HD1 LEU 28 0.327 1.683 0.010 183 HD13 LEU 28 3HD1 LEU 28 -1.334 1.112 0.172 184 HD21 LEU 28 3HD2 LEU 28 -0.873 -1.695 2.029 185 HD22 LEU 28 1HD2 LEU 28 -1.858 -0.334 1.493 186 HD23 LEU 28 2HD2 LEU 28 -0.630 -0.097 2.736 187 H THR 29 H THR 29 3.173 -2.311 0.818 188 HA THR 29 HA THR 29 4.133 -0.011 1.992 189 HB THR 29 HB THR 29 5.669 -2.593 1.635 190 HG1 THR 29 HG1 THR 29 4.748 -3.006 3.762 191 HG21 THR 29 3HG2 THR 29 6.824 -0.403 2.473 192 HG22 THR 29 1HG2 THR 29 7.092 -1.921 3.329 193 HG23 THR 29 2HG2 THR 29 5.946 -0.739 3.965 194 H ARG 30 H ARG 30 5.564 -1.824 -0.711 195 HA ARG 30 HA ARG 30 7.854 -0.276 -1.059 196 HB2 ARG 30 1HB ARG 30 6.238 -1.680 -3.195 197 HB3 ARG 30 2HB ARG 30 7.911 -1.161 -3.343 198 HG2 ARG 30 1HG ARG 30 8.497 -2.697 -1.485 199 HG3 ARG 30 2HG ARG 30 6.831 -3.282 -1.502 200 HD2 ARG 30 1HD ARG 30 7.926 -4.836 -2.825 201 HD3 ARG 30 2HD ARG 30 7.265 -3.715 -4.015 202 HE ARG 30 HE ARG 30 9.963 -3.135 -3.155 203 HH11 ARG 30 1HH1 ARG 30 7.936 -4.783 -5.457 204 HH12 ARG 30 2HH1 ARG 30 9.168 -4.875 -6.672 205 HH21 ARG 30 1HH2 ARG 30 11.593 -3.251 -4.746 206 HH22 ARG 30 2HH2 ARG 30 11.248 -4.004 -6.266 207 H HIS 31 H HIS 31 4.561 0.233 -2.169 208 HA HIS 31 HA HIS 31 5.158 2.383 -3.934 209 HB2 HIS 31 1HB HIS 31 3.106 1.403 -4.399 210 HB3 HIS 31 2HB HIS 31 2.662 1.281 -2.699 211 HD1 HIS 31 HD1 HIS 31 2.955 3.865 -5.449 212 HD2 HIS 31 HD2 HIS 31 1.111 3.330 -1.765 213 HE1 HIS 31 HE1 HIS 31 1.405 5.827 -5.182 214 H GLN 32 H GLN 32 3.556 2.384 -0.743 215 HA GLN 32 HA GLN 32 3.282 5.001 -0.222 216 HB2 GLN 32 1HB GLN 32 4.191 2.770 1.565 217 HB3 GLN 32 2HB GLN 32 4.047 4.405 2.196 218 HG2 GLN 32 1HG GLN 32 1.668 4.357 1.262 219 HG3 GLN 32 2HG GLN 32 1.899 2.615 1.127 220 HE21 GLN 32 1HE2 GLN 32 1.613 1.386 2.876 221 HE22 GLN 32 2HE2 GLN 32 1.331 1.981 4.473 222 H LYS 33 H LYS 33 6.301 3.326 -0.541 223 HA LYS 33 HA LYS 33 8.083 4.968 0.763 224 HB2 LYS 33 1HB LYS 33 8.449 3.637 -1.928 225 HB3 LYS 33 2HB LYS 33 9.749 4.261 -0.922 226 HG2 LYS 33 1HG LYS 33 7.881 2.253 0.232 227 HG3 LYS 33 2HG LYS 33 9.124 1.720 -0.901 228 HD2 LYS 33 1HD LYS 33 9.881 3.502 1.372 229 HD3 LYS 33 2HD LYS 33 9.608 1.784 1.673 230 HE2 LYS 33 1HE LYS 33 11.269 1.221 -0.028 231 HE3 LYS 33 2HE LYS 33 11.529 2.935 -0.350 232 HZ1 LYS 33 3HZ LYS 33 11.844 2.534 2.390 233 HZ2 LYS 33 1HZ LYS 33 13.030 2.952 1.257 234 HZ3 LYS 33 2HZ LYS 33 12.733 1.324 1.610 235 H ILE 34 H ILE 34 6.806 5.360 -2.532 236 HA ILE 34 HA ILE 34 8.224 7.672 -3.207 237 HB ILE 34 HB ILE 34 6.676 8.000 -4.976 238 HG12 ILE 34 1HG1 ILE 34 4.752 6.105 -3.621 239 HG13 ILE 34 2HG1 ILE 34 4.646 7.856 -3.471 240 HG21 ILE 34 1HG2 ILE 34 6.182 5.287 -5.332 241 HG22 ILE 34 2HG2 ILE 34 7.596 6.188 -5.878 242 HG23 ILE 34 3HG2 ILE 34 7.629 5.352 -4.326 243 HD11 ILE 34 3HD1 ILE 34 3.134 6.833 -5.173 244 HD12 ILE 34 1HD1 ILE 34 4.192 8.105 -5.785 245 HD13 ILE 34 2HD1 ILE 34 4.571 6.412 -6.104 246 H HIS 35 H HIS 35 5.324 7.227 -1.307 247 HA HIS 35 HA HIS 35 4.537 9.969 -1.294 248 HB2 HIS 35 1HB HIS 35 3.787 7.567 0.352 249 HB3 HIS 35 2HB HIS 35 3.198 9.172 0.773 250 HD1 HIS 35 HD1 HIS 35 1.303 10.124 -0.611 251 HD2 HIS 35 HD2 HIS 35 2.799 6.558 -2.131 252 HE1 HIS 35 HE1 HIS 35 -0.313 9.429 -2.408 253 H THR 36 H THR 36 6.772 8.056 0.538 254 HA THR 36 HA THR 36 7.003 9.397 2.919 255 HB THR 36 HB THR 36 8.358 7.376 2.027 256 HG1 THR 36 HG1 THR 36 9.980 9.147 3.490 257 HG21 THR 36 3HG2 THR 36 10.549 9.325 1.554 258 HG22 THR 36 1HG2 THR 36 9.383 9.080 0.255 259 HG23 THR 36 2HG2 THR 36 10.305 7.713 0.882 260 H ARG 37 H ARG 37 7.865 10.506 -0.248 261 HA ARG 37 HA ARG 37 9.144 12.889 0.913 262 HB2 ARG 37 1HB ARG 37 10.115 13.247 -1.333 263 HB3 ARG 37 2HB ARG 37 10.593 11.708 -0.631 264 HG2 ARG 37 1HG ARG 37 9.276 10.483 -2.096 265 HG3 ARG 37 2HG ARG 37 8.262 11.872 -2.496 266 HD2 ARG 37 1HD ARG 37 9.665 11.462 -4.372 267 HD3 ARG 37 2HD ARG 37 10.274 12.910 -3.572 268 HE ARG 37 HE ARG 37 11.775 10.980 -2.466 269 HH11 ARG 37 1HH1 ARG 37 10.978 11.708 -5.776 270 HH12 ARG 37 2HH1 ARG 37 12.467 11.089 -6.408 271 HH21 ARG 37 1HH2 ARG 37 13.740 10.162 -3.286 272 HH22 ARG 37 2HH2 ARG 37 14.037 10.208 -4.991 273 H LYS 38 H LYS 38 6.511 12.986 1.193 274 HA LYS 38 HA LYS 38 4.764 13.724 -0.717 275 HB2 LYS 38 1HB LYS 38 3.839 15.402 0.947 276 HB3 LYS 38 2HB LYS 38 4.023 13.753 1.531 277 HG2 LYS 38 1HG LYS 38 4.856 14.959 3.293 278 HG3 LYS 38 2HG LYS 38 6.330 14.607 2.387 279 HD2 LYS 38 1HD LYS 38 6.569 16.773 1.672 280 HD3 LYS 38 2HD LYS 38 4.837 17.105 1.755 281 HE2 LYS 38 1HE LYS 38 5.041 16.980 4.257 282 HE3 LYS 38 2HE LYS 38 6.790 16.918 4.042 283 HZ1 LYS 38 3HZ LYS 38 5.346 19.177 4.304 284 HZ2 LYS 38 1HZ LYS 38 5.509 19.074 2.623 285 HZ3 LYS 38 2HZ LYS 38 6.885 19.093 3.607 286 H SER 39 H SER 39 7.578 15.514 0.257 287 HA SER 39 HA SER 39 7.140 18.072 -0.501 288 HB2 SER 39 1HB SER 39 9.345 16.877 0.211 289 HB3 SER 39 2HB SER 39 9.611 16.701 -1.524 290 HG SER 39 HG SER 39 10.378 18.651 -1.369 291 H GLY 40 H GLY 40 7.904 15.400 -2.722 292 HA2 GLY 40 1HA GLY 40 6.695 15.269 -4.829 293 HA3 GLY 40 2HA GLY 40 6.740 17.025 -4.894 294 HA PRO 41 HA PRO 41 10.108 15.510 -7.644 295 HB2 PRO 41 1HB PRO 41 9.687 17.391 -9.555 296 HB3 PRO 41 2HB PRO 41 8.792 15.868 -9.492 297 HG2 PRO 41 1HG PRO 41 7.973 18.587 -8.545 298 HG3 PRO 41 2HG PRO 41 7.026 17.379 -9.433 299 HD2 PRO 41 1HD PRO 41 6.786 17.742 -6.760 300 HD3 PRO 41 2HD PRO 41 6.567 16.158 -7.532 301 H SER 42 H SER 42 9.216 18.799 -6.682 302 HA SER 42 HA SER 42 11.459 20.225 -7.293 303 HB2 SER 42 1HB SER 42 9.685 21.420 -6.297 304 HB3 SER 42 2HB SER 42 9.649 20.360 -4.888 305 HG SER 42 HG SER 42 11.603 22.297 -5.562 306 H SER 43 H SER 43 13.443 20.658 -6.333 307 HA SER 43 HA SER 43 15.444 19.878 -5.503 308 HB2 SER 43 1HB SER 43 13.553 20.260 -3.231 309 HB3 SER 43 2HB SER 43 15.112 19.515 -2.881 310 HG SER 43 HG SER 43 14.567 22.078 -3.925 311 H GLY 44 H GLY 44 14.052 17.782 -6.730 312 HA2 GLY 44 1HA GLY 44 15.388 15.541 -6.182 313 HA3 GLY 44 2HA GLY 44 14.161 15.501 -4.925 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -29.616 3.718 10.197 2 HA2 GLY 1 1HA GLY 1 -28.968 1.819 11.635 3 HA3 GLY 1 2HA GLY 1 -30.642 1.293 11.541 4 H SER 2 H SER 2 -27.628 1.614 9.778 5 HA SER 2 HA SER 2 -28.677 0.158 7.493 6 HB2 SER 2 1HB SER 2 -27.133 1.986 7.048 7 HB3 SER 2 2HB SER 2 -25.911 1.242 8.078 8 HG SER 2 HG SER 2 -25.943 -0.550 6.594 9 H SER 3 H SER 3 -28.216 -1.925 6.963 10 HA SER 3 HA SER 3 -26.717 -3.482 8.966 11 HB2 SER 3 1HB SER 3 -29.038 -4.313 7.210 12 HB3 SER 3 2HB SER 3 -28.119 -5.420 8.229 13 HG SER 3 HG SER 3 -29.249 -3.106 9.351 14 H GLY 4 H GLY 4 -25.430 -5.244 8.225 15 HA2 GLY 4 1HA GLY 4 -24.310 -4.741 5.565 16 HA3 GLY 4 2HA GLY 4 -23.540 -5.651 6.856 17 H SER 5 H SER 5 -24.625 -6.043 3.889 18 HA SER 5 HA SER 5 -26.147 -8.490 4.278 19 HB2 SER 5 1HB SER 5 -26.785 -6.899 2.487 20 HB3 SER 5 2HB SER 5 -25.226 -7.175 1.709 21 HG SER 5 HG SER 5 -25.816 -9.355 1.446 22 H SER 6 H SER 6 -23.116 -7.526 2.673 23 HA SER 6 HA SER 6 -22.303 -10.266 2.317 24 HB2 SER 6 1HB SER 6 -21.733 -8.236 0.809 25 HB3 SER 6 2HB SER 6 -20.483 -7.889 2.004 26 HG SER 6 HG SER 6 -19.435 -9.207 0.681 27 H GLY 7 H GLY 7 -21.548 -11.449 3.939 28 HA2 GLY 7 1HA GLY 7 -20.688 -10.395 6.413 29 HA3 GLY 7 2HA GLY 7 -20.481 -12.056 5.878 30 H THR 8 H THR 8 -18.863 -9.373 6.856 31 HA THR 8 HA THR 8 -16.670 -9.149 5.153 32 HB THR 8 HB THR 8 -16.719 -8.799 8.157 33 HG1 THR 8 HG1 THR 8 -18.086 -7.482 6.492 34 HG21 THR 8 3HG2 THR 8 -14.844 -7.100 7.414 35 HG22 THR 8 1HG2 THR 8 -14.671 -8.224 6.067 36 HG23 THR 8 2HG2 THR 8 -14.462 -8.794 7.723 37 H ASP 9 H ASP 9 -15.688 -10.963 4.431 38 HA ASP 9 HA ASP 9 -14.784 -12.942 6.405 39 HB2 ASP 9 1HB ASP 9 -15.431 -13.064 3.493 40 HB3 ASP 9 2HB ASP 9 -14.228 -14.183 4.129 41 H SER 10 H SER 10 -13.607 -11.252 3.496 42 HA SER 10 HA SER 10 -10.862 -11.616 4.487 43 HB2 SER 10 1HB SER 10 -11.624 -12.411 2.129 44 HB3 SER 10 2HB SER 10 -11.536 -10.702 1.704 45 HG SER 10 HG SER 10 -9.575 -12.010 1.370 46 H LYS 11 H LYS 11 -9.383 -9.747 3.613 47 HA LYS 11 HA LYS 11 -10.718 -7.173 4.128 48 HB2 LYS 11 1HB LYS 11 -8.753 -6.440 5.396 49 HB3 LYS 11 2HB LYS 11 -9.492 -7.855 6.133 50 HG2 LYS 11 1HG LYS 11 -7.256 -8.256 4.214 51 HG3 LYS 11 2HG LYS 11 -6.891 -7.668 5.838 52 HD2 LYS 11 1HD LYS 11 -8.639 -10.068 5.424 53 HD3 LYS 11 2HD LYS 11 -6.880 -10.214 5.408 54 HE2 LYS 11 1HE LYS 11 -7.271 -10.586 7.624 55 HE3 LYS 11 2HE LYS 11 -7.104 -8.831 7.649 56 HZ1 LYS 11 3HZ LYS 11 -9.162 -8.653 8.406 57 HZ2 LYS 11 1HZ LYS 11 -9.278 -10.339 8.486 58 HZ3 LYS 11 2HZ LYS 11 -9.780 -9.522 7.092 59 H SER 12 H SER 12 -9.092 -5.317 3.553 60 HA SER 12 HA SER 12 -7.496 -5.972 1.196 61 HB2 SER 12 1HB SER 12 -9.861 -5.408 0.471 62 HB3 SER 12 2HB SER 12 -9.578 -3.783 1.094 63 HG SER 12 HG SER 12 -7.796 -4.958 -0.747 64 H TYR 13 H TYR 13 -5.920 -4.426 0.678 65 HA TYR 13 HA TYR 13 -5.430 -2.457 2.813 66 HB2 TYR 13 1HB TYR 13 -3.315 -3.526 0.959 67 HB3 TYR 13 2HB TYR 13 -3.112 -2.762 2.532 68 HD1 TYR 13 HD2 TYR 13 -4.773 -4.184 4.340 69 HD2 TYR 13 HD1 TYR 13 -2.596 -5.713 1.020 70 HE1 TYR 13 HE2 TYR 13 -4.707 -6.398 5.410 71 HE2 TYR 13 HE1 TYR 13 -2.525 -7.931 2.080 72 HH TYR 13 HH TYR 13 -3.786 -8.451 5.338 73 H ASN 14 H ASN 14 -5.391 -0.366 2.306 74 HA ASN 14 HA ASN 14 -5.080 0.388 -0.523 75 HB2 ASN 14 1HB ASN 14 -7.393 0.685 -0.103 76 HB3 ASN 14 2HB ASN 14 -7.095 1.383 1.486 77 HD21 ASN 14 1HD2 ASN 14 -7.817 2.044 -1.678 78 HD22 ASN 14 2HD2 ASN 14 -7.421 3.726 -1.705 79 H CYS 15 H CYS 15 -4.043 2.356 -0.942 80 HA CYS 15 HA CYS 15 -2.237 3.203 1.175 81 HB2 CYS 15 1HB CYS 15 -1.433 2.707 -1.152 82 HB3 CYS 15 2HB CYS 15 -2.323 4.123 -1.704 83 H ASN 16 H ASN 16 -3.943 4.231 2.435 84 HA ASN 16 HA ASN 16 -5.688 6.167 1.837 85 HB2 ASN 16 1HB ASN 16 -4.855 5.312 4.155 86 HB3 ASN 16 2HB ASN 16 -3.789 6.713 4.098 87 HD21 ASN 16 1HD2 ASN 16 -6.592 5.676 5.304 88 HD22 ASN 16 2HD2 ASN 16 -7.469 7.162 5.393 89 H GLU 17 H GLU 17 -2.192 6.572 1.891 90 HA GLU 17 HA GLU 17 -1.872 9.276 1.774 91 HB2 GLU 17 1HB GLU 17 -0.417 7.285 0.026 92 HB3 GLU 17 2HB GLU 17 0.147 8.894 0.455 93 HG2 GLU 17 1HG GLU 17 -0.363 6.694 2.441 94 HG3 GLU 17 2HG GLU 17 1.213 7.061 1.740 95 H CYS 18 H CYS 18 -2.235 7.226 -1.126 96 HA CYS 18 HA CYS 18 -3.201 9.593 -2.578 97 HB2 CYS 18 1HB CYS 18 -2.678 8.261 -4.630 98 HB3 CYS 18 2HB CYS 18 -1.272 8.605 -3.627 99 H GLY 19 H GLY 19 -3.898 6.175 -1.962 100 HA2 GLY 19 1HA GLY 19 -6.224 5.579 -1.511 101 HA3 GLY 19 2HA GLY 19 -6.686 6.711 -2.774 102 H LYS 20 H LYS 20 -4.391 3.990 -2.533 103 HA LYS 20 HA LYS 20 -5.711 2.798 -4.877 104 HB2 LYS 20 1HB LYS 20 -3.369 3.975 -5.189 105 HB3 LYS 20 2HB LYS 20 -2.764 2.476 -4.497 106 HG2 LYS 20 1HG LYS 20 -3.867 1.210 -6.272 107 HG3 LYS 20 2HG LYS 20 -4.473 2.715 -6.966 108 HD2 LYS 20 1HD LYS 20 -2.054 3.452 -7.132 109 HD3 LYS 20 2HD LYS 20 -1.618 1.785 -6.748 110 HE2 LYS 20 1HE LYS 20 -3.192 1.173 -8.704 111 HE3 LYS 20 2HE LYS 20 -3.022 2.865 -9.166 112 HZ1 LYS 20 3HZ LYS 20 -1.417 1.362 -10.264 113 HZ2 LYS 20 1HZ LYS 20 -0.736 1.017 -8.753 114 HZ3 LYS 20 2HZ LYS 20 -0.672 2.590 -9.370 115 H ALA 21 H ALA 21 -6.249 0.719 -4.651 116 HA ALA 21 HA ALA 21 -5.563 -0.636 -2.178 117 HB1 ALA 21 3HB ALA 21 -7.437 -1.852 -2.473 118 HB2 ALA 21 1HB ALA 21 -7.851 -0.558 -3.597 119 HB3 ALA 21 2HB ALA 21 -7.158 -2.063 -4.201 120 H PHE 22 H PHE 22 -4.090 -2.197 -1.963 121 HA PHE 22 HA PHE 22 -2.885 -3.304 -4.413 122 HB2 PHE 22 1HB PHE 22 -1.623 -2.772 -1.718 123 HB3 PHE 22 2HB PHE 22 -0.826 -3.633 -3.030 124 HD1 PHE 22 HD1 PHE 22 -2.227 -0.376 -2.009 125 HD2 PHE 22 HD2 PHE 22 0.185 -2.474 -4.818 126 HE1 PHE 22 HE1 PHE 22 -1.438 1.766 -2.926 127 HE2 PHE 22 HE2 PHE 22 0.979 -0.336 -5.739 128 HZ PHE 22 HZ PHE 22 0.168 1.788 -4.793 129 H THR 23 H THR 23 -3.475 -5.335 -4.746 130 HA THR 23 HA THR 23 -4.828 -7.014 -3.061 131 HB THR 23 HB THR 23 -4.664 -7.594 -5.372 132 HG1 THR 23 HG1 THR 23 -4.516 -9.322 -3.584 133 HG21 THR 23 3HG2 THR 23 -1.930 -8.582 -5.431 134 HG22 THR 23 1HG2 THR 23 -2.007 -6.843 -5.152 135 HG23 THR 23 2HG2 THR 23 -2.778 -7.542 -6.576 136 H ARG 24 H ARG 24 -1.366 -6.482 -3.243 137 HA ARG 24 HA ARG 24 -0.895 -8.551 -1.225 138 HB2 ARG 24 1HB ARG 24 1.012 -6.920 -2.909 139 HB3 ARG 24 2HB ARG 24 1.521 -8.074 -1.684 140 HG2 ARG 24 1HG ARG 24 0.930 -9.885 -2.941 141 HG3 ARG 24 2HG ARG 24 -0.328 -9.007 -3.813 142 HD2 ARG 24 1HD ARG 24 1.213 -7.983 -5.241 143 HD3 ARG 24 2HD ARG 24 2.571 -8.333 -4.172 144 HE ARG 24 HE ARG 24 1.320 -10.702 -5.173 145 HH11 ARG 24 1HH1 ARG 24 3.606 -8.184 -5.918 146 HH12 ARG 24 2HH1 ARG 24 4.496 -9.147 -7.050 147 HH21 ARG 24 1HH2 ARG 24 2.485 -11.981 -6.660 148 HH22 ARG 24 2HH2 ARG 24 3.857 -11.307 -7.472 149 H ILE 25 H ILE 25 0.558 -8.025 0.591 150 HA ILE 25 HA ILE 25 -0.220 -5.477 1.767 151 HB ILE 25 HB ILE 25 -0.455 -7.574 3.075 152 HG12 ILE 25 1HG1 ILE 25 0.972 -6.650 5.090 153 HG13 ILE 25 2HG1 ILE 25 1.241 -5.290 4.006 154 HG21 ILE 25 1HG2 ILE 25 1.935 -8.288 2.073 155 HG22 ILE 25 2HG2 ILE 25 2.435 -7.684 3.652 156 HG23 ILE 25 3HG2 ILE 25 1.247 -8.983 3.541 157 HD11 ILE 25 3HD1 ILE 25 -0.904 -5.668 5.716 158 HD12 ILE 25 1HD1 ILE 25 -0.767 -4.463 4.436 159 HD13 ILE 25 2HD1 ILE 25 -1.549 -6.010 4.111 160 H PHE 26 H PHE 26 2.645 -7.172 0.670 161 HA PHE 26 HA PHE 26 4.484 -5.246 1.745 162 HB2 PHE 26 1HB PHE 26 6.198 -6.508 0.635 163 HB3 PHE 26 2HB PHE 26 5.052 -7.655 1.320 164 HD1 PHE 26 HD1 PHE 26 3.381 -8.752 -0.183 165 HD2 PHE 26 HD2 PHE 26 6.634 -6.446 -1.672 166 HE1 PHE 26 HE1 PHE 26 3.107 -9.799 -2.393 167 HE2 PHE 26 HE2 PHE 26 6.365 -7.488 -3.884 168 HZ PHE 26 HZ PHE 26 4.599 -9.167 -4.247 169 H HIS 27 H HIS 27 3.099 -5.936 -1.438 170 HA HIS 27 HA HIS 27 4.558 -4.104 -2.947 171 HB2 HIS 27 1HB HIS 27 2.803 -5.914 -3.655 172 HB3 HIS 27 2HB HIS 27 1.653 -4.587 -3.515 173 HD2 HIS 27 HD2 HIS 27 4.181 -2.529 -4.851 174 HE1 HIS 27 HE1 HIS 27 3.030 -4.725 -8.293 175 HE2 HIS 27 HE2 HIS 27 4.306 -2.735 -7.426 176 H LEU 28 H LEU 28 2.241 -3.551 -0.518 177 HA LEU 28 HA LEU 28 1.430 -0.944 -1.475 178 HB2 LEU 28 1HB LEU 28 -0.285 -1.906 -0.296 179 HB3 LEU 28 2HB LEU 28 0.798 -2.657 0.874 180 HG LEU 28 HG LEU 28 1.135 -0.461 1.938 181 HD11 LEU 28 1HD1 LEU 28 0.417 0.674 -0.347 182 HD12 LEU 28 2HD1 LEU 28 0.218 1.486 1.205 183 HD13 LEU 28 3HD1 LEU 28 -1.158 0.686 0.446 184 HD21 LEU 28 3HD2 LEU 28 -1.260 -2.032 1.912 185 HD22 LEU 28 1HD2 LEU 28 -1.660 -0.340 2.209 186 HD23 LEU 28 2HD2 LEU 28 -0.506 -1.169 3.254 187 H THR 29 H THR 29 3.110 -2.107 1.452 188 HA THR 29 HA THR 29 3.926 0.317 2.467 189 HB THR 29 HB THR 29 4.264 -2.111 3.382 190 HG1 THR 29 HG1 THR 29 4.834 -0.592 4.797 191 HG21 THR 29 3HG2 THR 29 6.546 -2.930 3.177 192 HG22 THR 29 1HG2 THR 29 6.952 -1.590 2.106 193 HG23 THR 29 2HG2 THR 29 5.797 -2.817 1.585 194 H ARG 30 H ARG 30 5.561 -1.686 0.039 195 HA ARG 30 HA ARG 30 7.849 -0.053 -0.223 196 HB2 ARG 30 1HB ARG 30 8.363 -1.334 -2.168 197 HB3 ARG 30 2HB ARG 30 7.621 -2.431 -1.011 198 HG2 ARG 30 1HG ARG 30 5.636 -2.563 -2.225 199 HG3 ARG 30 2HG ARG 30 6.000 -1.106 -3.152 200 HD2 ARG 30 1HD ARG 30 6.311 -3.021 -4.568 201 HD3 ARG 30 2HD ARG 30 7.887 -2.315 -4.213 202 HE ARG 30 HE ARG 30 7.189 -4.416 -2.403 203 HH11 ARG 30 1HH1 ARG 30 8.497 -3.718 -5.552 204 HH12 ARG 30 2HH1 ARG 30 9.396 -5.196 -5.650 205 HH21 ARG 30 1HH2 ARG 30 8.368 -6.365 -2.519 206 HH22 ARG 30 2HH2 ARG 30 9.322 -6.701 -3.924 207 H HIS 31 H HIS 31 4.645 0.126 -1.560 208 HA HIS 31 HA HIS 31 5.275 1.925 -3.687 209 HB2 HIS 31 1HB HIS 31 3.283 0.850 -4.108 210 HB3 HIS 31 2HB HIS 31 2.776 0.898 -2.422 211 HD1 HIS 31 HD1 HIS 31 2.497 2.714 -5.618 212 HD2 HIS 31 HD2 HIS 31 1.628 3.396 -1.613 213 HE1 HIS 31 HE1 HIS 31 0.973 4.715 -5.591 214 H GLN 32 H GLN 32 3.660 2.386 -0.540 215 HA GLN 32 HA GLN 32 3.167 5.027 -0.493 216 HB2 GLN 32 1HB GLN 32 4.320 3.275 1.662 217 HB3 GLN 32 2HB GLN 32 3.929 4.962 1.968 218 HG2 GLN 32 1HG GLN 32 1.601 4.469 1.195 219 HG3 GLN 32 2HG GLN 32 2.046 2.764 1.160 220 HE21 GLN 32 1HE2 GLN 32 1.437 1.694 2.884 221 HE22 GLN 32 2HE2 GLN 32 1.307 2.321 4.488 222 H LYS 33 H LYS 33 6.305 3.568 -0.604 223 HA LYS 33 HA LYS 33 7.965 5.541 0.359 224 HB2 LYS 33 1HB LYS 33 8.468 3.901 -2.130 225 HB3 LYS 33 2HB LYS 33 9.684 4.657 -1.109 226 HG2 LYS 33 1HG LYS 33 7.811 2.479 -0.210 227 HG3 LYS 33 2HG LYS 33 9.472 2.225 -0.752 228 HD2 LYS 33 1HD LYS 33 9.830 2.354 1.499 229 HD3 LYS 33 2HD LYS 33 9.962 4.066 1.091 230 HE2 LYS 33 1HE LYS 33 7.368 4.028 1.523 231 HE3 LYS 33 2HE LYS 33 7.766 2.599 2.475 232 HZ1 LYS 33 3HZ LYS 33 9.007 5.272 2.835 233 HZ2 LYS 33 1HZ LYS 33 9.281 3.902 3.789 234 HZ3 LYS 33 2HZ LYS 33 7.763 4.647 3.796 235 H ILE 34 H ILE 34 6.653 5.257 -2.935 236 HA ILE 34 HA ILE 34 7.840 7.385 -4.168 237 HB ILE 34 HB ILE 34 5.931 7.547 -5.632 238 HG12 ILE 34 1HG1 ILE 34 4.320 5.649 -3.986 239 HG13 ILE 34 2HG1 ILE 34 4.348 7.343 -3.511 240 HG21 ILE 34 1HG2 ILE 34 6.166 5.493 -6.554 241 HG22 ILE 34 2HG2 ILE 34 7.423 5.347 -5.326 242 HG23 ILE 34 3HG2 ILE 34 5.827 4.653 -5.041 243 HD11 ILE 34 3HD1 ILE 34 2.806 7.784 -5.024 244 HD12 ILE 34 1HD1 ILE 34 3.890 7.234 -6.301 245 HD13 ILE 34 2HD1 ILE 34 2.798 6.092 -5.518 246 H HIS 35 H HIS 35 5.536 7.470 -1.599 247 HA HIS 35 HA HIS 35 4.850 10.256 -2.004 248 HB2 HIS 35 1HB HIS 35 4.205 8.443 0.329 249 HB3 HIS 35 2HB HIS 35 3.473 10.008 -0.011 250 HD1 HIS 35 HD1 HIS 35 2.854 9.644 -3.003 251 HD2 HIS 35 HD2 HIS 35 2.095 6.775 -0.095 252 HE1 HIS 35 HE1 HIS 35 1.038 8.186 -3.954 253 H THR 36 H THR 36 7.620 9.781 -1.699 254 HA THR 36 HA THR 36 8.131 11.067 0.906 255 HB THR 36 HB THR 36 9.105 8.741 0.598 256 HG1 THR 36 HG1 THR 36 9.933 10.412 2.063 257 HG21 THR 36 3HG2 THR 36 10.287 8.297 -1.236 258 HG22 THR 36 1HG2 THR 36 11.472 9.511 -0.756 259 HG23 THR 36 2HG2 THR 36 10.107 9.965 -1.778 260 H ARG 37 H ARG 37 7.402 12.589 -1.299 261 HA ARG 37 HA ARG 37 9.950 13.875 -2.036 262 HB2 ARG 37 1HB ARG 37 7.360 13.802 -3.596 263 HB3 ARG 37 2HB ARG 37 8.795 14.707 -4.061 264 HG2 ARG 37 1HG ARG 37 8.835 11.732 -3.662 265 HG3 ARG 37 2HG ARG 37 8.419 12.480 -5.205 266 HD2 ARG 37 1HD ARG 37 10.969 13.079 -3.723 267 HD3 ARG 37 2HD ARG 37 10.833 11.788 -4.916 268 HE ARG 37 HE ARG 37 10.001 14.405 -5.826 269 HH11 ARG 37 1HH1 ARG 37 12.592 12.093 -5.571 270 HH12 ARG 37 2HH1 ARG 37 13.504 12.776 -6.877 271 HH21 ARG 37 1HH2 ARG 37 11.192 15.312 -7.547 272 HH22 ARG 37 2HH2 ARG 37 12.707 14.607 -7.999 273 H LYS 38 H LYS 38 6.868 14.219 -0.570 274 HA LYS 38 HA LYS 38 7.025 17.139 -0.579 275 HB2 LYS 38 1HB LYS 38 4.879 15.206 0.293 276 HB3 LYS 38 2HB LYS 38 4.783 16.935 0.602 277 HG2 LYS 38 1HG LYS 38 3.555 16.702 -1.333 278 HG3 LYS 38 2HG LYS 38 5.143 17.166 -1.949 279 HD2 LYS 38 1HD LYS 38 4.451 15.372 -3.307 280 HD3 LYS 38 2HD LYS 38 5.611 14.674 -2.173 281 HE2 LYS 38 1HE LYS 38 3.491 14.175 -0.744 282 HE3 LYS 38 2HE LYS 38 2.637 14.378 -2.273 283 HZ1 LYS 38 3HZ LYS 38 3.087 12.135 -2.239 284 HZ2 LYS 38 1HZ LYS 38 4.601 12.324 -1.509 285 HZ3 LYS 38 2HZ LYS 38 4.394 12.721 -3.139 286 H SER 39 H SER 39 7.053 18.364 1.333 287 HA SER 39 HA SER 39 7.675 18.903 3.455 288 HB2 SER 39 1HB SER 39 5.836 17.322 4.069 289 HB3 SER 39 2HB SER 39 7.031 16.027 4.146 290 HG SER 39 HG SER 39 6.370 17.573 6.092 291 H GLY 40 H GLY 40 9.660 18.139 1.617 292 HA2 GLY 40 1HA GLY 40 11.851 17.723 3.374 293 HA3 GLY 40 2HA GLY 40 11.507 16.253 2.475 294 HA PRO 41 HA PRO 41 13.914 19.605 -0.018 295 HB2 PRO 41 1HB PRO 41 16.482 19.044 0.661 296 HB3 PRO 41 2HB PRO 41 15.509 20.256 1.502 297 HG2 PRO 41 1HG PRO 41 16.104 17.429 2.286 298 HG3 PRO 41 2HG PRO 41 16.089 18.889 3.292 299 HD2 PRO 41 1HD PRO 41 14.031 17.130 3.247 300 HD3 PRO 41 2HD PRO 41 13.794 18.871 3.506 301 H SER 42 H SER 42 15.407 19.125 -1.798 302 HA SER 42 HA SER 42 14.853 16.600 -2.968 303 HB2 SER 42 1HB SER 42 15.324 18.870 -4.125 304 HB3 SER 42 2HB SER 42 17.025 18.443 -3.939 305 HG SER 42 HG SER 42 16.439 16.426 -5.030 306 H SER 43 H SER 43 16.015 14.766 -3.059 307 HA SER 43 HA SER 43 18.476 14.663 -1.476 308 HB2 SER 43 1HB SER 43 16.642 13.083 -0.920 309 HB3 SER 43 2HB SER 43 16.783 12.386 -2.533 310 HG SER 43 HG SER 43 18.697 12.361 -0.447 311 H GLY 44 H GLY 44 19.955 15.493 -2.965 312 HA2 GLY 44 1HA GLY 44 21.579 14.001 -4.395 313 HA3 GLY 44 2HA GLY 44 20.238 14.102 -5.526 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -28.743 -16.711 20.520 2 HA2 GLY 1 1HA GLY 1 -26.932 -14.441 