NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
505690 | 2ytm | 10176 | 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 6.418 -18.213 2.333 2 HA2 GLY 1 1HA GLY 1 8.343 -16.921 1.444 3 HA3 GLY 1 2HA GLY 1 6.818 -16.116 1.104 4 H SER 2 H SER 2 9.827 -15.920 2.696 5 HA SER 2 HA SER 2 9.004 -13.444 4.062 6 HB2 SER 2 1HB SER 2 10.067 -15.427 5.361 7 HB3 SER 2 2HB SER 2 11.578 -14.893 4.625 8 HG SER 2 HG SER 2 10.747 -12.716 5.504 9 H SER 3 H SER 3 11.778 -14.867 2.334 10 HA SER 3 HA SER 3 12.504 -12.156 1.443 11 HB2 SER 3 1HB SER 3 14.166 -13.570 2.808 12 HB3 SER 3 2HB SER 3 14.336 -14.548 1.350 13 HG SER 3 HG SER 3 14.687 -12.304 0.362 14 H GLY 4 H GLY 4 13.108 -11.821 -0.735 15 HA2 GLY 4 1HA GLY 4 13.326 -12.419 -3.000 16 HA3 GLY 4 2HA GLY 4 12.644 -13.995 -2.627 17 H SER 5 H SER 5 11.710 -10.557 -2.657 18 HA SER 5 HA SER 5 9.045 -11.396 -3.591 19 HB2 SER 5 1HB SER 5 9.106 -10.188 -1.404 20 HB3 SER 5 2HB SER 5 9.788 -8.792 -2.237 21 HG SER 5 HG SER 5 7.442 -9.879 -3.271 22 H SER 6 H SER 6 9.325 -11.397 -5.778 23 HA SER 6 HA SER 6 9.374 -8.851 -7.089 24 HB2 SER 6 1HB SER 6 11.841 -9.493 -6.668 25 HB3 SER 6 2HB SER 6 11.588 -10.721 -7.908 26 HG SER 6 HG SER 6 10.769 -8.126 -8.498 27 H GLY 7 H GLY 7 9.516 -9.294 -9.609 28 HA2 GLY 7 1HA GLY 7 8.966 -11.554 -10.934 29 HA3 GLY 7 2HA GLY 7 7.434 -11.253 -10.127 30 H THR 8 H THR 8 6.534 -11.105 -12.279 31 HA THR 8 HA THR 8 7.043 -8.480 -13.522 32 HB THR 8 HB THR 8 6.141 -11.009 -14.915 33 HG1 THR 8 HG1 THR 8 8.316 -10.415 -15.992 34 HG21 THR 8 3HG2 THR 8 6.691 -9.541 -16.959 35 HG22 THR 8 1HG2 THR 8 6.545 -8.182 -15.845 36 HG23 THR 8 2HG2 THR 8 5.169 -9.252 -16.116 37 H GLY 9 H GLY 9 5.417 -7.147 -13.066 38 HA2 GLY 9 1HA GLY 9 2.954 -7.012 -13.928 39 HA3 GLY 9 2HA GLY 9 2.722 -8.247 -12.699 40 H GLU 10 H GLU 10 1.184 -6.221 -12.274 41 HA GLU 10 HA GLU 10 2.552 -4.585 -10.241 42 HB2 GLU 10 1HB GLU 10 0.262 -3.809 -12.053 43 HB3 GLU 10 2HB GLU 10 0.819 -2.839 -10.696 44 HG2 GLU 10 1HG GLU 10 2.758 -3.657 -12.806 45 HG3 GLU 10 2HG GLU 10 1.639 -2.330 -13.114 46 H LYS 11 H LYS 11 1.561 -4.329 -8.273 47 HA LYS 11 HA LYS 11 -0.956 -5.802 -7.858 48 HB2 LYS 11 1HB LYS 11 1.592 -5.893 -6.272 49 HB3 LYS 11 2HB LYS 11 0.050 -6.249 -5.505 50 HG2 LYS 11 1HG LYS 11 0.748 -8.345 -6.103 51 HG3 LYS 11 2HG LYS 11 -0.235 -7.905 -7.502 52 HD2 LYS 11 1HD LYS 11 1.969 -7.026 -8.503 53 HD3 LYS 11 2HD LYS 11 2.754 -7.984 -7.245 54 HE2 LYS 11 1HE LYS 11 1.675 -9.994 -8.064 55 HE3 LYS 11 2HE LYS 11 0.790 -9.058 -9.267 56 HZ1 LYS 11 3HZ LYS 11 3.204 -8.360 -9.954 57 HZ2 LYS 11 1HZ LYS 11 2.525 -9.804 -10.514 58 HZ3 LYS 11 2HZ LYS 11 3.615 -9.828 -9.221 59 HA PRO 12 HA PRO 12 -1.472 -1.455 -6.390 60 HB2 PRO 12 1HB PRO 12 -4.016 -1.219 -7.306 61 HB3 PRO 12 2HB PRO 12 -2.599 -0.906 -8.315 62 HG2 PRO 12 1HG PRO 12 -4.314 -3.355 -8.166 63 HG3 PRO 12 2HG PRO 12 -3.655 -2.536 -9.594 64 HD2 PRO 12 1HD PRO 12 -2.538 -4.771 -8.550 65 HD3 PRO 12 2HD PRO 12 -1.579 -3.508 -9.347 66 H TYR 13 H TYR 13 -2.654 -4.468 -5.609 67 HA TYR 13 HA TYR 13 -4.690 -3.562 -3.745 68 HB2 TYR 13 1HB TYR 13 -3.703 -6.378 -3.769 69 HB3 TYR 13 2HB TYR 13 -5.340 -5.765 -3.559 70 HD1 TYR 13 HD1 TYR 13 -2.763 -6.689 -5.999 71 HD2 TYR 13 HD2 TYR 13 -6.747 -5.292 -5.471 72 HE1 TYR 13 HE1 TYR 13 -3.244 -7.185 -8.360 73 HE2 TYR 13 HE2 TYR 13 -7.239 -5.785 -7.830 74 HH TYR 13 HH TYR 13 -5.674 -5.969 -10.036 75 H LYS 14 H LYS 14 -1.570 -5.268 -3.588 76 HA LYS 14 HA LYS 14 -1.390 -4.516 -0.747 77 HB2 LYS 14 1HB LYS 14 -1.344 -6.967 -1.320 78 HB3 LYS 14 2HB LYS 14 0.170 -6.679 -2.167 79 HG2 LYS 14 1HG LYS 14 1.255 -6.028 -0.133 80 HG3 LYS 14 2HG LYS 14 -0.270 -6.092 0.752 81 HD2 LYS 14 1HD LYS 14 0.708 -8.114 1.312 82 HD3 LYS 14 2HD LYS 14 -0.330 -8.565 -0.043 83 HE2 LYS 14 1HE LYS 14 2.498 -7.752 -0.554 84 HE3 LYS 14 2HE LYS 14 2.155 -9.373 0.048 85 HZ1 LYS 14 3HZ LYS 14 0.374 -9.070 -1.971 86 HZ2 LYS 14 1HZ LYS 14 1.853 -9.886 -2.085 87 HZ3 LYS 14 2HZ LYS 14 1.739 -8.269 -2.569 88 H CYS 15 H CYS 15 0.393 -3.447 0.016 89 HA CYS 15 HA CYS 15 1.808 -1.789 -1.761 90 HB2 CYS 15 1HB CYS 15 1.405 -1.167 0.571 91 HB3 CYS 15 2HB CYS 15 2.428 -2.493 1.116 92 H MET 16 H MET 16 3.737 -1.968 -2.753 93 HA MET 16 HA MET 16 5.104 -4.546 -2.551 94 HB2 MET 16 1HB MET 16 5.368 -2.321 -4.580 95 HB3 MET 16 2HB MET 16 6.248 -3.842 -4.636 96 HG2 MET 16 1HG MET 16 4.141 -5.056 -4.847 97 HG3 MET 16 2HG MET 16 3.259 -3.532 -4.791 98 HE1 MET 16 3HE MET 16 5.186 -1.631 -7.234 99 HE2 MET 16 1HE MET 16 3.572 -1.843 -7.911 100 HE3 MET 16 2HE MET 16 3.778 -1.640 -6.172 101 H GLU 17 H GLU 17 5.605 -1.120 -2.040 102 HA GLU 17 HA GLU 17 8.297 -0.825 -1.909 103 HB2 GLU 17 1HB GLU 17 6.069 0.305 -0.279 104 HB3 GLU 17 2HB GLU 17 7.719 0.614 0.243 105 HG2 GLU 17 1HG GLU 17 6.395 1.421 -2.322 106 HG3 GLU 17 2HG GLU 17 7.112 2.449 -1.083 107 H CYS 18 H CYS 18 6.265 -2.101 0.721 108 HA CYS 18 HA CYS 18 8.700 -3.243 1.926 109 HB2 CYS 18 1HB CYS 18 7.505 -3.175 4.084 110 HB3 CYS 18 2HB CYS 18 7.675 -1.572 3.375 111 H GLY 19 H GLY 19 5.226 -3.796 1.409 112 HA2 GLY 19 1HA GLY 19 4.454 -5.885 0.495 113 HA3 GLY 19 2HA GLY 19 5.812 -6.680 1.278 114 H LYS 20 H LYS 20 2.813 -4.916 1.974 115 HA LYS 20 HA LYS 20 2.318 -6.774 4.181 116 HB2 LYS 20 1HB LYS 20 3.302 -4.808 5.230 117 HB3 LYS 20 2HB LYS 20 2.151 -3.764 4.406 118 HG2 LYS 20 1HG LYS 20 0.341 -4.598 5.686 119 HG3 LYS 20 2HG LYS 20 1.322 -5.914 6.336 120 HD2 LYS 20 1HD LYS 20 2.804 -4.064 7.316 121 HD3 LYS 20 2HD LYS 20 1.457 -2.979 6.964 122 HE2 LYS 20 1HE LYS 20 0.101 -3.930 8.546 123 HE3 LYS 20 2HE LYS 20 0.890 -5.503 8.433 124 HZ1 LYS 20 3HZ LYS 20 1.404 -3.371 10.232 125 HZ2 LYS 20 1HZ LYS 20 2.810 -3.769 9.378 126 HZ3 LYS 20 2HZ LYS 20 1.991 -4.957 10.260 127 H ALA 21 H ALA 21 0.292 -7.520 4.183 128 HA ALA 21 HA ALA 21 -1.583 -6.480 2.234 129 HB1 ALA 21 3HB ALA 21 -1.108 -9.001 3.488 130 HB2 ALA 21 1HB ALA 21 -2.788 -8.531 3.746 131 HB3 ALA 21 2HB ALA 21 -2.139 -8.623 2.108 132 H PHE 22 H PHE 22 -3.478 -5.450 2.652 133 HA PHE 22 HA PHE 22 -4.023 -4.779 5.469 134 HB2 PHE 22 1HB PHE 22 -4.474 -3.109 2.988 135 HB3 PHE 22 2HB PHE 22 -5.016 -2.661 4.602 136 HD1 PHE 22 HD1 PHE 22 -1.927 -3.613 2.753 137 HD2 PHE 22 HD2 PHE 22 -3.652 -1.358 5.924 138 HE1 PHE 22 HE1 PHE 22 0.255 -2.560 3.186 139 HE2 PHE 22 HE2 PHE 22 -1.474 -0.300 6.361 140 HZ PHE 22 HZ PHE 22 0.483 -0.900 4.991 141 H GLY 23 H GLY 23 -6.356 -4.119 5.838 142 HA2 GLY 23 1HA GLY 23 -8.057 -6.159 4.601 143 HA3 GLY 23 2HA GLY 23 -8.394 -5.300 6.096 144 H ASP 24 H ASP 24 -8.119 -2.681 5.328 145 HA ASP 24 HA ASP 24 -10.145 -2.383 3.209 146 HB2 ASP 24 1HB ASP 24 -10.890 -2.008 5.665 147 HB3 ASP 24 2HB ASP 24 -9.974 -0.507 5.551 148 H ASN 25 H ASN 25 -9.809 -0.820 1.712 149 HA ASN 25 HA ASN 25 -7.312 0.107 1.104 150 HB2 ASN 25 1HB ASN 25 -9.385 0.190 -0.349 151 HB3 ASN 25 2HB ASN 25 -9.826 1.669 0.500 152 HD21 ASN 25 1HD2 ASN 25 -7.051 0.230 -1.177 153 HD22 ASN 25 2HD2 ASN 25 -6.571 1.680 -1.985 154 H SER 26 H SER 26 -9.818 1.851 2.923 155 HA SER 26 HA SER 26 -8.826 4.290 3.331 156 HB2 SER 26 1HB SER 26 -9.912 2.423 5.446 157 HB3 SER 26 2HB SER 26 -9.621 4.139 5.731 158 HG SER 26 HG SER 26 -11.675 2.925 4.431 159 H SER 27 H SER 27 -7.694 1.452 5.161 160 HA SER 27 HA SER 27 -5.593 2.914 6.446 161 HB2 SER 27 1HB SER 27 -4.884 0.708 7.296 162 HB3 SER 27 2HB SER 27 -6.613 0.967 7.530 163 HG SER 27 HG SER 27 -6.926 -0.267 5.582 164 H CYS 28 H CYS 28 -5.876 0.903 3.593 165 HA CYS 28 HA CYS 28 -3.165 0.410 3.109 166 HB2 CYS 28 1HB CYS 28 -5.131 -0.639 1.924 167 HB3 CYS 28 2HB CYS 28 -5.275 0.846 0.993 168 HG CYS 28 HG CYS 28 -2.482 0.516 0.124 169 H THR 29 H THR 29 -5.233 2.941 1.679 170 HA THR 29 HA THR 29 -3.267 4.303 0.280 171 HB THR 29 HB THR 29 -5.837 4.680 0.329 172 HG1 THR 29 HG1 THR 29 -3.766 6.505 -0.122 173 HG21 THR 29 3HG2 THR 29 -6.503 6.659 1.646 174 HG22 THR 29 1HG2 THR 29 -4.923 6.649 2.429 175 HG23 THR 29 2HG2 THR 29 -6.035 5.301 2.670 176 H GLN 30 H GLN 30 -4.288 4.695 3.649 177 HA GLN 30 HA GLN 30 -2.741 6.946 4.262 178 HB2 GLN 30 1HB GLN 30 -3.809 4.690 5.943 179 HB3 GLN 30 2HB GLN 30 -2.866 5.997 6.647 180 HG2 GLN 30 1HG GLN 30 -5.571 6.098 5.381 181 HG3 GLN 30 2HG GLN 30 -5.065 6.651 6.976 182 HE21 GLN 30 1HE2 GLN 30 -6.391 7.936 4.565 183 HE22 GLN 30 2HE2 GLN 30 -5.488 9.388 4.320 184 H HIS 31 H HIS 31 -1.990 3.489 4.542 185 HA HIS 31 HA HIS 31 0.411 3.494 5.802 186 HB2 HIS 31 1HB HIS 31 -0.560 1.425 5.059 187 HB3 HIS 31 2HB HIS 31 -0.402 1.897 3.369 188 HD1 HIS 31 HD1 HIS 31 1.850 1.149 6.339 189 HD2 HIS 31 HD2 HIS 31 1.860 0.983 2.188 190 HE1 HIS 31 HE1 HIS 31 4.023 0.047 5.716 191 H GLN 32 H GLN 32 -0.052 4.082 2.322 192 HA GLN 32 HA GLN 32 2.522 4.406 1.487 193 HB2 GLN 32 1HB GLN 32 0.045 5.940 0.716 194 HB3 GLN 32 2HB GLN 32 1.585 6.170 -0.101 195 HG2 GLN 32 1HG GLN 32 1.608 3.875 -0.814 196 HG3 GLN 32 2HG GLN 32 0.152 3.534 0.119 197 HE21 GLN 32 1HE2 GLN 32 -0.176 2.783 -2.283 198 HE22 GLN 32 2HE2 GLN 32 -1.052 3.905 -3.261 199 H ARG 33 H ARG 33 0.579 6.694 3.322 200 HA ARG 33 HA ARG 33 2.014 9.008 3.139 201 HB2 ARG 33 1HB ARG 33 -0.045 8.752 4.471 202 HB3 ARG 33 2HB ARG 33 0.856 7.844 5.678 203 HG2 ARG 33 1HG ARG 33 2.290 9.865 6.006 204 HG3 ARG 33 2HG ARG 33 1.178 10.744 4.955 205 HD2 ARG 33 1HD ARG 33 -0.660 9.943 6.546 206 HD3 ARG 33 2HD ARG 33 0.652 9.529 7.649 207 HE ARG 33 HE ARG 33 0.732 12.235 6.654 208 HH11 ARG 33 1HH1 ARG 33 -0.449 10.102 9.138 209 HH12 ARG 33 2HH1 ARG 33 -0.658 11.365 10.306 210 HH21 ARG 33 1HH2 ARG 33 0.461 13.907 8.182 211 HH22 ARG 33 2HH2 ARG 33 -0.141 13.529 9.760 212 H LEU 34 H LEU 34 2.584 6.538 5.655 213 HA LEU 34 HA LEU 34 4.876 7.600 6.753 214 HB2 LEU 34 1HB LEU 34 5.200 5.570 7.792 215 HB3 LEU 34 2HB LEU 34 3.479 5.528 7.414 216 HG LEU 34 HG LEU 34 4.282 4.242 5.280 217 HD11 LEU 34 1HD1 LEU 34 6.733 4.714 6.285 218 HD12 LEU 34 2HD1 LEU 34 6.344 3.335 5.257 219 HD13 LEU 34 3HD1 LEU 34 6.398 3.141 7.009 220 HD21 LEU 34 3HD2 LEU 34 2.835 3.275 6.941 221 HD22 LEU 34 1HD2 LEU 34 4.190 3.047 8.047 222 HD23 LEU 34 2HD2 LEU 34 4.108 2.119 6.549 223 H HIS 35 H HIS 35 4.549 5.556 3.894 224 HA HIS 35 HA HIS 35 7.288 5.102 3.443 