21.078 3 HA3 GLY 1 2HA GLY 1 -26.598 -16.077 21.627 4 H SER 2 H SER 2 -25.265 -14.082 19.716 5 HA SER 2 HA SER 2 -24.899 -15.995 17.503 6 HB2 SER 2 1HB SER 2 -24.809 -12.971 17.363 7 HB3 SER 2 2HB SER 2 -24.431 -14.061 16.028 8 HG SER 2 HG SER 2 -26.483 -14.148 15.644 9 H SER 3 H SER 3 -22.907 -16.761 17.303 10 HA SER 3 HA SER 3 -20.833 -16.281 19.038 11 HB2 SER 3 1HB SER 3 -19.350 -17.265 17.237 12 HB3 SER 3 2HB SER 3 -20.765 -18.231 17.655 13 HG SER 3 HG SER 3 -20.329 -16.631 15.369 14 H GLY 4 H GLY 4 -21.645 -14.571 16.085 15 HA2 GLY 4 1HA GLY 4 -20.993 -12.463 15.399 16 HA3 GLY 4 2HA GLY 4 -20.048 -12.322 16.874 17 H SER 5 H SER 5 -19.667 -12.016 13.762 18 HA SER 5 HA SER 5 -17.445 -13.755 13.230 19 HB2 SER 5 1HB SER 5 -18.384 -11.299 11.727 20 HB3 SER 5 2HB SER 5 -17.234 -12.497 11.133 21 HG SER 5 HG SER 5 -19.898 -12.553 11.022 22 H SER 6 H SER 6 -15.441 -13.471 13.920 23 HA SER 6 HA SER 6 -14.612 -11.182 15.355 24 HB2 SER 6 1HB SER 6 -13.153 -13.580 14.263 25 HB3 SER 6 2HB SER 6 -12.292 -12.275 15.080 26 HG SER 6 HG SER 6 -14.151 -12.732 16.720 27 H GLY 7 H GLY 7 -14.342 -9.254 14.432 28 HA2 GLY 7 1HA GLY 7 -13.601 -7.617 13.005 29 HA3 GLY 7 2HA GLY 7 -12.289 -8.718 12.611 30 H THR 8 H THR 8 -12.129 -9.174 10.531 31 HA THR 8 HA THR 8 -14.572 -9.551 8.956 32 HB THR 8 HB THR 8 -13.483 -8.310 7.047 33 HG1 THR 8 HG1 THR 8 -11.817 -6.866 7.601 34 HG21 THR 8 3HG2 THR 8 -15.304 -7.358 8.440 35 HG22 THR 8 1HG2 THR 8 -14.209 -6.132 7.803 36 HG23 THR 8 2HG2 THR 8 -14.084 -6.637 9.488 37 H ASP 9 H ASP 9 -14.487 -11.333 7.751 38 HA ASP 9 HA ASP 9 -12.338 -13.116 7.825 39 HB2 ASP 9 1HB ASP 9 -13.595 -14.103 5.738 40 HB3 ASP 9 2HB ASP 9 -14.340 -14.160 7.333 41 H SER 10 H SER 10 -13.338 -10.841 5.295 42 HA SER 10 HA SER 10 -10.782 -11.346 3.923 43 HB2 SER 10 1HB SER 10 -13.498 -10.564 2.931 44 HB3 SER 10 2HB SER 10 -12.073 -10.085 2.010 45 HG SER 10 HG SER 10 -11.582 -12.522 2.432 46 H LYS 11 H LYS 11 -9.348 -9.735 3.670 47 HA LYS 11 HA LYS 11 -10.187 -7.004 4.380 48 HB2 LYS 11 1HB LYS 11 -8.210 -6.645 5.655 49 HB3 LYS 11 2HB LYS 11 -8.902 -8.161 6.219 50 HG2 LYS 11 1HG LYS 11 -7.282 -9.427 4.982 51 HG3 LYS 11 2HG LYS 11 -6.655 -7.960 4.225 52 HD2 LYS 11 1HD LYS 11 -5.123 -8.370 5.926 53 HD3 LYS 11 2HD LYS 11 -6.208 -7.178 6.648 54 HE2 LYS 11 1HE LYS 11 -6.795 -10.082 6.995 55 HE3 LYS 11 2HE LYS 11 -5.518 -9.345 7.961 56 HZ1 LYS 11 3HZ LYS 11 -8.303 -9.211 8.338 57 HZ2 LYS 11 1HZ LYS 11 -7.718 -7.647 8.065 58 HZ3 LYS 11 2HZ LYS 11 -7.074 -8.584 9.317 59 H SER 12 H SER 12 -8.323 -5.418 3.745 60 HA SER 12 HA SER 12 -6.931 -6.214 1.320 61 HB2 SER 12 1HB SER 12 -7.921 -4.562 -0.098 62 HB3 SER 12 2HB SER 12 -9.250 -5.448 0.648 63 HG SER 12 HG SER 12 -8.785 -2.844 0.720 64 H TYR 13 H TYR 13 -5.324 -4.692 0.646 65 HA TYR 13 HA TYR 13 -4.559 -2.811 2.781 66 HB2 TYR 13 1HB TYR 13 -2.619 -4.055 0.845 67 HB3 TYR 13 2HB TYR 13 -2.284 -3.297 2.398 68 HD1 TYR 13 HD2 TYR 13 -3.700 -4.523 4.399 69 HD2 TYR 13 HD1 TYR 13 -2.344 -6.336 0.796 70 HE1 TYR 13 HE2 TYR 13 -3.761 -6.726 5.491 71 HE2 TYR 13 HE1 TYR 13 -2.403 -8.544 1.878 72 HH TYR 13 HH TYR 13 -3.998 -9.379 4.268 73 H ASN 14 H ASN 14 -5.442 -0.947 1.984 74 HA ASN 14 HA ASN 14 -4.655 -0.124 -0.726 75 HB2 ASN 14 1HB ASN 14 -6.701 1.301 0.953 76 HB3 ASN 14 2HB ASN 14 -6.540 1.269 -0.801 77 HD21 ASN 14 1HD2 ASN 14 -7.834 -0.037 -1.877 78 HD22 ASN 14 2HD2 ASN 14 -8.719 -1.362 -1.209 79 H CYS 15 H CYS 15 -3.980 2.088 -1.060 80 HA CYS 15 HA CYS 15 -2.209 2.980 1.055 81 HB2 CYS 15 1HB CYS 15 -1.377 2.896 -1.247 82 HB3 CYS 15 2HB CYS 15 -2.627 4.029 -1.752 83 H ASN 16 H ASN 16 -2.479 4.726 2.317 84 HA ASN 16 HA ASN 16 -4.943 6.283 1.947 85 HB2 ASN 16 1HB ASN 16 -4.691 5.053 4.092 86 HB3 ASN 16 2HB ASN 16 -3.242 5.994 4.433 87 HD21 ASN 16 1HD2 ASN 16 -3.706 7.370 5.987 88 HD22 ASN 16 2HD2 ASN 16 -5.106 8.380 6.065 89 H GLU 17 H GLU 17 -2.704 6.900 0.358 90 HA GLU 17 HA GLU 17 -2.028 9.560 1.420 91 HB2 GLU 17 1HB GLU 17 -0.195 7.705 -0.110 92 HB3 GLU 17 2HB GLU 17 0.179 9.373 0.301 93 HG2 GLU 17 1HG GLU 17 -0.462 7.300 2.375 94 HG3 GLU 17 2HG GLU 17 1.173 7.588 1.783 95 H CYS 18 H CYS 18 -2.651 7.527 -1.371 96 HA CYS 18 HA CYS 18 -3.149 9.961 -2.957 97 HB2 CYS 18 1HB CYS 18 -2.507 8.688 -4.965 98 HB3 CYS 18 2HB CYS 18 -1.182 8.792 -3.811 99 H GLY 19 H GLY 19 -4.082 6.602 -2.353 100 HA2 GLY 19 1HA GLY 19 -6.486 6.189 -2.066 101 HA3 GLY 19 2HA GLY 19 -6.752 7.261 -3.433 102 H LYS 20 H LYS 20 -4.542 4.518 -2.906 103 HA LYS 20 HA LYS 20 -5.698 3.267 -5.312 104 HB2 LYS 20 1HB LYS 20 -2.856 3.505 -4.386 105 HB3 LYS 20 2HB LYS 20 -3.338 2.150 -5.399 106 HG2 LYS 20 1HG LYS 20 -4.296 3.934 -6.978 107 HG3 LYS 20 2HG LYS 20 -3.310 5.071 -6.055 108 HD2 LYS 20 1HD LYS 20 -2.041 2.578 -7.081 109 HD3 LYS 20 2HD LYS 20 -2.370 3.891 -8.214 110 HE2 LYS 20 1HE LYS 20 -1.138 5.427 -6.697 111 HE3 LYS 20 2HE LYS 20 -0.719 4.039 -5.694 112 HZ1 LYS 20 3HZ LYS 20 -0.073 3.540 -8.408 113 HZ2 LYS 20 1HZ LYS 20 0.940 3.539 -7.053 114 HZ3 LYS 20 2HZ LYS 20 0.655 4.978 -7.893 115 H ALA 21 H ALA 21 -5.260 0.847 -5.375 116 HA ALA 21 HA ALA 21 -5.522 -0.304 -2.675 117 HB1 ALA 21 3HB ALA 21 -7.323 -1.603 -3.271 118 HB2 ALA 21 1HB ALA 21 -7.641 -0.135 -4.196 119 HB3 ALA 21 2HB ALA 21 -6.936 -1.543 -4.990 120 H PHE 22 H PHE 22 -4.523 -2.255 -2.297 121 HA PHE 22 HA PHE 22 -3.103 -3.537 -4.511 122 HB2 PHE 22 1HB PHE 22 -1.729 -2.845 -1.910 123 HB3 PHE 22 2HB PHE 22 -1.002 -3.577 -3.336 124 HD1 PHE 22 HD1 PHE 22 -2.469 -0.475 -1.985 125 HD2 PHE 22 HD2 PHE 22 -0.223 -2.256 -5.131 126 HE1 PHE 22 HE1 PHE 22 -1.875 1.761 -2.823 127 HE2 PHE 22 HE2 PHE 22 0.375 -0.023 -5.974 128 HZ PHE 22 HZ PHE 22 -0.451 1.989 -4.819 129 H THR 23 H THR 23 -3.714 -5.588 -4.492 130 HA THR 23 HA THR 23 -5.012 -6.869 -2.368 131 HB THR 23 HB THR 23 -5.274 -7.654 -4.655 132 HG1 THR 23 HG1 THR 23 -5.358 -9.151 -2.761 133 HG21 THR 23 3HG2 THR 23 -3.593 -8.322 -6.025 134 HG22 THR 23 1HG2 THR 23 -2.656 -9.030 -4.709 135 HG23 THR 23 2HG2 THR 23 -2.629 -7.287 -4.973 136 H ARG 24 H ARG 24 -1.644 -6.485 -3.088 137 HA ARG 24 HA ARG 24 -0.914 -8.466 -1.050 138 HB2 ARG 24 1HB ARG 24 0.703 -7.072 -3.184 139 HB3 ARG 24 2HB ARG 24 1.426 -8.066 -1.926 140 HG2 ARG 24 1HG ARG 24 0.461 -10.024 -2.756 141 HG3 ARG 24 2HG ARG 24 -0.715 -9.138 -3.728 142 HD2 ARG 24 1HD ARG 24 1.045 -8.357 -5.198 143 HD3 ARG 24 2HD ARG 24 2.265 -9.135 -4.191 144 HE ARG 24 HE ARG 24 1.800 -11.108 -5.240 145 HH11 ARG 24 1HH1 ARG 24 -0.853 -8.914 -5.755 146 HH12 ARG 24 2HH1 ARG 24 -1.678 -9.964 -6.858 147 HH21 ARG 24 1HH2 ARG 24 0.723 -12.500 -6.691 148 HH22 ARG 24 2HH2 ARG 24 -0.781 -12.004 -7.389 149 H ILE 25 H ILE 25 0.205 -7.923 0.782 150 HA ILE 25 HA ILE 25 -0.062 -5.229 1.705 151 HB ILE 25 HB ILE 25 -0.318 -7.142 3.228 152 HG12 ILE 25 1HG1 ILE 25 1.307 -6.276 5.023 153 HG13 ILE 25 2HG1 ILE 25 1.858 -5.137 3.799 154 HG21 ILE 25 1HG2 ILE 25 1.396 -8.599 3.806 155 HG22 ILE 25 2HG2 ILE 25 1.611 -8.401 2.068 156 HG23 ILE 25 3HG2 ILE 25 2.651 -7.524 3.190 157 HD11 ILE 25 3HD1 ILE 25 0.174 -4.207 5.344 158 HD12 ILE 25 1HD1 ILE 25 -0.323 -4.158 3.653 159 HD13 ILE 25 2HD1 ILE 25 -0.989 -5.384 4.734 160 H PHE 26 H PHE 26 2.647 -7.283 0.732 161 HA PHE 26 HA PHE 26 4.689 -5.444 1.406 162 HB2 PHE 26 1HB PHE 26 6.163 -6.952 0.459 163 HB3 PHE 26 2HB PHE 26 4.797 -8.003 0.817 164 HD1 PHE 26 HD2 PHE 26 6.173 -5.888 -1.923 165 HD2 PHE 26 HD1 PHE 26 3.958 -9.359 -0.844 166 HE1 PHE 26 HE2 PHE 26 6.074 -6.556 -4.289 167 HE2 PHE 26 HE1 PHE 26 3.856 -10.033 -3.209 168 HZ PHE 26 HZ PHE 26 4.914 -8.630 -4.935 169 H HIS 27 H HIS 27 2.779 -5.970 -1.498 170 HA HIS 27 HA HIS 27 4.283 -4.253 -3.186 171 HB2 HIS 27 1HB HIS 27 2.753 -5.992 -4.047 172 HB3 HIS 27 2HB HIS 27 1.382 -5.084 -3.415 173 HD2 HIS 27 HD2 HIS 27 4.323 -3.599 -5.600 174 HE1 HIS 27 HE1 HIS 27 0.623 -2.986 -7.584 175 HE2 HIS 27 HE2 HIS 27 3.115 -2.630 -7.672 176 H LEU 28 H LEU 28 1.988 -3.689 -0.705 177 HA LEU 28 HA LEU 28 1.226 -1.061 -1.653 178 HB2 LEU 28 1HB LEU 28 -0.502 -2.106 -0.513 179 HB3 LEU 28 2HB LEU 28 0.570 -2.729 0.739 180 HG LEU 28 HG LEU 28 0.793 -0.421 1.625 181 HD11 LEU 28 1HD1 LEU 28 -0.442 1.372 0.821 182 HD12 LEU 28 2HD1 LEU 28 -1.537 0.337 -0.095 183 HD13 LEU 28 3HD1 LEU 28 0.119 0.580 -0.652 184 HD21 LEU 28 3HD2 LEU 28 -1.453 -0.327 2.614 185 HD22 LEU 28 1HD2 LEU 28 -0.797 -1.964 2.615 186 HD23 LEU 28 2HD2 LEU 28 -2.016 -1.503 1.426 187 H THR 29 H THR 29 3.051 -2.386 1.101 188 HA THR 29 HA THR 29 3.823 0.016 2.265 189 HB THR 29 HB THR 29 4.190 -2.451 3.056 190 HG1 THR 29 HG1 THR 29 6.366 -0.786 3.677 191 HG21 THR 29 3HG2 THR 29 6.465 -3.253 2.762 192 HG22 THR 29 1HG2 THR 29 6.852 -1.857 1.757 193 HG23 THR 29 2HG2 THR 29 5.689 -3.056 1.191 194 H ARG 30 H ARG 30 5.413 -1.860 -0.290 195 HA ARG 30 HA ARG 30 7.691 -0.212 -0.523 196 HB2 ARG 30 1HB ARG 30 8.181 -1.406 -2.514 197 HB3 ARG 30 2HB ARG 30 7.407 -2.556 -1.432 198 HG2 ARG 30 1HG ARG 30 5.519 -2.705 -2.709 199 HG3 ARG 30 2HG ARG 30 5.710 -1.081 -3.375 200 HD2 ARG 30 1HD ARG 30 7.497 -3.415 -4.044 201 HD3 ARG 30 2HD ARG 30 6.110 -2.919 -5.014 202 HE ARG 30 HE ARG 30 8.689 -1.714 -4.981 203 HH11 ARG 30 1HH1 ARG 30 5.296 -1.033 -5.362 204 HH12 ARG 30 2HH1 ARG 30 5.555 0.375 -6.338 205 HH21 ARG 30 1HH2 ARG 30 9.043 0.139 -6.264 206 HH22 ARG 30 2HH2 ARG 30 7.686 1.040 -6.851 207 H HIS 31 H HIS 31 4.478 0.384 -1.287 208 HA HIS 31 HA HIS 31 5.116 2.278 -3.425 209 HB2 HIS 31 1HB HIS 31 3.234 1.002 -4.016 210 HB3 HIS 31 2HB HIS 31 2.549 1.096 -2.396 211 HD1 HIS 31 HD1 HIS 31 3.228 3.376 -5.356 212 HD2 HIS 31 HD2 HIS 31 0.679 3.041 -2.093 213 HE1 HIS 31 HE1 HIS 31 1.540 5.219 -5.630 214 H GLN 32 H GLN 32 3.302 2.227 -0.355 215 HA GLN 32 HA GLN 32 2.717 4.877 -0.071 216 HB2 GLN 32 1HB GLN 32 3.492 2.803 1.961 217 HB3 GLN 32 2HB GLN 32 3.094 4.444 2.450 218 HG2 GLN 32 1HG GLN 32 0.957 3.971 0.960 219 HG3 GLN 32 2HG GLN 32 1.350 2.304 1.380 220 HE21 GLN 32 1HE2 GLN 32 0.835 1.560 3.346 221 HE22 GLN 32 2HE2 GLN 32 0.143 2.511 4.611 222 H LYS 33 H LYS 33 5.829 3.422 -0.031 223 HA LYS 33 HA LYS 33 7.110 5.682 1.267 224 HB2 LYS 33 1HB LYS 33 9.123 4.429 1.158 225 HB3 LYS 33 2HB LYS 33 7.854 3.282 1.566 226 HG2 LYS 33 1HG LYS 33 7.999 2.195 -0.427 227 HG3 LYS 33 2HG LYS 33 8.521 3.637 -1.302 228 HD2 LYS 33 1HD LYS 33 10.491 2.485 -1.278 229 HD3 LYS 33 2HD LYS 33 10.652 3.351 0.251 230 HE2 LYS 33 1HE LYS 33 9.393 1.214 1.173 231 HE3 LYS 33 2HE LYS 33 10.097 0.474 -0.264 232 HZ1 LYS 33 3HZ LYS 33 11.568 0.202 1.600 233 HZ2 LYS 33 1HZ LYS 33 11.576 1.867 1.902 234 HZ3 LYS 33 2HZ LYS 33 12.281 1.260 0.489 235 H ILE 34 H ILE 34 5.669 5.850 -1.384 236 HA ILE 34 HA ILE 34 7.908 6.926 -2.971 237 HB ILE 34 HB ILE 34 6.764 6.450 -4.974 238 HG12 ILE 34 1HG1 ILE 34 4.392 5.265 -4.640 239 HG13 ILE 34 2HG1 ILE 34 4.383 6.267 -3.193 240 HG21 ILE 34 1HG2 ILE 34 7.548 4.381 -4.671 241 HG22 ILE 34 2HG2 ILE 34 7.026 4.337 -2.988 242 HG23 ILE 34 3HG2 ILE 34 5.887 3.941 -4.275 243 HD11 ILE 34 3HD1 ILE 34 3.567 7.028 -5.697 244 HD12 ILE 34 1HD1 ILE 34 3.949 8.108 -4.357 245 HD13 ILE 34 2HD1 ILE 34 5.177 7.736 -5.567 246 H HIS 35 H HIS 35 5.320 7.772 -1.084 247 HA HIS 35 HA HIS 35 4.651 10.175 -2.612 248 HB2 HIS 35 1HB HIS 35 3.451 9.004 -0.095 249 HB3 HIS 35 2HB HIS 35 2.911 10.502 -0.847 250 HD1 HIS 35 HD1 HIS 35 2.433 9.956 -3.646 251 HD2 HIS 35 HD2 HIS 35 1.785 7.010 -0.789 252 HE1 HIS 35 HE1 HIS 35 0.850 8.320 -4.714 253 H THR 36 H THR 36 7.243 10.182 -1.719 254 HA THR 36 HA THR 36 7.271 11.833 0.701 255 HB THR 36 HB THR 36 9.776 11.613 0.505 256 HG1 THR 36 HG1 THR 36 9.328 9.460 -1.254 257 HG21 THR 36 3HG2 THR 36 8.012 9.197 0.824 258 HG22 THR 36 1HG2 THR 36 8.737 10.201 2.079 259 HG23 THR 36 2HG2 THR 36 9.751 9.131 1.110 260 H ARG 37 H ARG 37 8.431 11.875 -2.659 261 HA ARG 37 HA ARG 37 9.247 14.632 -2.481 262 HB2 ARG 37 1HB ARG 37 9.101 12.658 -4.755 263 HB3 ARG 37 2HB ARG 37 9.569 14.336 -4.993 264 HG2 ARG 37 1HG ARG 37 11.330 13.867 -3.167 265 HG3 ARG 37 2HG ARG 37 11.009 12.169 -3.525 266 HD2 ARG 37 1HD ARG 37 11.806 12.346 -5.699 267 HD3 ARG 37 2HD ARG 37 11.600 14.097 -5.735 268 HE ARG 37 HE ARG 37 13.546 13.206 -3.818 269 HH11 ARG 37 1HH1 ARG 37 12.998 14.079 -7.144 270 HH12 ARG 37 2HH1 ARG 37 14.651 14.505 -7.440 271 HH21 ARG 37 1HH2 ARG 37 15.725 13.764 -4.196 272 HH22 ARG 37 2HH2 ARG 37 16.202 14.325 -5.763 273 H LYS 38 H LYS 38 8.469 16.081 -4.406 274 HA LYS 38 HA LYS 38 5.819 16.790 -3.926 275 HB2 LYS 38 1HB LYS 38 7.858 17.512 -5.969 276 HB3 LYS 38 2HB LYS 38 6.187 17.940 -6.312 277 HG2 LYS 38 1HG LYS 38 7.193 19.817 -5.280 278 HG3 LYS 38 2HG LYS 38 6.119 19.086 -4.084 279 HD2 LYS 38 1HD LYS 38 8.960 18.210 -4.133 280 HD3 LYS 38 2HD LYS 38 8.597 19.810 -3.483 281 HE2 LYS 38 1HE LYS 38 7.031 18.831 -1.901 282 HE3 LYS 38 2HE LYS 38 7.322 17.230 -2.579 283 HZ1 LYS 38 3HZ LYS 38 9.138 16.997 -1.346 284 HZ2 LYS 38 1HZ LYS 38 8.675 18.387 -0.500 285 HZ3 LYS 38 2HZ LYS 38 9.750 18.507 -1.801 286 H SER 39 H SER 39 4.055 15.659 -4.383 287 HA SER 39 HA SER 39 3.983 14.114 -6.890 288 HB2 SER 39 1HB SER 39 2.838 13.597 -4.172 289 HB3 SER 39 2HB SER 39 2.019 12.937 -5.587 290 HG SER 39 HG SER 39 3.992 11.918 -6.149 291 H GLY 40 H GLY 40 1.836 15.862 -4.637 292 HA2 GLY 40 1HA GLY 40 0.372 17.607 -5.286 293 HA3 GLY 40 2HA GLY 40 0.487 17.052 -6.949 294 HA PRO 41 HA PRO 41 -2.635 14.181 -4.566 295 HB2 PRO 41 1HB PRO 41 -3.695 15.286 -2.324 296 HB3 PRO 41 2HB PRO 41 -2.250 14.268 -2.302 297 HG2 PRO 41 1HG PRO 41 -2.465 17.253 -2.248 298 HG3 PRO 41 2HG PRO 41 -1.407 16.190 -1.302 299 HD2 PRO 41 1HD PRO 41 -0.543 17.536 -3.487 300 HD3 PRO 41 2HD PRO 41 0.101 15.947 -3.028 301 H SER 42 H SER 42 -4.083 14.535 -6.179 302 HA SER 42 HA SER 42 -5.907 15.339 -7.276 303 HB2 SER 42 1HB SER 42 -6.561 16.656 -4.630 304 HB3 SER 42 2HB SER 42 -7.688 16.336 -5.948 305 HG SER 42 HG SER 42 -6.223 14.232 -4.788 306 H SER 43 H SER 43 -3.557 16.773 -7.625 307 HA SER 43 HA SER 43 -4.644 19.405 -8.265 308 HB2 SER 43 1HB SER 43 -3.369 19.437 -6.021 309 HB3 SER 43 2HB SER 43 -1.917 19.219 -6.999 310 HG SER 43 HG SER 43 -2.376 21.147 -8.051 311 H GLY 44 H GLY 44 -3.228 20.612 -9.781 312 HA2 GLY 44 1HA GLY 44 -1.609 18.763 -11.423 313 HA3 GLY 44 2HA GLY 44 -2.733 19.909 -12.138 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -22.003 -8.194 -14.006 2 HA2 GLY 1 1HA GLY 1 -23.017 -10.427 -14.289 3 HA3 GLY 1 2HA GLY 1 -21.607 -10.518 -13.244 4 H SER 2 H SER 2 -21.852 -11.358 -11.271 5 HA SER 2 HA SER 2 -24.600 -11.661 -10.246 6 HB2 SER 2 1HB SER 2 -22.325 -13.601 -10.377 7 HB3 SER 2 2HB SER 2 -23.470 -13.720 -9.041 8 HG SER 2 HG SER 2 -25.027 -13.508 -11.023 9 H SER 3 H SER 3 -24.621 -12.079 -7.824 10 HA SER 3 HA SER 3 -22.532 -10.514 -6.468 11 HB2 SER 3 1HB SER 3 -24.856 -9.355 -6.923 12 HB3 SER 3 2HB SER 3 -25.371 -10.318 -5.538 13 HG SER 3 HG SER 3 -22.990 -8.893 -5.293 14 H GLY 4 H GLY 4 -21.616 -11.620 -4.876 15 HA2 GLY 4 1HA GLY 4 -22.777 -12.875 -2.758 16 HA3 GLY 4 2HA GLY 4 -22.734 -14.124 -3.993 17 H SER 5 H SER 5 -21.234 -13.376 -1.338 18 HA SER 5 HA SER 5 -18.583 -14.132 -2.373 19 HB2 SER 5 1HB SER 5 -18.894 -11.697 -1.471 20 HB3 SER 5 2HB SER 5 -18.857 -12.472 0.113 21 HG SER 5 HG SER 5 -16.864 -12.978 -1.821 22 H SER 6 H SER 6 -17.215 -15.235 -0.761 23 HA SER 6 HA SER 6 -18.820 -17.140 0.746 24 HB2 SER 6 1HB SER 6 -15.947 -17.063 -0.147 25 HB3 SER 6 2HB SER 6 -16.487 -18.222 1.068 26 HG SER 6 HG SER 6 -17.326 -19.361 -0.473 27 H GLY 7 H GLY 7 -19.092 -17.047 2.876 28 HA2 GLY 7 1HA GLY 7 -18.876 -16.392 5.065 29 HA3 GLY 7 2HA GLY 7 -17.144 -16.401 4.764 30 H THR 8 H THR 8 -18.127 -14.608 6.534 31 HA THR 8 HA THR 8 -18.330 -12.062 5.085 32 HB THR 8 HB THR 8 -18.763 -12.509 8.040 33 HG1 THR 8 HG1 THR 8 -20.245 -13.659 6.514 34 HG21 THR 8 3HG2 THR 8 -20.280 -10.370 6.965 35 HG22 THR 8 1HG2 THR 8 -18.622 -10.185 6.393 36 HG23 THR 8 2HG2 THR 8 -18.951 -10.292 8.122 37 H ASP 9 H ASP 9 -15.821 -13.378 5.191 38 HA ASP 9 HA ASP 9 -14.306 -11.431 6.793 39 HB2 ASP 9 1HB ASP 9 -13.742 -14.384 6.484 40 HB3 ASP 9 2HB ASP 9 -12.574 -13.232 7.125 41 H SER 10 H SER 10 -13.059 -10.206 5.559 42 HA SER 10 HA SER 10 -11.580 -11.338 3.344 43 HB2 SER 10 1HB SER 10 -13.776 -10.744 2.335 44 HB3 SER 10 2HB SER 10 -13.528 -9.074 2.844 45 HG SER 10 HG SER 10 -11.764 -10.511 1.149 46 H LYS 11 H LYS 11 -9.673 -10.333 3.066 47 HA LYS 11 HA LYS 11 -9.199 -7.898 4.644 48 HB2 LYS 11 1HB LYS 11 -6.743 -8.590 4.297 49 HB3 LYS 11 2HB LYS 11 -7.718 -9.537 5.413 50 HG2 LYS 11 1HG LYS 11 -7.949 -11.304 3.860 51 HG3 LYS 11 2HG LYS 11 -7.305 -10.322 2.543 52 HD2 LYS 11 1HD LYS 11 -5.436 -11.528 3.055 53 HD3 LYS 11 2HD LYS 11 -5.216 -10.175 4.167 54 HE2 LYS 11 1HE LYS 11 -6.313 -11.511 5.939 55 HE3 LYS 11 2HE LYS 11 -6.406 -12.869 4.819 56 HZ1 LYS 11 3HZ LYS 11 -4.301 -12.211 6.488 57 HZ2 LYS 11 1HZ LYS 11 -3.764 -11.872 4.920 58 HZ3 LYS 11 2HZ LYS 11 -4.331 -13.418 5.304 59 H SER 12 H SER 12 -8.057 -6.156 3.756 60 HA SER 12 HA SER 12 -7.161 -6.154 1.041 61 HB2 SER 12 1HB SER 12 -8.783 -4.709 0.059 62 HB3 SER 12 2HB SER 12 -9.691 -6.003 0.841 63 HG SER 12 HG SER 12 -9.825 -3.370 1.276 64 H TYR 13 H TYR 13 -5.624 -4.653 0.807 65 HA TYR 13 HA TYR 13 -5.459 -2.536 2.850 66 HB2 TYR 13 1HB TYR 13 -3.120 -3.571 1.259 67 HB3 TYR 13 2HB TYR 13 -3.101 -2.657 2.763 68 HD1 TYR 13 HD2 TYR 13 -4.065 -3.821 4.851 69 HD2 TYR 13 HD1 TYR 13 -2.983 -5.899 1.300 70 HE1 TYR 13 HE2 TYR 13 -3.923 -5.917 6.129 71 HE2 TYR 13 HE1 TYR 13 -2.839 -8.002 2.568 72 HH TYR 13 HH TYR 13 -2.647 -8.166 5.841 73 H ASN 14 H ASN 14 -5.526 -0.485 2.199 74 HA ASN 14 HA ASN 14 -4.903 0.144 -0.601 75 HB2 ASN 14 1HB ASN 14 -7.313 1.196 0.898 76 HB3 ASN 14 2HB ASN 14 -6.849 1.617 -0.749 77 HD21 ASN 14 1HD2 ASN 14 -9.202 0.842 -0.865 78 HD22 ASN 14 2HD2 ASN 14 -9.418 -0.823 -1.273 79 H CYS 15 H CYS 15 -3.703 1.933 -0.877 80 HA CYS 15 HA CYS 15 -2.580 3.229 1.395 81 HB2 CYS 15 1HB CYS 15 -1.347 2.857 -0.730 82 HB3 CYS 15 2HB CYS 15 -2.401 4.026 -1.518 83 H ASN 16 H ASN 16 -3.062 5.131 2.337 84 HA ASN 16 HA ASN 16 -5.500 6.474 1.462 85 HB2 ASN 16 1HB ASN 16 -5.353 5.854 3.819 86 HB3 ASN 16 2HB ASN 16 -3.863 6.778 3.989 87 HD21 ASN 16 1HD2 ASN 16 -7.173 7.253 2.795 88 HD22 ASN 16 2HD2 ASN 16 -7.399 8.796 3.538 89 H GLU 17 H GLU 17 -2.067 7.004 1.734 90 HA GLU 17 HA GLU 17 -1.866 9.748 1.653 91 HB2 GLU 17 1HB GLU 17 -0.185 7.569 0.455 92 HB3 GLU 17 2HB GLU 17 0.225 9.257 0.186 93 HG2 GLU 17 1HG GLU 17 1.484 8.869 2.026 94 HG3 GLU 17 2HG GLU 17 -0.014 9.361 2.815 95 H CYS 18 H CYS 18 -2.303 7.524 -1.080 96 HA CYS 18 HA CYS 18 -2.969 9.848 -2.764 97 HB2 CYS 18 1HB CYS 18 -2.381 8.413 -4.698 98 HB3 CYS 18 2HB CYS 18 -1.023 8.665 -3.605 99 H GLY 19 H GLY 19 -3.814 6.454 -2.121 100 HA2 GLY 19 1HA GLY 19 -6.177 5.952 -1.720 101 HA3 GLY 19 2HA GLY 19 -6.561 7.095 -2.999 102 H LYS 20 H LYS 20 -4.575 4.167 -2.548 103 HA LYS 20 HA LYS 20 -5.775 3.088 -5.003 104 HB2 LYS 20 1HB LYS 20 -2.895 3.510 -4.388 105 HB3 LYS 20 2HB LYS 20 -3.332 2.025 -5.222 106 HG2 LYS 20 1HG LYS 20 -4.525 3.449 -6.914 107 HG3 LYS 20 2HG LYS 20 -3.788 4.851 -6.136 108 HD2 LYS 20 1HD LYS 20 -2.071 2.563 -7.001 109 HD3 LYS 20 2HD LYS 20 -2.634 3.734 -8.196 110 HE2 LYS 20 1HE LYS 20 -1.232 4.523 -5.652 111 HE3 LYS 20 2HE LYS 20 -0.376 4.199 -7.159 112 HZ1 LYS 20 3HZ LYS 20 -0.703 6.366 -7.529 113 HZ2 LYS 20 1HZ LYS 20 -1.948 6.493 -6.390 114 HZ3 LYS 20 2HZ LYS 20 -2.282 5.923 -7.947 115 H ALA 21 H ALA 21 -6.289 0.958 -4.941 116 HA ALA 21 HA ALA 21 -5.913 -0.401 -2.377 117 HB1 ALA 21 3HB ALA 21 -7.696 -1.875 -3.071 118 HB2 ALA 21 1HB ALA 21 -8.194 -0.198 -3.296 119 HB3 ALA 21 2HB ALA 21 -7.697 -1.165 -4.685 120 H PHE 22 H PHE 22 -4.584 -2.080 -2.125 121 HA PHE 22 HA PHE 22 -3.437 -3.310 -4.544 122 HB2 PHE 22 1HB PHE 22 -2.157 -2.826 -1.848 123 HB3 PHE 22 2HB PHE 22 -1.421 -3.776 -3.135 124 HD1 PHE 22 HD2 PHE 22 -0.670 -2.691 -5.202 125 HD2 PHE 22 HD1 PHE 22 -2.200 -0.444 -1.927 126 HE1 PHE 22 HE2 PHE 22 0.300 -0.643 -6.159 127 HE2 PHE 22 HE1 PHE 22 -1.234 1.608 -2.880 128 HZ PHE 22 HZ PHE 22 0.019 1.511 -4.998 129 H THR 23 H THR 23 -2.743 -5.562 -4.306 130 HA THR 23 HA THR 23 -4.669 -7.053 -2.679 131 HB THR 23 HB THR 23 -3.859 -9.014 -4.110 132 HG1 THR 23 HG1 THR 23 -2.226 -8.547 -5.364 133 HG21 THR 23 3HG2 THR 23 -5.169 -6.727 -5.581 134 HG22 THR 23 1HG2 THR 23 -6.002 -7.779 -4.437 135 HG23 THR 23 2HG2 THR 23 -5.334 -8.449 -5.926 136 H ARG 24 H ARG 24 -1.242 -6.563 -3.142 137 HA ARG 24 HA ARG 24 -0.570 -8.711 -1.291 138 HB2 ARG 24 1HB ARG 24 0.943 -6.998 -3.197 139 HB3 ARG 24 2HB ARG 24 1.809 -7.613 -1.796 140 HG2 ARG 24 1HG ARG 24 2.076 -9.055 -3.750 141 HG3 ARG 24 2HG ARG 24 1.267 -9.889 -2.422 142 HD2 ARG 24 1HD ARG 24 -0.766 -9.921 -3.501 143 HD3 ARG 24 2HD ARG 24 -0.381 -8.513 -4.490 144 HE ARG 24 HE ARG 24 0.620 -9.898 -6.035 145 HH11 ARG 24 1HH1 ARG 24 -0.090 -11.677 -3.128 146 HH12 ARG 24 2HH1 ARG 24 0.246 -13.222 -3.836 147 HH21 ARG 24 1HH2 ARG 24 1.065 -11.926 -6.979 148 HH22 ARG 24 2HH2 ARG 24 0.904 -13.363 -6.026 149 H ILE 25 H ILE 25 1.022 -8.220 0.462 150 HA ILE 25 HA ILE 25 0.118 -5.855 1.919 151 HB ILE 25 HB ILE 25 -0.019 -7.931 3.143 152 HG12 ILE 25 1HG1 ILE 25 1.614 -7.362 5.052 153 HG13 ILE 25 2HG1 ILE 25 2.127 -6.016 4.040 154 HG21 ILE 25 1HG2 ILE 25 2.206 -9.063 3.757 155 HG22 ILE 25 2HG2 ILE 25 1.530 -9.364 2.157 156 HG23 ILE 25 3HG2 ILE 25 2.857 -8.219 2.352 157 HD11 ILE 25 3HD1 ILE 25 0.331 -4.813 4.556 158 HD12 ILE 25 1HD1 ILE 25 -0.760 -6.181 4.337 159 HD13 ILE 25 2HD1 ILE 25 0.093 -5.969 5.866 160 H PHE 26 H PHE 26 2.988 -7.245 0.492 161 HA PHE 26 HA PHE 26 4.737 -5.249 1.657 162 HB2 PHE 26 1HB PHE 26 6.337 -6.422 -0.117 163 HB3 PHE 26 2HB PHE 26 5.956 -7.177 1.427 164 HD1 PHE 26 HD2 PHE 26 5.311 -7.222 -2.184 165 HD2 PHE 26 HD1 PHE 26 4.601 -9.145 1.546 166 HE1 PHE 26 HE2 PHE 26 4.439 -9.192 -3.370 167 HE2 PHE 26 HE1 PHE 26 3.728 -11.119 0.366 168 HZ PHE 26 HZ PHE 26 3.645 -11.145 -2.095 169 H HIS 27 H HIS 27 2.921 -5.734 -1.242 170 HA HIS 27 HA HIS 27 4.380 -3.979 -2.932 171 HB2 HIS 27 1HB HIS 27 1.591 -5.106 -3.012 172 HB3 HIS 27 2HB HIS 27 2.135 -3.933 -4.207 173 HD2 HIS 27 HD2 HIS 27 5.232 -5.625 -4.115 174 HE1 HIS 27 HE1 HIS 27 2.848 -8.403 -6.260 175 HE2 HIS 27 HE2 HIS 27 5.187 -7.750 -5.590 176 H LEU 28 H LEU 28 1.753 -3.541 -0.646 177 HA LEU 28 HA LEU 28 1.157 -0.857 -1.413 178 HB2 LEU 28 1HB LEU 28 -0.607 -1.882 -0.341 179 HB3 LEU 28 2HB LEU 28 0.431 -2.636 0.867 180 HG LEU 28 HG LEU 28 0.721 -0.415 1.934 181 HD11 LEU 28 1HD1 LEU 28 -0.434 1.480 1.260 182 HD12 LEU 28 2HD1 LEU 28 -1.559 0.563 0.259 183 HD13 LEU 28 3HD1 LEU 28 0.110 0.782 -0.266 184 HD21 LEU 28 3HD2 LEU 28 -2.189 -1.131 1.665 185 HD22 LEU 28 1HD2 LEU 28 -1.362 -0.431 3.057 186 HD23 LEU 28 2HD2 LEU 28 -1.040 -2.101 2.587 187 H THR 29 H THR 29 3.103 -2.334 1.150 188 HA THR 29 HA THR 29 3.813 0.058 2.461 189 HB THR 29 HB THR 29 5.421 -2.500 2.332 190 HG1 THR 29 HG1 THR 29 3.912 -3.313 3.561 191 HG21 THR 29 3HG2 THR 29 5.425 -0.899 4.783 192 HG22 THR 29 1HG2 THR 29 6.153 -0.087 3.398 193 HG23 THR 29 2HG2 THR 29 6.765 -1.655 3.922 194 H ARG 30 H ARG 30 5.493 -1.840 -0.033 195 HA ARG 30 HA ARG 30 7.724 -0.095 -0.217 196 HB2 ARG 30 1HB ARG 30 8.493 -1.485 -1.886 197 HB3 ARG 30 2HB ARG 30 7.401 -2.568 -1.034 198 HG2 ARG 30 1HG ARG 30 5.696 -2.249 -2.687 199 HG3 ARG 30 2HG ARG 30 6.649 -0.996 -3.487 200 HD2 ARG 30 1HD ARG 30 7.750 -3.758 -3.134 201 HD3 ARG 30 2HD ARG 30 6.641 -3.400 -4.456 202 HE ARG 30 HE ARG 30 8.614 -1.464 -4.539 203 HH11 ARG 30 1HH1 ARG 30 8.405 -4.927 -4.825 204 HH12 ARG 30 2HH1 ARG 30 9.768 -5.052 -5.887 205 HH21 ARG 30 1HH2 ARG 30 10.410 -1.616 -5.937 206 HH22 ARG 30 2HH2 ARG 30 10.908 -3.168 -6.518 207 H HIS 31 H HIS 31 4.531 0.225 -1.234 208 HA HIS 31 HA HIS 31 5.090 1.867 -3.553 209 HB2 HIS 31 1HB HIS 31 3.098 0.764 -3.899 210 HB3 HIS 31 2HB HIS 31 2.636 0.841 -2.201 211 HD1 HIS 31 HD1 HIS 31 2.445 2.743 -5.401 212 HD2 HIS 31 HD2 HIS 31 1.286 3.186 -1.436 213 HE1 HIS 31 HE1 HIS 31 0.850 4.687 -5.380 214 H GLN 32 H GLN 32 3.315 2.451 -0.510 215 HA GLN 32 HA GLN 32 2.932 5.096 -0.536 216 HB2 GLN 32 1HB GLN 32 4.072 3.564 1.807 217 HB3 GLN 32 2HB GLN 32 3.294 5.137 1.911 218 HG2 GLN 32 1HG GLN 32 1.192 4.261 1.370 219 HG3 GLN 32 2HG GLN 32 1.881 2.752 0.774 220 HE21 GLN 32 1HE2 GLN 32 -0.191 2.873 2.635 221 HE22 GLN 32 2HE2 GLN 32 0.380 2.242 4.138 222 H LYS 33 H LYS 33 6.039 3.534 -0.275 223 HA LYS 33 HA LYS 33 7.676 5.511 0.679 224 HB2 LYS 33 1HB LYS 33 8.138 3.500 -1.519 225 HB3 LYS 33 2HB LYS 33 9.412 4.564 -0.937 226 HG2 LYS 33 1HG LYS 33 8.710 3.600 1.401 227 HG3 LYS 33 2HG LYS 33 8.082 2.275 0.418 228 HD2 LYS 33 1HD LYS 33 10.385 2.256 -0.698 229 HD3 LYS 33 2HD LYS 33 10.912 3.258 0.657 230 HE2 LYS 33 1HE LYS 33 10.149 1.515 2.214 231 HE3 LYS 33 2HE LYS 33 9.670 0.513 0.845 232 HZ1 LYS 33 3HZ LYS 33 11.808 -0.186 1.615 233 HZ2 LYS 33 1HZ LYS 33 12.424 1.387 1.528 234 HZ3 LYS 33 2HZ LYS 33 12.012 0.561 0.111 235 H ILE 34 H ILE 34 6.618 5.096 -2.692 236 HA ILE 34 HA ILE 34 7.945 7.085 -3.970 237 HB ILE 34 HB ILE 34 6.101 7.303 -5.507 238 HG12 ILE 34 1HG1 ILE 34 4.307 5.610 -3.827 239 HG13 ILE 34 2HG1 ILE 34 4.440 7.321 -3.436 240 HG21 ILE 34 1HG2 ILE 34 5.742 4.967 -6.084 241 HG22 ILE 34 2HG2 ILE 34 7.409 5.233 -5.577 242 HG23 ILE 34 3HG2 ILE 34 6.262 4.475 -4.472 243 HD11 ILE 34 3HD1 ILE 34 2.635 7.280 -4.855 244 HD12 ILE 34 1HD1 ILE 34 3.954 7.663 -5.961 245 HD13 ILE 34 2HD1 ILE 34 3.327 6.017 -5.872 246 H HIS 35 H HIS 35 5.537 7.466 -1.516 247 HA HIS 35 HA HIS 35 5.018 10.245 -2.082 248 HB2 HIS 35 1HB HIS 35 4.347 8.660 0.405 249 HB3 HIS 35 2HB HIS 35 3.653 10.206 -0.075 250 HD1 HIS 35 HD1 HIS 35 2.972 9.593 -3.005 251 HD2 HIS 35 HD2 HIS 35 2.204 7.004 0.152 252 HE1 HIS 35 HE1 HIS 35 1.110 8.099 -3.797 253 H THR 36 H THR 36 6.949 11.346 -1.973 254 HA THR 36 HA THR 36 8.252 11.405 0.671 255 HB THR 36 HB THR 36 10.318 12.138 -0.499 256 HG1 THR 36 HG1 THR 36 8.677 11.694 -2.769 257 HG21 THR 36 3HG2 THR 36 10.919 9.993 -0.472 258 HG22 THR 36 1HG2 THR 36 9.992 9.676 -1.938 259 HG23 THR 36 2HG2 THR 36 9.215 9.551 -0.359 260 H ARG 37 H ARG 37 8.011 13.443 -2.253 261 HA ARG 37 HA ARG 37 7.863 15.800 -0.514 262 HB2 ARG 37 1HB ARG 37 9.556 15.571 -2.442 263 HB3 ARG 37 2HB ARG 37 8.183 15.850 -3.504 264 HG2 ARG 37 1HG ARG 37 7.952 18.035 -2.865 265 HG3 ARG 37 2HG ARG 37 8.681 17.762 -1.281 266 HD2 ARG 37 1HD ARG 37 10.870 17.434 -2.408 267 HD3 ARG 37 2HD ARG 37 10.103 17.862 -3.938 268 HE ARG 37 HE ARG 37 9.570 19.931 -2.179 269 HH11 ARG 37 1HH1 ARG 37 12.366 18.432 -3.613 270 HH12 ARG 37 2HH1 ARG 37 13.316 19.881 -3.591 271 HH21 ARG 37 1HH2 ARG 37 10.811 21.845 -2.145 272 HH22 ARG 37 2HH2 ARG 37 12.431 21.821 -2.755 273 H LYS 38 H LYS 38 5.783 16.092 0.068 274 HA LYS 38 HA LYS 38 3.515 15.453 -1.417 275 HB2 LYS 38 1HB LYS 38 2.299 16.952 0.106 276 HB3 LYS 38 2HB LYS 38 3.424 15.916 0.975 277 HG2 LYS 38 1HG LYS 38 5.007 18.031 0.621 278 HG3 LYS 38 2HG LYS 38 3.442 18.848 0.598 279 HD2 LYS 38 1HD LYS 38 2.958 17.483 2.738 280 HD3 LYS 38 2HD LYS 38 4.706 17.246 2.795 281 HE2 LYS 38 1HE LYS 38 3.154 19.814 2.956 282 HE3 LYS 38 2HE LYS 38 4.286 19.139 4.128 283 HZ1 LYS 38 3HZ LYS 38 5.592 20.701 3.138 284 HZ2 LYS 38 1HZ LYS 38 4.829 20.573 1.633 285 HZ3 LYS 38 2HZ LYS 38 5.931 19.389 2.125 286 H SER 39 H SER 39 5.670 18.136 -1.673 287 HA SER 39 HA SER 39 4.600 18.995 -4.131 288 HB2 SER 39 1HB SER 39 2.827 19.860 -2.545 289 HB3 SER 39 2HB SER 39 4.056 20.933 -1.875 290 HG SER 39 HG SER 39 2.563 21.316 -4.021 291 H GLY 40 H GLY 40 5.696 20.947 -4.963 292 HA2 GLY 40 1HA GLY 40 7.439 22.634 -4.536 293 HA3 GLY 40 2HA GLY 40 8.255 21.420 -3.561 294 HA PRO 41 HA PRO 41 9.362 21.293 -8.252 295 HB2 PRO 41 1HB PRO 41 11.391 23.092 -8.375 296 HB3 PRO 41 2HB PRO 41 9.707 23.519 -8.704 297 HG2 PRO 41 1HG PRO 41 11.307 23.913 -6.205 298 HG3 PRO 41 2HG PRO 41 10.182 25.029 -7.001 299 HD2 PRO 41 1HD PRO 41 9.486 23.557 -4.838 300 HD3 PRO 41 2HD PRO 41 8.326 23.995 -6.108 301 H SER 42 H SER 42 10.790 19.744 -8.755 302 HA SER 42 HA SER 42 12.309 18.368 -6.941 303 HB2 SER 42 1HB SER 42 12.758 18.682 -9.916 304 HB3 SER 42 2HB SER 42 13.590 17.490 -8.918 305 HG SER 42 HG SER 42 11.907 16.294 -9.272 306 H SER 43 H SER 43 14.486 18.306 -6.359 307 HA SER 43 HA SER 43 15.763 20.615 -5.719 308 HB2 SER 43 1HB SER 43 17.897 19.257 -5.691 309 HB3 SER 43 2HB SER 43 16.550 18.548 -4.801 310 HG SER 43 HG SER 43 16.221 17.531 -7.088 311 H GLY 44 H GLY 44 15.790 18.993 -8.814 312 HA2 GLY 44 1HA GLY 44 16.362 21.151 -10.380 313 HA3 GLY 44 2HA GLY 44 17.945 20.558 -9.900 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -33.808 -9.492 12.719 2 HA2 GLY 1 1HA GLY 1 -33.317 -10.432 10.041 3 HA3 GLY 1 2HA GLY 1 -32.123 -10.240 11.316 4 H SER 2 H SER 2 -32.409 -12.437 9.448 5 HA SER 2 HA SER 2 -33.224 -14.632 11.220 6 HB2 SER 2 1HB SER 2 -33.431 -16.004 9.283 7 HB3 SER 2 2HB SER 2 -34.159 -14.454 8.860 8 HG SER 2 HG SER 2 -32.489 -14.000 7.567 9 H SER 3 H SER 3 -31.469 -14.904 12.537 10 HA SER 3 HA SER 3 -29.394 -15.555 13.207 11 HB2 SER 3 1HB SER 3 -30.172 -17.479 11.619 12 HB3 SER 3 2HB SER 3 -28.946 -16.834 10.528 13 HG SER 3 HG SER 3 -27.940 -18.353 11.770 14 H GLY 4 H GLY 4 -29.512 -12.980 12.192 15 HA2 GLY 4 1HA GLY 4 -28.128 -11.276 11.521 16 HA3 GLY 4 2HA GLY 4 -26.799 -12.402 11.752 17 H SER 5 H SER 5 -27.871 -10.358 9.593 18 HA SER 5 HA SER 5 -27.523 -12.125 7.270 19 HB2 SER 5 1HB SER 5 -28.535 -10.331 5.946 20 HB3 SER 5 2HB SER 5 -29.584 -10.762 7.296 21 HG SER 5 HG SER 5 -27.716 -8.682 7.581 22 H SER 6 H SER 6 -25.253 -11.491 8.759 23 HA SER 6 HA SER 6 -23.637 -10.257 6.719 24 HB2 SER 6 1HB SER 6 -24.050 -8.919 9.391 25 HB3 SER 6 2HB SER 6 -22.608 -8.635 8.415 26 HG SER 6 HG SER 6 -24.437 -8.275 6.712 27 H GLY 7 H GLY 7 -21.513 -10.897 6.813 28 HA2 GLY 7 1HA GLY 7 -20.577 -12.300 9.206 29 HA3 GLY 7 2HA GLY 7 -20.648 -13.212 7.706 30 H THR 8 H THR 8 -18.266 -12.975 8.994 31 HA THR 8 HA THR 8 -16.598 -10.866 8.509 32 HB THR 8 HB THR 8 -15.717 -12.695 9.731 33 HG1 THR 8 HG1 THR 8 -13.820 -13.248 8.356 34 HG21 THR 8 3HG2 THR 8 -16.034 -14.402 7.260 35 HG22 THR 8 1HG2 THR 8 -17.090 -14.457 8.671 36 HG23 THR 8 2HG2 THR 8 -15.394 -14.921 8.818 37 H ASP 9 H ASP 9 -15.075 -10.364 6.854 38 HA ASP 9 HA ASP 9 -15.498 -11.576 4.235 39 HB2 ASP 9 1HB ASP 9 -15.904 -8.637 4.814 40 HB3 ASP 9 2HB ASP 9 -15.700 -9.294 3.193 41 H SER 10 H SER 10 -13.785 -11.254 2.775 42 HA SER 10 HA SER 10 -11.230 -11.178 3.880 43 HB2 SER 10 1HB SER 10 -10.404 -11.092 1.583 44 HB3 SER 10 2HB SER 10 -11.768 -12.204 1.692 45 HG SER 10 HG SER 10 -11.513 -9.905 0.256 46 H LYS 11 H LYS 11 -9.874 -9.596 4.427 47 HA LYS 11 HA LYS 11 -10.744 -6.862 4.272 48 HB2 LYS 11 1HB LYS 11 -8.943 -6.353 5.690 49 HB3 LYS 11 2HB LYS 11 -9.448 -7.962 6.189 50 HG2 LYS 11 1HG LYS 11 -7.228 -7.562 4.216 51 HG3 LYS 11 2HG LYS 11 -6.946 -7.504 5.958 52 HD2 LYS 11 1HD LYS 11 -6.570 -9.723 5.619 53 HD3 LYS 11 2HD LYS 11 -8.318 -9.782 5.856 54 HE2 LYS 11 1HE LYS 11 -8.294 -9.352 3.234 55 HE3 LYS 11 2HE LYS 11 -6.715 -10.122 3.380 56 HZ1 LYS 11 3HZ LYS 11 -9.318 -11.289 3.516 57 HZ2 LYS 11 1HZ LYS 11 -8.377 -11.702 4.860 58 HZ3 LYS 11 2HZ LYS 11 -7.815 -12.034 3.299 59 H SER 12 H SER 12 -8.636 -5.315 3.822 60 HA SER 12 HA SER 12 -7.138 -6.064 1.495 61 HB2 SER 12 1HB SER 12 -9.520 -5.488 0.675 62 HB3 SER 12 2HB SER 12 -9.097 -3.819 1.057 63 HG SER 12 HG SER 12 -8.460 -5.227 -1.106 64 H TYR 13 H TYR 13 -5.598 -4.464 0.871 65 HA TYR 13 HA TYR 13 -5.116 -2.478 2.987 66 HB2 TYR 13 1HB TYR 13 -3.059 -3.483 1.028 67 HB3 TYR 13 2HB TYR 13 -2.794 -2.676 2.569 68 HD1 TYR 13 HD2 TYR 13 -3.867 -3.994 4.644 69 HD2 TYR 13 HD1 TYR 13 -2.698 -5.757 0.952 70 HE1 TYR 13 HE2 TYR 13 -3.665 -6.177 5.757 71 HE2 TYR 13 HE1 TYR 13 -2.493 -7.945 2.055 72 HH TYR 13 HH TYR 13 -3.636 -9.006 4.265 73 H ASN 14 H ASN 14 -5.742 -0.505 2.421 74 HA ASN 14 HA ASN 14 -5.301 0.365 -0.360 75 HB2 ASN 14 1HB ASN 14 -7.380 1.330 1.617 76 HB3 ASN 14 2HB ASN 14 -7.152 1.963 -0.011 77 HD21 ASN 14 1HD2 ASN 14 -8.790 1.321 -1.204 78 HD22 ASN 14 2HD2 ASN 14 -9.433 -0.281 -1.270 79 H CYS 15 H CYS 15 -4.269 2.280 -0.743 80 HA CYS 15 HA CYS 15 -2.669 3.331 1.410 81 HB2 CYS 15 1HB CYS 15 -1.602 3.086 -0.726 82 HB3 CYS 15 2HB CYS 15 -2.861 4.023 -1.524 83 H ASN 16 H ASN 16 -3.252 4.932 2.706 84 HA ASN 16 HA ASN 16 -5.537 6.596 2.005 85 HB2 ASN 16 1HB ASN 16 -4.908 7.472 4.451 86 HB3 ASN 16 2HB ASN 16 -5.842 6.001 4.193 87 HD21 ASN 16 1HD2 ASN 16 -5.225 4.449 5.494 88 HD22 ASN 16 2HD2 ASN 16 -3.604 4.107 5.984 89 H GLU 17 H GLU 17 -3.002 6.957 0.613 90 HA GLU 17 HA GLU 17 -2.457 9.744 1.398 91 HB2 GLU 17 1HB GLU 17 -0.463 7.855 0.141 92 HB3 GLU 17 2HB GLU 17 -0.157 9.490 0.711 93 HG2 GLU 17 1HG GLU 17 -0.312 8.864 2.955 94 HG3 GLU 17 2HG GLU 17 -1.110 7.341 2.567 95 H CYS 18 H CYS 18 -3.057 7.447 -1.137 96 HA CYS 18 HA CYS 18 -3.314 9.677 -3.039 97 HB2 CYS 18 1HB CYS 18 -2.419 8.303 -4.826 98 HB3 CYS 18 2HB CYS 18 -1.250 8.384 -3.512 99 H GLY 19 H GLY 19 -4.377 6.514 -1.963 100 HA2 GLY 19 1HA GLY 19 -6.705 5.960 -1.927 101 HA3 GLY 19 2HA GLY 19 -6.938 6.996 -3.327 102 H LYS 20 H LYS 20 -4.913 4.179 -2.491 103 HA LYS 20 HA LYS 20 -5.889 2.877 -4.943 104 HB2 LYS 20 1HB LYS 20 -3.497 3.867 -5.041 105 HB3 LYS 20 2HB LYS 20 -3.061 2.530 -3.985 106 HG2 LYS 20 1HG LYS 20 -3.365 0.959 -5.614 107 HG3 LYS 20 2HG LYS 20 -4.564 1.925 -6.477 108 HD2 LYS 20 1HD LYS 20 -1.731 2.866 -6.320 109 HD3 LYS 20 2HD LYS 20 -2.173 1.608 -7.476 110 HE2 LYS 20 1HE LYS 20 -3.949 3.121 -8.344 111 HE3 LYS 20 2HE LYS 20 -3.339 4.382 -7.273 112 HZ1 LYS 20 3HZ LYS 20 -1.743 3.047 -9.392 113 HZ2 LYS 20 1HZ LYS 20 -1.241 4.335 -8.417 114 HZ3 LYS 20 2HZ LYS 20 -2.477 4.563 -9.548 115 H ALA 21 H ALA 21 -5.210 0.460 -4.897 116 HA ALA 21 HA ALA 21 -5.352 -0.625 -2.176 117 HB1 ALA 21 3HB ALA 21 -7.149 -2.111 -2.714 118 HB2 ALA 21 1HB ALA 21 -7.654 -0.470 -3.117 119 HB3 ALA 21 2HB ALA 21 -7.154 -1.578 -4.395 120 H PHE 22 H PHE 22 -3.871 -2.149 -1.890 121 HA PHE 22 HA PHE 22 -2.827 -3.551 -4.262 122 HB2 PHE 22 1HB PHE 22 -1.394 -3.028 -1.650 123 HB3 PHE 22 2HB PHE 22 -0.707 -3.768 -3.092 124 HD1 PHE 22 HD2 PHE 22 -0.136 -2.431 -5.027 125 HD2 PHE 22 HD1 PHE 22 -1.774 -0.650 -1.526 126 HE1 PHE 22 HE2 PHE 22 0.554 -0.213 -5.837 127 HE2 PHE 22 HE1 PHE 22 -1.088 1.572 -2.331 128 HZ PHE 22 HZ PHE 22 0.079 1.792 -4.488 129 H THR 23 H THR 23 -3.468 -5.587 -4.387 130 HA THR 23 HA THR 23 -4.781 -7.007 -2.378 131 HB THR 23 HB THR 23 -4.752 -8.879 -3.791 132 HG1 THR 23 HG1 THR 23 -2.578 -9.205 -4.126 133 HG21 THR 23 3HG2 THR 23 -5.889 -7.858 -5.411 134 HG22 THR 23 1HG2 THR 23 -4.389 -7.286 -6.140 135 HG23 THR 23 2HG2 THR 23 -5.192 -6.320 -4.902 136 H ARG 24 H ARG 24 -1.486 -6.318 -2.695 137 HA ARG 24 HA ARG 24 -0.782 -8.509 -0.855 138 HB2 ARG 24 1HB ARG 24 1.172 -6.980 -2.567 139 HB3 ARG 24 2HB ARG 24 1.433 -8.496 -1.715 140 HG2 ARG 24 1HG ARG 24 1.169 -9.285 -3.828 141 HG3 ARG 24 2HG ARG 24 -0.514 -9.316 -3.295 142 HD2 ARG 24 1HD ARG 24 -0.857 -7.109 -4.330 143 HD3 ARG 24 2HD ARG 24 0.812 -7.131 -4.898 144 HE ARG 24 HE ARG 24 -1.420 -8.501 -6.052 145 HH11 ARG 24 1HH1 ARG 24 2.034 -8.576 -5.619 146 HH12 ARG 24 2HH1 ARG 24 2.323 -9.522 -7.041 147 HH21 ARG 24 1HH2 ARG 24 -1.052 -9.748 -7.927 148 HH22 ARG 24 2HH2 ARG 24 0.566 -10.187 -8.354 149 H ILE 25 H ILE 25 0.690 -8.030 0.858 150 HA ILE 25 HA ILE 25 0.331 -5.334 1.893 151 HB ILE 25 HB ILE 25 -0.104 -7.289 3.353 152 HG12 ILE 25 1HG1 ILE 25 1.439 -6.471 5.260 153 HG13 ILE 25 2HG1 ILE 25 2.036 -5.304 4.086 154 HG21 ILE 25 1HG2 ILE 25 2.877 -7.711 3.319 155 HG22 ILE 25 2HG2 ILE 25 1.664 -8.674 4.160 156 HG23 ILE 25 3HG2 ILE 25 1.734 -8.688 2.399 157 HD11 ILE 25 3HD1 ILE 25 -0.855 -5.595 4.859 158 HD12 ILE 25 1HD1 ILE 25 0.261 -4.434 5.578 159 HD13 ILE 25 2HD1 ILE 25 -0.135 -4.331 3.862 160 H PHE 26 H PHE 26 2.809 -7.348 0.549 161 HA PHE 26 HA PHE 26 5.015 -5.787 1.518 162 HB2 PHE 26 1HB PHE 26 6.234 -7.128 -0.349 163 HB3 PHE 26 2HB PHE 26 5.627 -7.988 1.062 164 HD1 PHE 26 HD2 PHE 26 5.191 -7.391 -2.515 165 HD2 PHE 26 HD1 PHE 26 3.746 -9.491 0.893 166 HE1 PHE 26 HE2 PHE 26 3.900 -8.882 -3.986 167 HE2 PHE 26 HE1 PHE 26 2.453 -10.986 -0.573 168 HZ PHE 26 HZ PHE 26 2.528 -10.682 -3.015 169 H HIS 27 H HIS 27 3.270 -6.068 -1.554 170 HA HIS 27 HA HIS 27 4.839 -4.308 -3.057 171 HB2 HIS 27 1HB HIS 27 2.811 -5.885 -3.703 172 HB3 HIS 27 2HB HIS 27 1.886 -4.400 -3.501 173 HD2 HIS 27 HD2 HIS 27 4.367 -2.522 -4.915 174 HE1 HIS 27 HE1 HIS 27 3.278 -4.811 -8.317 175 HE2 HIS 27 HE2 HIS 27 4.534 -2.794 -7.482 176 H LEU 28 H LEU 28 1.901 -3.680 -1.153 177 HA LEU 28 HA LEU 28 1.600 -0.982 -1.688 178 HB2 LEU 28 1HB LEU 28 -0.162 -1.782 -0.498 179 HB3 LEU 28 2HB LEU 28 0.853 -2.780 0.541 180 HG LEU 28 HG LEU 28 1.551 -0.613 1.678 181 HD11 LEU 28 1HD1 LEU 28 0.217 1.314 1.421 182 HD12 LEU 28 2HD1 LEU 28 -0.960 0.461 0.423 183 HD13 LEU 28 3HD1 LEU 28 0.649 0.805 -0.211 184 HD21 LEU 28 3HD2 LEU 28 -0.655 -2.318 2.044 185 HD22 LEU 28 1HD2 LEU 28 -1.232 -0.678 2.343 186 HD23 LEU 28 2HD2 LEU 28 0.145 -1.307 3.248 187 H THR 29 H THR 29 3.526 -2.520 0.870 188 HA THR 29 HA THR 29 4.435 -0.267 2.186 189 HB THR 29 HB THR 29 5.947 -2.833 1.658 190 HG1 THR 29 HG1 THR 29 5.195 -3.154 3.927 191 HG21 THR 29 3HG2 THR 29 7.041 -0.521 2.600 192 HG22 THR 29 1HG2 THR 29 7.618 -2.138 2.999 193 HG23 THR 29 2HG2 THR 29 6.521 -1.298 4.095 194 H ARG 30 H ARG 30 5.788 -1.836 -0.694 195 HA ARG 30 HA ARG 30 8.005 -0.078 -0.936 196 HB2 ARG 30 1HB ARG 30 6.702 -1.683 -3.138 197 HB3 ARG 30 2HB ARG 30 8.354 -1.081 -3.097 198 HG2 ARG 30 1HG ARG 30 8.818 -2.563 -1.186 199 HG3 ARG 30 2HG ARG 30 7.177 -3.200 -1.311 200 HD2 ARG 30 1HD ARG 30 7.606 -4.246 -3.344 201 HD3 ARG 30 2HD ARG 30 9.010 -3.234 -3.677 202 HE ARG 30 HE ARG 30 9.484 -4.778 -1.370 203 HH11 ARG 30 1HH1 ARG 30 9.187 -5.095 -4.824 204 HH12 ARG 30 2HH1 ARG 30 10.229 -6.476 -4.918 205 HH21 ARG 30 1HH2 ARG 30 10.857 -6.596 -1.480 206 HH22 ARG 30 2HH2 ARG 30 11.178 -7.330 -3.015 207 H HIS 31 H HIS 31 4.687 0.061 -1.962 208 HA HIS 31 HA HIS 31 5.007 2.084 -3.938 209 HB2 HIS 31 1HB HIS 31 3.015 0.928 -4.191 210 HB3 HIS 31 2HB HIS 31 2.688 0.905 -2.461 211 HD1 HIS 31 HD1 HIS 31 2.742 3.405 -5.322 212 HD2 HIS 31 HD2 HIS 31 0.890 2.771 -1.657 213 HE1 HIS 31 HE1 HIS 31 1.021 5.227 -5.114 214 H GLN 32 H GLN 32 3.700 2.218 -0.620 215 HA GLN 32 HA GLN 32 3.233 4.869 -0.327 216 HB2 GLN 32 1HB GLN 32 4.479 2.956 1.645 217 HB3 GLN 32 2HB GLN 32 3.979 4.584 2.083 218 HG2 GLN 32 1HG GLN 32 1.686 3.910 1.144 219 HG3 GLN 32 2HG GLN 32 2.290 2.257 1.258 220 HE21 GLN 32 1HE2 GLN 32 2.520 1.307 3.239 221 HE22 GLN 32 2HE2 GLN 32 1.951 2.020 4.706 222 H LYS 33 H LYS 33 6.307 3.372 -0.768 223 HA LYS 33 HA LYS 33 8.087 5.143 0.346 224 HB2 LYS 33 1HB LYS 33 8.341 3.819 -2.360 225 HB3 LYS 33 2HB LYS 33 9.666 4.472 -1.406 226 HG2 LYS 33 1HG LYS 33 7.885 2.305 -0.349 227 HG3 LYS 33 2HG LYS 33 9.292 1.952 -1.354 228 HD2 LYS 33 1HD LYS 33 10.561 3.451 0.345 229 HD3 LYS 33 2HD LYS 33 9.173 3.142 1.391 230 HE2 LYS 33 1HE LYS 33 9.606 0.651 0.759 231 HE3 LYS 33 2HE LYS 33 11.213 1.233 0.326 232 HZ1 LYS 33 3HZ LYS 33 9.963 1.011 2.955 233 HZ2 LYS 33 1HZ LYS 33 10.998 2.325 2.705 234 HZ3 LYS 33 2HZ LYS 33 11.569 0.747 2.495 235 H ILE 34 H ILE 34 6.501 5.397 -2.822 236 HA ILE 34 HA ILE 34 7.734 7.762 -3.665 237 HB ILE 34 HB ILE 34 5.932 8.010 -5.247 238 HG12 ILE 34 1HG1 ILE 34 4.399 5.728 -4.084 239 HG13 ILE 34 2HG1 ILE 34 4.224 7.313 -3.338 240 HG21 ILE 34 1HG2 ILE 34 7.074 6.387 -6.270 241 HG22 ILE 34 2HG2 ILE 34 7.256 5.461 -4.781 242 HG23 ILE 34 3HG2 ILE 34 5.784 5.309 -5.739 243 HD11 ILE 34 3HD1 ILE 34 2.857 7.984 -4.940 244 HD12 ILE 34 1HD1 ILE 34 3.995 7.501 -6.198 245 HD13 ILE 34 2HD1 ILE 34 2.854 6.327 -5.543 246 H HIS 35 H HIS 35 5.363 7.224 -1.252 247 HA HIS 35 HA HIS 35 4.463 10.000 -1.265 248 HB2 HIS 35 1HB HIS 35 3.649 7.677 0.494 249 HB3 HIS 35 2HB HIS 35 2.915 9.278 0.517 250 HD1 HIS 35 HD1 HIS 35 2.787 9.598 -2.628 251 HD2 HIS 35 HD2 HIS 35 1.437 6.329 -0.449 252 HE1 HIS 35 HE1 HIS 35 1.057 8.491 -4.079 253 H THR 36 H THR 36 6.105 7.710 0.894 254 HA THR 36 HA THR 36 6.732 9.829 2.779 255 HB THR 36 HB THR 36 7.857 8.032 4.078 256 HG1 THR 36 HG1 THR 36 6.755 6.153 2.283 257 HG21 THR 36 3HG2 THR 36 5.892 7.149 4.922 258 HG22 THR 36 1HG2 THR 36 5.156 6.989 3.328 259 HG23 THR 36 2HG2 THR 36 5.303 8.580 4.077 260 H ARG 37 H ARG 37 8.264 11.188 2.037 261 HA ARG 37 HA ARG 37 10.880 10.027 1.404 262 HB2 ARG 37 1HB ARG 37 11.194 11.676 -0.413 263 HB3 ARG 37 2HB ARG 37 9.895 10.539 -0.749 264 HG2 ARG 37 1HG ARG 37 8.412 12.436 0.313 265 HG3 ARG 37 2HG ARG 37 9.771 13.450 -0.175 266 HD2 ARG 37 1HD ARG 37 8.675 11.511 -2.146 267 HD3 ARG 37 2HD ARG 37 7.740 12.965 -1.799 268 HE ARG 37 HE ARG 37 10.169 12.798 -3.299 269 HH11 ARG 37 1HH1 ARG 