225 HB2 HIS 35 1HB HIS 35 4.806 4.925 1.813 226 HB3 HIS 35 2HB HIS 35 6.338 4.968 0.947 227 HD1 HIS 35 HD1 HIS 35 7.831 3.274 3.264 228 HD2 HIS 35 HD2 HIS 35 4.383 2.235 1.191 229 HE1 HIS 35 HE1 HIS 35 7.688 0.767 3.410 230 H THR 36 H THR 36 5.116 7.671 2.353 231 HA THR 36 HA THR 36 6.558 9.004 0.496 232 HB THR 36 HB THR 36 5.252 10.456 2.799 233 HG1 THR 36 HG1 THR 36 3.433 10.311 1.093 234 HG21 THR 36 3HG2 THR 36 6.586 11.448 0.626 235 HG22 THR 36 1HG2 THR 36 5.334 12.306 1.523 236 HG23 THR 36 2HG2 THR 36 4.918 11.423 0.054 237 H GLY 37 H GLY 37 7.029 9.284 4.013 238 HA2 GLY 37 1HA GLY 37 8.997 11.212 4.088 239 HA3 GLY 37 2HA GLY 37 8.889 9.877 5.226 240 H GLN 38 H GLN 38 11.340 10.831 4.689 241 HA GLN 38 HA GLN 38 12.763 9.883 2.531 242 HB2 GLN 38 1HB GLN 38 13.576 10.242 5.411 243 HB3 GLN 38 2HB GLN 38 14.723 9.773 4.163 244 HG2 GLN 38 1HG GLN 38 14.568 11.815 3.073 245 HG3 GLN 38 2HG GLN 38 13.033 12.217 3.840 246 HE21 GLN 38 1HE2 GLN 38 15.891 13.392 3.685 247 HE22 GLN 38 2HE2 GLN 38 16.205 13.855 5.320 248 H ARG 39 H ARG 39 12.373 8.225 5.667 249 HA ARG 39 HA ARG 39 12.461 6.027 6.246 250 HB2 ARG 39 1HB ARG 39 11.631 5.789 3.359 251 HB3 ARG 39 2HB ARG 39 11.838 4.378 4.389 252 HG2 ARG 39 1HG ARG 39 10.077 6.611 5.286 253 HG3 ARG 39 2HG ARG 39 9.490 5.451 4.093 254 HD2 ARG 39 1HD ARG 39 10.572 4.786 6.829 255 HD3 ARG 39 2HD ARG 39 8.871 4.793 6.365 256 HE ARG 39 HE ARG 39 10.285 3.079 4.647 257 HH11 ARG 39 1HH1 ARG 39 9.240 3.293 7.961 258 HH12 ARG 39 2HH1 ARG 39 9.141 1.577 8.177 259 HH21 ARG 39 1HH2 ARG 39 10.158 0.818 4.919 260 HH22 ARG 39 2HH2 ARG 39 9.665 0.170 6.447 261 HA PRO 40 HA PRO 40 16.717 5.831 4.192 262 HB2 PRO 40 1HB PRO 40 18.161 6.578 6.365 263 HB3 PRO 40 2HB PRO 40 17.537 7.734 5.183 264 HG2 PRO 40 1HG PRO 40 16.429 6.975 7.859 265 HG3 PRO 40 2HG PRO 40 16.579 8.583 7.126 266 HD2 PRO 40 1HD PRO 40 14.246 7.209 7.158 267 HD3 PRO 40 2HD PRO 40 14.688 8.310 5.837 268 H SER 41 H SER 41 17.816 3.958 4.264 269 HA SER 41 HA SER 41 17.019 1.739 5.629 270 HB2 SER 41 1HB SER 41 19.875 2.350 4.829 271 HB3 SER 41 2HB SER 41 19.195 0.748 5.113 272 HG SER 41 HG SER 41 18.113 0.854 3.259 273 H GLY 42 H GLY 42 19.901 3.646 6.542 274 HA2 GLY 42 1HA GLY 42 19.548 4.176 9.125 275 HA3 GLY 42 2HA GLY 42 19.840 2.444 9.197 276 HA PRO 43 HA PRO 43 23.826 5.109 8.848 277 HB2 PRO 43 1HB PRO 43 24.403 5.495 11.472 278 HB3 PRO 43 2HB PRO 43 23.461 6.645 10.517 279 HG2 PRO 43 1HG PRO 43 22.513 4.542 12.425 280 HG3 PRO 43 2HG PRO 43 21.954 6.214 12.235 281 HD2 PRO 43 1HD PRO 43 20.617 4.104 11.190 282 HD3 PRO 43 2HD PRO 43 20.637 5.700 10.414 283 H SER 44 H SER 44 25.978 4.474 9.818 284 HA SER 44 HA SER 44 26.080 1.578 9.991 285 HB2 SER 44 1HB SER 44 28.477 1.826 9.691 286 HB3 SER 44 2HB SER 44 27.641 2.839 8.515 287 HG SER 44 HG SER 44 28.301 4.001 10.957 288 H SER 45 H SER 45 27.050 0.414 11.672 289 HA SER 45 HA SER 45 26.394 0.983 14.235 290 HB2 SER 45 1HB SER 45 27.312 -1.191 13.456 291 HB3 SER 45 2HB SER 45 28.923 -0.473 13.425 292 HG SER 45 HG SER 45 27.471 -0.240 15.788 293 H GLY 46 H GLY 46 27.441 1.825 16.077 294 HA2 GLY 46 1HA GLY 46 29.658 2.810 16.839 295 HA3 GLY 46 2HA GLY 46 29.500 3.836 15.421 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -4.643 -27.589 -9.417 2 HA2 GLY 1 1HA GLY 1 -7.053 -27.090 -8.295 3 HA3 GLY 1 2HA GLY 1 -5.946 -26.307 -7.177 4 H SER 2 H SER 2 -7.381 -26.220 -10.335 5 HA SER 2 HA SER 2 -5.862 -23.909 -11.184 6 HB2 SER 2 1HB SER 2 -7.438 -23.976 -13.155 7 HB3 SER 2 2HB SER 2 -6.495 -25.447 -12.913 8 HG SER 2 HG SER 2 -9.212 -25.036 -12.722 9 H SER 3 H SER 3 -6.282 -22.131 -9.994 10 HA SER 3 HA SER 3 -8.897 -20.930 -10.250 11 HB2 SER 3 1HB SER 3 -9.049 -22.362 -8.185 12 HB3 SER 3 2HB SER 3 -7.775 -21.370 -7.475 13 HG SER 3 HG SER 3 -9.402 -19.599 -8.223 14 H GLY 4 H GLY 4 -8.498 -18.913 -10.849 15 HA2 GLY 4 1HA GLY 4 -7.685 -16.722 -10.093 16 HA3 GLY 4 2HA GLY 4 -6.193 -17.526 -9.625 17 H SER 5 H SER 5 -5.753 -15.432 -11.094 18 HA SER 5 HA SER 5 -5.723 -16.150 -13.919 19 HB2 SER 5 1HB SER 5 -4.906 -13.618 -12.477 20 HB3 SER 5 2HB SER 5 -4.813 -13.839 -14.224 21 HG SER 5 HG SER 5 -7.170 -14.424 -13.945 22 H SER 6 H SER 6 -3.715 -15.845 -15.170 23 HA SER 6 HA SER 6 -1.510 -17.154 -13.811 24 HB2 SER 6 1HB SER 6 -2.242 -16.625 -16.661 25 HB3 SER 6 2HB SER 6 -0.552 -16.941 -16.269 26 HG SER 6 HG SER 6 -1.509 -18.840 -15.081 27 H GLY 7 H GLY 7 -2.137 -14.116 -15.526 28 HA2 GLY 7 1HA GLY 7 0.394 -13.019 -15.561 29 HA3 GLY 7 2HA GLY 7 -1.082 -12.079 -15.393 30 H THR 8 H THR 8 -1.833 -11.544 -13.294 31 HA THR 8 HA THR 8 -1.326 -10.509 -11.293 32 HB THR 8 HB THR 8 -0.934 -12.126 -9.489 33 HG1 THR 8 HG1 THR 8 0.487 -13.428 -11.105 34 HG21 THR 8 3HG2 THR 8 -2.954 -13.270 -9.691 35 HG22 THR 8 1HG2 THR 8 -2.770 -13.488 -11.431 36 HG23 THR 8 2HG2 THR 8 -3.169 -11.898 -10.778 37 H GLY 9 H GLY 9 0.826 -10.196 -13.104 38 HA2 GLY 9 1HA GLY 9 3.321 -10.914 -11.969 39 HA3 GLY 9 2HA GLY 9 3.059 -9.657 -13.168 40 H GLU 10 H GLU 10 2.360 -7.541 -12.396 41 HA GLU 10 HA GLU 10 3.886 -6.732 -10.124 42 HB2 GLU 10 1HB GLU 10 2.126 -5.348 -12.107 43 HB3 GLU 10 2HB GLU 10 2.577 -4.504 -10.632 44 HG2 GLU 10 1HG GLU 10 4.845 -4.511 -11.178 45 HG3 GLU 10 2HG GLU 10 4.640 -5.769 -12.395 46 H LYS 11 H LYS 11 3.139 -5.776 -8.196 47 HA LYS 11 HA LYS 11 0.436 -6.646 -7.419 48 HB2 LYS 11 1HB LYS 11 2.986 -6.334 -5.852 49 HB3 LYS 11 2HB LYS 11 1.422 -6.393 -5.050 50 HG2 LYS 11 1HG LYS 11 1.000 -8.594 -5.992 51 HG3 LYS 11 2HG LYS 11 2.543 -8.534 -6.847 52 HD2 LYS 11 1HD LYS 11 3.727 -8.417 -4.712 53 HD3 LYS 11 2HD LYS 11 2.186 -8.456 -3.850 54 HE2 LYS 11 1HE LYS 11 2.928 -10.665 -3.765 55 HE3 LYS 11 2HE LYS 11 1.774 -10.661 -5.097 56 HZ1 LYS 11 3HZ LYS 11 3.390 -11.000 -6.621 57 HZ2 LYS 11 1HZ LYS 11 4.177 -11.715 -5.305 58 HZ3 LYS 11 2HZ LYS 11 4.563 -10.133 -5.763 59 HA PRO 12 HA PRO 12 0.263 -2.025 -7.481 60 HB2 PRO 12 1HB PRO 12 -2.248 -1.914 -8.507 61 HB3 PRO 12 2HB PRO 12 -0.803 -2.050 -9.516 62 HG2 PRO 12 1HG PRO 12 -2.709 -4.185 -8.640 63 HG3 PRO 12 2HG PRO 12 -1.976 -3.925 -10.233 64 HD2 PRO 12 1HD PRO 12 -1.048 -5.776 -8.488 65 HD3 PRO 12 2HD PRO 12 0.014 -4.913 -9.619 66 H TYR 13 H TYR 13 -2.260 -4.359 -6.571 67 HA TYR 13 HA TYR 13 -3.676 -2.648 -4.840 68 HB2 TYR 13 1HB TYR 13 -4.549 -4.817 -3.862 69 HB3 TYR 13 2HB TYR 13 -4.776 -4.617 -5.596 70 HD1 TYR 13 HD2 TYR 13 -3.535 -5.984 -7.180 71 HD2 TYR 13 HD1 TYR 13 -3.002 -6.472 -2.987 72 HE1 TYR 13 HE2 TYR 13 -2.406 -8.132 -7.579 73 HE2 TYR 13 HE1 TYR 13 -1.871 -8.621 -3.375 74 HH TYR 13 HH TYR 13 -0.735 -9.823 -5.077 75 H LYS 14 H LYS 14 -0.937 -4.797 -4.335 76 HA LYS 14 HA LYS 14 -0.878 -4.132 -1.487 77 HB2 LYS 14 1HB LYS 14 0.323 -6.260 -3.183 78 HB3 LYS 14 2HB LYS 14 1.220 -5.768 -1.753 79 HG2 LYS 14 1HG LYS 14 -1.669 -6.380 -1.445 80 HG3 LYS 14 2HG LYS 14 -0.548 -7.723 -1.687 81 HD2 LYS 14 1HD LYS 14 0.104 -5.635 0.342 82 HD3 LYS 14 2HD LYS 14 -1.109 -6.858 0.729 83 HE2 LYS 14 1HE LYS 14 0.838 -7.835 1.503 84 HE3 LYS 14 2HE LYS 14 0.684 -8.535 -0.108 85 HZ1 LYS 14 3HZ LYS 14 2.150 -6.069 -0.091 86 HZ2 LYS 14 1HZ LYS 14 2.557 -7.563 -0.773 87 HZ3 LYS 14 2HZ LYS 14 2.876 -7.264 0.861 88 H CYS 15 H CYS 15 1.322 -3.666 -0.548 89 HA CYS 15 HA CYS 15 2.452 -1.419 -1.944 90 HB2 CYS 15 1HB CYS 15 2.069 -1.641 0.589 91 HB3 CYS 15 2HB CYS 15 3.530 -2.623 0.598 92 H MET 16 H MET 16 4.110 -1.473 -3.301 93 HA MET 16 HA MET 16 5.674 -3.911 -3.556 94 HB2 MET 16 1HB MET 16 6.517 -2.940 -5.615 95 HB3 MET 16 2HB MET 16 4.764 -2.809 -5.571 96 HG2 MET 16 1HG MET 16 5.037 -0.458 -4.784 97 HG3 MET 16 2HG MET 16 6.768 -0.628 -5.064 98 HE1 MET 16 3HE MET 16 3.501 0.688 -7.114 99 HE2 MET 16 1HE MET 16 4.652 1.357 -5.957 100 HE3 MET 16 2HE MET 16 4.849 1.676 -7.681 101 H GLU 17 H GLU 17 5.896 -1.544 -1.473 102 HA GLU 17 HA GLU 17 8.781 -1.084 -1.772 103 HB2 GLU 17 1HB GLU 17 6.800 0.296 0.047 104 HB3 GLU 17 2HB GLU 17 8.496 0.720 -0.142 105 HG2 GLU 17 1HG GLU 17 8.173 1.710 -2.167 106 HG3 GLU 17 2HG GLU 17 6.790 0.693 -2.568 107 H CYS 18 H CYS 18 6.360 -2.009 0.661 108 HA CYS 18 HA CYS 18 8.513 -3.346 2.166 109 HB2 CYS 18 1HB CYS 18 7.213 -2.995 4.192 110 HB3 CYS 18 2HB CYS 18 7.487 -1.455 3.384 111 H GLY 19 H GLY 19 5.068 -3.524 1.307 112 HA2 GLY 19 1HA GLY 19 4.007 -5.473 0.495 113 HA3 GLY 19 2HA GLY 19 5.320 -6.435 1.157 114 H LYS 20 H LYS 20 2.752 -4.241 2.301 115 HA LYS 20 HA LYS 20 2.308 -6.108 4.538 116 HB2 LYS 20 1HB LYS 20 2.168 -3.115 4.384 117 HB3 LYS 20 2HB LYS 20 1.223 -3.981 5.588 118 HG2 LYS 20 1HG LYS 20 3.353 -5.048 6.360 119 HG3 LYS 20 2HG LYS 20 4.215 -3.947 5.283 120 HD2 LYS 20 1HD LYS 20 4.274 -2.835 7.323 121 HD3 LYS 20 2HD LYS 20 2.896 -2.090 6.508 122 HE2 LYS 20 1HE LYS 20 2.156 -2.527 8.695 123 HE3 LYS 20 2HE LYS 20 1.458 -3.810 7.707 124 HZ1 LYS 20 3HZ LYS 20 4.035 -4.489 8.766 125 HZ2 LYS 20 1HZ LYS 20 2.583 -5.356 8.819 126 HZ3 LYS 20 2HZ LYS 20 2.900 -4.167 9.978 127 H ALA 21 H ALA 21 0.117 -6.382 5.261 128 HA ALA 21 HA ALA 21 -1.827 -6.003 3.083 129 HB1 ALA 21 3HB ALA 21 -1.918 -8.244 3.322 130 HB2 ALA 21 1HB ALA 21 -1.313 -8.201 4.978 131 HB3 ALA 21 2HB ALA 21 -3.009 -7.846 4.649 132 H PHE 22 H PHE 22 -4.003 -5.451 3.622 133 HA PHE 22 HA PHE 22 -4.574 -4.525 6.308 134 HB2 PHE 22 1HB PHE 22 -4.823 -2.547 4.047 135 HB3 PHE 22 2HB PHE 22 -4.953 -2.246 5.777 136 HD1 PHE 22 HD2 PHE 22 -2.976 -2.068 7.163 137 HD2 PHE 22 HD1 PHE 22 -2.675 -2.766 2.975 138 HE1 PHE 22 HE2 PHE 22 -0.591 -1.470 7.238 139 HE2 PHE 22 HE1 PHE 22 -0.288 -2.171 3.044 140 HZ PHE 22 HZ PHE 22 0.756 -1.521 5.177 141 H GLY 23 H GLY 23 -6.612 -5.022 6.776 142 HA2 GLY 23 1HA GLY 23 -8.388 -5.920 4.682 143 HA3 GLY 23 2HA GLY 23 -8.706 -5.955 6.410 144 H ASP 24 H ASP 24 -7.776 -3.136 4.503 145 HA ASP 24 HA ASP 24 -10.446 -2.109 4.329 146 HB2 ASP 24 1HB ASP 24 -8.567 -0.620 6.165 147 HB3 ASP 24 2HB ASP 24 -10.265 -0.275 5.850 148 H ASN 25 H ASN 25 -10.353 -1.312 2.338 149 HA ASN 25 HA ASN 25 -8.151 -0.593 0.879 150 HB2 ASN 25 1HB ASN 25 -10.847 0.756 0.641 151 HB3 ASN 25 2HB ASN 25 -9.639 0.568 -0.627 152 HD21 ASN 25 1HD2 ASN 25 -9.512 -1.317 -1.742 153 HD22 ASN 25 2HD2 ASN 25 -10.621 -2.626 -1.542 