37 8.248 14.859 -1.255 270 HH12 ARG 37 2HH1 ARG 37 8.892 16.328 -1.910 271 HH21 ARG 37 1HH2 ARG 37 11.025 14.725 -4.169 272 HH22 ARG 37 2HH2 ARG 37 10.471 16.251 -3.568 273 H LYS 38 H LYS 38 12.617 11.753 1.433 274 HA LYS 38 HA LYS 38 12.510 13.121 3.913 275 HB2 LYS 38 1HB LYS 38 14.484 13.123 1.638 276 HB3 LYS 38 2HB LYS 38 14.707 14.135 3.060 277 HG2 LYS 38 1HG LYS 38 15.924 12.317 3.679 278 HG3 LYS 38 2HG LYS 38 14.347 11.852 4.323 279 HD2 LYS 38 1HD LYS 38 13.927 10.404 2.495 280 HD3 LYS 38 2HD LYS 38 15.283 11.058 1.574 281 HE2 LYS 38 1HE LYS 38 16.820 10.161 3.303 282 HE3 LYS 38 2HE LYS 38 15.435 9.419 4.102 283 HZ1 LYS 38 3HZ LYS 38 16.752 7.950 2.562 284 HZ2 LYS 38 1HZ LYS 38 16.128 8.858 1.278 285 HZ3 LYS 38 2HZ LYS 38 15.084 7.991 2.286 286 H SER 39 H SER 39 10.752 14.550 3.804 287 HA SER 39 HA SER 39 11.401 17.127 2.697 288 HB2 SER 39 1HB SER 39 10.200 15.680 0.870 289 HB3 SER 39 2HB SER 39 8.750 16.036 1.810 290 HG SER 39 HG SER 39 8.972 17.636 0.287 291 H GLY 40 H GLY 40 9.616 18.741 3.213 292 HA2 GLY 40 1HA GLY 40 8.321 17.968 5.755 293 HA3 GLY 40 2HA GLY 40 9.073 19.537 5.507 294 HA PRO 41 HA PRO 41 4.478 19.300 4.107 295 HB2 PRO 41 1HB PRO 41 3.216 20.054 6.390 296 HB3 PRO 41 2HB PRO 41 3.510 18.363 5.969 297 HG2 PRO 41 1HG PRO 41 5.040 20.147 7.823 298 HG3 PRO 41 2HG PRO 41 4.561 18.453 8.041 299 HD2 PRO 41 1HD PRO 41 7.059 19.175 7.288 300 HD3 PRO 41 2HD PRO 41 6.299 17.664 6.749 301 H SER 42 H SER 42 6.738 21.397 5.376 302 HA SER 42 HA SER 42 5.603 23.788 5.910 303 HB2 SER 42 1HB SER 42 8.103 23.165 5.582 304 HB3 SER 42 2HB SER 42 7.855 23.691 3.918 305 HG SER 42 HG SER 42 8.253 25.593 4.725 306 H SER 43 H SER 43 4.394 25.282 4.914 307 HA SER 43 HA SER 43 2.819 24.859 2.771 308 HB2 SER 43 1HB SER 43 2.494 26.816 4.132 309 HB3 SER 43 2HB SER 43 4.049 27.483 3.636 310 HG SER 43 HG SER 43 2.181 28.362 2.524 311 H GLY 44 H GLY 44 5.805 26.802 2.496 312 HA2 GLY 44 1HA GLY 44 7.398 26.795 0.809 313 HA3 GLY 44 2HA GLY 44 6.515 25.494 0.024 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -33.033 -3.820 7.316 2 HA2 GLY 1 1HA GLY 1 -31.480 -3.556 9.598 3 HA3 GLY 1 2HA GLY 1 -31.922 -5.254 9.504 4 H SER 2 H SER 2 -29.290 -4.537 9.404 5 HA SER 2 HA SER 2 -28.596 -4.907 6.564 6 HB2 SER 2 1HB SER 2 -27.801 -2.777 7.745 7 HB3 SER 2 2HB SER 2 -26.721 -3.824 8.665 8 HG SER 2 HG SER 2 -25.470 -3.437 6.995 9 H SER 3 H SER 3 -26.742 -6.262 6.113 10 HA SER 3 HA SER 3 -25.778 -8.019 8.196 11 HB2 SER 3 1HB SER 3 -26.621 -10.065 7.325 12 HB3 SER 3 2HB SER 3 -28.006 -8.975 7.407 13 HG SER 3 HG SER 3 -27.053 -8.547 5.062 14 H GLY 4 H GLY 4 -24.360 -9.812 7.097 15 HA2 GLY 4 1HA GLY 4 -23.260 -9.470 4.561 16 HA3 GLY 4 2HA GLY 4 -22.329 -8.462 5.659 17 H SER 5 H SER 5 -23.706 -11.754 5.709 18 HA SER 5 HA SER 5 -21.712 -12.823 7.379 19 HB2 SER 5 1HB SER 5 -23.850 -13.943 5.636 20 HB3 SER 5 2HB SER 5 -22.564 -15.036 6.145 21 HG SER 5 HG SER 5 -24.462 -14.855 7.569 22 H SER 6 H SER 6 -22.162 -13.220 3.863 23 HA SER 6 HA SER 6 -19.374 -14.094 3.651 24 HB2 SER 6 1HB SER 6 -21.187 -15.480 2.613 25 HB3 SER 6 2HB SER 6 -21.520 -14.139 1.517 26 HG SER 6 HG SER 6 -19.035 -14.416 1.202 27 H GLY 7 H GLY 7 -17.878 -12.662 3.104 28 HA2 GLY 7 1HA GLY 7 -17.488 -11.137 1.013 29 HA3 GLY 7 2HA GLY 7 -18.706 -10.160 1.820 30 H THR 8 H THR 8 -17.930 -10.482 4.471 31 HA THR 8 HA THR 8 -15.617 -8.737 4.522 32 HB THR 8 HB THR 8 -16.083 -8.608 6.979 33 HG1 THR 8 HG1 THR 8 -17.349 -10.796 6.658 34 HG21 THR 8 3HG2 THR 8 -17.689 -7.015 6.685 35 HG22 THR 8 1HG2 THR 8 -18.689 -8.053 5.670 36 HG23 THR 8 2HG2 THR 8 -17.260 -7.271 4.994 37 H ASP 9 H ASP 9 -15.065 -11.401 3.704 38 HA ASP 9 HA ASP 9 -13.685 -12.578 6.006 39 HB2 ASP 9 1HB ASP 9 -13.770 -13.836 3.284 40 HB3 ASP 9 2HB ASP 9 -13.656 -14.609 4.863 41 H SER 10 H SER 10 -13.077 -11.473 2.692 42 HA SER 10 HA SER 10 -10.224 -11.828 2.970 43 HB2 SER 10 1HB SER 10 -11.564 -12.099 0.803 44 HB3 SER 10 2HB SER 10 -11.620 -10.337 0.749 45 HG SER 10 HG SER 10 -9.198 -10.597 1.047 46 H LYS 11 H LYS 11 -8.672 -10.165 2.940 47 HA LYS 11 HA LYS 11 -9.683 -7.570 3.900 48 HB2 LYS 11 1HB LYS 11 -7.709 -7.331 5.214 49 HB3 LYS 11 2HB LYS 11 -8.328 -8.950 5.514 50 HG2 LYS 11 1HG LYS 11 -6.297 -8.619 3.377 51 HG3 LYS 11 2HG LYS 11 -5.768 -8.488 5.056 52 HD2 LYS 11 1HD LYS 11 -7.519 -10.775 4.318 53 HD3 LYS 11 2HD LYS 11 -5.837 -10.814 3.783 54 HE2 LYS 11 1HE LYS 11 -5.704 -11.863 5.833 55 HE3 LYS 11 2HE LYS 11 -5.321 -10.195 6.258 56 HZ1 LYS 11 3HZ LYS 11 -8.132 -10.766 6.352 57 HZ2 LYS 11 1HZ LYS 11 -7.139 -10.035 7.510 58 HZ3 LYS 11 2HZ LYS 11 -7.236 -11.721 7.423 59 H SER 12 H SER 12 -8.545 -5.663 3.256 60 HA SER 12 HA SER 12 -6.808 -5.954 0.910 61 HB2 SER 12 1HB SER 12 -8.046 -4.146 -0.248 62 HB3 SER 12 2HB SER 12 -9.049 -5.571 0.023 63 HG SER 12 HG SER 12 -9.495 -3.075 0.810 64 H TYR 13 H TYR 13 -5.264 -4.373 0.673 65 HA TYR 13 HA TYR 13 -5.113 -2.395 2.852 66 HB2 TYR 13 1HB TYR 13 -2.766 -3.582 1.367 67 HB3 TYR 13 2HB TYR 13 -2.723 -2.590 2.821 68 HD1 TYR 13 HD2 TYR 13 -3.469 -3.539 4.986 69 HD2 TYR 13 HD1 TYR 13 -3.163 -5.934 1.483 70 HE1 TYR 13 HE2 TYR 13 -3.518 -5.568 6.376 71 HE2 TYR 13 HE1 TYR 13 -3.212 -7.970 2.863 72 HH TYR 13 HH TYR 13 -4.125 -7.972 6.101 73 H ASN 14 H ASN 14 -5.790 -0.525 1.989 74 HA ASN 14 HA ASN 14 -4.795 0.242 -0.667 75 HB2 ASN 14 1HB ASN 14 -6.613 2.138 -0.181 76 HB3 ASN 14 2HB ASN 14 -7.052 0.569 -0.848 77 HD21 ASN 14 1HD2 ASN 14 -8.408 -0.703 0.253 78 HD22 ASN 14 2HD2 ASN 14 -9.026 -0.357 1.829 79 H CYS 15 H CYS 15 -4.113 2.464 -0.994 80 HA CYS 15 HA CYS 15 -2.429 3.363 1.176 81 HB2 CYS 15 1HB CYS 15 -1.570 3.333 -1.124 82 HB3 CYS 15 2HB CYS 15 -2.814 4.481 -1.609 83 H ASN 16 H ASN 16 -2.819 5.000 2.528 84 HA ASN 16 HA ASN 16 -5.310 6.493 2.194 85 HB2 ASN 16 1HB ASN 16 -3.462 6.125 4.557 86 HB3 ASN 16 2HB ASN 16 -4.855 7.203 4.575 87 HD21 ASN 16 1HD2 ASN 16 -5.424 5.770 6.396 88 HD22 ASN 16 2HD2 ASN 16 -6.310 4.328 6.047 89 H GLU 17 H GLU 17 -2.967 7.100 0.576 90 HA GLU 17 HA GLU 17 -2.515 9.871 1.471 91 HB2 GLU 17 1HB GLU 17 -0.529 8.287 -0.149 92 HB3 GLU 17 2HB GLU 17 -0.280 9.823 0.669 93 HG2 GLU 17 1HG GLU 17 -1.009 7.432 2.283 94 HG3 GLU 17 2HG GLU 17 0.638 7.592 1.677 95 H CYS 18 H CYS 18 -2.931 7.658 -1.231 96 HA CYS 18 HA CYS 18 -3.575 9.970 -2.943 97 HB2 CYS 18 1HB CYS 18 -2.894 8.560 -4.873 98 HB3 CYS 18 2HB CYS 18 -1.568 8.889 -3.762 99 H GLY 19 H GLY 19 -4.353 6.611 -2.146 100 HA2 GLY 19 1HA GLY 19 -6.767 6.162 -1.837 101 HA3 GLY 19 2HA GLY 19 -7.026 7.058 -3.326 102 H LYS 20 H LYS 20 -4.399 4.785 -2.851 103 HA LYS 20 HA LYS 20 -5.343 3.243 -5.120 104 HB2 LYS 20 1HB LYS 20 -2.815 3.194 -3.480 105 HB3 LYS 20 2HB LYS 20 -3.160 1.976 -4.700 106 HG2 LYS 20 1HG LYS 20 -3.344 4.831 -5.491 107 HG3 LYS 20 2HG LYS 20 -1.742 4.132 -5.243 108 HD2 LYS 20 1HD LYS 20 -2.037 3.650 -7.459 109 HD3 LYS 20 2HD LYS 20 -2.742 2.199 -6.743 110 HE2 LYS 20 1HE LYS 20 -4.878 2.808 -7.280 111 HE3 LYS 20 2HE LYS 20 -4.523 4.532 -7.199 112 HZ1 LYS 20 3HZ LYS 20 -4.611 4.369 -9.421 113 HZ2 LYS 20 1HZ LYS 20 -4.312 2.704 -9.436 114 HZ3 LYS 20 2HZ LYS 20 -3.027 3.792 -9.280 115 H ALA 21 H ALA 21 -5.104 0.794 -4.958 116 HA ALA 21 HA ALA 21 -5.836 -0.258 -2.331 117 HB1 ALA 21 3HB ALA 21 -7.516 -1.371 -4.438 118 HB2 ALA 21 1HB ALA 21 -7.944 -0.811 -2.821 119 HB3 ALA 21 2HB ALA 21 -7.803 0.345 -4.146 120 H PHE 22 H PHE 22 -4.431 -1.840 -1.980 121 HA PHE 22 HA PHE 22 -3.676 -3.577 -4.237 122 HB2 PHE 22 1HB PHE 22 -2.032 -3.088 -1.751 123 HB3 PHE 22 2HB PHE 22 -1.527 -3.903 -3.228 124 HD1 PHE 22 HD2 PHE 22 -1.100 -2.610 -5.273 125 HD2 PHE 22 HD1 PHE 22 -2.019 -0.715 -1.574 126 HE1 PHE 22 HE2 PHE 22 -0.247 -0.479 -6.157 127 HE2 PHE 22 HE1 PHE 22 -1.168 1.420 -2.453 128 HZ PHE 22 HZ PHE 22 -0.279 1.540 -4.747 129 H THR 23 H THR 23 -3.545 -5.803 -3.892 130 HA THR 23 HA THR 23 -5.304 -6.787 -1.813 131 HB THR 23 HB THR 23 -4.978 -9.001 -2.919 132 HG1 THR 23 HG1 THR 23 -3.099 -9.012 -3.964 133 HG21 THR 23 3HG2 THR 23 -6.768 -7.383 -3.587 134 HG22 THR 23 1HG2 THR 23 -6.279 -8.491 -4.868 135 HG23 THR 23 2HG2 THR 23 -5.705 -6.824 -4.878 136 H ARG 24 H ARG 24 -1.899 -6.694 -2.510 137 HA ARG 24 HA ARG 24 -1.310 -8.586 -0.359 138 HB2 ARG 24 1HB ARG 24 0.310 -7.363 -2.570 139 HB3 ARG 24 2HB ARG 24 1.109 -8.076 -1.175 140 HG2 ARG 24 1HG ARG 24 0.533 -10.199 -1.750 141 HG3 ARG 24 2HG ARG 24 -0.956 -9.695 -2.553 142 HD2 ARG 24 1HD ARG 24 0.717 -8.563 -4.233 143 HD3 ARG 24 2HD ARG 24 1.838 -9.763 -3.589 144 HE ARG 24 HE ARG 24 -0.687 -10.857 -4.428 145 HH11 ARG 24 1HH1 ARG 24 2.522 -9.949 -5.426 146 HH12 ARG 24 2HH1 ARG 24 2.545 -11.025 -6.784 147 HH21 ARG 24 1HH2 ARG 24 -0.670 -12.277 -6.212 148 HH22 ARG 24 2HH2 ARG 24 0.728 -12.348 -7.231 149 H ILE 25 H ILE 25 0.660 -7.932 1.020 150 HA ILE 25 HA ILE 25 0.152 -5.221 2.038 151 HB ILE 25 HB ILE 25 -0.239 -7.099 3.614 152 HG12 ILE 25 1HG1 ILE 25 1.304 -6.162 5.442 153 HG13 ILE 25 2HG1 ILE 25 1.929 -5.088 4.195 154 HG21 ILE 25 1HG2 ILE 25 1.544 -8.439 4.441 155 HG22 ILE 25 2HG2 ILE 25 1.601 -8.526 2.681 156 HG23 ILE 25 3HG2 ILE 25 2.743 -7.502 3.550 157 HD11 ILE 25 3HD1 ILE 25 -0.692 -5.092 5.563 158 HD12 ILE 25 1HD1 ILE 25 0.332 -3.745 5.067 159 HD13 ILE 25 2HD1 ILE 25 -0.654 -4.591 3.873 160 H PHE 26 H PHE 26 2.659 -7.417 0.955 161 HA PHE 26 HA PHE 26 4.848 -5.732 1.677 162 HB2 PHE 26 1HB PHE 26 6.232 -7.299 0.551 163 HB3 PHE 26 2HB PHE 26 4.940 -8.242 1.286 164 HD1 PHE 26 HD2 PHE 26 6.072 -6.739 -1.902 165 HD2 PHE 26 HD1 PHE 26 3.557 -9.607 -0.014 166 HE1 PHE 26 HE2 PHE 26 5.544 -7.716 -4.098 167 HE2 PHE 26 HE1 PHE 26 3.026 -10.590 -2.207 168 HZ PHE 26 HZ PHE 26 4.019 -9.643 -4.252 169 H HIS 27 H HIS 27 2.605 -5.766 -0.900 170 HA HIS 27 HA HIS 27 4.290 -4.390 -2.794 171 HB2 HIS 27 1HB HIS 27 1.493 -5.390 -2.742 172 HB3 HIS 27 2HB HIS 27 1.839 -4.045 -3.826 173 HD2 HIS 27 HD2 HIS 27 4.939 -5.424 -4.519 174 HE1 HIS 27 HE1 HIS 27 2.447 -8.288 -6.412 175 HE2 HIS 27 HE2 HIS 27 4.798 -7.419 -6.159 176 H LEU 28 H LEU 28 1.531 -3.542 -0.724 177 HA LEU 28 HA LEU 28 1.323 -0.854 -1.476 178 HB2 LEU 28 1HB LEU 28 -0.471 -1.724 -0.267 179 HB3 LEU 28 2HB LEU 28 0.575 -2.375 0.993 180 HG LEU 28 HG LEU 28 1.000 -0.083 1.792 181 HD11 LEU 28 1HD1 LEU 28 -1.249 1.023 0.242 182 HD12 LEU 28 2HD1 LEU 28 0.249 0.756 -0.650 183 HD13 LEU 28 3HD1 LEU 28 0.248 1.785 0.782 184 HD21 LEU 28 3HD2 LEU 28 -1.500 0.350 2.430 185 HD22 LEU 28 1HD2 LEU 28 -0.656 -1.073 3.041 186 HD23 LEU 28 2HD2 LEU 28 -1.755 -1.222 1.669 187 H THR 29 H THR 29 3.313 -2.433 0.971 188 HA THR 29 HA THR 29 4.278 -0.184 2.300 189 HB THR 29 HB THR 29 5.603 -2.844 1.765 190 HG1 THR 29 HG1 THR 29 5.104 -2.796 4.208 191 HG21 THR 29 3HG2 THR 29 7.253 -2.290 3.427 192 HG22 THR 29 1HG2 THR 29 6.491 -0.729 3.728 193 HG23 THR 29 2HG2 THR 29 7.278 -1.043 2.181 194 H ARG 30 H ARG 30 5.522 -1.806 -0.601 195 HA ARG 30 HA ARG 30 7.796 -0.166 -0.923 196 HB2 ARG 30 1HB ARG 30 6.237 -1.711 -3.003 197 HB3 ARG 30 2HB ARG 30 7.847 -1.041 -3.229 198 HG2 ARG 30 1HG ARG 30 8.363 -2.501 -1.087 199 HG3 ARG 30 2HG ARG 30 6.976 -3.415 -1.681 200 HD2 ARG 30 1HD ARG 30 8.836 -4.437 -2.677 201 HD3 ARG 30 2HD ARG 30 8.156 -3.412 -3.940 202 HE ARG 30 HE ARG 30 10.215 -2.119 -2.418 203 HH11 ARG 30 1HH1 ARG 30 9.562 -4.248 -5.095 204 HH12 ARG 30 2HH1 ARG 30 11.048 -3.889 -5.911 205 HH21 ARG 30 1HH2 ARG 30 12.174 -1.640 -3.483 206 HH22 ARG 30 2HH2 ARG 30 12.533 -2.407 -4.993 207 H HIS 31 H HIS 31 4.450 0.248 -1.755 208 HA HIS 31 HA HIS 31 4.826 2.329 -3.669 209 HB2 HIS 31 1HB HIS 31 2.766 1.200 -3.824 210 HB3 HIS 31 2HB HIS 31 2.459 1.338 -2.095 211 HD1 HIS 31 HD1 HIS 31 2.600 3.529 -5.187 212 HD2 HIS 31 HD2 HIS 31 0.923 3.473 -1.387 213 HE1 HIS 31 HE1 HIS 31 1.062 5.517 -5.102 214 H GLN 32 H GLN 32 3.609 2.401 -0.313 215 HA GLN 32 HA GLN 32 3.296 5.021 0.159 216 HB2 GLN 32 1HB GLN 32 4.537 2.902 1.885 217 HB3 GLN 32 2HB GLN 32 4.378 4.551 2.475 218 HG2 GLN 32 1HG GLN 32 1.915 4.358 1.884 219 HG3 GLN 32 2HG GLN 32 2.208 2.628 1.710 220 HE21 GLN 32 1HE2 GLN 32 0.475 2.830 3.461 221 HE22 GLN 32 2HE2 GLN 32 1.049 2.854 5.090 222 H LYS 33 H LYS 33 6.385 3.394 -0.218 223 HA LYS 33 HA LYS 33 8.089 5.424 0.656 224 HB2 LYS 33 1HB LYS 33 8.512 3.367 -1.519 225 HB3 LYS 33 2HB LYS 33 9.787 4.358 -0.823 226 HG2 LYS 33 1HG LYS 33 9.729 3.247 1.201 227 HG3 LYS 33 2HG LYS 33 8.086 2.655 0.945 228 HD2 LYS 33 1HD LYS 33 9.303 0.740 0.573 229 HD3 LYS 33 2HD LYS 33 9.188 1.384 -1.067 230 HE2 LYS 33 1HE LYS 33 11.500 2.070 0.716 231 HE3 LYS 33 2HE LYS 33 11.481 0.573 -0.215 232 HZ1 LYS 33 3HZ LYS 33 11.956 1.665 -2.077 233 HZ2 LYS 33 1HZ LYS 33 12.329 3.000 -1.107 234 HZ3 LYS 33 2HZ LYS 33 10.790 2.857 -1.794 235 H ILE 34 H ILE 34 6.753 4.808 -2.575 236 HA ILE 34 HA ILE 34 8.057 6.794 -3.994 237 HB ILE 34 HB ILE 34 6.423 6.594 -5.655 238 HG12 ILE 34 1HG1 ILE 34 4.159 5.398 -4.855 239 HG13 ILE 34 2HG1 ILE 34 4.581 6.212 -3.353 240 HG21 ILE 34 1HG2 ILE 34 5.654 3.982 -4.797 241 HG22 ILE 34 2HG2 ILE 34 6.855 4.447 -6.001 242 HG23 ILE 34 3HG2 ILE 34 7.320 4.286 -4.307 243 HD11 ILE 34 3HD1 ILE 34 3.064 7.361 -5.154 244 HD12 ILE 34 1HD1 ILE 34 4.242 8.289 -4.226 245 HD13 ILE 34 2HD1 ILE 34 4.618 7.782 -5.873 246 H HIS 35 H HIS 35 5.550 7.075 -1.630 247 HA HIS 35 HA HIS 35 4.831 9.777 -2.386 248 HB2 HIS 35 1HB HIS 35 3.976 7.903 -0.197 249 HB3 HIS 35 2HB HIS 35 3.542 9.609 -0.140 250 HD1 HIS 35 HD1 HIS 35 2.889 10.015 -3.145 251 HD2 HIS 35 HD2 HIS 35 1.551 6.826 -0.842 252 HE1 HIS 35 HE1 HIS 35 0.819 9.174 -4.300 253 H THR 36 H THR 36 6.697 10.990 -2.167 254 HA THR 36 HA THR 36 7.623 11.367 0.604 255 HB THR 36 HB THR 36 9.862 12.001 -0.401 256 HG1 THR 36 HG1 THR 36 9.010 12.143 -2.595 257 HG21 THR 36 3HG2 THR 36 10.327 9.454 -0.985 258 HG22 THR 36 1HG2 THR 36 8.722 9.257 -0.285 259 HG23 THR 36 2HG2 THR 36 10.016 9.984 0.667 260 H ARG 37 H ARG 37 5.564 12.798 -0.891 261 HA ARG 37 HA ARG 37 6.783 15.385 -1.460 262 HB2 ARG 37 1HB ARG 37 4.070 14.190 -1.897 263 HB3 ARG 37 2HB ARG 37 4.265 15.938 -1.913 264 HG2 ARG 37 1HG ARG 37 5.939 14.134 -3.628 265 HG3 ARG 37 2HG ARG 37 4.362 14.734 -4.145 266 HD2 ARG 37 1HD ARG 37 6.524 16.580 -3.178 267 HD3 ARG 37 2HD ARG 37 6.435 16.055 -4.859 268 HE ARG 37 HE ARG 37 3.929 17.006 -4.247 269 HH11 ARG 37 1HH1 ARG 37 7.171 18.274 -4.255 270 HH12 ARG 37 2HH1 ARG 37 6.676 19.897 -4.601 271 HH21 ARG 37 1HH2 ARG 37 3.263 19.140 -4.703 272 HH22 ARG 37 2HH2 ARG 37 4.452 20.389 -4.855 273 H LYS 38 H LYS 38 7.414 16.091 0.578 274 HA LYS 38 HA LYS 38 5.889 16.039 2.908 275 HB2 LYS 38 1HB LYS 38 7.335 17.958 3.637 276 HB3 LYS 38 2HB LYS 38 8.218 16.556 3.046 277 HG2 LYS 38 1HG LYS 38 9.302 18.416 2.123 278 HG3 LYS 38 2HG LYS 38 8.329 17.746 0.811 279 HD2 LYS 38 1HD LYS 38 6.726 19.458 0.985 280 HD3 LYS 38 2HD LYS 38 7.318 19.964 2.569 281 HE2 LYS 38 1HE LYS 38 8.255 21.593 1.274 282 HE3 LYS 38 2HE LYS 38 9.541 20.390 1.205 283 HZ1 LYS 38 3HZ LYS 38 7.660 19.893 -0.838 284 HZ2 LYS 38 1HZ LYS 38 9.304 20.268 -0.979 285 HZ3 LYS 38 2HZ LYS 38 8.156 21.508 -0.921 286 H SER 39 H SER 39 5.322 18.290 4.017 287 HA SER 39 HA SER 39 3.391 19.580 2.212 288 HB2 SER 39 1HB SER 39 2.205 18.608 4.008 289 HB3 SER 39 2HB SER 39 3.401 19.134 5.193 290 HG SER 39 HG SER 39 1.226 20.446 4.234 291 H GLY 40 H GLY 40 4.413 21.309 1.351 292 HA2 GLY 40 1HA GLY 40 6.244 22.931 2.852 293 HA3 GLY 40 2HA GLY 40 5.649 23.257 1.231 294 HA PRO 41 HA PRO 41 3.300 26.569 2.906 295 HB2 PRO 41 1HB PRO 41 1.440 26.824 0.945 296 HB3 PRO 41 2HB PRO 41 3.120 27.338 0.748 297 HG2 PRO 41 1HG PRO 41 1.788 24.821 -0.176 298 HG3 PRO 41 2HG PRO 41 2.935 25.862 -1.039 299 HD2 PRO 41 1HD PRO 41 3.681 23.551 0.159 300 HD3 PRO 41 2HD PRO 41 4.761 24.955 0.037 301 H SER 42 H SER 42 2.181 26.032 4.706 302 HA SER 42 HA SER 42 -0.530 25.025 4.351 303 HB2 SER 42 1HB SER 42 0.624 22.970 4.793 304 HB3 SER 42 2HB SER 42 1.532 23.697 6.119 305 HG SER 42 HG SER 42 -0.046 23.124 7.363 306 H SER 43 H SER 43 -1.732 26.550 5.257 307 HA SER 43 HA SER 43 -1.217 27.346 8.000 308 HB2 SER 43 1HB SER 43 -1.304 29.754 7.507 309 HB3 SER 43 2HB SER 43 0.074 28.995 6.709 310 HG SER 43 HG SER 43 -2.313 29.142 5.280 311 H GLY 44 H GLY 44 -3.125 26.738 8.826 312 HA2 GLY 44 1HA GLY 44 -5.476 28.215 8.226 313 HA3 GLY 44 2HA GLY 44 -5.571 26.606 7.527 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -16.029 5.573 10.683 2 HA2 GLY 1 1HA GLY 1 -17.100 3.587 12.584 3 HA3 GLY 1 2HA GLY 1 -18.170 4.451 11.490 4 H SER 2 H SER 2 -17.940 1.641 11.604 5 HA SER 2 HA SER 2 -16.861 1.113 8.917 6 HB2 SER 2 1HB SER 2 -16.430 -0.411 11.456 7 HB3 SER 2 2HB SER 2 -16.499 -1.296 9.932 8 HG SER 2 HG SER 2 -14.380 -0.355 10.787 9 H SER 3 H SER 3 -18.958 -0.244 11.460 10 HA SER 3 HA SER 3 -20.845 -1.536 11.313 11 HB2 SER 3 1HB SER 3 -22.659 -0.467 10.069 12 HB3 SER 3 2HB SER 3 -21.705 0.748 10.918 13 HG SER 3 HG SER 3 -22.110 1.393 8.782 14 H GLY 4 H GLY 4 -18.776 -2.687 9.862 15 HA2 GLY 4 1HA GLY 4 -18.796 -4.647 8.554 16 HA3 GLY 4 2HA GLY 4 -20.323 -4.135 7.850 17 H SER 5 H SER 5 -16.845 -3.510 7.859 18 HA SER 5 HA SER 5 -17.121 -2.324 5.177 19 HB2 SER 5 1HB SER 5 -16.024 -1.057 7.215 20 HB3 SER 5 2HB SER 5 -14.618 -2.035 6.793 21 HG SER 5 HG SER 5 -14.995 -1.197 4.583 22 H SER 6 H SER 6 -14.917 -4.337 7.122 23 HA SER 6 HA SER 6 -14.297 -5.853 4.676 24 HB2 SER 6 1HB SER 6 -11.978 -6.071 5.389 25 HB3 SER 6 2HB SER 6 -12.406 -4.363 5.286 26 HG SER 6 HG SER 6 -12.231 -5.953 7.629 27 H GLY 7 H GLY 7 -14.965 -7.879 4.877 28 HA2 GLY 7 1HA GLY 7 -16.059 -9.122 7.021 29 HA3 GLY 7 2HA GLY 7 -15.188 -9.998 5.771 30 H THR 8 H THR 8 -15.366 -10.701 8.544 31 HA THR 8 HA THR 8 -13.343 -10.012 10.220 32 HB THR 8 HB THR 8 -13.307 -12.407 10.997 33 HG1 THR 8 HG1 THR 8 -13.981 -13.834 9.598 34 HG21 THR 8 3HG2 THR 8 -14.936 -11.534 12.256 35 HG22 THR 8 1HG2 THR 8 -16.072 -12.245 11.110 36 HG23 THR 8 2HG2 THR 8 -15.556 -10.569 10.916 37 H ASP 9 H ASP 9 -13.104 -12.300 7.517 38 HA ASP 9 HA ASP 9 -10.199 -12.412 7.890 39 HB2 ASP 9 1HB ASP 9 -11.248 -14.576 7.690 40 HB3 ASP 9 2HB ASP 9 -12.072 -14.089 6.211 41 H SER 10 H SER 10 -12.596 -11.892 5.310 42 HA SER 10 HA SER 10 -10.827 -11.183 3.281 43 HB2 SER 10 1HB SER 10 -13.693 -10.407 3.809 44 HB3 SER 10 2HB SER 10 -12.830 -9.874 2.366 45 HG SER 10 HG SER 10 -14.089 -12.117 2.653 46 H LYS 11 H LYS 11 -9.329 -9.651 3.354 47 HA LYS 11 HA LYS 11 -10.093 -6.990 4.335 48 HB2 LYS 11 1HB LYS 11 -8.030 -6.715 5.515 49 HB3 LYS 11 2HB LYS 11 -8.751 -8.225 6.057 50 HG2 LYS 11 1HG LYS 11 -7.204 -9.521 4.854 51 HG3 LYS 11 2HG LYS 11 -6.668 -8.138 3.898 52 HD2 LYS 11 1HD LYS 11 -4.953 -8.425 5.450 53 HD3 LYS 11 2HD LYS 11 -5.932 -7.136 6.154 54 HE2 LYS 11 1HE LYS 11 -6.806 -8.519 7.791 55 HE3 LYS 11 2HE LYS 11 -6.479 -9.986 6.870 56 HZ1 LYS 11 3HZ LYS 11 -4.310 -8.289 7.955 57 HZ2 LYS 11 1HZ LYS 11 -4.210 -9.882 7.394 58 HZ3 LYS 11 2HZ LYS 11 -5.004 -9.546 8.849 59 H SER 12 H SER 12 -8.337 -5.342 3.681 60 HA SER 12 HA SER 12 -6.764 -5.912 1.370 61 HB2 SER 12 1HB SER 12 -7.989 -4.658 -0.282 62 HB3 SER 12 2HB SER 12 -9.082 -5.860 0.403 63 HG SER 12 HG SER 12 -9.325 -3.188 0.368 64 H TYR 13 H TYR 13 -5.151 -4.479 1.251 65 HA TYR 13 HA TYR 13 -5.261 -2.149 3.007 66 HB2 TYR 13 1HB TYR 13 -2.875 -3.167 1.463 67 HB3 TYR 13 2HB TYR 13 -2.876 -2.083 2.850 68 HD1 TYR 13 HD2 TYR 13 -3.695 -3.028 5.087 69 HD2 TYR 13 HD1 TYR 13 -2.669 -5.478 1.763 70 HE1 TYR 13 HE2 TYR 13 -3.425 -4.951 6.596 71 HE2 TYR 13 HE1 TYR 13 -2.398 -7.409 3.263 72 HH TYR 13 HH TYR 13 -3.206 -7.204 6.686 73 H ASN 14 H ASN 14 -5.598 -0.167 2.264 74 HA ASN 14 HA ASN 14 -5.037 0.391 -0.573 75 HB2 ASN 14 1HB ASN 14 -7.354 1.489 1.035 76 HB3 ASN 14 2HB ASN 14 -7.011 1.821 -0.660 77 HD21 ASN 14 1HD2 ASN 14 -9.433 0.794 0.275 78 HD22 ASN 14 2HD2 ASN 14 -9.627 -0.805 -0.351 79 H CYS 15 H CYS 15 -3.768 2.094 -0.947 80 HA CYS 15 HA CYS 15 -2.644 3.559 1.228 81 HB2 CYS 15 1HB CYS 15 -1.411 2.948 -0.864 82 HB3 CYS 15 2HB CYS 15 -2.387 4.130 -1.730 83 H ASN 16 H ASN 16 -3.445 5.304 2.174 84 HA ASN 16 HA ASN 16 -5.748 6.648 1.122 85 HB2 ASN 16 1HB ASN 16 -4.058 6.964 3.585 86 HB3 ASN 16 2HB ASN 16 -5.253 8.187 3.164 87 HD21 ASN 16 1HD2 ASN 16 -6.779 7.889 4.655 88 HD22 ASN 16 2HD2 ASN 16 -7.620 6.405 4.930 89 H GLU 17 H GLU 17 -2.344 7.509 1.624 90 HA GLU 17 HA GLU 17 -2.177 10.116 1.073 91 HB2 GLU 17 1HB GLU 17 -0.502 7.834 0.099 92 HB3 GLU 17 2HB GLU 17 -0.143 9.464 -0.453 93 HG2 GLU 17 1HG GLU 17 1.245 9.180 1.381 94 HG3 GLU 17 2HG GLU 17 -0.116 10.098 2.024 95 H CYS 18 H CYS 18 -2.436 7.658 -1.495 96 HA CYS 18 HA CYS 18 -3.282 9.784 -3.343 97 HB2 CYS 18 1HB CYS 18 -2.734 8.118 -5.135 98 HB3 CYS 18 2HB CYS 18 -1.352 8.618 -4.167 99 H GLY 19 H GLY 19 -4.114 6.582 -2.112 100 HA2 GLY 19 1HA GLY 19 -6.435 6.057 -1.693 101 HA3 GLY 19 2HA GLY 19 -6.857 7.023 -3.099 102 H LYS 20 H LYS 20 -4.266 4.642 -2.937 103 HA LYS 20 HA LYS 20 -5.486 3.225 -5.172 104 HB2 LYS 20 1HB LYS 20 -2.971 3.930 -4.901 105 HB3 LYS 20 2HB LYS 20 -2.862 2.453 -3.952 106 HG2 LYS 20 1HG LYS 20 -3.245 1.096 -5.766 107 HG3 LYS 20 2HG LYS 20 -4.090 2.357 -6.667 108 HD2 LYS 20 1HD LYS 20 -1.948 3.548 -6.950 109 HD3 LYS 20 2HD LYS 20 -1.125 2.233 -6.109 110 HE2 LYS 20 1HE LYS 20 -2.767 1.835 -8.602 111 HE3 LYS 20 2HE LYS 20 -1.033 2.153 -8.627 112 HZ1 LYS 20 3HZ LYS 20 -0.550 0.104 -7.823 113 HZ2 LYS 20 1HZ LYS 20 -2.005 -0.283 -8.593 114 HZ3 LYS 20 2HZ LYS 20 -1.977 -0.023 -6.923 115 H ALA 21 H ALA 21 -5.273 0.780 -5.141 116 HA ALA 21 HA ALA 21 -5.808 -0.308 -2.461 117 HB1 ALA 21 3HB ALA 21 -7.872 0.168 -3.994 118 HB2 ALA 21 1HB ALA 21 -7.370 -1.324 -4.790 119 HB3 ALA 21 2HB ALA 21 -7.773 -1.332 -3.072 120 H PHE 22 H PHE 22 -4.333 -1.808 -2.051 121 HA PHE 22 HA PHE 22 -3.312 -3.434 -4.282 122 HB2 PHE 22 1HB PHE 22 -1.999 -2.872 -1.615 123 HB3 PHE 22 2HB PHE 22 -1.296 -3.782 -2.947 124 HD1 PHE 22 HD1 PHE 22 -2.241 -0.452 -1.747 125 HD2 PHE 22 HD2 PHE 22 -0.392 -2.673 -4.873 126 HE1 PHE 22 HE1 PHE 22 -1.295 1.627 -2.661 127 HE2 PHE 22 HE2 PHE 22 0.557 -0.598 -5.791 128 HZ PHE 22 HZ PHE 22 0.108 1.556 -4.684 129 H THR 23 H THR 23 -3.105 -5.667 -4.035 130 HA THR 23 HA THR 23 -4.913 -6.813 -2.043 131 HB THR 23 HB THR 23 -5.462 -7.604 -4.187 132 HG1 THR 23 HG1 THR 23 -4.743 -9.867 -4.076 133 HG21 THR 23 3HG2 THR 23 -3.440 -8.853 -5.436 134 HG22 THR 23 1HG2 THR 23 -2.531 -7.594 -4.600 135 HG23 THR 23 2HG2 THR 23 -3.834 -7.155 -5.706 136 H ARG 24 H ARG 24 -1.557 -6.655 -2.876 137 HA ARG 24 HA ARG 24 -0.860 -8.871 -1.116 138 HB2 ARG 24 1HB ARG 24 0.567 -7.247 -3.158 139 HB3 ARG 24 2HB ARG 24 1.529 -7.919 -1.849 140 HG2 ARG 24 1HG ARG 24 1.481 -9.351 -3.849 141 HG3 ARG 24 2HG ARG 24 0.832 -10.151 -2.416 142 HD2 ARG 24 1HD ARG 24 -1.398 -9.885 -3.166 143 HD3 ARG 24 2HD ARG 24 -0.912 -8.756 -4.430 144 HE ARG 24 HE ARG 24 0.412 -11.017 -5.088 145 HH11 ARG 24 1HH1 ARG 24 -2.921 -10.334 -4.351 146 HH12 ARG 24 2HH1 ARG 24 -3.540 -11.588 -5.373 147 HH21 ARG 24 1HH2 ARG 24 -0.390 -12.673 -6.437 148 HH22 ARG 24 2HH2 ARG 24 -2.100 -12.919 -6.558 149 H ILE 25 H ILE 25 1.201 -8.367 0.276 150 HA ILE 25 HA ILE 25 0.514 -6.036 1.924 151 HB ILE 25 HB ILE 25 0.474 -8.237 3.046 152 HG12 ILE 25 1HG1 ILE 25 1.989 -7.596 4.950 153 HG13 ILE 25 2HG1 ILE 25 2.609 -6.292 3.943 154 HG21 ILE 25 1HG2 ILE 25 2.174 -9.717 3.024 155 HG22 ILE 25 2HG2 ILE 25 2.630 -8.861 1.553 156 HG23 ILE 25 3HG2 ILE 25 3.410 -8.461 3.083 157 HD11 ILE 25 3HD1 ILE 25 0.601 -6.008 5.695 158 HD12 ILE 25 1HD1 ILE 25 0.784 -5.020 4.246 159 HD13 ILE 25 2HD1 ILE 25 -0.315 -6.400 4.240 160 H PHE 26 H PHE 26 3.144 -7.583 0.198 161 HA PHE 26 HA PHE 26 5.096 -5.651 1.111 162 HB2 PHE 26 1HB PHE 26 6.453 -6.895 -0.785 163 HB3 PHE 26 2HB PHE 26 6.158 -7.666 0.770 164 HD1 PHE 26 HD2 PHE 26 5.263 -7.610 -2.779 165 HD2 PHE 26 HD1 PHE 26 4.665 -9.539 0.968 166 HE1 PHE 26 HE2 PHE 26 4.188 -9.501 -3.928 167 HE2 PHE 26 HE1 PHE 26 3.590 -11.434 -0.176 168 HZ PHE 26 HZ PHE 26 3.349 -11.416 -2.627 169 H HIS 27 H HIS 27 3.038 -6.179 -1.650 170 HA HIS 27 HA HIS 27 4.337 -4.460 -3.474 171 HB2 HIS 27 1HB HIS 27 2.369 -6.202 -3.780 172 HB3 HIS 27 2HB HIS 27 1.366 -4.775 -3.535 173 HD2 HIS 27 HD2 HIS 27 3.268 -2.712 -5.345 174 HE1 HIS 27 HE1 HIS 27 2.354 -5.443 -8.461 175 HE2 HIS 27 HE2 HIS 27 3.267 -3.165 -7.892 176 H LEU 28 H LEU 28 2.138 -3.888 -0.835 177 HA LEU 28 HA LEU 28 1.531 -1.181 -1.615 178 HB2 LEU 28 1HB LEU 28 -0.176 -2.211 -0.406 179 HB3 LEU 28 2HB LEU 28 0.943 -2.875 0.784 180 HG LEU 28 HG LEU 28 1.256 -0.649 1.740 181 HD11 LEU 28 1HD1 LEU 28 -0.781 0.236 -0.299 182 HD12 LEU 28 2HD1 LEU 28 0.927 0.672 -0.282 183 HD13 LEU 28 3HD1 LEU 28 -0.135 1.221 1.014 184 HD21 LEU 28 3HD2 LEU 28 -1.675 -1.292 1.457 185 HD22 LEU 28 1HD2 LEU 28 -0.890 -0.438 2.786 186 HD23 LEU 28 2HD2 LEU 28 -0.565 -2.151 2.525 187 H THR 29 H THR 29 3.558 -2.752 0.834 188 HA THR 29 HA THR 29 4.493 -0.448 2.110 189 HB THR 29 HB THR 29 5.925 -3.083 1.712 190 HG1 THR 29 HG1 THR 29 3.753 -2.726 2.958 191 HG21 THR 29 3HG2 THR 29 6.866 -0.639 2.805 192 HG22 THR 29 1HG2 THR 29 7.666 -2.210 2.792 193 HG23 THR 29 2HG2 THR 29 6.619 -1.764 4.140 194 H ARG 30 H ARG 30 5.503 -2.003 -0.863 195 HA ARG 30 HA ARG 30 7.890 -0.414 -1.135 196 HB2 ARG 30 1HB ARG 30 8.218 -1.542 -3.212 197 HB3 ARG 30 2HB ARG 30 7.618 -2.734 -2.067 198 HG2 ARG 30 1HG ARG 30 5.417 -2.627 -3.031 199 HG3 ARG 30 2HG ARG 30 5.912 -1.312 -4.098 200 HD2 ARG 30 1HD ARG 30 5.966 -3.259 -5.424 201 HD3 ARG 30 2HD ARG 30 7.648 -2.908 -5.026 202 HE ARG 30 HE ARG 30 6.080 -5.175 -4.146 203 HH11 ARG 30 1HH1 ARG 30 8.935 -3.242 -3.666 204 HH12 ARG 30 2HH1 ARG 30 9.796 -4.488 -2.824 205 HH21 ARG 30 1HH2 ARG 30 7.203 -6.824 -3.039 206 HH22 ARG 30 2HH2 ARG 30 8.810 -6.525 -2.469 207 H HIS 31 H HIS 31 4.770 0.421 -1.296 208 HA HIS 31 HA HIS 31 5.166 2.301 -3.529 209 HB2 HIS 31 1HB HIS 31 3.273 1.092 -4.123 210 HB3 HIS 31 2HB HIS 31 2.728 0.929 -2.456 211 HD1 HIS 31 HD1 HIS 31 2.688 3.299 -5.355 212 HD2 HIS 31 HD2 HIS 31 1.148 3.022 -1.506 213 HE1 HIS 31 HE1 HIS 31 0.983 5.139 -5.179 214 H GLN 32 H GLN 32 3.444 2.075 -0.411 215 HA GLN 32 HA GLN 32 2.868 4.691 0.048 216 HB2 GLN 32 1HB GLN 32 3.860 2.638 2.027 217 HB3 GLN 32 2HB GLN 32 3.174 4.190 2.492 218 HG2 GLN 32 1HG GLN 32 1.167 3.406 1.013 219 HG3 GLN 32 2HG GLN 32 1.844 1.805 1.307 220 HE21 GLN 32 1HE2 GLN 32 1.764 0.933 3.352 221 HE22 GLN 32 2HE2 GLN 32 0.814 1.613 4.625 222 H LYS 33 H LYS 33 5.991 3.284 -0.133 223 HA LYS 33 HA LYS 33 7.336 5.401 1.299 224 HB2 LYS 33 1HB LYS 33 9.352 4.237 0.835 225 HB3 LYS 33 2HB LYS 33 8.143 3.006 1.175 226 HG2 LYS 33 1HG LYS 33 8.128 2.227 -0.962 227 HG3 LYS 33 2HG LYS 33 8.548 3.795 -1.655 228 HD2 LYS 33 1HD LYS 33 10.530 2.710 -1.970 229 HD3 LYS 33 2HD LYS 33 10.812 3.348 -0.348 230 HE2 LYS 33 1HE LYS 33 10.549 1.294 0.650 231 HE3 LYS 33 2HE LYS 33 9.521 0.678 -0.643 232 HZ1 LYS 33 3HZ LYS 33 12.261 0.300 -0.307 233 HZ2 LYS 33 1HZ LYS 33 12.062 1.250 -1.692 234 HZ3 LYS 33 2HZ LYS 33 11.284 -0.248 -1.575 235 H ILE 34 H ILE 34 5.666 5.881 -1.192 236 HA ILE 34 HA ILE 34 7.738 7.221 -2.804 237 HB ILE 34 HB ILE 34 6.389 7.042 -4.719 238 HG12 ILE 34 1HG1 ILE 34 4.120 6.084 -2.961 239 HG13 ILE 34 2HG1 ILE 34 4.267 7.712 -3.614 240 HG21 ILE 34 1HG2 ILE 34 7.018 4.920 -4.893 241 HG22 ILE 34 2HG2 ILE 34 6.920 4.701 -3.147 242 HG23 ILE 34 3HG2 ILE 34 5.490 4.451 -4.148 243 HD11 ILE 34 3HD1 ILE 34 2.799 6.686 -5.069 244 HD12 ILE 34 1HD1 ILE 34 4.344 6.539 -5.905 245 HD13 ILE 34 2HD1 ILE 34 3.675 5.156 -5.038 246 H HIS 35 H HIS 35 5.232 7.726 -0.628 247 HA HIS 35 HA HIS 35 4.595 10.392 -1.654 248 HB2 HIS 35 1HB HIS 35 3.388 8.763 0.588 249 HB3 HIS 35 2HB HIS 35 2.888 10.402 0.183 250 HD1 HIS 35 HD1 HIS 35 2.244 10.546 -2.583 251 HD2 HIS 35 HD2 HIS 35 1.768 6.948 -0.562 252 HE1 HIS 35 HE1 HIS 35 0.626 9.208 -3.966 253 H THR 36 H THR 36 6.852 11.039 -1.153 254 HA THR 36 HA THR 36 7.237 11.626 1.706 255 HB THR 36 HB THR 36 9.617 11.954 1.182 256 HG1 THR 36 HG1 THR 36 8.661 11.590 -1.424 257 HG21 THR 36 3HG2 THR 36 10.096 9.550 0.455 258 HG22 THR 36 1HG2 THR 36 8.346 9.348 0.383 259 HG23 THR 36 2HG2 THR 36 9.123 9.771 1.909 260 H ARG 37 H ARG 37 7.638 13.699 2.396 261 HA ARG 37 HA ARG 37 7.687 15.839 0.397 262 HB2 ARG 37 1HB ARG 37 5.328 15.300 1.419 263 HB3 ARG 37 2HB ARG 37 5.952 16.173 2.812 264 HG2 ARG 37 1HG ARG 37 6.282 18.151 1.502 265 HG3 ARG 37 2HG ARG 37 5.868 17.289 0.019 266 HD2 ARG 37 1HD ARG 37 4.004 17.722 2.350 267 HD3 ARG 37 2HD ARG 37 4.020 18.691 0.877 268 HE ARG 37 HE ARG 37 3.708 15.895 0.357 269 HH11 ARG 37 1HH1 ARG 37 2.031 18.808 1.262 270 HH12 ARG 37 2HH1 ARG 37 0.499 18.270 0.656 271 HH21 ARG 37 1HH2 ARG 37 1.697 15.175 -0.444 272 HH22 ARG 37 2HH2 ARG 37 0.311 16.203 -0.313 273 H LYS 38 H LYS 38 8.255 17.965 1.384 274 HA LYS 38 HA LYS 38 10.295 17.552 3.446 275 HB2 LYS 38 1HB LYS 38 9.861 19.743 1.418 276 HB3 LYS 38 2HB LYS 38 11.053 19.861 2.706 277 HG2 LYS 38 1HG LYS 38 12.371 19.065 1.036 278 HG3 LYS 38 2HG LYS 38 11.826 17.535 1.729 279 HD2 LYS 38 1HD LYS 38 10.005 17.485 0.037 280 HD3 LYS 38 2HD LYS 38 10.698 18.934 -0.695 281 HE2 LYS 38 1HE LYS 38 12.424 16.538 -0.256 282 HE3 LYS 38 2HE LYS 38 11.298 16.554 -1.613 283 HZ1 LYS 38 3HZ LYS 38 12.451 18.941 -1.881 284 HZ2 LYS 38 1HZ LYS 38 13.012 17.541 -2.647 285 HZ3 LYS 38 2HZ LYS 38 13.738 18.069 -1.214 286 H SER 39 H SER 39 7.669 19.799 2.608 287 HA SER 39 HA SER 39 7.667 21.570 4.628 288 HB2 SER 39 1HB SER 39 5.197 20.084 3.698 289 HB3 SER 39 2HB SER 39 5.221 21.658 4.494 290 HG SER 39 HG SER 39 6.780 22.066 2.552 291 H GLY 40 H GLY 40 6.194 18.331 4.885 292 HA2 GLY 40 1HA GLY 40 7.097 17.884 7.514 293 HA3 GLY 40 2HA GLY 40 5.457 18.513 7.583 294 HA PRO 41 HA PRO 41 5.437 14.182 5.353 295 HB2 PRO 41 1HB PRO 41 7.508 12.576 6.063 296 HB3 PRO 41 2HB PRO 41 7.553 13.633 4.647 297 HG2 PRO 41 1HG PRO 41 8.716 14.065 7.371 298 HG3 PRO 41 2HG PRO 41 9.433 14.397 5.784 299 HD2 PRO 41 1HD PRO 41 8.321 16.334 7.314 300 HD3 PRO 41 2HD PRO 41 8.284 16.380 5.540 301 H SER 42 H SER 42 6.857 14.523 8.577 302 HA SER 42 HA SER 42 5.711 12.171 9.668 303 HB2 SER 42 1HB SER 42 7.635 13.233 10.722 304 HB3 SER 42 2HB SER 42 6.691 14.689 11.036 305 HG SER 42 HG SER 42 6.576 12.182 12.277 306 H SER 43 H SER 43 4.785 15.600 9.936 307 HA SER 43 HA SER 43 2.877 16.547 10.822 308 HB2 SER 43 1HB SER 43 0.953 16.115 9.429 309 HB3 SER 43 2HB SER 43 2.393 16.046 8.413 310 HG SER 43 HG SER 43 0.666 14.008 9.206 311 H GLY 44 H GLY 44 3.771 14.628 12.598 312 HA2 GLY 44 1HA GLY 44 1.291 13.942 13.911 313 HA3 GLY 44 2HA GLY 44 2.222 12.548 13.382 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -25.153 -18.602 17.587 2 HA2 GLY 1 1HA GLY 1 -27.422 -18.678 15.710 3 HA3 GLY 1 2HA GLY 1 -27.152 -17.438 16.925 4 H SER 2 H SER 2 -27.693 -16.331 14.691 5 HA SER 2 HA SER 2 -25.265 -15.937 13.113 6 HB2 SER 2 1HB SER 2 -28.067 -14.884 12.658 7 HB3 SER 2 2HB SER 2 -26.713 -14.735 11.539 8 HG SER 2 HG SER 2 -27.011 -16.726 10.922 9 H SER 3 H SER 3 -27.665 -14.024 14.906 10 HA SER 3 HA SER 3 -27.566 -11.968 15.876 11 HB2 SER 3 1HB SER 3 -24.650 -12.746 15.992 12 HB3 SER 3 2HB SER 3 -25.271 -11.265 16.721 13 HG SER 3 HG SER 3 -25.771 -12.471 18.356 14 H GLY 4 H GLY 4 -27.713 -11.961 13.102 15 HA2 GLY 4 1HA GLY 4 -27.630 -10.398 11.412 16 HA3 GLY 4 2HA GLY 4 -26.830 -9.308 12.534 17 H SER 5 H SER 5 -26.453 -11.378 9.862 18 HA SER 5 HA SER 5 -23.521 -11.184 10.048 19 HB2 SER 5 1HB SER 5 -25.353 -13.230 8.886 20 HB3 SER 5 2HB SER 5 -23.800 -12.970 8.092 21 HG SER 5 HG SER 5 -23.115 -13.110 10.527 22 H SER 6 H SER 6 -24.944 -8.936 9.257 23 HA SER 6 HA SER 6 -25.028 -8.804 6.378 24 HB2 SER 6 1HB SER 6 -25.490 -6.358 6.808 25 HB3 SER 6 2HB SER 6 -26.635 -7.472 7.556 26 HG SER 6 HG SER 6 -25.824 -5.739 8.935 27 H GLY 7 H GLY 7 -23.172 -6.991 8.836 28 HA2 GLY 7 1HA GLY 7 -21.408 -5.602 7.381 29 HA3 GLY 7 2HA GLY 7 -20.908 -6.461 8.830 30 H THR 8 H THR 8 -19.593 -5.869 6.166 31 HA THR 8 HA THR 8 -19.049 -8.611 5.272 32 HB THR 8 HB THR 8 -18.222 -6.016 3.958 33 HG1 THR 8 HG1 THR 8 -20.522 -6.382 3.973 34 HG21 THR 8 3HG2 THR 8 -18.296 -7.986 2.044 35 HG22 THR 8 1HG2 THR 8 -17.645 -8.835 3.446 36 HG23 THR 8 2HG2 THR 8 -16.841 -7.387 2.840 37 H ASP 9 H ASP 9 -17.122 -9.566 5.578 38 HA ASP 9 HA ASP 9 -14.950 -7.935 6.722 39 HB2 ASP 9 1HB ASP 9 -15.503 -9.210 8.558 40 HB3 ASP 9 2HB ASP 9 -16.073 -10.560 7.581 41 H SER 10 H SER 10 -13.477 -7.717 5.164 42 HA SER 10 HA SER 10 -12.296 -10.105 4.015 43 HB2 SER 10 1HB SER 10 -14.067 -9.568 2.402 44 HB3 SER 10 2HB SER 10 -13.449 -7.923 2.259 45 HG SER 10 HG SER 10 -11.406 -9.032 1.616 46 H LYS 11 H LYS 11 -10.153 -9.882 3.662 47 HA LYS 11 HA LYS 11 -8.825 -7.587 4.680 48 HB2 LYS 11 1HB LYS 11 -6.792 -8.736 4.196 49 HB3 LYS 11 2HB LYS 11 -7.948 -9.946 4.738 50 HG2 LYS 11 1HG LYS 11 -8.394 -10.500 2.356 51 HG3 LYS 11 2HG LYS 11 -7.096 -9.392 1.905 52 HD2 LYS 11 1HD LYS 11 -6.021 -11.447 1.947 53 HD3 LYS 11 2HD LYS 11 -5.661 -10.791 3.546 54 HE2 LYS 11 1HE LYS 11 -6.319 -12.929 4.079 55 HE3 LYS 11 2HE LYS 11 -7.843 -12.056 4.231 56 HZ1 LYS 11 3HZ LYS 11 -7.909 -12.754 1.660 57 HZ2 LYS 11 1HZ LYS 11 -8.581 -13.688 2.901 58 HZ3 LYS 11 2HZ LYS 11 -7.046 -14.061 2.297 59 H SER 12 H SER 12 -7.815 -5.919 3.658 60 HA SER 12 HA SER 12 -7.339 -5.850 0.849 61 HB2 SER 12 1HB SER 12 -9.803 -4.546 1.943 62 HB3 SER 12 2HB SER 12 -8.937 -3.769 0.618 63 HG SER 12 HG SER 12 -10.540 -5.963 0.587 64 H TYR 13 H TYR 13 -5.570 -4.664 0.641 65 HA TYR 13 HA TYR 13 -4.924 -2.692 2.701 66 HB2 TYR 13 1HB TYR 13 -3.139 -3.678 0.473 67 HB3 TYR 13 2HB TYR 13 -2.656 -2.835 1.941 68 HD1 TYR 13 HD2 TYR 13 -3.034 -4.034 4.172 69 HD2 TYR 13 HD1 TYR 13 -3.196 -6.016 0.411 70 HE1 TYR 13 HE2 TYR 13 -2.681 -6.191 5.300 71 HE2 TYR 13 HE1 TYR 13 -2.845 -8.179 1.529 72 HH TYR 13 HH TYR 13 -2.112 -9.131 3.508 73 H ASN 14 H ASN 14 -5.564 -0.681 2.323 74 HA ASN 14 HA ASN 14 -5.388 0.353 -0.431 75 HB2 ASN 14 1HB ASN 14 -7.308 1.209 1.746 76 HB3 ASN 14 2HB ASN 14 -7.237 1.869 0.115 77 HD21 ASN 14 1HD2 ASN 14 -7.700 -1.155 1.885 78 HD22 ASN 14 2HD2 ASN 14 -8.813 -1.848 0.759 79 H CYS 15 H CYS 15 -4.367 2.272 -0.773 80 HA CYS 15 HA CYS 15 -2.781 3.301 1.439 81 HB2 CYS 15 1HB CYS 15 -1.831 2.781 -0.865 82 HB3 CYS 15 2HB CYS 15 -2.691 4.207 -1.438 83 H ASN 16 H ASN 16 -4.719 4.205 2.492 84 HA ASN 16 HA ASN 16 -6.456 6.072 1.584 85 HB2 ASN 16 1HB ASN 16 -6.141 7.164 3.936 86 HB3 ASN 16 2HB ASN 16 -6.751 5.516 3.822 87 HD21 ASN 16 1HD2 ASN 16 -5.260 3.777 4.182 88 HD22 ASN 16 2HD2 ASN 16 -3.892 4.016 5.209 89 H GLU 17 H GLU 17 -3.043 6.448 1.923 90 HA GLU 17 HA GLU 17 -2.866 9.250 2.064 91 HB2 GLU 17 1HB GLU 17 -0.880 8.115 2.539 92 HB3 GLU 17 2HB GLU 17 -1.010 7.092 1.116 93 HG2 GLU 17 1HG GLU 17 0.740 8.579 0.665 94 HG3 GLU 17 2HG GLU 17 -0.637 9.180 -0.257 95 H CYS 18 H CYS 18 -2.736 7.068 -0.746 96 HA CYS 18 HA CYS 18 -3.212 9.396 -2.483 97 HB2 CYS 18 1HB CYS 18 -2.300 8.043 -4.309 98 HB3 CYS 18 2HB CYS 18 -1.152 8.153 -2.979 99 H GLY 19 H GLY 19 -4.183 6.028 -1.920 100 HA2 GLY 19 1HA GLY 19 -6.596 5.579 -1.895 101 HA3 GLY 19 2HA GLY 19 -6.731 6.655 -3.279 102 H LYS 20 H LYS 20 -4.389 4.064 -2.658 103 HA LYS 20 HA LYS 20 -5.443 2.667 -5.028 104 HB2 LYS 20 1HB LYS 20 -3.144 3.882 -5.195 105 HB3 LYS 20 2HB LYS 20 -2.550 2.529 -4.243 106 HG2 LYS 20 1HG LYS 20 -2.803 1.036 -5.943 107 HG3 LYS 20 2HG LYS 20 -4.149 1.920 -6.667 108 HD2 LYS 20 1HD LYS 20 -2.292 2.141 -8.140 109 HD3 LYS 20 2HD LYS 20 -2.495 3.695 -7.327 110 HE2 LYS 20 1HE LYS 20 -0.750 2.897 -5.672 111 HE3 LYS 20 2HE LYS 20 -0.438 1.565 -6.785 112 HZ1 LYS 20 3HZ LYS 20 0.463 4.251 -6.916 113 HZ2 LYS 20 1HZ LYS 20 -0.392 3.852 -8.321 114 HZ3 LYS 20 2HZ LYS 20 0.937 2.919 -7.846 115 H ALA 21 H ALA 21 -5.944 0.581 -4.763 116 HA ALA 21 HA ALA 21 -5.353 -0.651 -2.173 117 HB1 ALA 21 3HB ALA 21 -7.045 -2.341 -3.616 118 HB2 ALA 21 1HB ALA 21 -7.486 -1.253 -2.300 119 HB3 ALA 21 2HB ALA 21 -7.596 -0.705 -3.973 120 H PHE 22 H PHE 22 -3.817 -2.135 -1.989 121 HA PHE 22 HA PHE 22 -2.814 -3.429 -4.431 122 HB2 PHE 22 1HB PHE 22 -1.444 -3.105 -1.753 123 HB3 PHE 22 2HB PHE 22 -0.730 -3.800 -3.205 124 HD1 PHE 22 HD1 PHE 22 -1.814 -0.716 -1.564 125 HD2 PHE 22 HD2 PHE 22 -0.010 -2.404 -5.029 126 HE1 PHE 22 HE1 PHE 22 -1.041 1.518 -2.246 127 HE2 PHE 22 HE2 PHE 22 0.766 -0.173 -5.717 128 HZ PHE 22 HZ PHE 22 0.252 1.792 -4.324 129 H THR 23 H THR 23 -3.011 -5.561 -4.693 130 HA THR 23 HA THR 23 -4.658 -7.131 -3.091 131 HB THR 23 HB THR 23 -3.672 -9.091 -4.318 132 HG1 THR 23 HG1 THR 23 -2.276 -8.260 -6.160 133 HG21 THR 23 3HG2 THR 23 -5.384 -8.485 -5.631 134 HG22 THR 23 1HG2 THR 23 -4.169 -7.731 -6.662 135 HG23 THR 23 2HG2 THR 23 -5.022 -6.768 -5.455 136 H ARG 24 H ARG 24 -1.124 -6.893 -3.159 137 HA ARG 24 HA ARG 24 -0.951 -8.722 -0.880 138 HB2 ARG 24 1HB ARG 24 1.331 -7.479 -2.417 139 HB3 ARG 24 2HB ARG 24 1.397 -8.861 -1.332 140 HG2 ARG 24 1HG ARG 24 -0.091 -8.804 -3.948 141 HG3 ARG 24 2HG ARG 24 1.522 -9.481 -3.713 142 HD2 ARG 24 1HD ARG 24 -0.667 -10.416 -1.932 143 HD3 ARG 24 2HD ARG 24 -0.659 -10.981 -3.602 144 HE ARG 24 HE ARG 24 1.852 -11.495 -2.862 145 HH11 ARG 24 1HH1 ARG 24 -1.178 -12.120 -1.265 146 HH12 ARG 24 2HH1 ARG 24 -0.606 -13.537 -0.450 147 HH21 ARG 24 1HH2 ARG 24 2.617 -13.359 -1.793 148 HH22 ARG 24 2HH2 ARG 24 1.554 -14.240 -0.750 149 H ILE 25 H ILE 25 1.078 -7.984 0.580 150 HA ILE 25 HA ILE 25 0.280 -5.372 1.644 151 HB ILE 25 HB ILE 25 0.186 -7.229 3.222 152 HG12 ILE 25 1HG1 ILE 25 1.958 -6.262 4.894 153 HG13 ILE 25 2HG1 ILE 25 2.215 -5.059 3.635 154 HG21 ILE 25 1HG2 ILE 25 2.394 -8.185 1.936 155 HG22 ILE 25 2HG2 ILE 25 3.080 -7.589 3.447 156 HG23 ILE 25 3HG2 ILE 25 1.781 -8.781 3.479 157 HD11 ILE 25 3HD1 ILE 25 0.553 -4.550 5.523 158 HD12 ILE 25 1HD1 ILE 25 0.084 -4.186 3.862 159 HD13 ILE 25 2HD1 ILE 25 -0.533 -5.636 4.656 160 H PHE 26 H PHE 26 3.066 -7.165 0.474 161 HA PHE 26 HA PHE 26 5.051 -5.297 1.193 162 HB2 PHE 26 1HB PHE 26 6.474 -6.458 -0.419 163 HB3 PHE 26 2HB PHE 26 5.556 -7.618 0.536 164 HD1 PHE 26 HD2 PHE 26 5.948 -6.085 -2.770 165 HD2 PHE 26 HD1 PHE 26 3.884 -9.010 -0.469 166 HE1 PHE 26 HE2 PHE 26 5.107 -7.114 -4.840 167 HE2 PHE 26 HE1 PHE 26 3.039 -10.045 -2.535 168 HZ PHE 26 HZ PHE 26 3.649 -9.096 -4.724 169 H HIS 27 H HIS 27 3.073 -5.664 -1.713 170 HA HIS 27 HA HIS 27 4.314 -3.751 -3.320 171 HB2 HIS 27 1HB HIS 27 2.338 -5.451 -3.777 172 HB3 HIS 27 2HB HIS 27 1.343 -4.043 -3.416 173 HD2 HIS 27 HD2 HIS 27 3.228 -5.561 -6.340 174 HE1 HIS 27 HE1 HIS 27 2.374 -1.546 -7.412 175 HE2 HIS 27 HE2 HIS 27 3.091 -3.813 -8.242 176 H LEU 28 H LEU 28 1.928 -3.403 -0.765 177 HA LEU 28 HA LEU 28 1.377 -0.648 -1.275 178 HB2 LEU 28 1HB LEU 28 -0.276 -1.905 -0.133 179 HB3 LEU 28 2HB LEU 28 0.880 -2.450 1.080 180 HG LEU 28 HG LEU 28 0.991 -0.183 1.994 181 HD11 LEU 28 1HD1 LEU 28 -1.209 1.118 0.950 182 HD12 LEU 28 2HD1 LEU 28 -0.407 0.445 -0.469 183 HD13 LEU 28 3HD1 LEU 28 0.483 1.500 0.629 184 HD21 LEU 28 3HD2 LEU 28 -1.921 -0.814 1.792 185 HD22 LEU 28 1HD2 LEU 28 -0.971 -0.320 3.193 186 HD23 LEU 28 2HD2 LEU 28 -0.828 -1.962 2.566 187 H THR 29 H THR 29 3.340 -2.345 1.160 188 HA THR 29 HA THR 29 4.303 -0.081 2.488 189 HB THR 29 HB THR 29 5.771 -2.698 2.113 190 HG1 THR 29 HG1 THR 29 3.959 -3.340 3.089 191 HG21 THR 29 3HG2 THR 29 6.917 -2.150 4.149 192 HG22 THR 29 1HG2 THR 29 5.927 -0.709 4.377 193 HG23 THR 29 2HG2 THR 29 7.083 -0.783 3.047 194 H ARG 30 H ARG 30 5.644 -1.872 -0.266 195 HA ARG 30 HA ARG 30 7.965 -0.231 -0.497 196 HB2 ARG 30 1HB ARG 30 8.538 -1.537 -2.328 197 HB3 ARG 30 2HB ARG 30 7.545 -2.639 -1.383 198 HG2 ARG 30 1HG ARG 30 5.601 -1.892 -2.837 199 HG3 ARG 30 2HG ARG 30 6.814 -1.154 -3.884 200 HD2 ARG 30 1HD ARG 30 6.856 -4.052 -3.065 201 HD3 ARG 30 2HD ARG 30 6.090 -3.468 -4.542 202 HE ARG 30 HE ARG 30 8.888 -3.834 -4.083 203 HH11 ARG 30 1HH1 ARG 30 6.538 -1.971 -5.851 204 HH12 ARG 30 2HH1 ARG 30 7.623 -1.587 -7.145 205 HH21 ARG 30 1HH2 ARG 30 10.327 -3.335 -5.781 206 HH22 ARG 30 2HH2 ARG 30 9.778 -2.364 -7.105 207 H HIS 31 H HIS 31 4.702 0.053 -1.542 208 HA HIS 31 HA HIS 31 5.218 1.877 -3.703 209 HB2 HIS 31 1HB HIS 31 3.214 0.791 -4.051 210 HB3 HIS 31 2HB HIS 31 2.788 0.804 -2.342 211 HD1 HIS 31 HD1 HIS 31 2.965 3.180 -5.292 212 HD2 HIS 31 HD2 HIS 31 1.056 2.780 -1.624 213 HE1 HIS 31 HE1 HIS 31 1.283 5.047 -5.203 214 H GLN 32 H GLN 32 3.690 2.247 -0.500 215 HA GLN 32 HA GLN 32 3.226 4.887 -0.356 216 HB2 GLN 32 1HB GLN 32 4.469 3.111 1.739 217 HB3 GLN 32 2HB GLN 32 3.973 4.764 2.077 218 HG2 GLN 32 1HG GLN 32 1.676 4.148 1.330 219 HG3 GLN 32 2HG GLN 32 2.222 2.476 1.221 220 HE21 GLN 32 1HE2 GLN 32 0.690 4.649 3.137 221 HE22 GLN 32 2HE2 GLN 32 0.938 3.907 4.678 222 H LYS 33 H LYS 33 6.356 3.404 -0.548 223 HA LYS 33 HA LYS 33 8.051 5.333 0.424 224 HB2 LYS 33 1HB LYS 33 8.326 3.523 -1.971 225 HB3 LYS 33 2HB LYS 33 9.634 4.564 -1.425 226 HG2 LYS 33 1HG LYS 