154 H SER 26 H SER 26 -10.284 1.671 2.625 155 HA SER 26 HA SER 26 -9.025 4.038 2.143 156 HB2 SER 26 1HB SER 26 -11.093 3.747 3.513 157 HB3 SER 26 2HB SER 26 -10.084 3.206 4.855 158 HG SER 26 HG SER 26 -10.700 5.527 4.752 159 H SER 27 H SER 27 -8.228 1.810 4.808 160 HA SER 27 HA SER 27 -6.031 3.273 5.774 161 HB2 SER 27 1HB SER 27 -6.838 0.381 6.017 162 HB3 SER 27 2HB SER 27 -5.354 0.988 6.752 163 HG SER 27 HG SER 27 -7.718 2.398 7.218 164 H CYS 28 H CYS 28 -6.132 0.421 3.642 165 HA CYS 28 HA CYS 28 -3.570 -0.146 3.159 166 HB2 CYS 28 1HB CYS 28 -5.389 -1.218 1.939 167 HB3 CYS 28 2HB CYS 28 -5.670 0.256 1.020 168 HG CYS 28 HG CYS 28 -4.335 -0.774 -0.934 169 H THR 29 H THR 29 -5.249 2.665 1.812 170 HA THR 29 HA THR 29 -2.985 3.603 0.343 171 HB THR 29 HB THR 29 -5.413 5.185 1.203 172 HG1 THR 29 HG1 THR 29 -6.362 3.752 -0.063 173 HG21 THR 29 3HG2 THR 29 -4.856 6.733 -0.461 174 HG22 THR 29 1HG2 THR 29 -3.741 5.621 -1.254 175 HG23 THR 29 2HG2 THR 29 -3.306 6.354 0.290 176 H GLN 30 H GLN 30 -4.516 4.577 3.401 177 HA GLN 30 HA GLN 30 -2.902 6.729 4.043 178 HB2 GLN 30 1HB GLN 30 -4.968 5.609 5.264 179 HB3 GLN 30 2HB GLN 30 -3.701 4.849 6.218 180 HG2 GLN 30 1HG GLN 30 -3.997 7.818 5.830 181 HG3 GLN 30 2HG GLN 30 -4.603 6.919 7.220 182 HE21 GLN 30 1HE2 GLN 30 -2.441 9.028 6.710 183 HE22 GLN 30 2HE2 GLN 30 -1.071 8.411 7.563 184 H HIS 31 H HIS 31 -2.181 3.338 4.114 185 HA HIS 31 HA HIS 31 -0.019 3.318 5.892 186 HB2 HIS 31 1HB HIS 31 -0.679 1.184 5.333 187 HB3 HIS 31 2HB HIS 31 -0.909 1.585 3.634 188 HD1 HIS 31 HD1 HIS 31 1.683 0.472 6.078 189 HD2 HIS 31 HD2 HIS 31 1.375 1.335 2.026 190 HE1 HIS 31 HE1 HIS 31 3.802 -0.402 5.042 191 H GLN 32 H GLN 32 -0.326 4.880 2.933 192 HA GLN 32 HA GLN 32 2.289 4.653 1.898 193 HB2 GLN 32 1HB GLN 32 1.725 6.456 0.457 194 HB3 GLN 32 2HB GLN 32 0.253 5.521 0.682 195 HG2 GLN 32 1HG GLN 32 -0.429 7.166 2.431 196 HG3 GLN 32 2HG GLN 32 0.966 8.140 1.973 197 HE21 GLN 32 1HE2 GLN 32 1.092 8.680 -0.383 198 HE22 GLN 32 2HE2 GLN 32 -0.385 9.094 -1.177 199 H ARG 33 H ARG 33 0.917 6.573 4.442 200 HA ARG 33 HA ARG 33 2.596 8.718 4.659 201 HB2 ARG 33 1HB ARG 33 2.097 8.777 6.994 202 HB3 ARG 33 2HB ARG 33 0.673 8.152 6.173 203 HG2 ARG 33 1HG ARG 33 0.903 6.063 7.060 204 HG3 ARG 33 2HG ARG 33 2.654 6.206 7.225 205 HD2 ARG 33 1HD ARG 33 2.058 6.384 9.418 206 HD3 ARG 33 2HD ARG 33 1.974 8.084 8.957 207 HE ARG 33 HE ARG 33 -0.534 6.926 8.518 208 HH11 ARG 33 1HH1 ARG 33 1.584 7.745 11.158 209 HH12 ARG 33 2HH1 ARG 33 0.294 7.986 12.289 210 HH21 ARG 33 1HH2 ARG 33 -2.241 7.240 9.999 211 HH22 ARG 33 2HH2 ARG 33 -1.881 7.698 11.629 212 H LEU 34 H LEU 34 3.414 5.403 4.975 213 HA LEU 34 HA LEU 34 5.779 5.759 6.548 214 HB2 LEU 34 1HB LEU 34 4.590 3.524 4.967 215 HB3 LEU 34 2HB LEU 34 6.267 3.414 5.498 216 HG LEU 34 HG LEU 34 3.961 3.861 7.384 217 HD11 LEU 34 1HD1 LEU 34 3.906 1.546 7.839 218 HD12 LEU 34 2HD1 LEU 34 5.344 1.243 6.864 219 HD13 LEU 34 3HD1 LEU 34 3.829 1.699 6.084 220 HD21 LEU 34 3HD2 LEU 34 5.487 3.413 9.102 221 HD22 LEU 34 1HD2 LEU 34 6.362 4.480 8.004 222 HD23 LEU 34 2HD2 LEU 34 6.682 2.746 7.988 223 H HIS 35 H HIS 35 5.155 5.215 3.090 224 HA HIS 35 HA HIS 35 7.926 6.034 2.532 225 HB2 HIS 35 1HB HIS 35 6.206 4.798 0.430 226 HB3 HIS 35 2HB HIS 35 7.945 4.666 0.677 227 HD1 HIS 35 HD1 HIS 35 8.781 2.820 2.261 228 HD2 HIS 35 HD2 HIS 35 4.648 2.953 1.865 229 HE1 HIS 35 HE1 HIS 35 7.939 0.683 3.284 230 H THR 36 H THR 36 5.324 7.628 2.970 231 HA THR 36 HA THR 36 4.691 8.877 0.505 232 HB THR 36 HB THR 36 3.242 8.906 2.565 233 HG1 THR 36 HG1 THR 36 2.376 10.844 1.965 234 HG21 THR 36 3HG2 THR 36 4.865 9.475 4.248 235 HG22 THR 36 1HG2 THR 36 3.671 10.770 4.166 236 HG23 THR 36 2HG2 THR 36 5.257 10.984 3.423 237 H GLY 37 H GLY 37 7.339 9.191 2.640 238 HA2 GLY 37 1HA GLY 37 9.298 10.394 2.215 239 HA3 GLY 37 2HA GLY 37 8.440 11.314 0.987 240 H GLN 38 H GLN 38 7.538 10.829 4.375 241 HA GLN 38 HA GLN 38 7.749 13.743 4.744 242 HB2 GLN 38 1HB GLN 38 5.819 11.726 5.862 243 HB3 GLN 38 2HB GLN 38 6.055 13.290 6.630 244 HG2 GLN 38 1HG GLN 38 5.353 13.052 3.727 245 HG3 GLN 38 2HG GLN 38 4.122 13.044 4.989 246 HE21 GLN 38 1HE2 GLN 38 3.171 14.948 5.005 247 HE22 GLN 38 2HE2 GLN 38 3.963 16.482 4.947 248 H ARG 39 H ARG 39 9.856 13.790 5.504 249 HA ARG 39 HA ARG 39 10.179 12.818 8.243 250 HB2 ARG 39 1HB ARG 39 12.106 12.267 5.984 251 HB3 ARG 39 2HB ARG 39 12.520 12.084 7.683 252 HG2 ARG 39 1HG ARG 39 11.248 10.209 7.938 253 HG3 ARG 39 2HG ARG 39 10.111 10.675 6.670 254 HD2 ARG 39 1HD ARG 39 11.225 8.987 5.604 255 HD3 ARG 39 2HD ARG 39 12.224 10.360 5.130 256 HE ARG 39 HE ARG 39 13.086 9.043 7.543 257 HH11 ARG 39 1HH1 ARG 39 13.310 9.136 4.070 258 HH12 ARG 39 2HH1 ARG 39 14.849 8.343 4.018 259 HH21 ARG 39 1HH2 ARG 39 15.112 7.998 7.488 260 HH22 ARG 39 2HH2 ARG 39 15.873 7.696 5.963 261 HA PRO 40 HA PRO 40 11.973 16.761 8.957 262 HB2 PRO 40 1HB PRO 40 13.691 16.189 10.980 263 HB3 PRO 40 2HB PRO 40 11.937 16.235 11.194 264 HG2 PRO 40 1HG PRO 40 13.736 13.875 10.802 265 HG3 PRO 40 2HG PRO 40 12.378 14.072 11.924 266 HD2 PRO 40 1HD PRO 40 12.155 12.716 9.591 267 HD3 PRO 40 2HD PRO 40 10.806 13.629 10.298 268 H SER 41 H SER 41 13.622 14.324 7.477 269 HA SER 41 HA SER 41 16.294 14.776 7.598 270 HB2 SER 41 1HB SER 41 14.583 14.237 5.168 271 HB3 SER 41 2HB SER 41 16.345 14.228 5.117 272 HG SER 41 HG SER 41 15.984 12.694 7.038 273 H GLY 42 H GLY 42 17.295 16.681 7.736 274 HA2 GLY 42 1HA GLY 42 17.042 18.546 5.515 275 HA3 GLY 42 2HA GLY 42 16.584 19.170 7.093 276 HA PRO 43 HA PRO 43 21.077 20.049 6.540 277 HB2 PRO 43 1HB PRO 43 20.948 22.536 7.620 278 HB3 PRO 43 2HB PRO 43 20.613 22.211 5.915 279 HG2 PRO 43 1HG PRO 43 18.696 22.593 8.183 280 HG3 PRO 43 2HG PRO 43 18.618 23.235 6.532 281 HD2 PRO 43 1HD PRO 43 17.188 21.077 7.324 282 HD3 PRO 43 2HD PRO 43 17.800 21.262 5.668 283 H SER 44 H SER 44 19.006 19.403 9.036 284 HA SER 44 HA SER 44 21.208 19.438 10.980 285 HB2 SER 44 1HB SER 44 19.886 21.306 11.649 286 HB3 SER 44 2HB SER 44 18.383 20.413 11.419 287 HG SER 44 HG SER 44 18.749 19.292 13.244 288 H SER 45 H SER 45 20.990 17.878 12.702 289 HA SER 45 HA SER 45 19.782 15.423 11.754 290 HB2 SER 45 1HB SER 45 21.466 15.994 14.205 291 HB3 SER 45 2HB SER 45 20.944 14.390 13.688 292 HG SER 45 HG SER 45 22.331 16.051 11.897 293 H GLY 46 H GLY 46 17.613 15.405 12.041 294 HA2 GLY 46 1HA GLY 46 15.608 15.237 13.145 295 HA3 GLY 46 2HA GLY 46 16.547 14.901 14.593 Start of MODEL 3 1 H1 GLY 1 H GLY 1 12.322 -25.176 -2.325 2 HA2 GLY 1 1HA GLY 1 11.053 -26.891 -1.379 3 HA3 GLY 1 2HA GLY 1 11.811 -26.231 0.063 4 H SER 2 H SER 2 9.215 -24.980 -2.023 5 HA SER 2 HA SER 2 7.558 -24.689 0.390 6 HB2 SER 2 1HB SER 2 7.300 -23.274 -2.275 7 HB3 SER 2 2HB SER 2 6.332 -22.961 -0.835 8 HG SER 2 HG SER 2 8.028 -22.025 0.126 9 H SER 3 H SER 3 5.544 -25.563 0.506 10 HA SER 3 HA SER 3 4.952 -27.813 -1.078 11 HB2 SER 3 1HB SER 3 3.067 -26.243 0.697 12 HB3 SER 3 2HB SER 3 2.840 -27.902 0.144 13 HG SER 3 HG SER 3 5.113 -28.052 1.233 14 H GLY 4 H GLY 4 3.496 -24.565 -1.002 15 HA2 GLY 4 1HA GLY 4 3.066 -23.618 -3.277 16 HA3 GLY 4 2HA GLY 4 2.306 -25.160 -3.642 17 H SER 5 H SER 5 0.262 -24.457 -4.055 18 HA SER 5 HA SER 5 -1.283 -23.599 -1.742 19 HB2 SER 5 1HB SER 5 -1.405 -22.064 -4.347 20 HB3 SER 5 2HB SER 5 -2.315 -21.722 -2.876 21 HG SER 5 HG SER 5 0.057 -21.672 -2.013 22 H SER 6 H SER 6 -3.339 -24.367 -1.740 23 HA SER 6 HA SER 6 -4.100 -26.586 -3.064 24 HB2 SER 6 1HB SER 6 -5.904 -24.314 -2.200 25 HB3 SER 6 2HB SER 6 -6.474 -25.924 -2.637 26 HG SER 6 HG SER 6 -4.917 -26.641 -0.940 27 H GLY 7 H GLY 7 -4.785 -23.270 -4.157 28 HA2 GLY 7 1HA GLY 7 -4.627 -24.061 -6.910 29 HA3 GLY 7 2HA GLY 7 -6.280 -23.749 -6.401 30 H THR 8 H THR 8 -6.990 -21.687 -6.247 31 HA THR 8 HA THR 8 -5.140 -19.608 -7.140 32 HB THR 8 HB THR 8 -7.132 -18.239 -7.541 33 HG1 THR 8 HG1 THR 8 -8.527 -20.501 -6.506 34 HG21 THR 8 3HG2 THR 8 -8.271 -20.393 -8.934 35 HG22 THR 8 1HG2 THR 8 -6.548 -20.746 -8.826 36 HG23 THR 8 2HG2 THR 8 -7.094 -19.228 -9.538 37 H GLY 9 H GLY 9 -4.304 -18.165 -5.782 38 HA2 GLY 9 1HA GLY 9 -5.766 -17.024 -3.619 39 HA3 GLY 9 2HA GLY 9 -4.608 -18.210 -3.035 40 H GLU 10 H GLU 10 -4.719 -15.477 -5.326 41 HA GLU 10 HA GLU 10 -2.033 -14.718 -4.389 42 HB2 GLU 10 1HB GLU 10 -1.839 -13.467 -6.518 43 HB3 GLU 10 2HB GLU 10 -2.076 -15.192 -6.760 44 HG2 GLU 10 1HG GLU 10 -4.563 -14.609 -7.009 45 HG3 GLU 10 2HG GLU 10 -4.004 -12.950 -7.215 46 H LYS 11 H LYS 11 -1.572 -12.422 -4.205 47 HA LYS 11 HA LYS 11 -3.962 -10.815 -3.583 48 HB2 LYS 11 1HB LYS 11 -1.362 -10.942 -2.045 49 HB3 LYS 11 2HB LYS 11 -2.639 -9.770 -1.745 50 HG2 LYS 11 1HG LYS 11 -4.148 -11.481 -1.053 51 HG3 LYS 11 2HG LYS 11 -3.030 -12.747 -1.565 52 HD2 LYS 11 1HD LYS 11 -1.442 -12.073 0.140 53 HD3 LYS 11 2HD LYS 11 -2.487 -10.732 0.616 54 HE2 LYS 11 1HE LYS 11 -2.958 -12.365 2.202 55 HE3 LYS 11 2HE LYS 11 -4.263 -12.551 1.032 56 HZ1 LYS 11 3HZ LYS 11 -2.868 -14.594 1.903 57 HZ2 LYS 11 1HZ LYS 11 -1.854 -14.150 0.623 58 HZ3 LYS 11 2HZ LYS 11 -3.473 -14.538 0.324 59 HA PRO 12 HA PRO 12 -1.415 -8.565 -6.708 60 HB2 PRO 12 1HB PRO 12 -3.552 -7.643 -8.104 61 HB3 PRO 12 2HB PRO 12 -2.833 -9.232 -8.388 62 HG2 PRO 12 1HG PRO 12 -5.266 -8.511 -6.799 63 HG3 PRO 12 2HG PRO 12 -5.026 -9.856 -7.930 64 HD2 PRO 12 1HD PRO 12 -4.891 -10.169 -5.244 65 HD3 PRO 12 2HD PRO 12 -3.914 -11.136 -6.368 66 H TYR 13 H TYR 13 -3.327 -7.805 -4.139 67 HA TYR 13 HA TYR 13 -3.115 -4.908 -4.637 68 HB2 TYR 13 1HB TYR 13 -4.880 -4.825 -2.732 69 HB3 TYR 13 2HB TYR 13 -5.398 -5.280 -4.351 70 HD1 TYR 13 HD1 TYR 13 -3.843 -7.136 -1.497 71 HD2 TYR 13 HD2 TYR 13 -7.046 -6.885 -4.286 72 HE1 TYR 13 HE1 TYR 13 -4.778 -9.228 -0.602 73 HE2 TYR 13 HE2 TYR 13 -7.990 -8.976 -3.399 74 HH TYR 13 HH TYR 13 -7.492 -10.206 -0.668 75 H LYS 14 H LYS 14 -0.887 -6.299 -3.763 76 HA LYS 14 HA LYS 14 -0.723 -5.710 -0.890 77 HB2 LYS 14 1HB LYS 14 0.689 -7.596 -2.706 78 HB3 LYS 14 2HB LYS 14 1.607 -6.933 -1.360 79 HG2 LYS 14 1HG LYS 14 -1.080 -8.090 -0.822 80 HG3 LYS 14 2HG LYS 14 0.276 -9.179 -1.125 81 HD2 LYS 14 1HD LYS 14 0.669 -6.955 0.810 82 HD3 LYS 14 2HD LYS 14 -0.317 -8.329 1.314 83 HE2 LYS 14 1HE LYS 