33 9.725 3.433 0.691 227 HG3 LYS 33 2HG LYS 33 8.298 2.477 0.285 228 HD2 LYS 33 1HD LYS 33 9.503 1.385 -1.512 229 HD3 LYS 33 2HD LYS 33 10.917 2.399 -1.214 230 HE2 LYS 33 1HE LYS 33 11.441 1.313 0.759 231 HE3 LYS 33 2HE LYS 33 9.794 0.728 0.995 232 HZ1 LYS 33 3HZ LYS 33 11.543 -0.226 -1.200 233 HZ2 LYS 33 1HZ LYS 33 10.087 -0.902 -0.665 234 HZ3 LYS 33 2HZ LYS 33 11.466 -0.985 0.310 235 H ILE 34 H ILE 34 6.644 5.176 -2.838 236 HA ILE 34 HA ILE 34 7.825 7.332 -4.032 237 HB ILE 34 HB ILE 34 5.877 7.563 -5.436 238 HG12 ILE 34 1HG1 ILE 34 4.300 5.613 -3.817 239 HG13 ILE 34 2HG1 ILE 34 4.350 7.289 -3.282 240 HG21 ILE 34 1HG2 ILE 34 5.435 4.863 -5.562 241 HG22 ILE 34 2HG2 ILE 34 6.773 5.719 -6.328 242 HG23 ILE 34 3HG2 ILE 34 7.000 4.958 -4.754 243 HD11 ILE 34 3HD1 ILE 34 3.066 6.089 -5.657 244 HD12 ILE 34 1HD1 ILE 34 2.517 7.390 -4.601 245 HD13 ILE 34 2HD1 ILE 34 3.742 7.708 -5.830 246 H HIS 35 H HIS 35 5.542 7.348 -1.430 247 HA HIS 35 HA HIS 35 4.873 10.145 -1.716 248 HB2 HIS 35 1HB HIS 35 4.289 8.172 0.502 249 HB3 HIS 35 2HB HIS 35 3.657 9.814 0.427 250 HD1 HIS 35 HD1 HIS 35 2.650 10.034 -2.386 251 HD2 HIS 35 HD2 HIS 35 2.190 6.587 -0.113 252 HE1 HIS 35 HE1 HIS 35 0.707 8.808 -3.408 253 H THR 36 H THR 36 6.954 11.100 -1.629 254 HA THR 36 HA THR 36 8.152 11.119 1.066 255 HB THR 36 HB THR 36 10.291 11.777 -0.053 256 HG1 THR 36 HG1 THR 36 10.365 11.982 -2.171 257 HG21 THR 36 3HG2 THR 36 10.950 9.590 -0.443 258 HG22 THR 36 1HG2 THR 36 9.422 9.156 -1.208 259 HG23 THR 36 2HG2 THR 36 9.505 9.362 0.542 260 H ARG 37 H ARG 37 7.420 13.049 -1.810 261 HA ARG 37 HA ARG 37 7.159 15.404 -0.101 262 HB2 ARG 37 1HB ARG 37 8.844 15.332 -2.610 263 HB3 ARG 37 2HB ARG 37 8.412 16.791 -1.730 264 HG2 ARG 37 1HG ARG 37 9.722 16.181 0.130 265 HG3 ARG 37 2HG ARG 37 9.908 14.525 -0.451 266 HD2 ARG 37 1HD ARG 37 11.332 15.217 -2.222 267 HD3 ARG 37 2HD ARG 37 10.954 16.917 -1.947 268 HE ARG 37 HE ARG 37 12.064 16.018 0.402 269 HH11 ARG 37 1HH1 ARG 37 13.045 16.222 -2.932 270 HH12 ARG 37 2HH1 ARG 37 14.728 16.404 -2.561 271 HH21 ARG 37 1HH2 ARG 37 14.276 16.257 0.903 272 HH22 ARG 37 2HH2 ARG 37 15.427 16.422 -0.380 273 H LYS 38 H LYS 38 5.967 17.155 -1.129 274 HA LYS 38 HA LYS 38 4.057 16.116 -3.107 275 HB2 LYS 38 1HB LYS 38 2.532 17.870 -2.292 276 HB3 LYS 38 2HB LYS 38 3.042 16.790 -1.001 277 HG2 LYS 38 1HG LYS 38 4.894 18.656 -0.677 278 HG3 LYS 38 2HG LYS 38 3.651 19.657 -1.433 279 HD2 LYS 38 1HD LYS 38 3.117 17.873 0.934 280 HD3 LYS 38 2HD LYS 38 3.603 19.563 1.090 281 HE2 LYS 38 1HE LYS 38 1.640 20.206 -0.276 282 HE3 LYS 38 2HE LYS 38 1.140 18.515 -0.302 283 HZ1 LYS 38 3HZ LYS 38 1.297 18.763 2.262 284 HZ2 LYS 38 1HZ LYS 38 -0.069 19.339 1.445 285 HZ3 LYS 38 2HZ LYS 38 1.138 20.416 1.939 286 H SER 39 H SER 39 6.574 17.042 -3.980 287 HA SER 39 HA SER 39 6.012 19.676 -5.138 288 HB2 SER 39 1HB SER 39 8.426 19.584 -5.842 289 HB3 SER 39 2HB SER 39 8.178 19.539 -4.096 290 HG SER 39 HG SER 39 9.028 17.619 -4.043 291 H GLY 40 H GLY 40 4.397 18.771 -6.585 292 HA2 GLY 40 1HA GLY 40 4.851 16.771 -8.468 293 HA3 GLY 40 2HA GLY 40 3.725 18.104 -8.675 294 HA PRO 41 HA PRO 41 7.354 18.353 -11.698 295 HB2 PRO 41 1HB PRO 41 5.936 17.892 -13.966 296 HB3 PRO 41 2HB PRO 41 6.688 16.599 -13.025 297 HG2 PRO 41 1HG PRO 41 3.840 17.521 -13.039 298 HG3 PRO 41 2HG PRO 41 4.481 15.867 -13.027 299 HD2 PRO 41 1HD PRO 41 3.561 17.090 -10.793 300 HD3 PRO 41 2HD PRO 41 4.883 15.906 -10.758 301 H SER 42 H SER 42 4.605 19.946 -10.835 302 HA SER 42 HA SER 42 3.989 22.136 -11.058 303 HB2 SER 42 1HB SER 42 6.506 22.480 -11.424 304 HB3 SER 42 2HB SER 42 6.133 22.502 -13.147 305 HG SER 42 HG SER 42 4.633 24.138 -11.450 306 H SER 43 H SER 43 2.576 20.244 -12.378 307 HA SER 43 HA SER 43 2.056 21.409 -15.032 308 HB2 SER 43 1HB SER 43 2.679 19.005 -15.029 309 HB3 SER 43 2HB SER 43 1.283 18.666 -14.007 310 HG SER 43 HG SER 43 0.837 20.067 -16.375 311 H GLY 44 H GLY 44 1.077 22.730 -12.790 312 HA2 GLY 44 1HA GLY 44 -0.856 23.570 -11.876 313 HA3 GLY 44 2HA GLY 44 -1.584 23.148 -13.419 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -28.928 -6.425 16.602 2 HA2 GLY 1 1HA GLY 1 -27.581 -7.268 18.397 3 HA3 GLY 1 2HA GLY 1 -28.850 -8.431 18.753 4 H SER 2 H SER 2 -29.345 -9.630 16.396 5 HA SER 2 HA SER 2 -27.392 -11.556 16.164 6 HB2 SER 2 1HB SER 2 -29.617 -11.919 15.280 7 HB3 SER 2 2HB SER 2 -29.393 -10.640 14.086 8 HG SER 2 HG SER 2 -27.551 -12.000 13.351 9 H SER 3 H SER 3 -27.981 -8.970 13.775 10 HA SER 3 HA SER 3 -25.910 -9.331 12.075 11 HB2 SER 3 1HB SER 3 -27.648 -7.487 12.007 12 HB3 SER 3 2HB SER 3 -26.625 -6.589 13.128 13 HG SER 3 HG SER 3 -25.394 -6.066 11.516 14 H GLY 4 H GLY 4 -25.678 -7.276 14.988 15 HA2 GLY 4 1HA GLY 4 -23.882 -6.729 16.309 16 HA3 GLY 4 2HA GLY 4 -23.178 -8.257 15.803 17 H SER 5 H SER 5 -21.664 -8.298 14.163 18 HA SER 5 HA SER 5 -20.916 -5.730 12.959 19 HB2 SER 5 1HB SER 5 -18.616 -5.958 13.527 20 HB3 SER 5 2HB SER 5 -19.510 -6.254 15.019 21 HG SER 5 HG SER 5 -18.584 -8.126 15.076 22 H SER 6 H SER 6 -20.165 -5.852 10.894 23 HA SER 6 HA SER 6 -20.835 -8.011 9.294 24 HB2 SER 6 1HB SER 6 -20.144 -5.519 8.723 25 HB3 SER 6 2HB SER 6 -18.565 -6.257 8.453 26 HG SER 6 HG SER 6 -20.754 -7.535 7.314 27 H GLY 7 H GLY 7 -19.377 -9.367 7.960 28 HA2 GLY 7 1HA GLY 7 -17.233 -10.450 9.660 29 HA3 GLY 7 2HA GLY 7 -18.086 -11.335 8.404 30 H THR 8 H THR 8 -15.180 -10.159 9.133 31 HA THR 8 HA THR 8 -14.537 -9.492 6.333 32 HB THR 8 HB THR 8 -12.510 -8.324 7.287 33 HG1 THR 8 HG1 THR 8 -12.302 -8.919 9.352 34 HG21 THR 8 3HG2 THR 8 -15.093 -7.127 8.266 35 HG22 THR 8 1HG2 THR 8 -14.672 -7.206 6.556 36 HG23 THR 8 2HG2 THR 8 -13.659 -6.291 7.673 37 H ASP 9 H ASP 9 -14.103 -11.603 5.691 38 HA ASP 9 HA ASP 9 -12.309 -13.292 7.159 39 HB2 ASP 9 1HB ASP 9 -14.227 -13.905 5.456 40 HB3 ASP 9 2HB ASP 9 -12.933 -13.755 4.271 41 H SER 10 H SER 10 -12.090 -11.512 4.085 42 HA SER 10 HA SER 10 -9.160 -11.555 4.383 43 HB2 SER 10 1HB SER 10 -9.001 -11.633 1.900 44 HB3 SER 10 2HB SER 10 -9.759 -13.072 2.580 45 HG SER 10 HG SER 10 -10.846 -11.059 1.008 46 H LYS 11 H LYS 11 -9.131 -9.508 5.320 47 HA LYS 11 HA LYS 11 -10.477 -7.242 4.414 48 HB2 LYS 11 1HB LYS 11 -8.923 -5.957 5.715 49 HB3 LYS 11 2HB LYS 11 -9.250 -7.452 6.582 50 HG2 LYS 11 1HG LYS 11 -7.145 -8.376 5.903 51 HG3 LYS 11 2HG LYS 11 -6.831 -6.995 4.850 52 HD2 LYS 11 1HD LYS 11 -5.568 -6.567 6.779 53 HD3 LYS 11 2HD LYS 11 -7.013 -5.570 6.966 54 HE2 LYS 11 1HE LYS 11 -7.914 -6.966 8.593 55 HE3 LYS 11 2HE LYS 11 -6.912 -8.334 8.113 56 HZ1 LYS 11 3HZ LYS 11 -6.421 -6.575 10.165 57 HZ2 LYS 11 1HZ LYS 11 -5.319 -6.136 8.959 58 HZ3 LYS 11 2HZ LYS 11 -5.347 -7.723 9.541 59 H SER 12 H SER 12 -9.038 -5.227 3.687 60 HA SER 12 HA SER 12 -7.349 -6.035 1.425 61 HB2 SER 12 1HB SER 12 -8.460 -4.296 0.020 62 HB3 SER 12 2HB SER 12 -9.537 -5.619 0.466 63 HG SER 12 HG SER 12 -9.423 -3.327 2.081 64 H TYR 13 H TYR 13 -5.644 -4.706 0.993 65 HA TYR 13 HA TYR 13 -5.220 -2.507 2.896 66 HB2 TYR 13 1HB TYR 13 -3.091 -3.800 1.200 67 HB3 TYR 13 2HB TYR 13 -2.889 -2.851 2.669 68 HD1 TYR 13 HD2 TYR 13 -3.697 -3.846 4.861 69 HD2 TYR 13 HD1 TYR 13 -3.313 -6.138 1.297 70 HE1 TYR 13 HE2 TYR 13 -3.681 -5.911 6.198 71 HE2 TYR 13 HE1 TYR 13 -3.297 -8.209 2.624 72 HH TYR 13 HH TYR 13 -4.052 -8.993 4.823 73 H ASN 14 H ASN 14 -5.684 -0.572 2.096 74 HA ASN 14 HA ASN 14 -4.784 0.067 -0.630 75 HB2 ASN 14 1HB ASN 14 -6.868 1.618 -0.669 76 HB3 ASN 14 2HB ASN 14 -7.085 -0.101 -0.984 77 HD21 ASN 14 1HD2 ASN 14 -9.307 0.350 -0.390 78 HD22 ASN 14 2HD2 ASN 14 -9.750 0.343 1.280 79 H CYS 15 H CYS 15 -4.011 2.142 -0.955 80 HA CYS 15 HA CYS 15 -3.091 3.494 1.423 81 HB2 CYS 15 1HB CYS 15 -1.643 3.193 -0.576 82 HB3 CYS 15 2HB CYS 15 -2.716 4.255 -1.481 83 H ASN 16 H ASN 16 -3.698 5.480 2.168 84 HA ASN 16 HA ASN 16 -6.182 6.560 1.042 85 HB2 ASN 16 1HB ASN 16 -6.703 7.396 3.160 86 HB3 ASN 16 2HB ASN 16 -5.899 5.873 3.529 87 HD21 ASN 16 1HD2 ASN 16 -3.610 5.982 4.076 88 HD22 ASN 16 2HD2 ASN 16 -3.020 7.372 4.916 89 H GLU 17 H GLU 17 -2.927 7.498 2.042 90 HA GLU 17 HA GLU 17 -2.964 10.207 1.818 91 HB2 GLU 17 1HB GLU 17 -0.987 8.594 2.256 92 HB3 GLU 17 2HB GLU 17 -0.756 8.642 0.514 93 HG2 GLU 17 1HG GLU 17 -0.926 11.175 2.087 94 HG3 GLU 17 2HG GLU 17 0.578 10.259 2.017 95 H CYS 18 H CYS 18 -2.379 7.980 -0.906 96 HA CYS 18 HA CYS 18 -3.023 10.171 -2.753 97 HB2 CYS 18 1HB CYS 18 -1.925 8.828 -4.477 98 HB3 CYS 18 2HB CYS 18 -0.853 9.064 -3.100 99 H GLY 19 H GLY 19 -3.764 6.765 -2.081 100 HA2 GLY 19 1HA GLY 19 -6.071 6.033 -2.150 101 HA3 GLY 19 2HA GLY 19 -6.337 7.165 -3.468 102 H LYS 20 H LYS 20 -4.675 4.171 -2.588 103 HA LYS 20 HA LYS 20 -5.232 3.108 -5.230 104 HB2 LYS 20 1HB LYS 20 -2.916 4.300 -5.170 105 HB3 LYS 20 2HB LYS 20 -2.404 2.892 -4.250 106 HG2 LYS 20 1HG LYS 20 -2.908 1.430 -6.062 107 HG3 LYS 20 2HG LYS 20 -3.691 2.730 -6.964 108 HD2 LYS 20 1HD LYS 20 -1.601 3.865 -7.264 109 HD3 LYS 20 2HD LYS 20 -0.779 2.740 -6.179 110 HE2 LYS 20 1HE LYS 20 -0.907 0.984 -7.722 111 HE3 LYS 20 2HE LYS 20 -2.158 1.788 -8.668 112 HZ1 LYS 20 3HZ LYS 20 0.118 3.427 -8.604 113 HZ2 LYS 20 1HZ LYS 20 -0.596 2.669 -9.938 114 HZ3 LYS 20 2HZ LYS 20 0.603 1.869 -9.053 115 H ALA 21 H ALA 21 -6.070 1.165 -4.905 116 HA ALA 21 HA ALA 21 -5.649 -0.233 -2.411 117 HB1 ALA 21 3HB ALA 21 -7.662 -0.180 -4.422 118 HB2 ALA 21 1HB ALA 21 -7.107 -1.843 -4.223 119 HB3 ALA 21 2HB ALA 21 -7.707 -0.940 -2.831 120 H PHE 22 H PHE 22 -4.672 -2.223 -2.138 121 HA PHE 22 HA PHE 22 -3.263 -3.364 -4.446 122 HB2 PHE 22 1HB PHE 22 -1.977 -2.919 -1.745 123 HB3 PHE 22 2HB PHE 22 -1.212 -3.607 -3.174 124 HD1 PHE 22 HD2 PHE 22 -0.731 -2.170 -5.127 125 HD2 PHE 22 HD1 PHE 22 -2.178 -0.577 -1.455 126 HE1 PHE 22 HE2 PHE 22 -0.003 0.076 -5.819 127 HE2 PHE 22 HE1 PHE 22 -1.453 1.672 -2.141 128 HZ PHE 22 HZ PHE 22 -0.363 2.000 -4.325 129 H THR 23 H THR 23 -3.333 -5.529 -4.551 130 HA THR 23 HA THR 23 -4.982 -6.970 -2.727 131 HB THR 23 HB THR 23 -4.379 -8.962 -4.071 132 HG1 THR 23 HG1 THR 23 -2.476 -7.159 -5.074 133 HG21 THR 23 3HG2 THR 23 -6.185 -8.060 -5.100 134 HG22 THR 23 1HG2 THR 23 -5.016 -7.717 -6.374 135 HG23 THR 23 2HG2 THR 23 -5.454 -6.460 -5.217 136 H ARG 24 H ARG 24 -1.504 -6.758 -3.279 137 HA ARG 24 HA ARG 24 -0.972 -8.738 -1.213 138 HB2 ARG 24 1HB ARG 24 0.685 -7.294 -3.242 139 HB3 ARG 24 2HB ARG 24 1.473 -7.989 -1.831 140 HG2 ARG 24 1HG ARG 24 1.134 -10.122 -2.518 141 HG3 ARG 24 2HG ARG 24 -0.383 -9.736 -3.333 142 HD2 ARG 24 1HD ARG 24 1.000 -8.510 -5.054 143 HD3 ARG 24 2HD ARG 24 2.422 -9.233 -4.302 144 HE ARG 24 HE ARG 24 0.583 -10.511 -6.066 145 HH11 ARG 24 1HH1 ARG 24 2.696 -11.053 -3.352 146 HH12 ARG 24 2HH1 ARG 24 2.943 -12.729 -3.712 147 HH21 ARG 24 1HH2 ARG 24 0.900 -12.717 -6.550 148 HH22 ARG 24 2HH2 ARG 24 1.921 -13.675 -5.532 149 H ILE 25 H ILE 25 0.554 -8.247 0.535 150 HA ILE 25 HA ILE 25 -0.105 -5.692 1.752 151 HB ILE 25 HB ILE 25 -0.286 -7.704 3.122 152 HG12 ILE 25 1HG1 ILE 25 1.192 -6.952 5.027 153 HG13 ILE 25 2HG1 ILE 25 1.907 -5.784 3.922 154 HG21 ILE 25 1HG2 ILE 25 1.676 -8.985 3.771 155 HG22 ILE 25 2HG2 ILE 25 1.467 -9.017 2.021 156 HG23 ILE 25 3HG2 ILE 25 2.694 -7.976 2.744 157 HD11 ILE 25 3HD1 ILE 25 -0.960 -5.595 3.881 158 HD12 ILE 25 1HD1 ILE 25 -0.339 -5.441 5.524 159 HD13 ILE 25 2HD1 ILE 25 0.246 -4.364 4.255 160 H PHE 26 H PHE 26 2.787 -7.505 0.787 161 HA PHE 26 HA PHE 26 4.671 -5.595 1.647 162 HB2 PHE 26 1HB PHE 26 6.271 -6.914 0.615 163 HB3 PHE 26 2HB PHE 26 4.973 -8.078 0.862 164 HD1 PHE 26 HD2 PHE 26 6.403 -5.761 -1.663 165 HD2 PHE 26 HD1 PHE 26 4.106 -9.269 -0.932 166 HE1 PHE 26 HE2 PHE 26 6.392 -6.252 -4.074 167 HE2 PHE 26 HE1 PHE 26 4.092 -9.767 -3.342 168 HZ PHE 26 HZ PHE 26 5.235 -8.257 -4.916 169 H HIS 27 H HIS 27 3.058 -6.094 -1.464 170 HA HIS 27 HA HIS 27 4.424 -4.223 -2.992 171 HB2 HIS 27 1HB HIS 27 1.727 -5.461 -3.101 172 HB3 HIS 27 2HB HIS 27 1.976 -4.012 -4.070 173 HD2 HIS 27 HD2 HIS 27 4.931 -4.630 -5.264 174 HE1 HIS 27 HE1 HIS 27 3.228 -8.286 -6.581 175 HE2 HIS 27 HE2 HIS 27 5.178 -6.706 -6.788 176 H LEU 28 H LEU 28 1.756 -3.776 -0.735 177 HA LEU 28 HA LEU 28 1.242 -1.064 -1.365 178 HB2 LEU 28 1HB LEU 28 -0.475 -2.140 -0.231 179 HB3 LEU 28 2HB LEU 28 0.620 -2.840 0.959 180 HG LEU 28 HG LEU 28 0.915 -0.566 1.932 181 HD11 LEU 28 1HD1 LEU 28 -1.391 0.723 1.036 182 HD12 LEU 28 2HD1 LEU 28 -0.574 0.160 -0.422 183 HD13 LEU 28 3HD1 LEU 28 0.283 1.187 0.728 184 HD21 LEU 28 3HD2 LEU 28 -2.007 -1.067 1.975 185 HD22 LEU 28 1HD2 LEU 28 -0.875 -0.830 3.307 186 HD23 LEU 28 2HD2 LEU 28 -0.947 -2.385 2.477 187 H THR 29 H THR 29 3.277 -2.626 1.076 188 HA THR 29 HA THR 29 4.082 -0.336 2.460 189 HB THR 29 HB THR 29 5.746 -2.815 1.981 190 HG1 THR 29 HG1 THR 29 3.872 -2.248 4.056 191 HG21 THR 29 3HG2 THR 29 5.883 -1.385 4.545 192 HG22 THR 29 1HG2 THR 29 6.524 -0.494 3.166 193 HG23 THR 29 2HG2 THR 29 7.173 -2.084 3.567 194 H ARG 30 H ARG 30 5.606 -1.973 -0.306 195 HA ARG 30 HA ARG 30 7.786 -0.198 -0.536 196 HB2 ARG 30 1HB ARG 30 8.174 -1.202 -2.693 197 HB3 ARG 30 2HB ARG 30 7.683 -2.460 -1.566 198 HG2 ARG 30 1HG ARG 30 5.542 -2.631 -2.526 199 HG3 ARG 30 2HG ARG 30 5.740 -1.123 -3.421 200 HD2 ARG 30 1HD ARG 30 7.799 -2.445 -4.446 201 HD3 ARG 30 2HD ARG 30 6.813 -3.834 -3.990 202 HE ARG 30 HE ARG 30 5.052 -2.315 -5.323 203 HH11 ARG 30 1HH1 ARG 30 8.294 -3.330 -6.087 204 HH12 ARG 30 2HH1 ARG 30 8.027 -3.337 -7.799 205 HH21 ARG 30 1HH2 ARG 30 4.689 -2.321 -7.574 206 HH22 ARG 30 2HH2 ARG 30 5.977 -2.762 -8.644 207 H HIS 31 H HIS 31 4.520 -0.135 -1.806 208 HA HIS 31 HA HIS 31 4.855 1.875 -3.740 209 HB2 HIS 31 1HB HIS 31 2.821 0.827 -3.970 210 HB3 HIS 31 2HB HIS 31 2.543 0.748 -2.233 211 HD1 HIS 31 HD1 HIS 31 2.449 3.261 -5.067 212 HD2 HIS 31 HD2 HIS 31 0.904 2.695 -1.252 213 HE1 HIS 31 HE1 HIS 31 0.790 5.121 -4.731 214 H GLN 32 H GLN 32 3.420 2.207 -0.487 215 HA GLN 32 HA GLN 32 3.086 4.854 -0.258 216 HB2 GLN 32 1HB GLN 32 4.404 3.110 1.830 217 HB3 GLN 32 2HB GLN 32 3.670 4.678 2.139 218 HG2 GLN 32 1HG GLN 32 1.522 3.688 1.223 219 HG3 GLN 32 2HG GLN 32 2.324 2.121 1.334 220 HE21 GLN 32 1HE2 GLN 32 -0.018 3.229 2.750 221 HE22 GLN 32 2HE2 GLN 32 0.342 3.065 4.432 222 H LYS 33 H LYS 33 6.156 3.238 -0.488 223 HA LYS 33 HA LYS 33 7.948 5.049 0.499 224 HB2 LYS 33 1HB LYS 33 8.196 3.513 -2.094 225 HB3 LYS 33 2HB LYS 33 9.532 4.245 -1.214 226 HG2 LYS 33 1HG LYS 33 7.803 2.314 0.232 227 HG3 LYS 33 2HG LYS 33 8.934 1.688 -0.970 228 HD2 LYS 33 1HD LYS 33 10.726 3.031 0.208 229 HD3 LYS 33 2HD LYS 33 9.552 3.300 1.498 230 HE2 LYS 33 1HE LYS 33 9.537 1.076 2.125 231 HE3 LYS 33 2HE LYS 33 10.099 0.521 0.549 232 HZ1 LYS 33 3HZ LYS 33 11.669 0.667 2.675 233 HZ2 LYS 33 1HZ LYS 33 11.927 2.217 2.047 234 HZ3 LYS 33 2HZ LYS 33 12.246 0.855 1.096 235 H ILE 34 H ILE 34 6.554 5.086 -2.778 236 HA ILE 34 HA ILE 34 7.774 7.230 -3.899 237 HB ILE 34 HB ILE 34 5.766 7.667 -5.189 238 HG12 ILE 34 1HG1 ILE 34 4.195 5.665 -3.626 239 HG13 ILE 34 2HG1 ILE 34 4.328 7.302 -2.992 240 HG21 ILE 34 1HG2 ILE 34 5.206 5.053 -5.567 241 HG22 ILE 34 2HG2 ILE 34 6.640 5.857 -6.201 242 HG23 ILE 34 3HG2 ILE 34 6.737 4.934 -4.702 243 HD11 ILE 34 3HD1 ILE 34 2.345 6.615 -4.544 244 HD12 ILE 34 1HD1 ILE 34 3.094 8.204 -4.690 245 HD13 ILE 34 2HD1 ILE 34 3.516 6.922 -5.826 246 H HIS 35 H HIS 35 5.556 7.280 -1.231 247 HA HIS 35 HA HIS 35 4.992 10.089 -1.362 248 HB2 HIS 35 1HB HIS 35 4.654 8.189 0.968 249 HB3 HIS 35 2HB HIS 35 3.909 9.776 0.797 250 HD1 HIS 35 HD1 HIS 35 2.870 9.533 -2.095 251 HD2 HIS 35 HD2 HIS 35 2.468 6.574 0.794 252 HE1 HIS 35 HE1 HIS 35 0.909 8.139 -2.829 253 H THR 36 H THR 36 6.863 8.107 0.942 254 HA THR 36 HA THR 36 8.108 10.416 2.105 255 HB THR 36 HB THR 36 7.678 8.396 3.444 256 HG1 THR 36 HG1 THR 36 9.296 9.214 4.526 257 HG21 THR 36 3HG2 THR 36 9.985 6.919 2.400 258 HG22 THR 36 1HG2 THR 36 8.618 7.000 1.291 259 HG23 THR 36 2HG2 THR 36 8.402 6.334 2.909 260 H ARG 37 H ARG 37 10.338 10.936 2.057 261 HA ARG 37 HA ARG 37 11.544 10.508 -0.533 262 HB2 ARG 37 1HB ARG 37 12.127 12.251 1.828 263 HB3 ARG 37 2HB ARG 37 13.393 11.968 0.640 264 HG2 ARG 37 1HG ARG 37 12.479 13.845 -0.241 265 HG3 ARG 37 2HG ARG 37 11.461 12.643 -1.037 266 HD2 ARG 37 1HD ARG 37 10.105 14.445 -0.131 267 HD3 ARG 37 2HD ARG 37 9.767 12.932 0.709 268 HE ARG 37 HE ARG 37 11.592 14.021 2.317 269 HH11 ARG 37 1HH1 ARG 37 8.768 15.395 0.814 270 HH12 ARG 37 2HH1 ARG 37 8.489 16.540 2.084 271 HH21 ARG 37 1HH2 ARG 37 11.234 15.523 3.996 272 HH22 ARG 37 2HH2 ARG 37 9.893 16.612 3.893 273 H LYS 38 H LYS 38 13.675 9.702 -0.866 274 HA LYS 38 HA LYS 38 14.463 7.704 1.146 275 HB2 LYS 38 1HB LYS 38 15.082 7.776 -1.814 276 HB3 LYS 38 2HB LYS 38 15.540 6.497 -0.697 277 HG2 LYS 38 1HG LYS 38 12.694 7.273 -1.288 278 HG3 LYS 38 2HG LYS 38 13.563 5.975 -2.110 279 HD2 LYS 38 1HD LYS 38 13.503 5.973 0.866 280 HD3 LYS 38 2HD LYS 38 12.038 5.504 -0.001 281 HE2 LYS 38 1HE LYS 38 13.050 3.466 0.161 282 HE3 LYS 38 2HE LYS 38 13.751 4.017 -1.360 283 HZ1 LYS 38 3HZ LYS 38 15.746 4.610 -0.278 284 HZ2 LYS 38 1HZ LYS 38 15.353 3.067 0.294 285 HZ3 LYS 38 2HZ LYS 38 15.071 4.424 1.262 286 H SER 39 H SER 39 15.871 9.919 -1.265 287 HA SER 39 HA SER 39 18.325 9.999 0.358 288 HB2 SER 39 1HB SER 39 18.535 9.258 -2.031 289 HB3 SER 39 2HB SER 39 17.995 10.862 -2.523 290 HG SER 39 HG SER 39 19.900 11.345 -0.862 291 H GLY 40 H GLY 40 19.279 11.984 0.880 292 HA2 GLY 40 1HA GLY 40 18.640 14.513 0.087 293 HA3 GLY 40 2HA GLY 40 17.402 14.128 1.273 294 HA PRO 41 HA PRO 41 20.052 15.154 4.605 295 HB2 PRO 41 1HB PRO 41 19.700 13.137 6.388 296 HB3 PRO 41 2HB PRO 41 18.460 14.351 6.054 297 HG2 PRO 41 1HG PRO 41 18.715 11.562 4.996 298 HG3 PRO 41 2HG PRO 41 17.270 12.412 5.573 299 HD2 PRO 41 1HD PRO 41 17.841 12.131 2.941 300 HD3 PRO 41 2HD PRO 41 16.992 13.549 3.588 301 H SER 42 H SER 42 22.103 14.874 5.434 302 HA SER 42 HA SER 42 23.939 13.360 3.995 303 HB2 SER 42 1HB SER 42 24.129 14.568 6.760 304 HB3 SER 42 2HB SER 42 25.500 13.836 5.928 305 HG SER 42 HG SER 42 24.062 16.166 5.275 306 H SER 43 H SER 43 22.648 12.737 7.257 307 HA SER 43 HA SER 43 23.041 9.872 6.804 308 HB2 SER 43 1HB SER 43 24.023 9.598 9.061 309 HB3 SER 43 2HB SER 43 25.042 10.583 8.011 310 HG SER 43 HG SER 43 23.876 12.421 9.040 311 H GLY 44 H GLY 44 21.691 8.522 8.054 312 HA2 GLY 44 1HA GLY 44 19.901 7.997 9.440 313 HA3 GLY 44 2HA GLY 44 19.811 9.687 9.915 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -25.597 5.733 22.712 2 HA2 GLY 1 1HA GLY 1 -27.374 4.665 20.698 3 HA3 GLY 1 2HA GLY 1 -26.655 6.210 20.268 4 H SER 2 H SER 2 -26.362 3.302 19.328 5 HA SER 2 HA SER 2 -23.646 3.473 18.582 6 HB2 SER 2 1HB SER 2 -23.250 2.826 20.921 7 HB3 SER 2 2HB SER 2 -24.269 1.404 20.704 8 HG SER 2 HG SER 2 -21.794 1.338 20.411 9 H SER 3 H SER 3 -23.608 2.559 16.649 10 HA SER 3 HA SER 3 -24.859 -0.024 16.209 11 HB2 SER 3 1HB SER 3 -26.086 0.783 14.194 12 HB3 SER 3 2HB SER 3 -26.704 1.466 15.697 13 HG SER 3 HG SER 3 -25.121 3.252 15.137 14 H GLY 4 H GLY 4 -24.517 -0.618 13.755 15 HA2 GLY 4 1HA GLY 4 -22.861 0.170 11.923 16 HA3 GLY 4 2HA GLY 4 -21.685 -0.047 13.210 17 H SER 5 H SER 5 -23.037 -1.481 10.572 18 HA SER 5 HA SER 5 -22.467 -4.187 11.591 19 HB2 SER 5 1HB SER 5 -23.986 -5.026 9.826 20 HB3 SER 5 2HB SER 5 -24.812 -3.943 10.946 21 HG SER 5 HG SER 5 -25.359 -3.374 8.850 22 H SER 6 H SER 6 -22.256 -2.085 8.741 23 HA SER 6 HA SER 6 -20.716 -3.793 7.141 24 HB2 SER 6 1HB SER 6 -20.979 -0.787 7.206 25 HB3 SER 6 2HB SER 6 -20.000 -1.625 6.002 26 HG SER 6 HG SER 6 -22.320 -1.124 5.509 27 H GLY 7 H GLY 7 -18.958 -4.738 8.041 28 HA2 GLY 7 1HA GLY 7 -16.934 -2.958 9.246 29 HA3 GLY 7 2HA GLY 7 -17.118 -4.661 9.636 30 H THR 8 H THR 8 -16.188 -6.206 8.336 31 HA THR 8 HA THR 8 -14.801 -5.332 5.915 32 HB THR 8 HB THR 8 -12.715 -6.472 6.598 33 HG1 THR 8 HG1 THR 8 -14.227 -6.897 8.936 34 HG21 THR 8 3HG2 THR 8 -12.118 -4.781 8.461 35 HG22 THR 8 1HG2 THR 8 -13.747 -4.157 8.203 36 HG23 THR 8 2HG2 THR 8 -12.584 -4.160 6.877 37 H ASP 9 H ASP 9 -15.503 -6.663 4.387 38 HA ASP 9 HA ASP 9 -16.436 -9.323 5.020 39 HB2 ASP 9 1HB ASP 9 -17.760 -8.249 3.405 40 HB3 ASP 9 2HB ASP 9 -16.358 -7.661 2.516 41 H SER 10 H SER 10 -13.873 -7.922 2.988 42 HA SER 10 HA SER 10 -12.338 -10.393 3.345 43 HB2 SER 10 1HB SER 10 -11.749 -10.494 0.994 44 HB3 SER 10 2HB SER 10 -13.506 -10.502 1.142 45 HG SER 10 HG SER 10 -13.350 -8.165 0.780 46 H LYS 11 H LYS 11 -10.506 -9.819 4.289 47 HA LYS 11 HA LYS 11 -9.474 -7.349 4.712 48 HB2 LYS 11 1HB LYS 11 -7.249 -8.429 4.958 49 HB3 LYS 11 2HB LYS 11 -8.535 -9.296 5.787 50 HG2 LYS 11 1HG LYS 11 -8.523 -11.038 4.246 51 HG3 LYS 11 2HG LYS 11 -7.685 -10.078 3.025 52 HD2 LYS 11 1HD LYS 11 -5.942 -11.360 3.755 53 HD3 LYS 11 2HD LYS 11 -5.806 -10.017 4.892 54 HE2 LYS 11 1HE LYS 11 -6.805 -11.240 6.625 55 HE3 LYS 11 2HE LYS 11 -7.457 -12.445 5.516 56 HZ1 LYS 11 3HZ LYS 11 -4.945 -12.403 6.838 57 HZ2 LYS 11 1HZ LYS 11 -4.728 -12.513 5.164 58 HZ3 LYS 11 2HZ LYS 11 -5.675 -13.659 5.971 59 H SER 12 H SER 12 -8.419 -5.811 3.604 60 HA SER 12 HA SER 12 -7.047 -6.408 1.129 61 HB2 SER 12 1HB SER 12 -8.353 -4.873 -0.249 62 HB3 SER 12 2HB SER 12 -9.400 -6.135 0.400 63 HG SER 12 HG SER 12 -10.215 -4.692 1.871 64 H TYR 13 H TYR 13 -5.357 -5.084 0.851 65 HA TYR 13 HA TYR 13 -4.987 -2.928 2.771 66 HB2 TYR 13 1HB TYR 13 -2.998 -3.840 0.698 67 HB3 TYR 13 2HB TYR 13 -2.683 -2.998 2.212 68 HD1 TYR 13 HD2 TYR 13 -3.101 -4.246 4.386 69 HD2 TYR 13 HD1 TYR 13 -2.984 -6.187 0.602 70 HE1 TYR 13 HE2 TYR 13 -2.717 -6.400 5.510 71 HE2 TYR 13 HE1 TYR 13 -2.601 -8.347 1.715 72 HH TYR 13 HH TYR 13 -1.994 -8.560 5.152 73 H ASN 14 H ASN 14 -5.014 -0.811 2.300 74 HA ASN 14 HA ASN 14 -4.952 0.037 -0.502 75 HB2 ASN 14 1HB ASN 14 -7.146 0.662 1.474 76 HB3 ASN 14 2HB ASN 14 -6.868 1.629 0.029 77 HD21 ASN 14 1HD2 ASN 14 -8.555 1.169 -1.219 78 HD22 ASN 14 2HD2 ASN 14 -9.027 -0.418 -1.714 79 H CYS 15 H CYS 15 -4.130 2.085 -0.845 80 HA CYS 15 HA CYS 15 -2.572 3.167 1.341 81 HB2 CYS 15 1HB CYS 15 -1.692 2.905 -1.006 82 HB3 CYS 15 2HB CYS 15 -2.776 4.204 -1.490 83 H ASN 16 H ASN 16 -3.587 4.445 2.748 84 HA ASN 16 HA ASN 16 -5.896 5.982 2.102 85 HB2 ASN 16 1HB ASN 16 -5.806 6.767 4.374 86 HB3 ASN 16 2HB ASN 16 -5.379 5.058 4.376 87 HD21 ASN 16 1HD2 ASN 16 -4.742 7.473 6.118 88 HD22 ASN 16 2HD2 ASN 16 -3.030 7.383 6.330 89 H GLU 17 H GLU 17 -2.509 6.556 1.928 90 HA GLU 17 HA GLU 17 -2.478 9.364 2.157 91 HB2 GLU 17 1HB GLU 17 -0.379 8.354 2.315 92 HB3 GLU 17 2HB GLU 17 -0.648 7.351 0.897 93 HG2 GLU 17 1HG GLU 17 0.933 8.962 0.258 94 HG3 GLU 17 2HG GLU 17 -0.592 9.473 -0.464 95 H CYS 18 H CYS 18 -2.169 7.429 -0.826 96 HA CYS 18 HA CYS 18 -3.123 9.710 -2.374 97 HB2 CYS 18 1HB CYS 18 -2.428 8.421 -4.334 98 HB3 CYS 18 2HB CYS 18 -1.123 8.513 -3.156 99 H GLY 19 H GLY 19 -3.940 6.291 -1.841 100 HA2 GLY 19 1HA GLY 19 -6.313 5.766 -1.507 101 HA3 GLY 19 2HA GLY 19 -6.668 6.917 -2.787 102 H LYS 20 H LYS 20 -4.671 4.003 -2.299 103 HA LYS 20 HA LYS 20 -5.718 2.989 -4.857 104 HB2 LYS 20 1HB LYS 20 -2.893 3.179 -3.900 105 HB3 LYS 20 2HB LYS 20 -3.351 1.815 -4.911 106 HG2 LYS 20 1HG LYS 20 -3.825 3.167 -6.739 107 HG3 LYS 20 2HG LYS 20 -3.981 4.618 -5.747 108 HD2 LYS 20 1HD LYS 20 -1.572 4.556 -5.293 109 HD3 LYS 20 2HD LYS 20 -1.422 3.111 -6.296 110 HE2 LYS 20 1HE LYS 20 -0.761 4.979 -7.621 111 HE3 LYS 20 2HE LYS 20 -2.338 4.446 -8.204 112 HZ1 LYS 20 3HZ LYS 20 -3.115 6.251 -6.455 113 HZ2 LYS 20 1HZ LYS 20 -2.735 6.655 -8.053 114 HZ3 LYS 20 2HZ LYS 20 -1.601 6.909 -6.825 115 H ALA 21 H ALA 21 -5.520 0.606 -5.069 116 HA ALA 21 HA ALA 21 -5.780 -0.716 -2.446 117 HB1 ALA 21 3HB ALA 21 -7.190 -2.249 -4.312 118 HB2 ALA 21 1HB ALA 21 -7.857 -1.246 -3.024 119 HB3 ALA 21 2HB ALA 21 -7.633 -0.573 -4.639 120 H PHE 22 H PHE 22 -4.335 -2.255 -2.074 121 HA PHE 22 HA PHE 22 -2.983 -3.497 -4.377 122 HB2 PHE 22 1HB PHE 22 -1.951 -3.132 -1.556 123 HB3 PHE 22 2HB PHE 22 -1.068 -3.874 -2.886 124 HD1 PHE 22 HD1 PHE 22 -2.955 -0.709 -2.268 125 HD2 PHE 22 HD2 PHE 22 0.532 -2.562 -3.856 126 HE1 PHE 22 HE1 PHE 22 -2.079 1.498 -2.910 127 HE2 PHE 22 HE2 PHE 22 1.414 -0.358 -4.500 128 HZ PHE 22 HZ PHE 22 0.109 1.676 -4.026 129 H THR 23 H THR 23 -2.473 -5.732 -4.267 130 HA THR 23 HA THR 23 -4.514 -7.285 -2.947 131 HB THR 23 HB THR 23 -2.186 -8.297 -4.588 132 HG1 THR 23 HG1 THR 23 -3.543 -6.791 -5.740 133 HG21 THR 23 3HG2 THR 23 -4.529 -9.534 -3.317 134 HG22 THR 23 1HG2 THR 23 -2.997 -10.252 -3.813 135 HG23 THR 23 2HG2 THR 23 -4.274 -9.991 -5.001 136 H ARG 24 H ARG 24 -0.984 -6.991 -2.770 137 HA ARG 24 HA ARG 24 -0.961 -8.757 -0.433 138 HB2 ARG 24 1HB ARG 24 1.315 -7.619 -2.067 139 HB3 ARG 24 2HB ARG 24 1.502 -8.707 -0.697 140 HG2 ARG 24 1HG ARG 24 -0.167 -9.498 -3.048 141 HG3 ARG 24 2HG ARG 24 1.589 -9.667 -3.086 142 HD2 ARG 24 1HD ARG 24 1.472 -11.018 -1.026 143 HD3 ARG 24 2HD ARG 24 -0.286 -10.891 -1.065 144 HE ARG 24 HE ARG 24 1.383 -12.554 -2.745 145 HH11 ARG 24 1HH1 ARG 24 -1.749 -11.115 -2.257 146 HH12 ARG 24 2HH1 ARG 24 -2.575 -12.254 -3.267 147 HH21 ARG 24 1HH2 ARG 24 0.308 -14.060 -4.078 148 HH22 ARG 24 2HH2 ARG 24 -1.404 -13.930 -4.302 149 H ILE 25 H ILE 25 0.808 -8.034 1.234 150 HA ILE 25 HA ILE 25 0.005 -5.375 2.127 151 HB ILE 25 HB ILE 25 -0.183 -7.168 3.755 152 HG12 ILE 25 1HG1 ILE 25 1.329 -6.188 5.551 153 HG13 ILE 25 2HG1 ILE 25 1.991 -5.143 4.298 154 HG21 ILE 25 1HG2 ILE 25 2.197 -8.080 2.625 155 HG22 ILE 25 2HG2 ILE 25 2.614 -7.626 4.276 156 HG23 ILE 25 3HG2 ILE 25 1.321 -8.789 3.982 157 HD11 ILE 25 3HD1 ILE 25 0.378 -3.847 5.362 158 HD12 ILE 25 1HD1 ILE 25 -0.417 -4.409 3.892 159 HD13 ILE 25 2HD1 ILE 25 -0.775 -5.178 5.439 160 H PHE 26 H PHE 26 2.795 -7.101 0.968 161 HA PHE 26 HA PHE 26 4.675 -5.065 1.765 162 HB2 PHE 26 1HB PHE 26 6.226 -6.439 0.239 163 HB3 PHE 26 2HB PHE 26 5.615 -7.218 1.695 164 HD1 PHE 26 HD2 PHE 26 5.450 -7.107 -1.956 165 HD2 PHE 26 HD1 PHE 26 4.021 -9.022 1.567 166 HE1 PHE 26 HE2 PHE 26 4.556 -8.947 -3.323 167 HE2 PHE 26 HE1 PHE 26 3.125 -10.866 0.205 168 HZ PHE 26 HZ PHE 26 3.391 -10.829 -2.243 169 H HIS 27 H HIS 27 2.868 -5.933 -1.105 170 HA HIS 27 HA HIS 27 4.269 -4.336 -2.959 171 HB2 HIS 27 1HB HIS 27 1.519 -5.530 -2.878 172 HB3 HIS 27 2HB HIS 27 1.948 -4.403 -4.162 173 HD2 HIS 27 HD2 HIS 27 4.940 -5.538 -4.851 174 HE1 HIS 27 HE1 HIS 27 2.949 -9.237 -5.443 175 HE2 HIS 27 HE2 HIS 27 5.075 -7.938 -5.807 176 H LEU 28 H LEU 28 2.250 -3.499 -0.371 177 HA LEU 28 HA LEU 28 1.390 -0.971 -1.517 178 HB2 LEU 28 1HB LEU 28 -0.268 -1.858 -0.174 179 HB3 LEU 28 2HB LEU 28 0.878 -2.431 1.036 180 HG LEU 28 HG LEU 28 1.218 -0.098 1.772 181 HD11 LEU 28 1HD1 LEU 28 0.670 1.528 0.360 182 HD12 LEU 28 2HD1 LEU 28 -1.014 1.217 0.782 183 HD13 LEU 28 3HD1 LEU 28 -0.300 0.437 -0.630 184 HD21 LEU 28 3HD2 LEU 28 -1.365 -1.525 1.906 185 HD22 LEU 28 1HD2 LEU 28 -1.363 0.155 2.443 186 HD23 LEU 28 2HD2 LEU 28 -0.279 -1.013 3.199 187 H THR 29 H THR 29 3.357 -2.045 1.252 188 HA THR 29 HA THR 29 4.233 0.437 2.121 189 HB THR 29 HB THR 29 4.635 -1.951 3.112 190 HG1 THR 29 HG1 THR 29 6.601 -0.989 4.167 191 HG21 THR 29 3HG2 THR 29 6.946 -2.736 2.763 192 HG22 THR 29 1HG2 THR 29 7.159 -1.513 1.511 193 HG23 THR 29 2HG2 THR 29 5.989 -2.813 1.284 194 H ARG 30 H ARG 30 5.637 -1.686 -0.348 195 HA ARG 30 HA ARG 30 7.922 -0.136 -0.879 196 HB2 ARG 30 1HB ARG 30 8.189 -1.455 -2.848 197 HB3 ARG 30 2HB ARG 30 7.520 -2.510 -1.611 198 HG2 ARG 30 1HG ARG 30 5.506 -2.710 -2.670 199 HG3 ARG 30 2HG ARG 30 5.645 -1.142 -3.466 200 HD2 ARG 30 1HD ARG 30 5.846 -3.016 -5.047 201 HD3 ARG 30 2HD ARG 30 7.304 -2.027 -4.990 202 HE ARG 30 HE ARG 30 7.829 -4.001 -3.218 203 HH11 ARG 30 1HH1 ARG 30 6.752 -3.982 -6.529 204 HH12 ARG 30 2HH1 ARG 30 7.507 -5.491 -6.920 205 HH21 ARG 30 1HH2 ARG 30 8.828 -5.989 -3.721 206 HH22 ARG 30 2HH2 ARG 30 8.686 -6.632 -5.322 207 H HIS 31 H HIS 31 4.619 0.312 -1.703 208 HA HIS 31 HA HIS 31 5.144 2.071 -3.939 209 HB2 HIS 31 1HB HIS 31 3.127 1.021 -4.288 210 HB3 HIS 31 2HB HIS 31 2.712 1.011 -2.577 211 HD1 HIS 31 HD1 HIS 31 2.820 3.376 -5.530 212 HD2 HIS 31 HD2 HIS 31 1.061 3.041 -1.780 213 HE1 HIS 31 HE1 HIS 31 1.166 5.265 -5.392 214 H GLN 32 H GLN 32 3.652 2.461 -0.721 215 HA GLN 32 HA GLN 32 3.221 5.117 -0.600 216 HB2 GLN 32 1HB GLN 32 4.345 3.270 1.489 217 HB3 GLN 32 2HB GLN 32 4.011 4.958 1.849 218 HG2 GLN 32 1HG GLN 32 1.684 4.664 1.352 219 HG3 GLN 32 2HG GLN 32 1.971 3.017 0.793 220 HE21 GLN 32 1HE2 GLN 32 0.158 3.839 2.837 221 HE22 GLN 32 2HE2 GLN 32 0.665 3.086 4.307 222 H LYS 33 H LYS 33 6.310 3.577 -0.814 223 HA LYS 33 HA LYS 33 8.052 5.443 0.197 224 HB2 LYS 33 1HB LYS 33 8.288 3.699 -2.253 225 HB3 LYS 33 2HB LYS 33 9.622 4.674 -1.650 226 HG2 LYS 33 1HG LYS 33 9.204 3.453 0.585 227 HG3 LYS 33 2HG LYS 33 8.313 2.293 -0.404 228 HD2 LYS 33 1HD LYS 33 11.131 3.137 -1.035 229 HD3 LYS 33 2HD LYS 33 10.760 1.774 0.023 230 HE2 LYS 33 1HE LYS 33 9.434 0.775 -1.823 231 HE3 LYS 33 2HE LYS 33 9.961 2.094 -2.868 232 HZ1 LYS 33 3HZ LYS 33 11.660 0.015 -1.609 233 HZ2 LYS 33 1HZ LYS 33 12.281 1.380 -2.392 234 HZ3 LYS 33 2HZ LYS 33 11.374 0.246 -3.260 235 H ILE 34 H ILE 34 6.736 5.360 -3.113 236 HA ILE 34 HA ILE 34 7.941 7.550 -4.209 237 HB ILE 34 HB ILE 34 6.047 7.807 -5.677 238 HG12 ILE 34 1HG1 ILE 34 4.411 5.827 -4.157 239 HG13 ILE 34 2HG1 ILE 34 4.443 7.491 -3.585 240 HG21 ILE 34 1HG2 ILE 34 5.605 5.131 -5.913 241 HG22 ILE 34 2HG2 ILE 34 7.011 5.982 -6.551 242 HG23 ILE 34 3HG2 ILE 34 7.107 5.165 -4.991 243 HD11 ILE 34 3HD1 ILE 34 3.265 8.265 -5.354 244 HD12 ILE 34 1HD1 ILE 34 3.918 7.059 -6.462 245 HD13 ILE 34 2HD1 ILE 34 2.649 6.613 -5.322 246 H HIS 35 H HIS 35 5.573 7.499 -1.686 247 HA HIS 35 HA HIS 35 4.884 10.291 -1.931 248 HB2 HIS 35 1HB HIS 35 4.309 8.351 0.319 249 HB3 HIS 35 2HB HIS 35 3.567 9.934 0.099 250 HD1 HIS 35 HD1 HIS 35 2.905 9.725 -2.919 251 HD2 HIS 35 HD2 HIS 35 2.149 6.744 -0.125 252 HE1 HIS 35 HE1 HIS 35 1.055 8.335 -3.903 253 H THR 36 H THR 36 6.812 11.420 -1.726 254 HA THR 36 HA THR 36 8.017 11.349 0.964 255 HB THR 36 HB THR 36 10.142 12.142 -0.134 256 HG1 THR 36 HG1 THR 36 8.741 12.507 -2.203 257 HG21 THR 36 3HG2 THR 36 9.039 9.417 -0.802 258 HG22 THR 36 1HG2 THR 36 10.036 9.869 0.581 259 HG23 THR 36 2HG2 THR 36 10.728 9.867 -1.041 260 H ARG 37 H ARG 37 6.568 13.206 -1.517 261 HA ARG 37 HA ARG 37 7.120 15.668 0.003 262 HB2 ARG 37 1HB ARG 37 8.222 15.443 -2.318 263 HB3 ARG 37 2HB ARG 37 6.598 15.656 -2.958 264 HG2 ARG 37 1HG ARG 37 7.354 17.808 -3.001 265 HG3 ARG 37 2HG ARG 37 6.600 17.768 -1.406 266 HD2 ARG 37 1HD ARG 37 8.673 18.777 -1.032 267 HD3 ARG 37 2HD ARG 37 8.913 17.101 -0.537 268 HE ARG 37 HE ARG 37 10.484 16.911 -2.174 269 HH11 ARG 37 1HH1 ARG 37 8.390 19.579 -2.958 270 HH12 ARG 37 2HH1 ARG 37 9.309 20.063 -4.345 271 HH21 ARG 37 1HH2 ARG 37 11.702 17.537 -3.998 272 HH22 ARG 37 2HH2 ARG 37 11.192 18.900 -4.936 273 H LYS 38 H LYS 38 5.414 17.009 0.411 274 HA LYS 38 HA LYS 38 2.766 16.031 -0.436 275 HB2 LYS 38 1HB LYS 38 1.879 17.030 1.622 276 HB3 LYS 38 2HB LYS 38 3.119 15.833 1.972 277 HG2 LYS 38 1HG LYS 38 4.672 17.979 1.944 278 HG3 LYS 38 2HG LYS 38 3.150 18.772 2.357 279 HD2 LYS 38 1HD LYS 38 2.988 16.801 4.100 280 HD3 LYS 38 2HD LYS 38 4.742 16.780 3.900 281 HE2 LYS 38 1HE LYS 38 4.472 18.251 5.661 282 HE3 LYS 38 2HE LYS 38 4.554 19.342 4.280 283 HZ1 LYS 38 3HZ LYS 38 2.044 18.390 5.551 284 HZ2 LYS 38 1HZ LYS 38 2.160 19.494 4.274 285 HZ3 LYS 38 2HZ LYS 38 2.748 19.907 5.805 286 H SER 39 H SER 39 4.636 18.956 0.304 287 HA SER 39 HA SER 39 3.371 20.373 -1.855 288 HB2 SER 39 1HB SER 39 1.703 20.632 -0.032 289 HB3 SER 39 2HB SER 39 2.947 21.381 0.969 290 HG SER 39 HG SER 39 3.134 22.852 -0.991 291 H GLY 40 H GLY 40 4.595 22.070 -2.576 292 HA2 GLY 40 1HA GLY 40 6.524 23.280 -2.886 293 HA3 GLY 40 2HA GLY 40 6.407 23.606 -1.163 294 HA PRO 41 HA PRO 41 10.350 21.284 -2.000 295 HB2 PRO 41 1HB PRO 41 11.941 22.993 -0.615 296 HB3 PRO 41 2HB PRO 41 11.541 23.222 -2.322 297 HG2 PRO 41 1HG PRO 41 10.339 24.517 0.095 298 HG3 PRO 41 2HG PRO 41 10.795 25.247 -1.455 299 HD2 PRO 41 1HD PRO 41 8.237 24.600 -0.845 300 HD3 PRO 41 2HD PRO 41 8.870 24.529 -2.502 301 H SER 42 H SER 42 11.055 19.732 -0.654 302 HA SER 42 HA SER 42 9.884 18.937 1.626 303 HB2 SER 42 1HB SER 42 12.853 18.750 1.061 304 HB3 SER 42 2HB SER 42 11.978 17.767 2.234 305 HG SER 42 HG SER 42 11.087 17.837 -0.423 306 H SER 43 H SER 43 9.366 20.090 3.363 307 HA SER 43 HA SER 43 11.502 21.528 4.767 308 HB2 SER 43 1HB SER 43 10.094 23.127 3.400 309 HB3 SER 43 2HB SER 43 8.730 22.685 4.427 310 HG SER 43 HG SER 43 9.469 24.201 5.678 311 H GLY 44 H GLY 44 11.683 20.419 6.608 312 HA2 GLY 44 1HA GLY 44 10.195 20.491 8.784 313 HA3 GLY 44 2HA GLY 44 9.296 19.292 7.866 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -22.495 -24.728 15.029 2 HA2 GLY 1 1HA GLY 1 -22.248 -24.545 12.650 3 HA3 GLY 1 2HA GLY 1 -23.704 -25.494 12.910 4 H SER 2 H SER 2 -25.766 -24.341 12.915 5 HA SER 2 HA SER 2 -25.951 -22.572 10.703 6 HB2 SER 2 1HB SER 2 -27.945 -23.548 12.743 7 HB3 SER 2 2HB SER 2 -28.389 -22.387 11.491 8 HG SER 2 HG SER 2 -28.076 -25.060 11.305 9 H SER 3 H SER 3 -25.293 -20.530 10.783 10 HA SER 3 HA SER 3 -25.700 -18.997 13.256 11 HB2 SER 3 1HB SER 3 -23.732 -18.814 11.008 12 HB3 SER 3 2HB SER 3 -24.122 -17.356 11.920 13 HG SER 3 HG SER 3 -22.546 -18.171 13.115 14 H GLY 4 H GLY 4 -26.057 -18.738 9.726 15 HA2 GLY 4 1HA GLY 4 -28.372 -17.892 9.120 16 HA3 GLY 4 2HA GLY 4 -27.978 -16.541 10.173 17 H SER 5 H SER 5 -26.082 -15.228 9.568 18 HA SER 5 HA SER 5 -26.170 -14.652 6.743 19 HB2 SER 5 1HB SER 5 -26.066 -12.950 8.693 20 HB3 SER 5 2HB SER 5 -24.338 -13.301 8.713 21 HG SER 5 HG SER 5 -25.871 -12.248 6.574 22 H SER 6 H SER 6 -24.020 -14.093 5.645 23 HA SER 6 HA SER 6 -22.347 -16.464 5.799 24 HB2 SER 6 1HB SER 6 -23.099 -15.719 3.595 25 HB3 SER 6 2HB SER 6 -22.335 -14.149 3.845 26 HG SER 6 HG SER 6 -21.024 -15.561 2.606 27 H GLY 7 H GLY 7 -21.982 -12.940 6.037 28 HA2 GLY 7 1HA GLY 7 -20.397 -11.665 7.105 29 HA3 GLY 7 2HA GLY 7 -19.946 -13.113 7.993 30 H THR 8 H THR 8 -18.987 -10.871 5.677 31 HA THR 8 HA THR 8 -16.665 -12.542 4.986 32 HB THR 8 HB THR 8 -16.608 -11.430 2.752 33 HG1 THR 8 HG1 THR 8 -19.197 -10.531 3.543 34 HG21 THR 8 3HG2 THR 8 -17.849 -13.083 1.823 35 HG22 THR 8 1HG2 THR 8 -19.269 -12.712 2.799 36 HG23 THR 8 2HG2 THR 8 -17.946 -13.651 3.489 37 H ASP 9 H ASP 9 -14.694 -11.529 4.962 38 HA ASP 9 HA ASP 9 -14.680 -8.703 5.801 39 HB2 ASP 9 1HB ASP 9 -12.515 -9.232 6.934 40 HB3 ASP 9 2HB ASP 9 -13.899 -10.084 7.614 41 H SER 10 H SER 10 -13.150 -7.322 4.909 42 HA SER 10 HA SER 10 -11.648 -8.390 2.610 43 HB2 SER 10 1HB SER 10 -13.778 -6.927 2.162 44 HB3 SER 10 2HB SER 10 -12.716 -5.588 2.596 45 HG SER 10 HG SER 10 -12.413 -5.798 0.461 46 H LYS 11 H LYS 11 -9.739 -8.515 3.806 47 HA LYS 11 HA LYS 11 -8.715 -6.221 5.210 48 HB2 LYS 11 1HB LYS 11 -6.990 -7.593 5.925 49 HB3 LYS 11 2HB LYS 11 -8.291 -8.750 5.678 50 HG2 LYS 11 1HG LYS 11 -7.361 -9.478 3.614 51 HG3 LYS 11 2HG LYS 11 -6.183 -8.163 3.615 52 HD2 LYS 11 1HD LYS 11 -4.985 -10.063 4.314 53 HD3 LYS 11 2HD LYS 11 -5.315 -9.160 5.794 54 HE2 LYS 11 1HE LYS 11 -5.889 -11.285 6.445 55 HE3 LYS 11 2HE LYS 11 -7.446 -10.679 5.882 56 HZ1 LYS 11 3HZ LYS 11 -5.956 -11.854 3.760 57 HZ2 LYS 11 1HZ LYS 11 -7.514 -12.220 4.307 58 HZ3 LYS 11 2HZ LYS 11 -6.171 -12.951 5.029 59 H SER 12 H SER 12 -9.104 -6.676 2.060 60 HA SER 12 HA SER 12 -6.826 -6.439 0.646 61 HB2 SER 12 1HB SER 12 -8.039 -4.878 -0.887 62 HB3 SER 12 2HB SER 12 -8.982 -6.301 -0.444 63 HG SER 12 HG SER 12 -10.378 -4.698 -0.093 64 H TYR 13 H TYR 13 -5.038 -5.446 1.375 65 HA TYR 13 HA TYR 13 -4.973 -3.066 2.867 66 HB2 TYR 13 1HB TYR 13 -2.695 -3.965 1.121 67 HB3 TYR 13 2HB TYR 13 -2.632 -3.175 2.693 68 HD1 TYR 13 HD2 TYR 13 -3.305 -4.489 4.738 69 HD2 TYR 13 HD1 TYR 13 -2.712 -6.318 0.943 70 HE1 TYR 13 HE2 TYR 13 -3.080 -6.679 5.835 71 HE2 TYR 13 HE1 TYR 13 -2.487 -8.513 2.029 72 HH TYR 13 HH TYR 13 -1.857 -8.960 5.158 73 H ASN 14 H ASN 14 -5.512 -1.099 2.222 74 HA ASN 14 HA ASN 14 -4.892 -0.306 -0.548 75 HB2 ASN 14 1HB ASN 14 -7.257 0.603 1.108 76 HB3 ASN 14 2HB ASN 14 -6.895 1.097 -0.543 77 HD21 ASN 14 1HD2 ASN 14 -9.251 0.211 -0.459 78 HD22 ASN 14 2HD2 ASN 14 -9.417 -1.435 -0.956 79 H CYS 15 H CYS 15 -3.942 1.656 -0.861 80 HA CYS 15 HA CYS 15 -2.636 2.861 1.373 81 HB2 CYS 15 1HB CYS 15 -1.495 2.783 -0.752 82 HB3 CYS 15 2HB CYS 15 -2.803 3.664 -1.536 83 H ASN 16 H ASN 16 -2.923 4.904 2.257 84 HA ASN 16 HA ASN 16 -5.602 6.031 1.857 85 HB2 ASN 16 1HB ASN 16 -3.713 6.685 4.116 86 HB3 ASN 16 2HB ASN 16 -5.456 6.926 4.052 87 HD21 ASN 16 1HD2 ASN 16 -6.829 5.168 4.337 88 HD22 ASN 16 2HD2 ASN 16 -6.280 3.682 5.028 89 H GLU 17 H GLU 17 -2.194 6.805 1.731 90 HA GLU 17 HA GLU 17 -2.212 9.556 1.673 91 HB2 GLU 17 1HB GLU 17 -0.502 7.480 0.384 92 HB3 GLU 17 2HB GLU 17 -0.299 9.152 -0.118 93 HG2 GLU 17 1HG GLU 17 1.285 8.770 1.578 94 HG3 GLU 17 2HG GLU 17 0.001 9.732 2.309 95 H CYS 18 H CYS 18 -2.338 7.467 -1.219 96 HA CYS 18 HA CYS 18 -3.502 9.703 -2.714 97 HB2 CYS 18 1HB CYS 18 -3.021 8.272 -4.716 98 HB3 CYS 18 2HB CYS 18 -1.592 8.725 -3.793 99 H GLY 19 H GLY 19 -4.046 6.246 -2.074 100 HA2 GLY 19 1HA GLY 19 -6.345 5.609 -1.465 101 HA3 GLY 19 2HA GLY 19 -6.892 6.694 -2.734 102 H LYS 20 H LYS 20 -4.458 4.093 -2.569 103 HA LYS 20 HA LYS 20 -5.660 2.960 -5.005 104 HB2 LYS 20 1HB LYS 20 -2.854 2.996 -3.945 105 HB3 LYS 20 2HB LYS 20 -3.356 1.736 -5.064 106 HG2 LYS 20 1HG LYS 20 -4.090 3.567 -6.626 107 HG3 LYS 20 2HG LYS 20 -3.283 4.702 -5.541 108 HD2 LYS 20 1HD LYS 20 -1.168 3.550 -5.876 109 HD3 LYS 20 2HD LYS 20 -1.962 2.352 -6.902 110 HE2 LYS 20 1HE LYS 20 -0.877 3.931 -8.327 111 HE3 LYS 20 2HE LYS 20 -2.613 4.213 -8.435 112 HZ1 LYS 20 3HZ LYS 20 -0.840 5.763 -6.636 113 HZ2 LYS 20 1HZ LYS 20 -2.437 6.114 -7.073 114 HZ3 LYS 20 2HZ LYS 20 -1.198 6.249 -8.217 115 H ALA 21 H ALA 21 -5.242 0.510 -5.177 116 HA ALA 21 HA ALA 21 -5.665 -0.780 -2.566 117 HB1 ALA 21 3HB ALA 21 -7.799 -0.412 -3.897 118 HB2 ALA 21 1HB ALA 21 -7.170 -1.607 -5.032 119 HB3 ALA 21 2HB ALA 21 -7.474 -2.059 -3.354 120 H PHE 22 H PHE 22 -4.371 -2.462 -2.217 121 HA PHE 22 HA PHE 22 -3.143 -3.791 -4.542 122 HB2 PHE 22 1HB PHE 22 -1.801 -3.333 -1.872 123 HB3 PHE 22 2HB PHE 22 -1.072 -4.014 -3.322 124 HD1 PHE 22 HD2 PHE 22 -0.842 -2.525 -5.358 125 HD2 PHE 22 HD1 PHE 22 -1.778 -1.034 -1.483 126 HE1 PHE 22 HE2 PHE 22 -0.124 -0.277 -6.054 127 HE2 PHE 22 HE1 PHE 22 -1.063 1.217 -2.173 128 HZ PHE 22 HZ PHE 22 -0.233 1.597 -4.460 129 H THR 23 H THR 23 -2.981 -5.995 -4.494 130 HA THR 23 HA THR 23 -4.701 -7.363 -2.628 131 HB THR 23 HB THR 23 -4.889 -8.204 -4.807 132 HG1 THR 23 HG1 THR 23 -4.802 -9.984 -3.522 133 HG21 THR 23 3HG2 THR 23 -2.645 -9.156 -5.864 134 HG22 THR 23 1HG2 THR 23 -1.933 -7.889 -4.867 135 HG23 THR 23 2HG2 THR 23 -3.139 -7.478 -6.087 136 H ARG 24 H ARG 24 -1.270 -6.967 -3.137 137 HA ARG 24 HA ARG 24 -0.620 -9.031 -1.188 138 HB2 ARG 24 1HB ARG 24 0.920 -7.404 -3.154 139 HB3 ARG 24 2HB ARG 24 1.771 -8.010 -1.739 140 HG2 ARG 24 1HG ARG 24 2.104 -9.595 -3.450 141 HG3 ARG 24 2HG ARG 24 0.920 -10.300 -2.347 142 HD2 ARG 24 1HD ARG 24 -0.079 -8.714 -4.654 143 HD3 ARG 24 2HD ARG 24 0.577 -10.319 -4.974 144 HE ARG 24 HE ARG 24 -1.912 -9.694 -3.700 145 HH11 ARG 24 1HH1 ARG 24 0.635 -12.053 -3.955 146 HH12 ARG 24 2HH1 ARG 24 -0.368 -13.380 -3.469 147 HH21 ARG 24 1HH2 ARG 24 -3.243 -11.433 -3.059 148 HH22 ARG 24 2HH2 ARG 24 -2.573 -13.026 -2.961 149 H ILE 25 H ILE 25 1.271 -8.318 0.353 150 HA ILE 25 HA ILE 25 0.266 -5.986 1.820 151 HB ILE 25 HB ILE 25 0.357 -8.124 3.045 152 HG12 ILE 25 1HG1 ILE 25 1.779 -7.253 4.982 153 HG13 ILE 25 2HG1 ILE 25 2.174 -5.889 3.941 154 HG21 ILE 25 1HG2 ILE 25 3.338 -7.983 3.071 155 HG22 ILE 25 2HG2 ILE 25 2.275 -9.352 3.390 156 HG23 ILE 25 3HG2 ILE 25 2.512 -8.787 1.736 157 HD11 ILE 25 3HD1 ILE 25 0.209 -4.909 4.302 158 HD12 ILE 25 1HD1 ILE 25 -0.684 -6.419 4.125 159 HD13 ILE 25 2HD1 ILE 25 0.069 -6.014 5.668 160 H PHE 26 H PHE 26 3.232 -7.405 0.531 161 HA PHE 26 HA PHE 26 4.923 -5.292 1.453 162 HB2 PHE 26 1HB PHE 26 6.628 -6.332 -0.008 163 HB3 PHE 26 2HB PHE 26 5.845 -7.507 1.044 164 HD1 PHE 26 HD2 PHE 26 6.200 -6.320 -2.402 165 HD2 PHE 26 HD1 PHE 26 4.438 -9.235 0.150 166 HE1 PHE 26 HE2 PHE 26 5.637 -7.692 -4.365 167 HE2 PHE 26 HE1 PHE 26 3.873 -10.612 -1.809 168 HZ PHE 26 HZ PHE 26 4.471 -9.841 -4.070 169 H HIS 27 H HIS 27 3.229 -6.020 -1.546 170 HA HIS 27 HA HIS 27 4.408 -4.138 -3.223 171 HB2 HIS 27 1HB HIS 27 1.767 -5.515 -3.142 172 HB3 HIS 27 2HB HIS 27 1.940 -4.136 -4.224 173 HD2 HIS 27 HD2 HIS 27 4.491 -4.558 -5.870 174 HE1 HIS 27 HE1 HIS 27 3.555 -8.687 -6.137 175 HE2 HIS 27 HE2 HIS 27 4.989 -6.817 -7.027 176 H LEU 28 H LEU 28 2.072 -3.741 -0.673 177 HA LEU 28 HA LEU 28 1.331 -1.065 -1.443 178 HB2 LEU 28 1HB LEU 28 -0.366 -2.181 -0.319 179 HB3 LEU 28 2HB LEU 28 0.737 -2.849 0.882 180 HG LEU 28 HG LEU 28 0.929 -0.652 1.935 181 HD11 LEU 28 1HD1 LEU 