14 1.777 -9.008 1.983 84 HE3 LYS 14 2HE LYS 14 1.678 -9.731 0.378 85 HZ1 LYS 14 3HZ LYS 14 3.682 -8.142 1.255 86 HZ2 LYS 14 1HZ LYS 14 2.733 -7.056 0.370 87 HZ3 LYS 14 2HZ LYS 14 3.329 -8.455 -0.370 88 H CYS 15 H CYS 15 1.452 -4.857 -0.162 89 HA CYS 15 HA CYS 15 2.007 -2.444 -1.631 90 HB2 CYS 15 1HB CYS 15 1.901 -2.589 0.882 91 HB3 CYS 15 2HB CYS 15 3.418 -3.481 0.832 92 H MET 16 H MET 16 3.750 -1.969 -2.855 93 HA MET 16 HA MET 16 5.540 -4.172 -3.523 94 HB2 MET 16 1HB MET 16 4.482 -2.988 -5.371 95 HB3 MET 16 2HB MET 16 5.149 -1.462 -4.806 96 HG2 MET 16 1HG MET 16 7.005 -3.699 -5.443 97 HG3 MET 16 2HG MET 16 6.269 -2.788 -6.761 98 HE1 MET 16 3HE MET 16 5.894 -0.286 -6.335 99 HE2 MET 16 1HE MET 16 7.074 0.810 -5.615 100 HE3 MET 16 2HE MET 16 7.359 0.140 -7.221 101 H GLU 17 H GLU 17 5.589 -0.987 -2.066 102 HA GLU 17 HA GLU 17 8.330 -0.479 -2.103 103 HB2 GLU 17 1HB GLU 17 6.820 1.257 -1.445 104 HB3 GLU 17 2HB GLU 17 6.199 0.294 -0.112 105 HG2 GLU 17 1HG GLU 17 7.623 1.932 0.819 106 HG3 GLU 17 2HG GLU 17 8.481 0.395 0.908 107 H CYS 18 H CYS 18 6.458 -1.779 0.645 108 HA CYS 18 HA CYS 18 8.906 -3.167 1.522 109 HB2 CYS 18 1HB CYS 18 8.075 -3.000 3.808 110 HB3 CYS 18 2HB CYS 18 8.160 -1.400 3.077 111 H GLY 19 H GLY 19 5.358 -3.388 1.440 112 HA2 GLY 19 1HA GLY 19 4.313 -5.393 0.584 113 HA3 GLY 19 2HA GLY 19 5.655 -6.315 1.246 114 H LYS 20 H LYS 20 2.597 -4.832 1.891 115 HA LYS 20 HA LYS 20 2.405 -6.345 4.371 116 HB2 LYS 20 1HB LYS 20 3.202 -4.216 5.177 117 HB3 LYS 20 2HB LYS 20 2.007 -3.354 4.216 118 HG2 LYS 20 1HG LYS 20 0.244 -4.549 5.581 119 HG3 LYS 20 2HG LYS 20 1.554 -5.050 6.652 120 HD2 LYS 20 1HD LYS 20 2.150 -2.548 6.746 121 HD3 LYS 20 2HD LYS 20 0.534 -2.285 6.087 122 HE2 LYS 20 1HE LYS 20 -0.511 -3.119 7.980 123 HE3 LYS 20 2HE LYS 20 0.911 -4.027 8.488 124 HZ1 LYS 20 3HZ LYS 20 0.285 -1.874 9.727 125 HZ2 LYS 20 1HZ LYS 20 0.991 -1.084 8.408 126 HZ3 LYS 20 2HZ LYS 20 1.910 -2.151 9.345 127 H ALA 21 H ALA 21 0.297 -6.870 4.960 128 HA ALA 21 HA ALA 21 -1.622 -6.742 2.802 129 HB1 ALA 21 3HB ALA 21 -2.667 -7.894 5.226 130 HB2 ALA 21 1HB ALA 21 -2.370 -8.650 3.660 131 HB3 ALA 21 2HB ALA 21 -1.074 -8.553 4.853 132 H PHE 22 H PHE 22 -3.941 -6.241 3.319 133 HA PHE 22 HA PHE 22 -4.425 -4.362 5.456 134 HB2 PHE 22 1HB PHE 22 -4.695 -3.409 2.599 135 HB3 PHE 22 2HB PHE 22 -5.016 -2.479 4.059 136 HD1 PHE 22 HD2 PHE 22 -3.183 -1.661 5.441 137 HD2 PHE 22 HD1 PHE 22 -2.460 -3.771 1.816 138 HE1 PHE 22 HE2 PHE 22 -0.854 -0.867 5.448 139 HE2 PHE 22 HE1 PHE 22 -0.129 -2.981 1.817 140 HZ PHE 22 HZ PHE 22 0.676 -1.526 3.634 141 H GLY 23 H GLY 23 -6.559 -4.240 5.995 142 HA2 GLY 23 1HA GLY 23 -8.327 -6.113 4.646 143 HA3 GLY 23 2HA GLY 23 -8.642 -5.289 6.166 144 H ASP 24 H ASP 24 -8.328 -2.653 5.460 145 HA ASP 24 HA ASP 24 -10.542 -2.291 3.554 146 HB2 ASP 24 1HB ASP 24 -10.718 -1.577 6.058 147 HB3 ASP 24 2HB ASP 24 -9.726 -0.211 5.556 148 H ASN 25 H ASN 25 -10.504 0.038 2.600 149 HA ASN 25 HA ASN 25 -8.018 0.269 1.154 150 HB2 ASN 25 1HB ASN 25 -10.384 2.126 0.936 151 HB3 ASN 25 2HB ASN 25 -9.162 1.773 -0.282 152 HD21 ASN 25 1HD2 ASN 25 -12.135 1.549 -0.253 153 HD22 ASN 25 2HD2 ASN 25 -12.460 -0.072 -0.755 154 H SER 26 H SER 26 -9.876 2.239 3.435 155 HA SER 26 HA SER 26 -8.510 4.592 3.443 156 HB2 SER 26 1HB SER 26 -9.121 4.838 5.803 157 HB3 SER 26 2HB SER 26 -10.450 4.119 4.894 158 HG SER 26 HG SER 26 -9.395 3.168 7.052 159 H SER 27 H SER 27 -7.588 1.657 5.224 160 HA SER 27 HA SER 27 -5.251 2.724 6.383 161 HB2 SER 27 1HB SER 27 -4.606 0.311 6.692 162 HB3 SER 27 2HB SER 27 -6.209 0.719 7.305 163 HG SER 27 HG SER 27 -5.570 -0.597 4.875 164 H CYS 28 H CYS 28 -5.876 1.164 3.301 165 HA CYS 28 HA CYS 28 -3.231 0.672 2.520 166 HB2 CYS 28 1HB CYS 28 -5.327 -0.175 1.394 167 HB3 CYS 28 2HB CYS 28 -5.501 1.421 0.673 168 HG CYS 28 HG CYS 28 -4.408 0.314 -1.433 169 H THR 29 H THR 29 -5.274 3.533 2.141 170 HA THR 29 HA THR 29 -3.335 4.995 0.629 171 HB THR 29 HB THR 29 -5.746 6.026 2.136 172 HG1 THR 29 HG1 THR 29 -6.427 6.068 -0.264 173 HG21 THR 29 3HG2 THR 29 -4.108 7.778 1.613 174 HG22 THR 29 1HG2 THR 29 -5.579 7.965 0.659 175 HG23 THR 29 2HG2 THR 29 -4.129 7.288 -0.081 176 H GLN 30 H GLN 30 -3.961 4.492 3.996 177 HA GLN 30 HA GLN 30 -2.514 6.800 4.909 178 HB2 GLN 30 1HB GLN 30 -4.064 6.150 6.486 179 HB3 GLN 30 2HB GLN 30 -3.803 4.436 6.193 180 HG2 GLN 30 1HG GLN 30 -2.979 4.944 8.362 181 HG3 GLN 30 2HG GLN 30 -1.593 4.647 7.313 182 HE21 GLN 30 1HE2 GLN 30 -3.655 7.360 8.313 183 HE22 GLN 30 2HE2 GLN 30 -2.361 8.480 8.544 184 H HIS 31 H HIS 31 -1.822 3.378 4.433 185 HA HIS 31 HA HIS 31 0.685 3.305 5.700 186 HB2 HIS 31 1HB HIS 31 -0.532 1.272 5.088 187 HB3 HIS 31 2HB HIS 31 -0.338 1.654 3.380 188 HD1 HIS 31 HD1 HIS 31 1.852 0.904 6.395 189 HD2 HIS 31 HD2 HIS 31 1.864 0.543 2.256 190 HE1 HIS 31 HE1 HIS 31 3.951 -0.363 5.837 191 H GLN 32 H GLN 32 -0.072 3.599 2.225 192 HA GLN 32 HA GLN 32 2.475 3.936 1.247 193 HB2 GLN 32 1HB GLN 32 1.496 4.989 -0.674 194 HB3 GLN 32 2HB GLN 32 0.388 3.743 -0.113 195 HG2 GLN 32 1HG GLN 32 -1.043 5.379 0.888 196 HG3 GLN 32 2HG GLN 32 0.114 6.664 0.547 197 HE21 GLN 32 1HE2 GLN 32 0.720 6.766 -1.862 198 HE22 GLN 32 2HE2 GLN 32 -0.607 6.700 -2.965 199 H ARG 33 H ARG 33 0.629 6.105 3.178 200 HA ARG 33 HA ARG 33 2.168 8.450 2.487 201 HB2 ARG 33 1HB ARG 33 -0.049 7.849 4.407 202 HB3 ARG 33 2HB ARG 33 0.901 9.314 4.617 203 HG2 ARG 33 1HG ARG 33 0.348 9.614 2.052 204 HG3 ARG 33 2HG ARG 33 -1.021 8.585 2.480 205 HD2 ARG 33 1HD ARG 33 -0.270 11.215 3.749 206 HD3 ARG 33 2HD ARG 33 -1.646 10.911 2.690 207 HE ARG 33 HE ARG 33 -1.418 10.237 5.494 208 HH11 ARG 33 1HH1 ARG 33 -3.121 9.725 2.501 209 HH12 ARG 33 2HH1 ARG 33 -4.561 9.145 3.269 210 HH21 ARG 33 1HH2 ARG 33 -3.309 9.474 6.517 211 HH22 ARG 33 2HH2 ARG 33 -4.667 9.003 5.553 212 H LEU 34 H LEU 34 2.151 5.998 4.984 213 HA LEU 34 HA LEU 34 3.916 7.340 6.768 214 HB2 LEU 34 1HB LEU 34 3.049 4.483 6.461 215 HB3 LEU 34 2HB LEU 34 4.248 4.964 7.660 216 HG LEU 34 HG LEU 34 1.468 6.118 7.552 217 HD11 LEU 34 1HD1 LEU 34 1.546 4.488 9.744 218 HD12 LEU 34 2HD1 LEU 34 2.402 3.532 8.535 219 HD13 LEU 34 3HD1 LEU 34 0.765 4.102 8.211 220 HD21 LEU 34 3HD2 LEU 34 1.982 7.227 9.458 221 HD22 LEU 34 1HD2 LEU 34 3.612 7.120 8.794 222 HD23 LEU 34 2HD2 LEU 34 3.085 5.972 10.024 223 H HIS 35 H HIS 35 4.370 5.695 3.819 224 HA HIS 35 HA HIS 35 6.992 4.700 4.217 225 HB2 HIS 35 1HB HIS 35 5.233 5.217 1.874 226 HB3 HIS 35 2HB HIS 35 6.960 5.059 1.567 227 HD1 HIS 35 HD1 HIS 35 7.296 2.835 3.890 228 HD2 HIS 35 HD2 HIS 35 4.662 2.759 0.678 229 HE1 HIS 35 HE1 HIS 35 6.747 0.408 3.528 230 H THR 36 H THR 36 5.735 7.756 2.953 231 HA THR 36 HA THR 36 8.467 8.797 2.746 232 HB THR 36 HB THR 36 7.045 9.159 0.792 233 HG1 THR 36 HG1 THR 36 7.225 11.713 1.951 234 HG21 THR 36 3HG2 THR 36 4.982 9.446 2.516 235 HG22 THR 36 1HG2 THR 36 4.945 9.998 0.842 236 HG23 THR 36 2HG2 THR 36 5.320 11.135 2.138 237 H GLY 37 H GLY 37 5.440 9.261 4.463 238 HA2 GLY 37 1HA GLY 37 5.779 11.711 5.651 239 HA3 GLY 37 2HA GLY 37 5.010 10.346 6.446 240 H GLN 38 H GLN 38 6.290 8.963 7.774 241 HA GLN 38 HA GLN 38 7.956 8.444 9.245 242 HB2 GLN 38 1HB GLN 38 9.383 9.168 7.139 243 HB3 GLN 38 2HB GLN 38 9.776 10.546 8.158 244 HG2 GLN 38 1HG GLN 38 11.381 8.603 8.222 245 HG3 GLN 38 2HG GLN 38 10.801 9.194 9.778 246 HE21 GLN 38 1HE2 GLN 38 9.872 7.803 11.130 247 HE22 GLN 38 2HE2 GLN 38 9.442 6.174 10.747 248 H ARG 39 H ARG 39 5.967 10.256 9.941 249 HA ARG 39 HA ARG 39 7.422 12.125 11.695 250 HB2 ARG 39 1HB ARG 39 4.707 12.405 10.404 251 HB3 ARG 39 2HB ARG 39 5.272 13.454 11.697 252 HG2 ARG 39 1HG ARG 39 7.324 13.770 10.066 253 HG3 ARG 39 2HG ARG 39 6.123 13.308 8.859 254 HD2 ARG 39 1HD ARG 39 4.760 15.146 9.346 255 HD3 ARG 39 2HD ARG 39 5.552 15.435 10.894 256 HE ARG 39 HE ARG 39 7.243 15.753 8.571 257 HH11 ARG 39 1HH1 ARG 39 5.103 17.291 10.846 258 HH12 ARG 39 2HH1 ARG 39 5.741 18.879 10.571 259 HH21 ARG 39 1HH2 ARG 39 8.090 17.838 8.200 260 HH22 ARG 39 2HH2 ARG 39 7.439 19.189 9.065 261 HA PRO 40 HA PRO 40 5.361 9.021 14.418 262 HB2 PRO 40 1HB PRO 40 7.397 8.924 16.210 263 HB3 PRO 40 2HB PRO 40 7.362 7.940 14.742 264 HG2 PRO 40 1HG PRO 40 8.813 10.505 15.269 265 HG3 PRO 40 2HG PRO 40 9.385 9.045 14.441 266 HD2 PRO 40 1HD PRO 40 8.544 11.244 13.103 267 HD3 PRO 40 2HD PRO 40 8.333 9.600 12.467 268 H SER 41 H SER 41 3.960 9.697 15.908 269 HA SER 41 HA SER 41 4.467 12.252 17.261 270 HB2 SER 41 1HB SER 41 2.366 12.035 15.949 271 HB3 SER 41 2HB SER 41 1.869 10.717 17.009 272 HG SER 41 HG SER 41 1.880 13.436 17.452 273 H GLY 42 H GLY 42 5.909 11.334 18.819 274 HA2 GLY 42 1HA GLY 42 6.167 10.831 21.083 275 HA3 GLY 42 2HA GLY 42 4.490 10.309 21.133 276 HA PRO 43 HA PRO 43 6.928 6.563 19.304 277 HB2 PRO 43 1HB PRO 43 9.633 6.779 19.207 278 HB3 PRO 43 2HB PRO 43 8.581 7.277 17.877 279 HG2 PRO 43 1HG PRO 43 9.872 8.949 19.998 280 HG3 PRO 43 2HG PRO 43 9.719 9.268 18.260 281 HD2 PRO 43 1HD PRO 43 8.094 10.410 20.100 282 HD3 PRO 43 2HD PRO 43 7.546 10.009 18.460 283 H SER 44 H SER 44 8.027 8.452 21.980 284 HA SER 44 HA SER 44 9.606 6.723 23.420 285 HB2 SER 44 1HB SER 44 8.742 7.863 25.454 286 HB3 SER 44 2HB SER 44 9.173 8.996 24.173 287 HG SER 44 HG SER 44 6.547 8.054 24.701 288 H SER 45 H SER 45 6.081 6.774 23.183 289 HA SER 45 HA SER 45 5.997 4.246 24.692 290 HB2 SER 45 1HB SER 45 3.954 6.438 24.345 291 HB3 SER 45 2HB SER 45 3.510 4.834 24.926 292 HG SER 45 HG SER 45 5.165 5.172 26.575 293 H GLY 46 H GLY 46 6.760 4.169 22.022 294 HA2 GLY 46 1HA GLY 46 4.933 2.282 20.977 295 HA3 GLY 46 2HA GLY 46 4.720 3.819 20.150 Start of MODEL 4 1 H1 GLY 1 H GLY 1 2.293 9.075 -13.307 2 HA2 GLY 1 1HA GLY 1 0.464 6.994 -14.201 3 HA3 GLY 1 2HA GLY 1 0.508 8.449 -15.185 4 H SER 2 H SER 2 2.104 5.520 -14.344 5 HA SER 2 HA SER 2 4.316 6.177 -16.175 6 HB2 SER 2 1HB SER 2 4.726 5.470 -13.690 7 HB3 SER 2 2HB SER 2 4.393 3.845 -14.288 8 HG SER 2 HG SER 2 6.657 4.562 -14.326 9 H SER 3 H SER 3 3.302 5.627 -18.094 10 HA SER 3 HA SER 3 2.405 2.840 -18.366 11 HB2 SER 3 1HB SER 3 1.246 3.586 -20.404 12 HB3 SER 3 2HB SER 3 0.747 4.538 -19.006 13 HG SER 3 HG SER 3 2.895 5.490 -20.502 14 H GLY 4 H GLY 4 3.134 1.561 -20.101 15 HA2 GLY 4 1HA GLY 4 4.677 2.056 -22.228 16 HA3 GLY 4 2HA GLY 4 5.849 2.193 -20.925 17 H SER 5 H SER 5 6.871 0.400 -20.322 18 HA SER 5 HA SER 5 5.650 -2.191 -21.019 19 HB2 SER 5 1HB SER 5 7.585 -1.588 -22.484 20 HB3 SER 5 2HB SER 5 8.610 -1.553 -21.049 21 HG SER 5 HG SER 5 8.347 -3.598 -22.429 22 H SER 6 H SER 6 5.214 -1.004 -18.557 23 HA SER 6 HA SER 6 6.710 -2.816 -16.792 24 HB2 SER 6 1HB SER 6 7.612 -0.531 -16.523 25 HB3 SER 6 2HB SER 6 5.994 0.052 -16.135 26 HG SER 6 HG SER 6 7.802 -1.138 -14.531 27 H GLY 7 H GLY 7 5.488 -3.949 -15.393 28 HA2 GLY 7 1HA GLY 7 3.406 -3.548 -13.889 29 HA3 GLY 7 2HA GLY 7 2.597 -3.435 -15.445 30 H THR 8 H THR 8 4.674 -5.594 -13.535 31 HA THR 8 HA THR 8 3.230 -7.869 -14.732 32 HB THR 8 HB THR 8 6.111 -7.842 -13.811 33 HG1 THR 8 HG1 THR 8 6.625 -7.775 -15.940 34 HG21 THR 8 3HG2 THR 8 4.226 -9.986 -14.535 35 HG22 THR 8 1HG2 THR 8 5.682 -10.044 -13.543 36 HG23 THR 8 2HG2 THR 8 5.811 -10.084 -15.301 37 H GLY 9 H GLY 9 1.815 -8.506 -13.217 38 HA2 GLY 9 1HA GLY 9 1.834 -10.028 -11.224 39 HA3 GLY 9 2HA GLY 9 2.813 -8.792 -10.450 40 H GLU 10 H GLU 10 0.487 -9.694 -9.280 41 HA GLU 10 HA GLU 10 -1.359 -7.432 -9.677 42 HB2 GLU 10 1HB GLU 10 -3.111 -8.897 -8.698 43 HB3 GLU 10 2HB GLU 10 -2.458 -9.511 -10.211 44 HG2 GLU 10 1HG GLU 10 -0.922 -10.947 -8.785 45 HG3 GLU 10 2HG GLU 10 -1.957 -10.506 -7.428 46 H LYS 11 H LYS 11 -1.059 -5.948 -8.157 47 HA LYS 11 HA LYS 11 -0.829 -6.833 -5.365 48 HB2 LYS 11 1HB LYS 11 0.850 -4.723 -6.727 49 HB3 LYS 11 2HB LYS 11 0.761 -4.922 -4.982 50 HG2 LYS 11 1HG LYS 11 2.658 -6.104 -5.462 51 HG3 LYS 11 2HG LYS 11 1.446 -7.385 -5.524 52 HD2 LYS 11 1HD LYS 11 1.387 -7.313 -7.911 53 HD3 LYS 11 2HD LYS 11 2.375 -5.851 -7.947 54 HE2 LYS 11 1HE LYS 11 4.104 -7.346 -6.679 55 HE3 LYS 11 2HE LYS 11 3.170 -8.672 -7.370 56 HZ1 LYS 11 3HZ LYS 11 4.905 -6.738 -8.687 57 HZ2 LYS 11 1HZ LYS 11 3.506 -7.189 -9.526 58 HZ3 LYS 11 2HZ LYS 11 4.625 -8.366 -9.052 59 HA PRO 12 HA PRO 12 -4.129 -3.581 -6.114 60 HB2 PRO 12 1HB PRO 12 -6.189 -5.041 -5.119 61 HB3 PRO 12 2HB PRO 12 -5.699 -5.104 -6.816 62 HG2 PRO 12 1HG PRO 12 -5.053 -6.994 -4.586 63 HG3 PRO 12 2HG PRO 12 -5.520 -7.354 -6.259 64 HD2 PRO 12 1HD PRO 12 -2.949 -7.443 -5.413 65 HD3 PRO 12 2HD PRO 12 -3.395 -6.975 -7.067 66 H TYR 13 H TYR 13 -3.865 -5.878 -3.401 67 HA TYR 13 HA TYR 13 -4.135 -3.591 -1.561 68 HB2 TYR 13 1HB TYR 13 -5.325 -4.951 -0.011 69 HB3 TYR 13 2HB TYR 13 -6.080 -5.212 -1.579 70 HD1 TYR 13 HD2 TYR 13 -5.795 -7.340 -2.758 71 HD2 TYR 13 HD1 TYR 13 -4.123 -6.720 1.105 72 HE1 TYR 13 HE2 TYR 13 -5.470 -9.766 -2.516 73 HE2 TYR 13 HE1 TYR 13 -3.792 -9.145 1.357 74 HH TYR 13 HH TYR 13 -4.550 -11.386 -1.278 75 H LYS 14 H LYS 14 -1.742 -4.883 -2.770 76 HA LYS 14 HA LYS 14 -0.377 -5.560 -0.251 77 HB2 LYS 14 1HB LYS 14 -0.727 -7.571 -1.689 78 HB3 LYS 14 2HB LYS 14 0.221 -6.788 -2.948 79 HG2 LYS 14 1HG LYS 14 1.709 -8.241 -1.884 80 HG3 LYS 14 2HG LYS 14 2.092 -6.646 -1.230 81 HD2 LYS 14 1HD LYS 14 1.216 -7.137 0.839 82 HD3 LYS 14 2HD LYS 14 0.106 -8.351 0.200 83 HE2 LYS 14 1HE LYS 14 1.821 -9.462 1.460 84 HE3 LYS 14 2HE LYS 14 2.058 -9.818 -0.250 85 HZ1 LYS 14 3HZ LYS 14 4.163 -9.316 0.693 86 HZ2 LYS 14 1HZ LYS 14 3.589 -7.893 1.408 87 HZ3 LYS 14 2HZ LYS 14 3.730 -7.997 -0.274 88 H CYS 15 H CYS 15 0.911 -3.899 0.199 89 HA CYS 15 HA CYS 15 1.785 -1.925 -1.524 90 HB2 CYS 15 1HB CYS 15 1.952 -1.524 0.809 91 HB3 CYS 15 2HB CYS 15 2.945 -2.956 1.061 92 H MET 16 H MET 16 3.666 -1.538 -2.678 93 HA MET 16 HA MET 16 5.110 -3.947 -3.487 94 HB2 MET 16 1HB MET 16 4.111 -2.540 -5.244 95 HB3 MET 16 2HB MET 16 5.091 -1.181 -4.710 96 HG2 MET 16 1HG MET 16 7.037 -2.077 -5.549 97 HG3 MET 16 2HG MET 16 6.417 -3.726 -5.511 98 HE1 MET 16 3HE MET 16 6.845 -0.469 -7.541 99 HE2 MET 16 1HE MET 16 7.944 -1.812 -7.857 100 HE3 MET 16 2HE MET 16 6.839 -1.262 -9.117 101 H GLU 17 H GLU 17 5.634 -0.783 -2.050 102 HA GLU 17 HA GLU 17 8.385 -0.583 -2.165 103 HB2 GLU 17 1HB GLU 17 7.090 1.242 -1.312 104 HB3 GLU 17 2HB GLU 17 6.467 0.261 0.007 105 HG2 GLU 17 1HG GLU 17 8.059 1.522 1.070 106 HG3 GLU 17 2HG GLU 17 8.960 0.055 0.691 107 H CYS 18 H CYS 18 6.618 -1.763 0.702 108 HA CYS 18 HA CYS 18 8.954 -3.438 1.334 109 HB2 CYS 18 1HB CYS 18 8.243 -3.358 3.655 110 HB3 CYS 18 2HB CYS 18 8.369 -1.720 3.022 111 H GLY 19 H GLY 19 5.400 -3.410 1.361 112 HA2 GLY 19 1HA GLY 19 4.174 -5.269 0.440 113 HA3 GLY 19 2HA GLY 19 5.479 -6.327 0.953 114 H LYS 20 H LYS 20 2.444 -5.071 1.723 115 HA LYS 20 HA LYS 20 2.422 -6.556 4.218 116 HB2 LYS 20 1HB LYS 20 3.060 -4.024 4.555 117 HB3 LYS 20 2HB LYS 20 1.332 -3.773 4.340 118 HG2 LYS 20 1HG LYS 20 0.842 -5.194 6.219 119 HG3 LYS 20 2HG LYS 20 2.548 -5.613 6.390 120 HD2 LYS 20 1HD LYS 20 2.373 -3.973 7.980 121 HD3 LYS 20 2HD LYS 20 2.824 -2.999 6.578 122 HE2 LYS 20 1HE LYS 20 0.580 -2.310 6.227 123 HE3 LYS 20 2HE LYS 20 -0.035 -3.502 7.372 124 HZ1 LYS 20 3HZ LYS 20 1.566 -2.142 8.966 125 HZ2 LYS 20 1HZ LYS 20 -0.047 -1.699 8.710 126 HZ3 LYS 20 2HZ LYS 20 1.191 -0.907 7.872 127 H ALA 21 H ALA 21 0.232 -6.833 5.078 128 HA ALA 21 HA ALA 21 -1.750 -6.785 2.906 129 HB1 ALA 21 3HB ALA 21 -2.254 -8.873 3.462 130 HB2 ALA 21 1HB ALA 21 -0.926 -8.843 4.623 131 HB3 ALA 21 2HB ALA 21 -2.556 -8.402 5.135 132 H PHE 22 H PHE 22 -3.797 -5.967 3.227 133 HA PHE 22 HA PHE 22 -4.327 -4.664 5.808 134 HB2 PHE 22 1HB PHE 22 -5.003 -3.383 3.162 135 HB3 PHE 22 2HB PHE 22 -5.056 -2.653 4.763 136 HD1 PHE 22 HD1 PHE 22 -2.869 -3.763 2.036 137 HD2 PHE 22 HD2 PHE 22 -3.081 -1.794 5.803 138 HE1 PHE 22 HE1 PHE 22 -0.578 -2.922 1.721 139 HE2 PHE 22 HE2 PHE 22 -0.791 -0.949 5.495 140 HZ PHE 22 HZ PHE 22 0.463 -1.512 3.452 141 H GLY 23 H GLY 23 -6.729 -3.794 5.731 142 HA2 GLY 23 1HA GLY 23 -8.374 -6.032 4.722 143 HA3 GLY 23 2HA GLY 23 -8.708 -5.161 6.212 144 H ASP 24 H ASP 24 -8.353 -2.538 5.313 145 HA ASP 24 HA ASP 24 -10.445 -2.279 3.256 146 HB2 ASP 24 1HB ASP 24 -11.337 -1.850 5.543 147 HB3 ASP 24 2HB ASP 24 -10.172 -0.540 5.715 148 H ASN 25 H ASN 25 -10.038 -0.872 1.656 149 HA ASN 25 HA ASN 25 -7.574 0.048 1.000 150 HB2 ASN 25 1HB ASN 25 -8.823 1.886 -0.308 151 HB3 ASN 25 2HB ASN 25 -9.213 0.208 -0.674 152 HD21 ASN 25 1HD2 ASN 25 -10.435 3.206 0.147 153 HD22 ASN 25 2HD2 ASN 25 -12.046 2.731 0.551 154 H SER 26 H SER 26 -9.957 1.721 3.000 155 HA SER 26 HA SER 26 -9.070 4.221 3.284 156 HB2 SER 26 1HB SER 26 -10.850 3.067 4.675 157 HB3 SER 26 2HB SER 26 -9.550 2.511 5.729 158 HG SER 26 HG SER 26 -10.791 4.830 5.798 159 H SER 27 H SER 27 -7.603 1.486 5.035 160 HA SER 27 HA SER 27 -5.466 3.056 6.082 161 HB2 SER 27 1HB SER 27 -4.536 0.916 6.838 162 HB3 SER 27 2HB SER 27 -6.260 1.004 7.198 163 HG SER 27 HG SER 27 -6.623 -0.253 5.309 164 H CYS 28 H CYS 28 -5.798 0.838 3.350 165 HA CYS 28 HA CYS 28 -3.297 0.422 2.473 166 HB2 CYS 28 1HB CYS 28 -5.327 -0.271 1.248 167 HB3 CYS 28 2HB CYS 28 -5.555 1.387 0.705 168 HG CYS 28 HG CYS 28 -4.119 1.177 -1.406 169 H THR 29 H THR 29 -5.104 3.428 1.867 170 HA THR 29 HA THR 29 -3.040 4.763 0.500 171 HB THR 29 HB THR 29 -4.293 6.870 1.247 172 HG1 THR 29 HG1 THR 29 -5.403 6.236 3.028 173 HG21 THR 29 3HG2 THR 29 -6.178 4.957 -0.055 174 HG22 THR 29 1HG2 THR 29 -4.657 5.341 -0.858 175 HG23 THR 29 2HG2 THR 29 -5.802 6.627 -0.477 176 H GLN 30 H GLN 30 -3.910 4.657 3.927 177 HA GLN 30 HA GLN 30 -2.185 6.621 4.881 178 HB2 GLN 30 1HB GLN 30 -4.006 5.109 6.066 179 HB3 GLN 30 2HB GLN 30 -2.600 4.141 6.488 180 HG2 GLN 30 1HG GLN 30 -1.635 6.444 7.273 181 HG3 GLN 30 2HG GLN 30 -3.339 6.889 7.349 182 HE21 GLN 30 1HE2 GLN 30 -4.270 6.570 9.229 183 HE22 GLN 30 2HE2 GLN 30 -3.806 5.405 10.416 184 H HIS 31 H HIS 31 -1.610 3.117 4.592 185 HA HIS 31 HA HIS 31 0.938 2.942 5.571 186 HB2 HIS 31 1HB HIS 31 -0.377 1.006 4.804 187 HB3 HIS 31 2HB HIS 31 -0.134 1.505 3.133 188 HD1 HIS 31 HD1 HIS 31 2.031 0.566 6.122 189 HD2 HIS 31 HD2 HIS 31 1.985 0.293 1.977 190 HE1 HIS 31 HE1 HIS 31 4.080 -0.759 5.512 191 H GLN 32 H GLN 32 -0.041 3.953 2.323 192 HA GLN 32 HA GLN 32 2.540 4.181 1.231 193 HB2 GLN 32 1HB GLN 32 0.157 4.289 0.123 194 HB3 GLN 32 2HB GLN 32 0.339 6.019 0.382 195 HG2 GLN 32 1HG GLN 32 2.566 4.558 -0.929 196 HG3 GLN 32 2HG GLN 32 1.096 4.853 -1.857 197 HE21 GLN 32 1HE2 GLN 32 1.583 6.446 -3.202 198 HE22 GLN 32 2HE2 GLN 32 2.283 7.962 -2.757 199 H ARG 33 H ARG 33 0.568 6.402 3.109 200 HA ARG 33 HA ARG 33 2.093 8.729 2.706 201 HB2 ARG 33 1HB ARG 33 -0.234 8.457 3.787 202 HB3 ARG 33 2HB ARG 33 0.646 8.119 5.271 203 HG2 ARG 33 1HG ARG 33 1.387 10.267 5.488 204 HG3 ARG 33 2HG ARG 33 1.341 10.575 3.751 205 HD2 ARG 33 1HD ARG 33 -1.127 10.202 5.434 206 HD3 ARG 33 2HD ARG 33 -0.398 11.777 5.122 207 HE ARG 33 HE ARG 33 -1.934 10.175 3.283 208 HH11 ARG 33 1HH1 ARG 33 0.394 12.740 3.629 209 HH12 ARG 33 2HH1 ARG 33 0.032 13.453 2.091 210 HH21 ARG 33 1HH2 ARG 33 -2.420 11.103 1.257 211 HH22 ARG 33 2HH2 ARG 33 -1.569 12.521 0.743 212 H LEU 34 H LEU 34 2.077 6.558 5.541 213 HA LEU 34 HA LEU 34 4.144 7.616 6.969 214 HB2 LEU 34 1HB LEU 34 4.223 5.652 8.146 215 HB3 LEU 34 2HB LEU 34 2.637 5.532 7.385 216 HG LEU 34 HG LEU 34 4.053 4.224 5.549 217 HD11 LEU 34 1HD1 LEU 34 6.200 4.486 6.588 218 HD12 LEU 34 2HD1 LEU 34 5.719 2.793 6.701 219 HD13 LEU 34 3HD1 LEU 34 5.590 3.842 8.113 220 HD21 LEU 34 3HD2 LEU 34 2.127 3.554 7.228 221 HD22 LEU 34 1HD2 LEU 34 3.439 2.667 8.005 222 HD23 LEU 34 2HD2 LEU 34 3.028 2.337 6.322 223 H HIS 35 H HIS 35 4.357 5.547 4.130 224 HA HIS 35 HA HIS 35 7.080 4.950 4.201 225 HB2 HIS 35 1HB HIS 35 5.004 5.085 2.074 226 HB3 HIS 35 2HB HIS 35 6.687 5.043 1.557 227 HD1 HIS 35 HD1 HIS 35 7.508 3.094 4.009 228 HD2 HIS 35 HD2 HIS 35 4.536 2.481 1.172 229 HE1 HIS 35 HE1 HIS 35 7.155 0.606 3.932 230 H THR 36 H THR 36 5.388 7.758 2.876 231 HA THR 36 HA THR 36 7.186 9.101 1.435 232 HB THR 36 HB THR 36 5.658 10.365 3.719 233 HG1 THR 36 HG1 THR 36 4.166 10.809 1.909 234 HG21 THR 36 3HG2 THR 36 5.756 12.200 1.703 235 HG22 THR 36 1HG2 THR 36 7.345 11.448 1.575 236 HG23 THR 36 2HG2 THR 36 6.836 12.181 3.097 237 H GLY 37 H GLY 37 9.344 8.975 1.731 238 HA2 GLY 37 1HA GLY 37 10.747 8.827 4.106 239 HA3 GLY 37 2HA GLY 37 11.404 9.481 2.612 240 H GLN 38 H GLN 38 