28 -1.322 0.502 0.442 182 HD12 LEU 28 2HD1 LEU 28 0.192 0.383 -0.453 183 HD13 LEU 28 3HD1 LEU 28 0.137 1.265 1.073 184 HD21 LEU 28 3HD2 LEU 28 -1.878 -1.663 1.513 185 HD22 LEU 28 1HD2 LEU 28 -1.429 -0.473 2.734 186 HD23 LEU 28 2HD2 LEU 28 -0.759 -2.103 2.804 187 H THR 29 H THR 29 3.459 -2.568 0.939 188 HA THR 29 HA THR 29 4.169 -0.213 2.317 189 HB THR 29 HB THR 29 5.868 -2.689 1.968 190 HG1 THR 29 HG1 THR 29 4.828 -3.292 3.984 191 HG21 THR 29 3HG2 THR 29 6.411 -0.255 3.235 192 HG22 THR 29 1HG2 THR 29 7.299 -1.768 3.411 193 HG23 THR 29 2HG2 THR 29 5.996 -1.374 4.533 194 H ARG 30 H ARG 30 5.541 -1.821 -0.512 195 HA ARG 30 HA ARG 30 7.797 -0.081 -0.717 196 HB2 ARG 30 1HB ARG 30 8.351 -1.254 -2.659 197 HB3 ARG 30 2HB ARG 30 7.502 -2.451 -1.691 198 HG2 ARG 30 1HG ARG 30 5.431 -1.895 -2.986 199 HG3 ARG 30 2HG ARG 30 6.444 -0.915 -4.047 200 HD2 ARG 30 1HD ARG 30 7.269 -3.720 -3.512 201 HD3 ARG 30 2HD ARG 30 5.895 -3.448 -4.583 202 HE ARG 30 HE ARG 30 7.764 -1.782 -5.580 203 HH11 ARG 30 1HH1 ARG 30 7.810 -5.160 -4.736 204 HH12 ARG 30 2HH1 ARG 30 8.989 -5.577 -5.935 205 HH21 ARG 30 1HH2 ARG 30 9.317 -2.320 -7.163 206 HH22 ARG 30 2HH2 ARG 30 9.846 -3.961 -7.314 207 H HIS 31 H HIS 31 4.503 0.202 -1.537 208 HA HIS 31 HA HIS 31 4.885 2.118 -3.666 209 HB2 HIS 31 1HB HIS 31 2.916 0.980 -4.028 210 HB3 HIS 31 2HB HIS 31 2.541 0.865 -2.311 211 HD1 HIS 31 HD1 HIS 31 2.179 3.127 -5.265 212 HD2 HIS 31 HD2 HIS 31 1.100 3.018 -1.255 213 HE1 HIS 31 HE1 HIS 31 0.512 4.986 -4.966 214 H GLN 32 H GLN 32 3.436 2.253 -0.408 215 HA GLN 32 HA GLN 32 2.876 4.866 -0.117 216 HB2 GLN 32 1HB GLN 32 4.257 3.070 1.877 217 HB3 GLN 32 2HB GLN 32 3.610 4.653 2.287 218 HG2 GLN 32 1HG GLN 32 1.421 3.649 1.214 219 HG3 GLN 32 2HG GLN 32 2.191 2.126 1.652 220 HE21 GLN 32 1HE2 GLN 32 2.674 1.736 3.859 221 HE22 GLN 32 2HE2 GLN 32 1.796 2.540 5.111 222 H LYS 33 H LYS 33 6.042 3.514 -0.481 223 HA LYS 33 HA LYS 33 7.691 5.445 0.578 224 HB2 LYS 33 1HB LYS 33 7.961 3.724 -1.876 225 HB3 LYS 33 2HB LYS 33 9.236 4.837 -1.395 226 HG2 LYS 33 1HG LYS 33 9.058 3.644 0.902 227 HG3 LYS 33 2HG LYS 33 8.262 2.370 -0.025 228 HD2 LYS 33 1HD LYS 33 10.270 2.453 -1.579 229 HD3 LYS 33 2HD LYS 33 11.055 3.445 -0.348 230 HE2 LYS 33 1HE LYS 33 9.876 0.733 0.218 231 HE3 LYS 33 2HE LYS 33 11.556 0.973 -0.259 232 HZ1 LYS 33 3HZ LYS 33 12.094 1.643 1.779 233 HZ2 LYS 33 1HZ LYS 33 10.596 1.040 2.284 234 HZ3 LYS 33 2HZ LYS 33 10.762 2.679 1.901 235 H ILE 34 H ILE 34 6.152 5.426 -2.621 236 HA ILE 34 HA ILE 34 7.262 7.693 -3.719 237 HB ILE 34 HB ILE 34 5.300 7.902 -5.104 238 HG12 ILE 34 1HG1 ILE 34 3.824 5.796 -3.589 239 HG13 ILE 34 2HG1 ILE 34 3.798 7.442 -2.963 240 HG21 ILE 34 1HG2 ILE 34 4.972 5.297 -5.547 241 HG22 ILE 34 2HG2 ILE 34 6.447 6.156 -5.990 242 HG23 ILE 34 3HG2 ILE 34 6.388 5.216 -4.499 243 HD11 ILE 34 3HD1 ILE 34 3.237 7.726 -5.660 244 HD12 ILE 34 1HD1 ILE 34 2.351 6.281 -5.171 245 HD13 ILE 34 2HD1 ILE 34 2.090 7.806 -4.323 246 H HIS 35 H HIS 35 5.218 7.468 -0.994 247 HA HIS 35 HA HIS 35 4.419 10.275 -1.144 248 HB2 HIS 35 1HB HIS 35 3.708 8.130 0.867 249 HB3 HIS 35 2HB HIS 35 3.063 9.768 0.860 250 HD1 HIS 35 HD1 HIS 35 2.176 10.210 -1.934 251 HD2 HIS 35 HD2 HIS 35 1.740 6.533 -0.050 252 HE1 HIS 35 HE1 HIS 35 0.336 9.031 -3.178 253 H THR 36 H THR 36 5.925 8.109 1.259 254 HA THR 36 HA THR 36 7.152 8.662 3.142 255 HB THR 36 HB THR 36 9.276 10.018 2.297 256 HG1 THR 36 HG1 THR 36 7.912 9.210 -0.061 257 HG21 THR 36 3HG2 THR 36 8.489 7.258 2.334 258 HG22 THR 36 1HG2 THR 36 10.079 7.964 2.618 259 HG23 THR 36 2HG2 THR 36 9.578 7.550 0.979 260 H ARG 37 H ARG 37 5.006 10.491 2.834 261 HA ARG 37 HA ARG 37 5.960 13.176 3.107 262 HB2 ARG 37 1HB ARG 37 3.732 12.757 2.233 263 HB3 ARG 37 2HB ARG 37 3.270 11.944 3.722 264 HG2 ARG 37 1HG ARG 37 2.318 14.039 3.946 265 HG3 ARG 37 2HG ARG 37 3.819 14.187 4.861 266 HD2 ARG 37 1HD ARG 37 4.880 15.358 3.080 267 HD3 ARG 37 2HD ARG 37 3.552 15.003 1.976 268 HE ARG 37 HE ARG 37 2.332 16.398 3.926 269 HH11 ARG 37 1HH1 ARG 37 5.209 16.989 2.058 270 HH12 ARG 37 2HH1 ARG 37 5.053 18.714 2.119 271 HH21 ARG 37 1HH2 ARG 37 2.114 18.667 4.014 272 HH22 ARG 37 2HH2 ARG 37 3.292 19.667 3.233 273 H LYS 38 H LYS 38 7.539 12.874 4.787 274 HA LYS 38 HA LYS 38 6.328 12.741 7.471 275 HB2 LYS 38 1HB LYS 38 8.989 11.690 6.515 276 HB3 LYS 38 2HB LYS 38 8.619 11.925 8.218 277 HG2 LYS 38 1HG LYS 38 8.113 9.709 7.954 278 HG3 LYS 38 2HG LYS 38 6.536 10.450 7.674 279 HD2 LYS 38 1HD LYS 38 7.009 10.387 5.232 280 HD3 LYS 38 2HD LYS 38 8.497 9.506 5.584 281 HE2 LYS 38 1HE LYS 38 6.803 7.922 4.978 282 HE3 LYS 38 2HE LYS 38 7.124 7.760 6.704 283 HZ1 LYS 38 3HZ LYS 38 4.961 9.544 5.853 284 HZ2 LYS 38 1HZ LYS 38 5.100 8.611 7.257 285 HZ3 LYS 38 2HZ LYS 38 4.692 7.875 5.790 286 H SER 39 H SER 39 6.441 14.597 8.532 287 HA SER 39 HA SER 39 7.478 16.953 7.711 288 HB2 SER 39 1HB SER 39 7.351 17.744 9.970 289 HB3 SER 39 2HB SER 39 6.071 16.546 9.773 290 HG SER 39 HG SER 39 8.581 16.217 11.048 291 H GLY 40 H GLY 40 9.442 17.545 7.094 292 HA2 GLY 40 1HA GLY 40 11.704 17.689 8.594 293 HA3 GLY 40 2HA GLY 40 11.780 16.071 7.913 294 HA PRO 41 HA PRO 41 13.073 19.586 4.872 295 HB2 PRO 41 1HB PRO 41 15.696 19.910 5.492 296 HB3 PRO 41 2HB PRO 41 14.412 20.892 6.206 297 HG2 PRO 41 1HG PRO 41 15.829 18.511 7.340 298 HG3 PRO 41 2HG PRO 41 15.387 20.034 8.135 299 HD2 PRO 41 1HD PRO 41 13.946 17.761 8.437 300 HD3 PRO 41 2HD PRO 41 13.203 19.373 8.465 301 H SER 42 H SER 42 14.288 16.570 5.994 302 HA SER 42 HA SER 42 16.167 16.030 3.951 303 HB2 SER 42 1HB SER 42 16.079 13.738 4.699 304 HB3 SER 42 2HB SER 42 15.986 14.780 6.118 305 HG SER 42 HG SER 42 13.923 14.242 6.407 306 H SER 43 H SER 43 15.944 15.289 1.925 307 HA SER 43 HA SER 43 14.808 15.138 -0.087 308 HB2 SER 43 1HB SER 43 13.790 12.804 1.547 309 HB3 SER 43 2HB SER 43 13.567 12.951 -0.196 310 HG SER 43 HG SER 43 15.433 11.956 -0.215 311 H GLY 44 H GLY 44 13.559 17.118 1.289 312 HA2 GLY 44 1HA GLY 44 11.525 18.151 1.709 313 HA3 GLY 44 2HA GLY 44 11.192 17.556 0.089 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -27.820 -8.775 24.829 2 HA2 GLY 1 1HA GLY 1 -29.168 -7.823 22.852 3 HA3 GLY 1 2HA GLY 1 -28.353 -6.326 23.283 4 H SER 2 H SER 2 -27.685 -6.564 20.965 5 HA SER 2 HA SER 2 -24.985 -7.485 20.866 6 HB2 SER 2 1HB SER 2 -26.433 -9.585 20.479 7 HB3 SER 2 2HB SER 2 -26.818 -8.867 18.915 8 HG SER 2 HG SER 2 -25.033 -9.844 18.351 9 H SER 3 H SER 3 -23.897 -6.175 19.552 10 HA SER 3 HA SER 3 -25.192 -5.064 17.185 11 HB2 SER 3 1HB SER 3 -24.364 -2.762 17.803 12 HB3 SER 3 2HB SER 3 -25.689 -3.361 18.801 13 HG SER 3 HG SER 3 -24.105 -2.491 20.129 14 H GLY 4 H GLY 4 -23.823 -4.788 15.504 15 HA2 GLY 4 1HA GLY 4 -21.569 -4.125 14.753 16 HA3 GLY 4 2HA GLY 4 -20.938 -5.112 16.063 17 H SER 5 H SER 5 -20.704 -7.294 15.787 18 HA SER 5 HA SER 5 -20.394 -9.248 14.664 19 HB2 SER 5 1HB SER 5 -22.883 -9.216 14.649 20 HB3 SER 5 2HB SER 5 -22.836 -8.395 13.089 21 HG SER 5 HG SER 5 -21.430 -10.341 12.526 22 H SER 6 H SER 6 -18.861 -7.100 13.794 23 HA SER 6 HA SER 6 -18.925 -6.878 10.939 24 HB2 SER 6 1HB SER 6 -17.006 -5.980 13.075 25 HB3 SER 6 2HB SER 6 -16.591 -5.835 11.367 26 HG SER 6 HG SER 6 -17.606 -3.946 12.211 27 H GLY 7 H GLY 7 -18.744 -8.908 10.035 28 HA2 GLY 7 1HA GLY 7 -16.390 -10.517 10.730 29 HA3 GLY 7 2HA GLY 7 -17.777 -11.067 9.800 30 H THR 8 H THR 8 -14.769 -9.293 9.702 31 HA THR 8 HA THR 8 -14.923 -8.628 6.925 32 HB THR 8 HB THR 8 -12.443 -8.777 8.646 33 HG1 THR 8 HG1 THR 8 -14.470 -6.830 8.401 34 HG21 THR 8 3HG2 THR 8 -12.573 -6.713 6.611 35 HG22 THR 8 1HG2 THR 8 -12.723 -8.328 5.920 36 HG23 THR 8 2HG2 THR 8 -11.323 -7.919 6.911 37 H ASP 9 H ASP 9 -14.375 -9.804 5.199 38 HA ASP 9 HA ASP 9 -12.871 -12.300 5.632 39 HB2 ASP 9 1HB ASP 9 -15.334 -11.828 3.961 40 HB3 ASP 9 2HB ASP 9 -14.258 -13.191 3.664 41 H SER 10 H SER 10 -13.924 -10.003 3.121 42 HA SER 10 HA SER 10 -11.630 -10.678 1.477 43 HB2 SER 10 1HB SER 10 -14.102 -9.039 1.113 44 HB3 SER 10 2HB SER 10 -12.712 -8.704 0.080 45 HG SER 10 HG SER 10 -13.558 -10.284 -1.045 46 H LYS 11 H LYS 11 -10.592 -9.759 3.726 47 HA LYS 11 HA LYS 11 -10.277 -7.004 4.048 48 HB2 LYS 11 1HB LYS 11 -8.353 -7.521 5.401 49 HB3 LYS 11 2HB LYS 11 -9.588 -8.738 5.698 50 HG2 LYS 11 1HG LYS 11 -8.421 -10.293 4.226 51 HG3 LYS 11 2HG LYS 11 -7.187 -9.070 3.908 52 HD2 LYS 11 1HD LYS 11 -6.191 -10.337 5.566 53 HD3 LYS 11 2HD LYS 11 -6.936 -9.037 6.499 54 HE2 LYS 11 1HE LYS 11 -7.391 -11.126 7.591 55 HE3 LYS 11 2HE LYS 11 -8.891 -10.517 6.893 56 HZ1 LYS 11 3HZ LYS 11 -8.961 -12.173 5.360 57 HZ2 LYS 11 1HZ LYS 11 -8.131 -13.000 6.580 58 HZ3 LYS 11 2HZ LYS 11 -7.280 -12.343 5.275 59 H SER 12 H SER 12 -8.394 -5.672 3.591 60 HA SER 12 HA SER 12 -6.491 -6.437 1.613 61 HB2 SER 12 1HB SER 12 -8.961 -4.995 0.767 62 HB3 SER 12 2HB SER 12 -7.432 -4.505 0.038 63 HG SER 12 HG SER 12 -8.663 -7.053 -0.018 64 H TYR 13 H TYR 13 -5.003 -4.707 1.087 65 HA TYR 13 HA TYR 13 -5.006 -2.608 3.152 66 HB2 TYR 13 1HB TYR 13 -2.606 -3.631 1.631 67 HB3 TYR 13 2HB TYR 13 -2.613 -2.619 3.071 68 HD1 TYR 13 HD2 TYR 13 -3.808 -3.706 5.168 69 HD2 TYR 13 HD1 TYR 13 -2.228 -5.897 1.880 70 HE1 TYR 13 HE2 TYR 13 -3.661 -5.712 6.583 71 HE2 TYR 13 HE1 TYR 13 -2.078 -7.910 3.286 72 HH TYR 13 HH TYR 13 -2.203 -8.701 5.388 73 H ASN 14 H ASN 14 -5.582 -0.687 2.401 74 HA ASN 14 HA ASN 14 -4.876 0.023 -0.367 75 HB2 ASN 14 1HB ASN 14 -6.998 1.314 1.355 76 HB3 ASN 14 2HB ASN 14 -6.746 1.536 -0.374 77 HD21 ASN 14 1HD2 ASN 14 -9.201 0.881 0.452 78 HD22 ASN 14 2HD2 ASN 14 -9.575 -0.756 0.046 79 H CYS 15 H CYS 15 -4.063 2.108 -0.812 80 HA CYS 15 HA CYS 15 -2.335 3.133 1.241 81 HB2 CYS 15 1HB CYS 15 -1.568 3.022 -1.077 82 HB3 CYS 15 2HB CYS 15 -2.859 4.110 -1.574 83 H ASN 16 H ASN 16 -2.901 4.582 2.710 84 HA ASN 16 HA ASN 16 -5.280 6.217 2.286 85 HB2 ASN 16 1HB ASN 16 -4.561 6.873 4.775 86 HB3 ASN 16 2HB ASN 16 -5.468 5.406 4.417 87 HD21 ASN 16 1HD2 ASN 16 -4.241 3.422 4.164 88 HD22 ASN 16 2HD2 ASN 16 -2.790 3.211 5.077 89 H GLU 17 H GLU 17 -3.199 6.971 0.650 90 HA GLU 17 HA GLU 17 -2.531 9.605 1.764 91 HB2 GLU 17 1HB GLU 17 -0.655 7.729 0.325 92 HB3 GLU 17 2HB GLU 17 -0.326 9.443 0.532 93 HG2 GLU 17 1HG GLU 17 0.811 8.039 2.195 94 HG3 GLU 17 2HG GLU 17 -0.296 9.202 2.923 95 H CYS 18 H CYS 18 -2.894 7.585 -1.111 96 HA CYS 18 HA CYS 18 -3.568 10.014 -2.640 97 HB2 CYS 18 1HB CYS 18 -2.742 8.903 -4.649 98 HB3 CYS 18 2HB CYS 18 -1.477 8.968 -3.426 99 H GLY 19 H GLY 19 -4.215 6.545 -2.256 100 HA2 GLY 19 1HA GLY 19 -6.657 6.042 -2.008 101 HA3 GLY 19 2HA GLY 19 -6.875 7.012 -3.456 102 H LYS 20 H LYS 20 -4.427 4.554 -2.707 103 HA LYS 20 HA LYS 20 -5.228 3.143 -5.156 104 HB2 LYS 20 1HB LYS 20 -2.822 3.993 -4.740 105 HB3 LYS 20 2HB LYS 20 -2.690 2.640 -3.623 106 HG2 LYS 20 1HG LYS 20 -2.813 1.066 -5.303 107 HG3 LYS 20 2HG LYS 20 -3.617 2.170 -6.421 108 HD2 LYS 20 1HD LYS 20 -0.856 2.819 -5.508 109 HD3 LYS 20 2HD LYS 20 -1.072 1.544 -6.710 110 HE2 LYS 20 1HE LYS 20 -2.421 3.174 -8.056 111 HE3 LYS 20 2HE LYS 20 -1.940 4.423 -6.909 112 HZ1 LYS 20 3HZ LYS 20 -0.585 3.996 -9.091 113 HZ2 LYS 20 1HZ LYS 20 0.157 2.799 -8.153 114 HZ3 LYS 20 2HZ LYS 20 0.200 4.414 -7.652 115 H ALA 21 H ALA 21 -4.748 0.696 -5.026 116 HA ALA 21 HA ALA 21 -5.458 -0.413 -2.409 117 HB1 ALA 21 3HB ALA 21 -7.600 -0.271 -3.338 118 HB2 ALA 21 1HB ALA 21 -7.035 -0.746 -4.941 119 HB3 ALA 21 2HB ALA 21 -7.104 -1.937 -3.641 120 H PHE 22 H PHE 22 -4.566 -2.374 -1.983 121 HA PHE 22 HA PHE 22 -3.218 -3.788 -4.175 122 HB2 PHE 22 1HB PHE 22 -1.942 -3.357 -1.471 123 HB3 PHE 22 2HB PHE 22 -1.206 -4.065 -2.905 124 HD1 PHE 22 HD1 PHE 22 -2.449 -0.928 -1.420 125 HD2 PHE 22 HD2 PHE 22 -0.215 -2.715 -4.571 126 HE1 PHE 22 HE1 PHE 22 -1.607 1.289 -2.075 127 HE2 PHE 22 HE2 PHE 22 0.633 -0.501 -5.230 128 HZ PHE 22 HZ PHE 22 -0.063 1.504 -3.981 129 H THR 23 H THR 23 -2.812 -6.033 -3.768 130 HA THR 23 HA THR 23 -4.867 -7.218 -2.089 131 HB THR 23 HB THR 23 -2.931 -8.564 -3.983 132 HG1 THR 23 HG1 THR 23 -5.691 -8.039 -4.413 133 HG21 THR 23 3HG2 THR 23 -3.637 -10.317 -2.688 134 HG22 THR 23 1HG2 THR 23 -4.955 -10.268 -3.858 135 HG23 THR 23 2HG2 THR 23 -5.160 -9.536 -2.266 136 H ARG 24 H ARG 24 -1.347 -7.176 -2.371 137 HA ARG 24 HA ARG 24 -1.104 -8.851 0.014 138 HB2 ARG 24 1HB ARG 24 1.047 -7.769 -1.815 139 HB3 ARG 24 2HB ARG 24 1.283 -8.929 -0.514 140 HG2 ARG 24 1HG ARG 24 -0.426 -9.404 -2.947 141 HG3 ARG 24 2HG ARG 24 1.236 -9.965 -2.749 142 HD2 ARG 24 1HD ARG 24 -0.969 -10.662 -0.825 143 HD3 ARG 24 2HD ARG 24 -0.586 -11.645 -2.237 144 HE ARG 24 HE ARG 24 0.959 -11.405 0.196 145 HH11 ARG 24 1HH1 ARG 24 0.917 -12.388 -3.143 146 HH12 ARG 24 2HH1 ARG 24 2.259 -13.472 -2.977 147 HH21 ARG 24 1HH2 ARG 24 2.727 -12.828 0.428 148 HH22 ARG 24 2HH2 ARG 24 3.287 -13.722 -0.945 149 H ILE 25 H ILE 25 0.911 -8.099 1.412 150 HA ILE 25 HA ILE 25 0.183 -5.467 2.414 151 HB ILE 25 HB ILE 25 0.396 -7.295 4.023 152 HG12 ILE 25 1HG1 ILE 25 2.294 -6.148 5.448 153 HG13 ILE 25 2HG1 ILE 25 2.251 -4.950 4.159 154 HG21 ILE 25 1HG2 ILE 25 2.084 -8.614 2.862 155 HG22 ILE 25 2HG2 ILE 25 3.292 -7.373 3.189 156 HG23 ILE 25 3HG2 ILE 25 2.579 -8.281 4.522 157 HD11 ILE 25 3HD1 ILE 25 -0.397 -5.259 4.774 158 HD12 ILE 25 1HD1 ILE 25 0.390 -5.420 6.343 159 HD13 ILE 25 2HD1 ILE 25 0.658 -3.976 5.366 160 H PHE 26 H PHE 26 3.033 -7.164 1.175 161 HA PHE 26 HA PHE 26 4.866 -5.054 1.525 162 HB2 PHE 26 1HB PHE 26 6.251 -6.269 -0.142 163 HB3 PHE 26 2HB PHE 26 5.640 -7.318 1.133 164 HD1 PHE 26 HD1 PHE 26 3.744 -8.850 0.658 165 HD2 PHE 26 HD2 PHE 26 5.686 -6.625 -2.406 166 HE1 PHE 26 HE1 PHE 26 2.784 -10.353 -1.037 167 HE2 PHE 26 HE2 PHE 26 4.729 -8.123 -4.106 168 HZ PHE 26 HZ PHE 26 3.276 -9.990 -3.423 169 H HIS 27 H HIS 27 3.175 -6.130 -1.426 170 HA HIS 27 HA HIS 27 3.986 -4.343 -3.265 171 HB2 HIS 27 1HB HIS 27 1.286 -5.512 -2.720 172 HB3 HIS 27 2HB HIS 27 1.452 -4.300 -3.987 173 HD2 HIS 27 HD2 HIS 27 4.133 -5.304 -5.464 174 HE1 HIS 27 HE1 HIS 27 2.211 -9.080 -5.672 175 HE2 HIS 27 HE2 HIS 27 4.113 -7.664 -6.521 176 H LEU 28 H LEU 28 2.135 -3.616 -0.431 177 HA LEU 28 HA LEU 28 1.341 -0.988 -1.320 178 HB2 LEU 28 1HB LEU 28 -0.175 -1.940 0.164 179 HB3 LEU 28 2HB LEU 28 1.096 -2.526 1.234 180 HG LEU 28 HG LEU 28 1.520 -0.176 1.926 181 HD11 LEU 28 1HD1 LEU 28 0.561 1.566 0.933 182 HD12 LEU 28 2HD1 LEU 28 -1.041 0.838 1.044 183 HD13 LEU 28 3HD1 LEU 28 0.012 0.447 -0.315 184 HD21 LEU 28 3HD2 LEU 28 -0.957 -0.001 2.950 185 HD22 LEU 28 1HD2 LEU 28 0.267 -1.121 3.549 186 HD23 LEU 28 2HD2 LEU 28 -0.967 -1.685 2.422 187 H THR 29 H THR 29 3.404 -2.143 1.354 188 HA THR 29 HA THR 29 4.505 0.217 2.167 189 HB THR 29 HB THR 29 4.951 -2.256 2.950 190 HG1 THR 29 HG1 THR 29 6.987 -0.265 3.111 191 HG21 THR 29 3HG2 THR 29 6.168 -2.846 0.855 192 HG22 THR 29 1HG2 THR 29 7.108 -3.118 2.321 193 HG23 THR 29 2HG2 THR 29 7.429 -1.704 1.318 194 H ARG 30 H ARG 30 5.532 -1.767 -0.580 195 HA ARG 30 HA ARG 30 7.804 -0.236 -1.259 196 HB2 ARG 30 1HB ARG 30 6.123 -1.806 -3.209 197 HB3 ARG 30 2HB ARG 30 7.846 -1.463 -3.296 198 HG2 ARG 30 1HG ARG 30 8.231 -2.897 -1.355 199 HG3 ARG 30 2HG ARG 30 6.502 -3.243 -1.273 200 HD2 ARG 30 1HD ARG 30 8.517 -4.105 -3.307 201 HD3 ARG 30 2HD ARG 30 7.335 -5.073 -2.426 202 HE ARG 30 HE ARG 30 5.731 -4.510 -3.993 203 HH11 ARG 30 1HH1 ARG 30 8.643 -2.677 -4.521 204 HH12 ARG 30 2HH1 ARG 30 8.154 -2.102 -6.081 205 HH21 ARG 30 1HH2 ARG 30 5.076 -3.760 -6.045 206 HH22 ARG 30 2HH2 ARG 30 6.124 -2.718 -6.946 207 H HIS 31 H HIS 31 4.406 0.125 -1.948 208 HA HIS 31 HA HIS 31 4.729 2.026 -4.062 209 HB2 HIS 31 1HB HIS 31 2.686 0.853 -4.090 210 HB3 HIS 31 2HB HIS 31 2.393 1.148 -2.379 211 HD1 HIS 31 HD1 HIS 31 2.545 3.097 -5.636 212 HD2 HIS 31 HD2 HIS 31 0.769 3.267 -1.884 213 HE1 HIS 31 HE1 HIS 31 0.966 5.052 -5.728 214 H GLN 32 H GLN 32 4.100 2.224 -0.588 215 HA GLN 32 HA GLN 32 3.573 4.927 -0.342 216 HB2 GLN 32 1HB GLN 32 5.083 3.111 1.542 217 HB3 GLN 32 2HB GLN 32 4.497 4.714 1.968 218 HG2 GLN 32 1HG GLN 32 2.653 2.578 0.960 219 HG3 GLN 32 2HG GLN 32 3.093 2.704 2.662 220 HE21 GLN 32 1HE2 GLN 32 0.546 2.900 2.292 221 HE22 GLN 32 2HE2 GLN 32 -0.027 4.528 2.356 222 H LYS 33 H LYS 33 6.440 3.431 -1.362 223 HA LYS 33 HA LYS 33 8.448 5.107 -0.448 224 HB2 LYS 33 1HB LYS 33 8.146 3.685 -3.094 225 HB3 LYS 33 2HB LYS 33 9.618 4.518 -2.612 226 HG2 LYS 33 1HG LYS 33 9.638 3.031 -0.570 227 HG3 LYS 33 2HG LYS 33 8.364 2.095 -1.355 228 HD2 LYS 33 1HD LYS 33 9.767 1.325 -3.012 229 HD3 LYS 33 2HD LYS 33 10.865 2.700 -2.867 230 HE2 LYS 33 1HE LYS 33 10.557 0.657 -0.685 231 HE3 LYS 33 2HE LYS 33 11.692 0.440 -2.017 232 HZ1 LYS 33 3HZ LYS 33 12.114 1.846 0.320 233 HZ2 LYS 33 1HZ LYS 33 11.968 3.023 -0.887 234 HZ3 LYS 33 2HZ LYS 33 13.123 1.796 -1.037 235 H ILE 34 H ILE 34 6.054 5.639 -2.938 236 HA ILE 34 HA ILE 34 7.330 8.081 -3.853 237 HB ILE 34 HB ILE 34 5.495 8.267 -5.427 238 HG12 ILE 34 1HG1 ILE 34 4.290 5.695 -4.511 239 HG13 ILE 34 2HG1 ILE 34 3.899 7.159 -3.616 240 HG21 ILE 34 1HG2 ILE 34 7.124 5.853 -5.177 241 HG22 ILE 34 2HG2 ILE 34 5.713 5.662 -6.217 242 HG23 ILE 34 3HG2 ILE 34 6.892 6.929 -6.555 243 HD11 ILE 34 3HD1 ILE 34 2.554 7.918 -5.224 244 HD12 ILE 34 1HD1 ILE 34 3.658 7.437 -6.513 245 HD13 ILE 34 2HD1 ILE 34 2.565 6.250 -5.799 246 H HIS 35 H HIS 35 6.024 7.561 -1.087 247 HA HIS 35 HA HIS 35 4.506 10.083 -1.047 248 HB2 HIS 35 1HB HIS 35 3.874 7.516 0.414 249 HB3 HIS 35 2HB HIS 35 3.139 9.065 0.816 250 HD1 HIS 35 HD1 HIS 35 2.436 10.152 -1.918 251 HD2 HIS 35 HD2 HIS 35 1.888 6.175 -0.847 252 HE1 HIS 35 HE1 HIS 35 0.663 9.276 -3.471 253 H THR 36 H THR 36 7.272 9.827 -0.575 254 HA THR 36 HA THR 36 7.947 9.563 2.145 255 HB THR 36 HB THR 36 9.998 10.857 1.559 256 HG1 THR 36 HG1 THR 36 10.098 11.167 -0.885 257 HG21 THR 36 3HG2 THR 36 10.386 8.629 1.199 258 HG22 THR 36 1HG2 THR 36 10.590 9.230 -0.446 259 HG23 THR 36 2HG2 THR 36 9.070 8.475 0.035 260 H ARG 37 H ARG 37 8.298 11.097 3.758 261 HA ARG 37 HA ARG 37 6.938 13.676 3.325 262 HB2 ARG 37 1HB ARG 37 6.994 11.817 5.676 263 HB3 ARG 37 2HB ARG 37 6.717 13.535 5.925 264 HG2 ARG 37 1HG ARG 37 4.678 13.501 4.865 265 HG3 ARG 37 2HG ARG 37 5.076 12.065 3.919 266 HD2 ARG 37 1HD ARG 37 4.860 10.661 5.853 267 HD3 ARG 37 2HD ARG 37 4.667 12.064 6.904 268 HE ARG 37 HE ARG 37 2.662 12.044 4.911 269 HH11 ARG 37 1HH1 ARG 37 3.611 10.448 7.856 270 HH12 ARG 37 2HH1 ARG 37 1.993 10.010 8.294 271 HH21 ARG 37 1HH2 ARG 37 0.527 11.473 5.477 272 HH22 ARG 37 2HH2 ARG 37 0.240 10.593 6.939 273 H LYS 38 H LYS 38 8.227 15.383 3.365 274 HA LYS 38 HA LYS 38 10.770 15.198 4.839 275 HB2 LYS 38 1HB LYS 38 11.391 17.172 3.288 276 HB3 LYS 38 2HB LYS 38 11.357 15.549 2.610 277 HG2 LYS 38 1HG LYS 38 8.888 17.193 2.446 278 HG3 LYS 38 2HG LYS 38 10.237 17.585 1.377 279 HD2 LYS 38 1HD LYS 38 10.190 14.966 0.969 280 HD3 LYS 38 2HD LYS 38 8.505 15.169 1.455 281 HE2 LYS 38 1HE LYS 38 8.382 15.457 -0.832 282 HE3 LYS 38 2HE LYS 38 8.522 17.120 -0.263 283 HZ1 LYS 38 3HZ LYS 38 11.105 16.256 -0.601 284 HZ2 LYS 38 1HZ LYS 38 10.249 17.299 -1.622 285 HZ3 LYS 38 2HZ LYS 38 10.278 15.639 -1.942 286 H SER 39 H SER 39 9.993 15.900 6.831 287 HA SER 39 HA SER 39 8.435 18.270 7.127 288 HB2 SER 39 1HB SER 39 9.863 16.420 9.003 289 HB3 SER 39 2HB SER 39 9.284 17.977 9.596 290 HG SER 39 HG SER 39 7.248 17.127 8.366 291 H GLY 40 H GLY 40 11.871 17.500 7.580 292 HA2 GLY 40 1HA GLY 40 12.618 20.203 6.941 293 HA3 GLY 40 2HA GLY 40 12.847 19.816 8.640 294 HA PRO 41 HA PRO 41 16.761 18.703 6.484 295 HB2 PRO 41 1HB PRO 41 18.369 19.612 8.474 296 HB3 PRO 41 2HB PRO 41 17.738 20.657 7.196 297 HG2 PRO 41 1HG PRO 41 16.751 20.283 9.998 298 HG3 PRO 41 2HG PRO 41 16.943 21.782 9.070 299 HD2 PRO 41 1HD PRO 41 14.546 20.563 9.388 300 HD3 PRO 41 2HD PRO 41 14.967 21.474 7.924 301 H SER 42 H SER 42 17.628 16.735 6.683 302 HA SER 42 HA SER 42 16.829 14.888 8.604 303 HB2 SER 42 1HB SER 42 19.334 14.844 6.902 304 HB3 SER 42 2HB SER 42 18.642 13.454 7.738 305 HG SER 42 HG SER 42 17.548 13.211 5.962 306 H SER 43 H SER 43 17.090 15.616 10.693 307 HA SER 43 HA SER 43 19.618 16.573 11.661 308 HB2 SER 43 1HB SER 43 16.941 16.016 12.880 309 HB3 SER 43 2HB SER 43 18.341 16.201 13.936 310 HG SER 43 HG SER 43 17.765 18.096 11.928 311 H GLY 44 H GLY 44 17.760 13.569 11.953 312 HA2 GLY 44 1HA GLY 44 20.091 11.975 12.202 313 HA3 GLY 44 2HA GLY 44 19.363 12.222 13.782
Contact the webmaster for help, if required. Sunday, May 19, 2024 2:34:03 PM GMT (wattos1)