10.128 10.200 5.733 241 HA GLN 38 HA GLN 38 10.826 13.026 5.323 242 HB2 GLN 38 1HB GLN 38 8.312 12.561 5.370 243 HB3 GLN 38 2HB GLN 38 8.529 12.157 7.068 244 HG2 GLN 38 1HG GLN 38 7.762 14.445 6.789 245 HG3 GLN 38 2HG GLN 38 9.368 14.391 7.513 246 HE21 GLN 38 1HE2 GLN 38 9.331 16.665 6.781 247 HE22 GLN 38 2HE2 GLN 38 9.862 17.008 5.173 248 H ARG 39 H ARG 39 12.580 11.154 6.341 249 HA ARG 39 HA ARG 39 13.216 12.316 8.867 250 HB2 ARG 39 1HB ARG 39 13.039 10.387 10.276 251 HB3 ARG 39 2HB ARG 39 11.475 10.634 9.510 252 HG2 ARG 39 1HG ARG 39 13.415 8.778 8.228 253 HG3 ARG 39 2HG ARG 39 12.549 8.249 9.672 254 HD2 ARG 39 1HD ARG 39 10.421 8.740 8.584 255 HD3 ARG 39 2HD ARG 39 11.276 9.304 7.149 256 HE ARG 39 HE ARG 39 10.710 6.601 7.851 257 HH11 ARG 39 1HH1 ARG 39 13.027 8.648 6.252 258 HH12 ARG 39 2HH1 ARG 39 13.610 7.394 5.209 259 HH21 ARG 39 1HH2 ARG 39 11.469 4.941 6.483 260 HH22 ARG 39 2HH2 ARG 39 12.723 5.286 5.341 261 HA PRO 40 HA PRO 40 17.250 11.161 7.574 262 HB2 PRO 40 1HB PRO 40 18.542 11.071 9.960 263 HB3 PRO 40 2HB PRO 40 18.039 12.584 9.196 264 HG2 PRO 40 1HG PRO 40 16.710 11.035 11.386 265 HG3 PRO 40 2HG PRO 40 16.957 12.785 11.244 266 HD2 PRO 40 1HD PRO 40 14.594 11.596 10.665 267 HD3 PRO 40 2HD PRO 40 15.164 13.051 9.821 268 H SER 41 H SER 41 16.179 9.380 10.474 269 HA SER 41 HA SER 41 17.246 6.924 9.249 270 HB2 SER 41 1HB SER 41 17.796 6.154 11.582 271 HB3 SER 41 2HB SER 41 18.776 7.504 11.012 272 HG SER 41 HG SER 41 16.717 7.478 12.923 273 H GLY 42 H GLY 42 15.176 8.025 11.945 274 HA2 GLY 42 1HA GLY 42 12.781 7.528 11.835 275 HA3 GLY 42 2HA GLY 42 13.208 5.990 11.100 276 HA PRO 43 HA PRO 43 12.931 4.136 15.069 277 HB2 PRO 43 1HB PRO 43 14.511 1.965 14.672 278 HB3 PRO 43 2HB PRO 43 12.897 2.120 13.968 279 HG2 PRO 43 1HG PRO 43 15.567 2.614 12.709 280 HG3 PRO 43 2HG PRO 43 14.150 1.786 12.038 281 HD2 PRO 43 1HD PRO 43 14.772 4.347 11.414 282 HD3 PRO 43 2HD PRO 43 13.097 3.763 11.491 283 H SER 44 H SER 44 14.527 2.975 16.687 284 HA SER 44 HA SER 44 16.833 4.776 17.006 285 HB2 SER 44 1HB SER 44 15.015 3.427 18.978 286 HB3 SER 44 2HB SER 44 16.639 3.914 19.463 287 HG SER 44 HG SER 44 16.042 6.047 18.642 288 H SER 45 H SER 45 17.106 2.584 15.317 289 HA SER 45 HA SER 45 18.318 0.400 16.758 290 HB2 SER 45 1HB SER 45 17.111 0.031 14.628 291 HB3 SER 45 2HB SER 45 18.327 0.994 13.788 292 HG SER 45 HG SER 45 18.830 -1.196 13.612 293 H GLY 46 H GLY 46 19.558 2.755 17.477 294 HA2 GLY 46 1HA GLY 46 22.014 2.685 17.884 295 HA3 GLY 46 2HA GLY 46 22.185 2.517 16.143 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -3.164 -30.987 -6.576 2 HA2 GLY 1 1HA GLY 1 -2.453 -31.521 -9.052 3 HA3 GLY 1 2HA GLY 1 -4.121 -32.069 -9.122 4 H SER 2 H SER 2 -4.868 -30.559 -10.557 5 HA SER 2 HA SER 2 -5.519 -28.532 -11.384 6 HB2 SER 2 1HB SER 2 -6.899 -28.899 -9.222 7 HB3 SER 2 2HB SER 2 -5.865 -27.651 -8.527 8 HG SER 2 HG SER 2 -7.989 -27.357 -10.113 9 H SER 3 H SER 3 -2.850 -28.615 -11.438 10 HA SER 3 HA SER 3 -0.981 -27.327 -11.591 11 HB2 SER 3 1HB SER 3 -2.588 -25.728 -12.635 12 HB3 SER 3 2HB SER 3 -2.847 -25.006 -11.047 13 HG SER 3 HG SER 3 -1.282 -23.801 -12.017 14 H GLY 4 H GLY 4 -1.381 -28.540 -9.154 15 HA2 GLY 4 1HA GLY 4 -0.442 -28.512 -7.052 16 HA3 GLY 4 2HA GLY 4 0.295 -26.972 -7.468 17 H SER 5 H SER 5 -0.683 -27.511 -4.922 18 HA SER 5 HA SER 5 -3.049 -25.756 -4.808 19 HB2 SER 5 1HB SER 5 -3.528 -28.081 -4.075 20 HB3 SER 5 2HB SER 5 -2.291 -27.918 -2.828 21 HG SER 5 HG SER 5 -3.540 -26.516 -1.746 22 H SER 6 H SER 6 -1.813 -23.872 -4.640 23 HA SER 6 HA SER 6 -0.742 -23.398 -1.973 24 HB2 SER 6 1HB SER 6 0.863 -23.257 -4.500 25 HB3 SER 6 2HB SER 6 1.216 -22.135 -3.186 26 HG SER 6 HG SER 6 2.118 -24.538 -3.396 27 H GLY 7 H GLY 7 -0.071 -20.973 -1.820 28 HA2 GLY 7 1HA GLY 7 -0.549 -18.782 -2.967 29 HA3 GLY 7 2HA GLY 7 -2.172 -19.417 -3.195 30 H THR 8 H THR 8 -0.478 -17.308 -1.420 31 HA THR 8 HA THR 8 -2.296 -17.589 0.880 32 HB THR 8 HB THR 8 -0.485 -16.615 2.314 33 HG1 THR 8 HG1 THR 8 1.396 -17.447 0.403 34 HG21 THR 8 3HG2 THR 8 0.980 -18.902 1.837 35 HG22 THR 8 1HG2 THR 8 -0.615 -19.307 1.204 36 HG23 THR 8 2HG2 THR 8 -0.437 -18.782 2.879 37 H GLY 9 H GLY 9 -3.711 -15.970 0.639 38 HA2 GLY 9 1HA GLY 9 -4.554 -13.882 0.112 39 HA3 GLY 9 2HA GLY 9 -3.246 -13.354 1.160 40 H GLU 10 H GLU 10 -4.163 -13.985 -2.179 41 HA GLU 10 HA GLU 10 -1.881 -12.343 -3.056 42 HB2 GLU 10 1HB GLU 10 -1.961 -14.678 -3.930 43 HB3 GLU 10 2HB GLU 10 -3.496 -14.300 -4.698 44 HG2 GLU 10 1HG GLU 10 -0.989 -12.756 -5.271 45 HG3 GLU 10 2HG GLU 10 -1.431 -14.215 -6.155 46 H LYS 11 H LYS 11 -2.399 -10.330 -3.556 47 HA LYS 11 HA LYS 11 -4.596 -9.741 -5.306 48 HB2 LYS 11 1HB LYS 11 -5.675 -8.119 -3.738 49 HB3 LYS 11 2HB LYS 11 -5.876 -9.805 -3.279 50 HG2 LYS 11 1HG LYS 11 -4.207 -9.606 -1.574 51 HG3 LYS 11 2HG LYS 11 -3.792 -7.976 -2.110 52 HD2 LYS 11 1HD LYS 11 -6.049 -7.217 -1.513 53 HD3 LYS 11 2HD LYS 11 -6.444 -8.846 -0.960 54 HE2 LYS 11 1HE LYS 11 -5.162 -8.664 0.923 55 HE3 LYS 11 2HE LYS 11 -4.031 -7.538 0.176 56 HZ1 LYS 11 3HZ LYS 11 -6.503 -6.271 0.289 57 HZ2 LYS 11 1HZ LYS 11 -5.107 -5.900 1.170 58 HZ3 LYS 11 2HZ LYS 11 -6.250 -6.971 1.808 59 HA PRO 12 HA PRO 12 -1.799 -6.527 -6.413 60 HB2 PRO 12 1HB PRO 12 -3.511 -4.906 -7.758 61 HB3 PRO 12 2HB PRO 12 -2.926 -6.440 -8.413 62 HG2 PRO 12 1HG PRO 12 -5.530 -5.824 -7.071 63 HG3 PRO 12 2HG PRO 12 -5.220 -6.805 -8.515 64 HD2 PRO 12 1HD PRO 12 -5.647 -7.900 -6.076 65 HD3 PRO 12 2HD PRO 12 -4.580 -8.645 -7.283 66 H TYR 13 H TYR 13 -4.364 -6.122 -4.249 67 HA TYR 13 HA TYR 13 -3.921 -3.282 -3.819 68 HB2 TYR 13 1HB TYR 13 -5.595 -4.923 -1.973 69 HB3 TYR 13 2HB TYR 13 -5.851 -3.284 -2.560 70 HD1 TYR 13 HD2 TYR 13 -5.804 -3.546 -5.438 71 HD2 TYR 13 HD1 TYR 13 -7.454 -6.181 -2.533 72 HE1 TYR 13 HE2 TYR 13 -7.393 -4.391 -7.115 73 HE2 TYR 13 HE1 TYR 13 -9.046 -7.034 -4.202 74 HH TYR 13 HH TYR 13 -8.958 -7.133 -6.945 75 H LYS 14 H LYS 14 -1.573 -4.446 -3.404 76 HA LYS 14 HA LYS 14 -1.284 -4.388 -0.477 77 HB2 LYS 14 1HB LYS 14 -0.312 -6.426 -2.415 78 HB3 LYS 14 2HB LYS 14 0.765 -5.991 -1.094 79 HG2 LYS 14 1HG LYS 14 -1.086 -6.510 0.492 80 HG3 LYS 14 2HG LYS 14 -2.019 -7.111 -0.880 81 HD2 LYS 14 1HD LYS 14 -1.057 -9.053 -0.088 82 HD3 LYS 14 2HD LYS 14 0.104 -8.564 -1.324 83 HE2 LYS 14 1HE LYS 14 0.487 -7.583 1.461 84 HE3 LYS 14 2HE LYS 14 0.879 -9.264 1.101 85 HZ1 LYS 14 3HZ LYS 14 2.859 -8.285 0.630 86 HZ2 LYS 14 1HZ LYS 14 2.169 -6.812 0.163 87 HZ3 LYS 14 2HZ LYS 14 2.136 -8.134 -0.892 88 H CYS 15 H CYS 15 0.417 -3.230 0.305 89 HA CYS 15 HA CYS 15 1.512 -1.168 -1.171 90 HB2 CYS 15 1HB CYS 15 1.550 -1.038 1.213 91 HB3 CYS 15 2HB CYS 15 2.499 -2.514 1.343 92 H MET 16 H MET 16 3.319 -0.866 -2.378 93 HA MET 16 HA MET 16 4.782 -3.279 -3.149 94 HB2 MET 16 1HB MET 16 3.685 -1.711 -4.842 95 HB3 MET 16 2HB MET 16 4.969 -0.572 -4.461 96 HG2 MET 16 1HG MET 16 5.499 -1.821 -6.461 97 HG3 MET 16 2HG MET 16 6.635 -2.206 -5.170 98 HE1 MET 16 3HE MET 16 7.147 -4.268 -4.295 99 HE2 MET 16 1HE MET 16 6.608 -5.833 -4.904 100 HE3 MET 16 2HE MET 16 7.500 -4.737 -5.959 101 H GLU 17 H GLU 17 5.222 -0.165 -1.636 102 HA GLU 17 HA GLU 17 7.949 0.194 -1.801 103 HB2 GLU 17 1HB GLU 17 5.979 0.828 0.380 104 HB3 GLU 17 2HB GLU 17 7.682 1.230 0.548 105 HG2 GLU 17 1HG GLU 17 6.191 3.070 -0.287 106 HG3 GLU 17 2HG GLU 17 7.615 2.727 -1.268 107 H CYS 18 H CYS 18 6.265 -1.411 0.906 108 HA CYS 18 HA CYS 18 8.728 -2.958 1.386 109 HB2 CYS 18 1HB CYS 18 8.171 -3.029 3.728 110 HB3 CYS 18 2HB CYS 18 8.107 -1.351 3.198 111 H GLY 19 H GLY 19 5.180 -3.070 1.553 112 HA2 GLY 19 1HA GLY 19 4.000 -4.921 0.546 113 HA3 GLY 19 2HA GLY 19 5.352 -5.956 0.979 114 H LYS 20 H LYS 20 2.323 -4.725 1.926 115 HA LYS 20 HA LYS 20 2.303 -6.451 4.245 116 HB2 LYS 20 1HB LYS 20 3.223 -4.343 5.144 117 HB3 LYS 20 2HB LYS 20 1.806 -3.484 4.556 118 HG2 LYS 20 1HG LYS 20 0.382 -4.642 6.078 119 HG3 LYS 20 2HG LYS 20 1.686 -5.734 6.549 120 HD2 LYS 20 1HD LYS 20 2.117 -2.812 6.891 121 HD3 LYS 20 2HD LYS 20 1.025 -3.626 8.014 122 HE2 LYS 20 1HE LYS 20 2.987 -3.919 9.134 123 HE3 LYS 20 2HE LYS 20 3.024 -5.361 8.119 124 HZ1 LYS 20 3HZ LYS 20 5.026 -4.613 7.519 125 HZ2 LYS 20 1HZ LYS 20 4.736 -3.044 8.082 126 HZ3 LYS 20 2HZ LYS 20 4.192 -3.507 6.549 127 H ALA 21 H ALA 21 0.291 -7.208 4.704 128 HA ALA 21 HA ALA 21 -1.809 -6.563 2.821 129 HB1 ALA 21 3HB ALA 21 -2.132 -8.469 5.104 130 HB2 ALA 21 1HB ALA 21 -2.860 -8.514 3.498 131 HB3 ALA 21 2HB ALA 21 -1.151 -8.903 3.705 132 H PHE 22 H PHE 22 -3.981 -6.027 3.464 133 HA PHE 22 HA PHE 22 -4.321 -4.903 6.133 134 HB2 PHE 22 1HB PHE 22 -4.462 -3.314 3.579 135 HB3 PHE 22 2HB PHE 22 -5.326 -2.810 5.027 136 HD1 PHE 22 HD2 PHE 22 -3.999 -2.371 7.128 137 HD2 PHE 22 HD1 PHE 22 -2.188 -2.853 3.307 138 HE1 PHE 22 HE2 PHE 22 -1.964 -1.266 7.957 139 HE2 PHE 22 HE1 PHE 22 -0.149 -1.749 4.130 140 HZ PHE 22 HZ PHE 22 -0.036 -0.952 6.458 141 H GLY 23 H GLY 23 -6.658 -3.991 6.314 142 HA2 GLY 23 1HA GLY 23 -8.414 -6.102 5.317 143 HA3 GLY 23 2HA GLY 23 -8.787 -4.957 6.597 144 H ASP 24 H ASP 24 -8.651 -2.556 5.643 145 HA ASP 24 HA ASP 24 -10.407 -2.566 3.279 146 HB2 ASP 24 1HB ASP 24 -10.271 -0.669 5.627 147 HB3 ASP 24 2HB ASP 24 -11.201 -0.337 4.168 148 H ASN 25 H ASN 25 -9.776 -1.520 1.500 149 HA ASN 25 HA ASN 25 -7.212 -0.694 1.016 150 HB2 ASN 25 1HB ASN 25 -8.931 -1.089 -0.730 151 HB3 ASN 25 2HB ASN 25 -9.689 0.441 -0.299 152 HD21 ASN 25 1HD2 ASN 25 -8.451 -0.500 -2.806 153 HD22 ASN 25 2HD2 ASN 25 -7.255 0.684 -3.199 154 H SER 26 H SER 26 -9.948 1.336 2.009 155 HA SER 26 HA SER 26 -9.067 3.847 1.871 156 HB2 SER 26 1HB SER 26 -10.543 2.418 4.036 157 HB3 SER 26 2HB SER 26 -10.009 4.069 4.347 158 HG SER 26 HG SER 26 -11.276 3.578 1.918 159 H SER 27 H SER 27 -8.182 1.736 4.607 160 HA SER 27 HA SER 27 -6.252 3.556 5.635 161 HB2 SER 27 1HB SER 27 -6.531 0.589 6.171 162 HB3 SER 27 2HB SER 27 -5.637 1.746 7.156 163 HG SER 27 HG SER 27 -7.473 1.917 8.171 164 H CYS 28 H CYS 28 -6.062 0.657 3.619 165 HA CYS 28 HA CYS 28 -3.452 0.056 3.495 166 HB2 CYS 28 1HB CYS 28 -5.244 -0.936 2.063 167 HB3 CYS 28 2HB CYS 28 -5.133 0.474 1.016 168 HG CYS 28 HG CYS 28 -2.173 -0.967 1.487 169 H THR 29 H THR 29 -4.911 2.708 1.616 170 HA THR 29 HA THR 29 -2.606 3.661 0.402 171 HB THR 29 HB THR 29 -3.763 5.856 0.255 172 HG1 THR 29 HG1 THR 29 -5.520 6.255 1.428 173 HG21 THR 29 3HG2 THR 29 -4.683 4.881 -1.526 174 HG22 THR 29 1HG2 THR 29 -6.055 4.435 -0.513 175 HG23 THR 29 2HG2 THR 29 -4.707 3.315 -0.716 176 H GLN 30 H GLN 30 -4.019 4.609 3.524 177 HA GLN 30 HA GLN 30 -2.324 6.632 4.261 178 HB2 GLN 30 1HB GLN 30 -4.325 5.427 5.510 179 HB3 GLN 30 2HB GLN 30 -3.011 4.588 6.324 180 HG2 GLN 30 1HG GLN 30 -2.917 7.554 6.153 181 HG3 GLN 30 2HG GLN 30 -4.033 6.802 7.292 182 HE21 GLN 30 1HE2 GLN 30 -0.665 7.091 6.362 183 HE22 GLN 30 2HE2 GLN 30 -0.007 6.648 7.896 184 H HIS 31 H HIS 31 -1.823 3.160 4.884 185 HA HIS 31 HA HIS 31 0.550 3.179 6.208 186 HB2 HIS 31 1HB HIS 31 -0.422 1.071 5.826 187 HB3 HIS 31 2HB HIS 31 -0.484 1.316 4.083 188 HD1 HIS 31 HD1 HIS 31 1.927 0.473 6.849 189 HD2 HIS 31 HD2 HIS 31 1.772 0.526 2.697 190 HE1 HIS 31 HE1 HIS 31 4.011 -0.708 6.083 191 H GLN 32 H GLN 32 0.123 3.473 2.699 192 HA GLN 32 HA GLN 32 2.754 3.439 1.880 193 HB2 GLN 32 1HB GLN 32 0.740 3.557 0.398 194 HB3 GLN 32 2HB GLN 32 0.619 5.270 0.776 195 HG2 GLN 32 1HG GLN 32 3.101 5.311 -0.061 196 HG3 GLN 32 2HG GLN 32 2.619 3.830 -0.887 197 HE21 GLN 32 1HE2 GLN 32 1.954 7.252 -0.536 198 HE22 GLN 32 2HE2 GLN 32 1.168 7.450 -2.061 199 H ARG 33 H ARG 33 0.932 6.075 3.334 200 HA ARG 33 HA ARG 33 2.499 8.255 2.872 201 HB2 ARG 33 1HB ARG 33 1.164 7.447 5.459 202 HB3 ARG 33 2HB ARG 33 1.832 9.045 5.157 203 HG2 ARG 33 1HG ARG 33 0.258 8.913 3.040 204 HG3 ARG 33 2HG ARG 33 -0.612 7.769 4.065 205 HD2 ARG 33 1HD ARG 33 -0.529 9.553 5.869 206 HD3 ARG 33 2HD ARG 33 0.004 10.662 4.607 207 HE ARG 33 HE ARG 33 -2.355 9.335 3.800 208 HH11 ARG 33 1HH1 ARG 33 -1.223 11.800 5.983 209 HH12 ARG 33 2HH1 ARG 33 -2.726 12.662 5.996 210 HH21 ARG 33 1HH2 ARG 33 -4.339 10.461 3.810 211 HH22 ARG 33 2HH2 ARG 33 -4.498 11.899 4.761 212 H LEU 34 H LEU 34 3.102 5.678 5.217 213 HA LEU 34 HA LEU 34 5.184 6.665 6.670 214 HB2 LEU 34 1HB LEU 34 4.643 3.929 5.587 215 HB3 LEU 34 2HB LEU 34 6.101 4.245 6.524 216 HG LEU 34 HG LEU 34 4.130 3.257 7.773 217 HD11 LEU 34 1HD1 LEU 34 5.233 4.002 9.543 218 HD12 LEU 34 2HD1 LEU 34 4.547 5.613 9.330 219 HD13 LEU 34 3HD1 LEU 34 6.051 5.180 8.515 220 HD21 LEU 34 3HD2 LEU 34 2.415 4.853 8.511 221 HD22 LEU 34 1HD2 LEU 34 2.364 4.584 6.769 222 HD23 LEU 34 2HD2 LEU 34 3.080 6.062 7.412 223 H HIS 35 H HIS 35 5.616 4.808 3.651 224 HA HIS 35 HA HIS 35 8.365 5.531 3.418 225 HB2 HIS 35 1HB HIS 35 6.814 4.597 1.046 226 HB3 HIS 35 2HB HIS 35 8.427 4.136 1.584 227 HD1 HIS 35 HD1 HIS 35 8.604 2.220 3.299 228 HD2 HIS 35 HD2 HIS 35 4.710 3.115 2.160 229 HE1 HIS 35 HE1 HIS 35 7.201 0.311 4.144 230 H THR 36 H THR 36 5.377 6.629 1.875 231 HA THR 36 HA THR 36 6.869 8.945 0.825 232 HB THR 36 HB THR 36 4.437 7.712 -0.477 233 HG1 THR 36 HG1 THR 36 6.157 6.284 -0.725 234 HG21 THR 36 3HG2 THR 36 4.416 9.786 -1.382 235 HG22 THR 36 1HG2 THR 36 5.701 9.131 -2.396 236 HG23 THR 36 2HG2 THR 36 6.103 10.096 -0.975 237 H GLY 37 H GLY 37 6.295 9.962 2.876 238 HA2 GLY 37 1HA GLY 37 4.137 11.715 2.660 239 HA3 GLY 37 2HA GLY 37 3.613 10.378 3.672 240 H GLN 38 H GLN 38 3.379 11.847 5.424 241 HA GLN 38 HA GLN 38 4.056 12.737 7.407 242 HB2 GLN 38 1HB GLN 38 5.551 10.717 7.437 243 HB3 GLN 38 2HB GLN 38 6.813 11.712 6.724 244 HG2 GLN 38 1HG GLN 38 6.912 11.387 9.221 245 HG3 GLN 38 2HG GLN 38 6.995 13.050 8.642 246 HE21 GLN 38 1HE2 GLN 38 6.050 14.259 10.127 247 HE22 GLN 38 2HE2 GLN 38 4.500 13.968 10.833 248 H ARG 39 H ARG 39 3.749 14.554 5.539 249 HA ARG 39 HA ARG 39 4.294 16.662 4.883 250 HB2 ARG 39 1HB ARG 39 5.805 16.301 7.419 251 HB3 ARG 39 2HB ARG 39 6.229 17.682 6.417 252 HG2 ARG 39 1HG ARG 39 4.094 18.624 6.616 253 HG3 ARG 39 2HG ARG 39 3.394 17.118 7.211 254 HD2 ARG 39 1HD ARG 39 3.585 18.341 9.155 255 HD3 ARG 39 2HD ARG 39 5.091 17.424 9.162 256 HE ARG 39 HE ARG 39 4.785 20.278 8.802 257 HH11 ARG 39 1HH1 ARG 39 6.862 17.503 8.472 258 HH12 ARG 39 2HH1 ARG 39 8.323 18.434 8.463 259 HH21 ARG 39 1HH2 ARG 39 6.702 21.515 8.791 260 HH22 ARG 39 2HH2 ARG 39 8.231 20.716 8.645 261 HA PRO 40 HA PRO 40 8.173 14.877 2.850 262 HB2 PRO 40 1HB PRO 40 7.048 14.309 0.445 263 HB3 PRO 40 2HB PRO 40 7.097 13.151 1.780 264 HG2 PRO 40 1HG PRO 40 4.855 14.925 0.893 265 HG3 PRO 40 2HG PRO 40 4.806 13.224 1.390 266 HD2 PRO 40 1HD PRO 40 4.096 15.247 3.044 267 HD3 PRO 40 2HD PRO 40 4.844 13.749 3.634 268 H SER 41 H SER 41 8.743 17.151 3.037 269 HA SER 41 HA SER 41 8.162 18.661 0.573 270 HB2 SER 41 1HB SER 41 8.644 19.724 3.366 271 HB3 SER 41 2HB SER 41 8.511 20.729 1.924 272 HG SER 41 HG SER 41 6.476 20.708 2.566 273 H GLY 42 H GLY 42 10.562 18.000 3.095 274 HA2 GLY 42 1HA GLY 42 12.695 17.944 1.202 275 HA3 GLY 42 2HA GLY 42 12.716 19.434 2.133 276 HA PRO 43 HA PRO 43 14.490 15.598 4.456 277 HB2 PRO 43 1HB PRO 43 17.076 15.613 3.631 278 HB3 PRO 43 2HB PRO 43 15.821 14.651 2.841 279 HG2 PRO 43 1HG PRO 43 16.962 17.301 2.042 280 HG3 PRO 43 2HG PRO 43 16.579 15.897 1.029 281 HD2 PRO 43 1HD PRO 43 14.950 18.053 1.206 282 HD3 PRO 43 2HD PRO 43 14.333 16.408 0.950 283 H SER 44 H SER 44 15.184 18.873 3.899 284 HA SER 44 HA SER 44 17.163 19.160 5.979 285 HB2 SER 44 1HB SER 44 15.644 21.155 4.294 286 HB3 SER 44 2HB SER 44 16.786 21.634 5.549 287 HG SER 44 HG SER 44 17.601 21.414 3.305 288 H SER 45 H SER 45 16.697 21.004 7.632 289 HA SER 45 HA SER 45 13.967 20.828 8.675 290 HB2 SER 45 1HB SER 45 15.204 19.064 9.833 291 HB3 SER 45 2HB SER 45 16.451 20.220 10.297 292 HG SER 45 HG SER 45 13.742 20.163 11.130 293 H GLY 46 H GLY 46 13.377 22.532 10.087 294 HA2 GLY 46 1HA GLY 46 14.904 24.515 11.172 295 HA3 GLY 46 2HA GLY 46 14.716 25.007 9.495 Start of MODEL 6 1 H1 GLY 1 H GLY 1 1.049 -25.154 -16.568 2 HA2 GLY 1 1HA GLY 1 2.059 -22.900 -16.584 3 HA3 GLY 1 2HA GLY 1 0.447 -22.276 -16.268 4 H SER 2 H SER 2 0.272 -21.552 -14.264 5 HA SER 2 HA SER 2 1.756 -22.938 -12.133 6 HB2 SER 2 1HB SER 2 0.660 -20.116 -12.110 7 HB3 SER 2 2HB SER 2 1.687 -20.855 -10.881 8 HG SER 2 HG SER 2 3.382 -20.539 -12.102 9 H SER 3 H SER 3 0.653 -24.013 -10.638 10 HA SER 3 HA SER 3 -2.257 -23.608 -10.497 11 HB2 SER 3 1HB SER 3 -2.436 -25.879 -9.708 12 HB3 SER 3 2HB SER 3 -1.415 -25.883 -11.145 13 HG SER 3 HG SER 3 -0.083 -26.915 -9.882 14 H GLY 4 H GLY 4 -3.299 -23.478 -8.487 15 HA2 GLY 4 1HA GLY 4 -1.753 -23.458 -6.045 16 HA3 GLY 4 2HA GLY 4 -2.296 -21.868 -6.559 17 H SER 5 H SER 5 -3.612 -21.610 -4.742 18 HA SER 5 HA SER 5 -6.215 -22.862 -4.995 19 HB2 SER 5 1HB SER 5 -4.666 -23.062 -2.400 20 HB3 SER 5 2HB SER 5 -6.319 -23.614 -2.672 21 HG SER 5 HG SER 5 -4.116 -24.981 -3.034 22 H SER 6 H SER 6 -7.869 -21.768 -3.797 23 HA SER 6 HA SER 6 -7.989 -19.099 -3.946 24 HB2 SER 6 1HB SER 6 -9.667 -19.120 -2.112 25 HB3 SER 6 2HB SER 6 -9.914 -20.426 -3.271 26 HG SER 6 HG SER 6 -9.583 -20.623 -0.661 27 H GLY 7 H GLY 7 -6.732 -20.856 -1.124 28 HA2 GLY 7 1HA GLY 7 -5.498 -20.139 0.680 29 HA3 GLY 7 2HA GLY 7 -4.670 -19.146 -0.510 30 H THR 8 H THR 8 -4.513 -17.879 1.624 31 HA THR 8 HA THR 8 -6.910 -16.297 2.161 32 HB THR 8 HB THR 8 -4.242 -16.135 3.568 33 HG1 THR 8 HG1 THR 8 -5.633 -17.382 5.188 34 HG21 THR 8 3HG2 THR 8 -5.968 -14.246 3.741 35 HG22 THR 8 1HG2 THR 8 -5.352 -14.926 5.246 36 HG23 THR 8 2HG2 THR 8 -6.946 -15.395 4.652 37 H GLY 9 H GLY 9 -6.968 -15.061 0.240 38 HA2 GLY 9 1HA GLY 9 -4.934 -12.924 0.183 39 HA3 GLY 9 2HA GLY 9 -5.455 -13.707 -1.301 40 H GLU 10 H GLU 10 -6.156 -11.312 1.053 41 HA GLU 10 HA GLU 10 -8.886 -10.875 0.481 42 HB2 GLU 10 1HB GLU 10 -8.409 -8.562 1.423 43 HB3 GLU 10 2HB GLU 10 -8.057 -9.924 2.477 44 HG2 GLU 10 1HG GLU 10 -5.875 -8.842 0.775 45 HG3 GLU 10 2HG GLU 10 -6.371 -7.934 2.202 46 H LYS 11 H LYS 11 -5.929 -9.808 -1.048 47 HA LYS 11 HA LYS 11 -7.261 -9.115 -3.452 48 HB2 LYS 11 1HB LYS 11 -6.567 -6.675 -3.418 49 HB3 LYS 11 2HB LYS 11 -7.940 -7.102 -2.404 50 HG2 LYS 11 1HG LYS 11 -6.787 -5.814 -0.937 51 HG3 LYS 11 2HG LYS 11 -6.043 -7.374 -0.580 52 HD2 LYS 11 1HD LYS 11 -4.115 -6.859 -1.823 53 HD3 LYS 11 2HD LYS 11 -4.902 -5.505 -2.639 54 HE2 LYS 11 1HE LYS 11 -4.437 -5.554 0.332 55 HE3 LYS 11 2HE LYS 11 -3.238 -4.935 -0.802 56 HZ1 LYS 11 3HZ LYS 11 -5.494 -3.628 0.236 57 HZ2 LYS 11 1HZ LYS 11 -5.689 -3.769 -1.439 58 HZ3 LYS 11 2HZ LYS 11 -4.312 -3.017 -0.808 59 HA PRO 12 HA PRO 12 -3.196 -9.930 -4.926 60 HB2 PRO 12 1HB PRO 12 -3.400 -8.854 -7.410 61 HB3 PRO 12 2HB PRO 12 -4.178 -10.374 -6.954 62 HG2 PRO 12 1HG PRO 12 -5.351 -7.626 -7.136 63 HG3 PRO 12 2HG PRO 12 -6.032 -9.171 -7.678 64 HD2 PRO 12 1HD PRO 12 -6.777 -7.984 -5.361 65 HD3 PRO 12 2HD PRO 12 -6.736 -9.748 -5.561 66 H TYR 13 H TYR 13 -4.386 -6.674 -5.784 67 HA TYR 13 HA TYR 13 -1.853 -5.493 -6.049 68 HB2 TYR 13 1HB TYR 13 -3.072 -3.336 -5.820 69 HB3 TYR 13 2HB TYR 13 -3.813 -4.429 -6.984 70 HD1 TYR 13 HD2 TYR 13 -5.893 -5.665 -6.351 71 HD2 TYR 13 HD1 TYR 13 -4.258 -2.593 -3.903 72 HE1 TYR 13 HE2 TYR 13 -8.044 -5.465 -5.175 73 HE2 TYR 13 HE1 TYR 13 -6.404 -2.386 -2.720 74 HH TYR 13 HH TYR 13 -8.600 -2.947 -2.776 75 H LYS 14 H LYS 14 -0.609 -6.181 -4.269 76 HA LYS 14 HA LYS 14 -1.341 -4.978 -1.683 77 HB2 LYS 14 1HB LYS 14 -0.928 -7.521 -1.938 78 HB3 LYS 14 2HB LYS 14 0.772 -7.085 -2.046 79 HG2 LYS 14 1HG LYS 14 0.814 -6.255 0.144 80 HG3 LYS 14 2HG LYS 14 -0.947 -6.187 0.242 81 HD2 LYS 14 1HD LYS 14 -0.568 -8.099 1.436 82 HD3 LYS 14 2HD LYS 14 -0.712 -8.787 -0.184 83 HE2 LYS 14 1HE LYS 14 1.973 -7.904 0.746 84 HE3 LYS 14 2HE LYS 14 1.307 -9.393 1.414 85 HZ1 LYS 14 3HZ LYS 14 1.170 -10.347 -0.725 86 HZ2 LYS 14 1HZ LYS 14 2.709 -9.651 -0.628 87 HZ3 LYS 14 2HZ LYS 14 1.483 -8.876 -1.498 88 H CYS 15 H CYS 15 0.367 -4.023 -0.409 89 HA CYS 15 HA CYS 15 1.851 -2.104 -1.704 90 HB2 CYS 15 1HB CYS 15 1.410 -1.990 0.680 91 HB3 CYS 15 2HB CYS 15 2.406 -3.414 0.965 92 H MET 16 H MET 16 3.300 -2.464 -3.259 93 HA MET 16 HA MET 16 5.084 -4.756 -3.111 94 HB2 MET 16 1HB MET 16 3.873 -3.963 -5.229 95 HB3 MET 16 2HB MET 16 5.056 -2.663 -5.276 96 HG2 MET 16 1HG MET 16 6.028 -4.206 -6.655 97 HG3 MET 16 2HG MET 16 6.784 -4.599 -5.112 98 HE1 MET 16 3HE MET 16 7.110 -7.001 -4.499 99 HE2 MET 16 1HE MET 16 6.555 -8.264 -5.598 100 HE3 MET 16 2HE MET 16 7.506 -6.913 -6.216 101 H GLU 17 H GLU 17 5.147 -1.938 -1.633 102 HA GLU 17 HA GLU 17 7.840 -1.088 -2.292 103 HB2 GLU 17 1HB GLU 17 6.250 0.648 -1.792 104 HB3 GLU 17 2HB GLU 17 5.835 -0.106 -0.259 105 HG2 GLU 17 1HG GLU 17 7.216 1.592 0.416 106 HG3 GLU 17 2HG GLU 17 8.346 0.245 0.294 107 H CYS 18 H CYS 18 6.151 -2.357 0.574 108 HA CYS 18 HA CYS 18 8.752 -3.338 1.552 109 HB2 CYS 18 1HB CYS 18 8.086 -2.896 3.814 110 HB3 CYS 18 2HB CYS 18 7.825 -1.423 2.885 111 H GLY 19 H GLY 19 5.246 -3.851 1.516 112 HA2 GLY 19 1HA GLY 19 4.457 -6.083 0.910 113 HA3 GLY 19 2HA GLY 19 5.776 -6.735 1.871 114 H LYS 20 H LYS 20 3.198 -4.336 2.436 115 HA LYS 20 HA LYS 20 2.565 -5.771 4.931 116 HB2 LYS 20 1HB LYS 20 3.410 -3.261 4.850 117 HB3 LYS 20 2HB LYS 20 1.717 -2.942 4.495 118 HG2 LYS 20 1HG LYS 20 2.596 -4.554 6.872 119 HG3 LYS 20 2HG LYS 20 2.410 -2.799 6.917 120 HD2 LYS 20 1HD LYS 20 0.103 -2.918 6.559 121 HD3 LYS 20 2HD LYS 20 0.191 -4.572 5.950 122 HE2 LYS 20 1HE LYS 20 1.047 -4.020 8.750 123 HE3 LYS 20 2HE LYS 20 -0.677 -4.058 8.381 124 HZ1 LYS 20 3HZ LYS 20 0.984 -6.217 8.853 125 HZ2 LYS 20 1HZ LYS 20 0.623 -6.274 7.200 126 HZ3 LYS 20 2HZ LYS 20 -0.627 -6.258 8.339 127 H ALA 21 H ALA 21 0.640 -6.713 5.061 128 HA ALA 21 HA ALA 21 -1.285 -6.356 2.932 129 HB1 ALA 21 3HB ALA 21 -0.899 -8.598 3.654 130 HB2 ALA 21 1HB ALA 21 -1.234 -8.174 5.333 131 HB3 ALA 21 2HB ALA 21 -2.535 -8.153 4.142 132 H PHE 22 H PHE 22 -3.382 -5.596 3.143 133 HA PHE 22 HA PHE 22 -4.045 -4.270 5.684 134 HB2 PHE 22 1HB PHE 22 -4.859 -3.035 3.080 135 HB3 PHE 22 2HB PHE 22 -4.633 -2.274 4.652 136 HD1 PHE 22 HD2 PHE 22 -2.198 -2.219 5.550 137 HD2 PHE 22 HD1 PHE 22 -3.227 -2.831 1.465 138 HE1 PHE 22 HE2 PHE 22 0.057 -1.502 4.878 139 HE2 PHE 22 HE1 PHE 22 -0.972 -2.117 0.787 140 HZ PHE 22 HZ PHE 22 0.673 -1.450 2.494 141 H GLY 23 H GLY 23 -6.475 -3.470 5.493 142 HA2 GLY 23 1HA GLY 23 -8.002 -5.853 4.670 143 HA3 GLY 23 2HA GLY 23 -8.477 -4.736 5.942 144 H ASP 24 H ASP 24 -8.104 -2.310 4.613 145 HA ASP 24 HA ASP 24 -9.694 -2.431 2.179 146 HB2 ASP 24 1HB ASP 24 -11.352 -2.340 4.019 147 HB3 ASP 24 2HB ASP 24 -10.611 -0.846 4.588 148 H ASN 25 H ASN 25 -9.732 -0.422 1.007 149 HA ASN 25 HA ASN 25 -7.400 0.832 0.596 150 HB2 ASN 25 1HB ASN 25 -8.548 2.550 -0.532 151 HB3 ASN 25 2HB ASN 25 -9.648 1.177 -0.604 152 HD21 ASN 25 1HD2 ASN 25 -9.200 4.384 0.409 153 HD22 ASN 25 2HD2 ASN 25 -10.722 4.598 1.198 154 H SER 26 H SER 26 -9.809 1.868 2.988 155 HA SER 26 HA SER 26 -8.860 4.188 3.942 156 HB2 SER 26 1HB SER 26 -10.736 2.702 4.890 157 HB3 SER 26 2HB SER 26 -9.480 1.973 5.890 158 HG SER 26 HG SER 26 -9.801 4.769 5.802 159 H SER 27 H SER 27 -7.613 1.031 5.035 160 HA SER 27 HA SER 27 -5.488 2.144 6.548 161 HB2 SER 27 1HB SER 27 -5.661 -0.654 5.408 162 HB3 SER 27 2HB SER 27 -4.689 -0.127 6.782 163 HG SER 27 HG SER 27 -6.999 0.586 7.509 164 H CYS 28 H CYS 28 -5.572 0.561 3.361 165 HA CYS 28 HA CYS 28 -2.930 0.618 2.678 166 HB2 CYS 28 1HB CYS 28 -4.893 -0.250 1.309 167 HB3 CYS 28 2HB CYS 28 -5.105 1.401 0.739 168 HG CYS 28 HG CYS 28 -3.024 1.512 -0.875 169 H THR 29 H THR 29 -5.229 3.208 1.813 170 HA THR 29 HA THR 29 -3.550 5.056 0.754 171 HB THR 29 HB THR 29 -5.045 6.828 1.619 172 HG1 THR 29 HG1 THR 29 -6.941 5.783 2.839 173 HG21 THR 29 3HG2 THR 29 -5.636 4.914 -0.198 174 HG22 THR 29 1HG2 THR 29 -6.691 6.279 0.168 175 HG23 THR 29 2HG2 THR 29 -6.980 4.713 0.926 176 H GLN 30 H GLN 30 -4.165 4.592 4.224 177 HA GLN 30 HA GLN 30 -2.469 6.659 5.115 178 HB2 GLN 30 1HB GLN 30 -3.410 4.140 6.489 179 HB3 GLN 30 2HB GLN 30 -2.524 5.424 7.299 180 HG2 GLN 30 1HG GLN 30 -5.269 5.553 6.089 181 HG3 GLN 30 2HG GLN 30 -4.814 5.745 7.781 182 HE21 GLN 30 1HE2 GLN 30 -6.263 7.512 5.883 183 HE22 GLN 30 2HE2 GLN 30 -5.417 9.017 5.936 184 H HIS 31 H HIS 31 -1.922 3.141 4.947 185 HA HIS 31 HA HIS 31 0.611 2.918 5.877 186 HB2 HIS 31 1HB HIS 31 -0.773 1.046 4.984 187 HB3 HIS 31 2HB HIS 31 -0.367 1.569 3.352 188 HD1 HIS 31 HD1 HIS 31 1.199 0.057 6.427 189 HD2 HIS 31 HD2 HIS 31 2.098 0.742 2.429 190 HE1 HIS 31 HE1 HIS 31 3.322 -1.218 5.987 191 H GLN 32 H GLN 32 -0.364 4.314 2.817 192 HA GLN 32 HA GLN 32 2.233 4.451 1.673 193 HB2 GLN 32 1HB GLN 32 0.070 4.599 0.406 194 HB3 GLN 32 2HB GLN 32 -0.137 6.220 1.057 195 HG2 GLN 32 1HG GLN 32 1.515 7.107 -0.242 196 HG3 GLN 32 2HG GLN 32 2.393 5.583 -0.362 197 HE21 GLN 32 1HE2 GLN 32 1.634 7.430 -2.466 198 HE22 GLN 32 2HE2 GLN 32 0.659 6.532 -3.574 199 H ARG 33 H ARG 33 0.300 6.659 3.630 200 HA ARG 33 HA ARG 33 1.576 9.028 3.451 201 HB2 ARG 33 1HB ARG 33 0.733 7.646 6.003 202 HB3 ARG 33 2HB ARG 33 1.127 9.355 5.881 203 HG2 ARG 33 1HG ARG 33 -1.050 8.046 4.275 204 HG3 ARG 33 2HG ARG 33 -1.316 8.800 5.848 205 HD2 ARG 33 1HD ARG 33 -0.651 10.934 5.022 206 HD3 ARG 33 2HD ARG 33 -0.076 10.235 3.510 207 HE ARG 33 HE ARG 33 -2.847 9.726 3.921 208 HH11 ARG 33 1HH1 ARG 33 -0.575 12.160 2.906 209 HH12 ARG 33 2HH1 ARG 33 -1.718 12.995 1.906 210 HH21 ARG 33 1HH2 ARG 33 -4.361 10.817 2.609 211 HH22 ARG 33 2HH2 ARG 33 -3.871 12.231 1.739 212 H LEU 34 H LEU 34 2.588 6.590 5.856 213 HA LEU 34 HA LEU 34 4.983 7.817 6.565 214 HB2 LEU 34 1HB LEU 34 5.495 5.889 7.728 215 HB3 LEU 34 2HB LEU 34 3.736 5.833 7.635 216 HG LEU 34 HG LEU 34 4.248 4.351 5.506 217 HD11 LEU 34 1HD1 LEU 34 6.578 3.572 7.212 218 HD12 LEU 34 2HD1 LEU 34 6.757 4.788 5.948 219 HD13 LEU 34 3HD1 LEU 34 6.231 3.157 5.533 220 HD21 LEU 34 3HD2 LEU 34 4.066 2.373 6.932 221 HD22 LEU 34 1HD2 LEU 34 2.966 3.649 7.457 222 HD23 LEU 34 2HD2 LEU 34 4.461 3.353 8.346 223 H HIS 35 H HIS 35 4.275 5.528 3.979 224 HA HIS 35 HA HIS 35 6.898 4.958 3.190 225 HB2 HIS 35 1HB HIS 35 4.222 4.826 1.897 226 HB3 HIS 35 2HB HIS 35 5.632 4.750 0.843 227 HD1 HIS 35 HD1 HIS 35 7.322 3.102 3.067 228 HD2 HIS 35 HD2 HIS 35 3.618 2.129 1.456 229 HE1 HIS 35 HE1 HIS 35 7.094 0.614 3.360 230 H THR 36 H THR 36 4.726 7.589 2.273 231 HA THR 36 HA THR 36 5.859 8.785 0.170 232 HB THR 36 HB THR 36 5.185 10.329 2.680 233 HG1 THR 36 HG1 THR 36 3.603 9.024 0.772 234 HG21 THR 36 3HG2 THR 36 6.264 11.720 1.033 235 HG22 THR 36 1HG2 THR 36 4.541 12.093 1.044 236 HG23 THR 36 2HG2 THR 36 5.219 11.093 -0.241 237 H GLY 37 H GLY 37 7.189 8.876 3.453 238 HA2 GLY 37 1HA GLY 37 9.649 8.739 3.593 239 HA3 GLY 37 2HA GLY 37 9.699 9.919 2.291 240 H GLN 38 H GLN 38 9.607 12.060 2.761 241 HA GLN 38 HA GLN 38 10.485 13.148 5.030 242 HB2 GLN 38 1HB GLN 38 8.295 14.301 3.296 243 HB3 GLN 38 2HB GLN 38 9.210 15.220 4.484 244 HG2 GLN 38 1HG GLN 38 10.511 13.765 2.203 245 HG3 GLN 38 2HG GLN 38 9.948 15.431 2.083 246 HE21 GLN 38 1HE2 GLN 38 11.882 16.424 1.865 247 HE22 GLN 38 2HE2 GLN 38 13.113 16.427 3.077 248 H ARG 39 H ARG 39 9.912 12.480 7.018 249 HA ARG 39 HA ARG 39 7.262 11.836 7.790 250 HB2 ARG 39 1HB ARG 39 9.763 12.394 9.382 251 HB3 ARG 39 2HB ARG 39 8.240 11.931 10.129 252 HG2 ARG 39 1HG ARG 39 9.298 9.907 9.975 253 HG3 ARG 39 2HG ARG 39 8.371 9.919 8.474 254 HD2 ARG 39 1HD ARG 39 10.234 10.279 7.169 255 HD3 ARG 39 2HD ARG 39 11.137 11.031 8.484 256 HE ARG 39 HE ARG 39 11.928 8.967 9.057 257 HH11 ARG 39 1HH1 ARG 39 9.107 8.572 7.056 258 HH12 ARG 39 2HH1 ARG 39 9.275 6.851 6.933 259 HH21 ARG 39 1HH2 ARG 39 12.160 6.703 8.904 260 HH22 ARG 39 2HH2 ARG 39 11.011 5.790 7.986 261 HA PRO 40 HA PRO 40 5.535 15.752 8.775 262 HB2 PRO 40 1HB PRO 40 3.862 15.063 10.799 263 HB3 PRO 40 2HB PRO 40 3.549 14.645 9.110 264 HG2 PRO 40 1HG PRO 40 4.708 12.958 11.295 265 HG3 PRO 40 2HG PRO 40 3.504 12.526 10.067 266 HD2 PRO 40 1HD PRO 40 6.115 11.841 9.852 267 HD3 PRO 40 2HD PRO 40 5.101 12.193 8.438 268 H SER 41 H SER 41 7.242 16.959 9.592 269 HA SER 41 HA SER 41 8.352 16.592 12.174 270 HB2 SER 41 1HB SER 41 9.361 17.831 10.148 271 HB3 SER 41 2HB SER 41 8.393 19.207 10.677 272 HG SER 41 HG SER 41 9.980 19.580 11.992 273 H GLY 42 H GLY 42 6.477 16.445 13.522 274 HA2 GLY 42 1HA GLY 42 5.171 17.366 15.185 275 HA3 GLY 42 2HA GLY 42 5.789 18.946 14.726 276 HA PRO 43 HA PRO 43 1.359 17.977 13.086 277 HB2 PRO 43 1HB PRO 43 -0.180 18.740 15.189 278 HB3 PRO 43 2HB PRO 43 0.359 17.074 14.947 279 HG2 PRO 43 1HG PRO 43 1.488 19.188 16.740 280 HG3 PRO 43 2HG PRO 43 1.208 17.469 17.075 281 HD2 PRO 43 1HD PRO 43 3.652 18.452 16.449 282 HD3 PRO 43 2HD PRO 43 3.136 16.815 15.995 283 H SER 44 H SER 44 2.254 20.520 15.416 284 HA SER 44 HA SER 44 1.310 22.514 13.465 285 HB2 SER 44 1HB SER 44 -0.229 22.250 15.451 286 HB3 SER 44 2HB SER 44 1.094 22.829 16.464 287 HG SER 44 HG SER 44 0.294 24.321 14.223 288 H SER 45 H SER 45 3.249 23.146 12.662 289 HA SER 45 HA SER 45 4.981 24.643 14.452 290 HB2 SER 45 1HB SER 45 5.878 22.206 12.925 291 HB3 SER 45 2HB SER 45 7.013 23.483 13.363 292 HG SER 45 HG SER 45 5.937 21.528 14.905 293 H GLY 46 H GLY 46 6.061 26.307 13.452 294 HA2 GLY 46 1HA GLY 46 5.082 27.058 10.850 295 HA3 GLY 46 2HA GLY 46 6.164 27.995 11.870 Start of MODEL 7 1 H1 GLY 1 H GLY 1 13.190 -4.452 11.779 2 HA2 GLY 1 1HA GLY 1 14.240 -6.047 10.461 3 HA3 GLY 1 2HA GLY 1 14.125 -7.182 11.799 4 H SER 2 H SER 2 13.436 -8.870 10.475 5 HA SER 2 HA SER 2 10.632 -9.074 10.124 6 HB2 SER 2 1HB SER 2 10.491 -9.204 7.709 7 HB3 SER 2 2HB SER 2 11.190 -7.646 8.152 8 HG SER 2 HG SER 2 12.795 -9.887 7.525 9 H SER 3 H SER 3 9.972 -11.181 9.381 10 HA SER 3 HA SER 3 11.718 -13.240 10.270 11 HB2 SER 3 1HB SER 3 9.348 -13.522 10.577 12 HB3 SER 3 2HB SER 3 9.050 -13.336 8.848 13 HG SER 3 HG SER 3 9.058 -15.542 9.584 14 H GLY 4 H GLY 4 12.624 -14.966 9.085 15 HA2 GLY 4 1HA GLY 4 14.136 -14.444 6.919 16 HA3 GLY 4 2HA GLY 4 13.484 -16.047 7.224 17 H SER 5 H SER 5 11.566 -16.696 6.161 18 HA SER 5 HA SER 5 11.015 -15.132 3.727 19 HB2 SER 5 1HB SER 5 11.965 -17.604 3.717 20 HB3 SER 5 2HB SER 5 10.266 -18.019 3.948 21 HG SER 5 HG SER 5 9.888 -16.605 2.070 22 H SER 6 H SER 6 9.471 -13.840 4.895 23 HA SER 6 HA SER 6 6.819 -14.933 4.743 24 HB2 SER 6 1HB SER 6 8.079 -14.326 7.406 25 HB3 SER 6 2HB SER 6 6.337 -14.169 7.176 26 HG SER 6 HG SER 6 6.650 -16.233 7.840 27 H GLY 7 H GLY 7 5.176 -13.320 4.874 28 HA2 GLY 7 1HA GLY 7 4.561 -11.000 5.295 29 HA3 GLY 7 2HA GLY 7 6.196 -10.550 4.833 30 H THR 8 H THR 8 3.292 -12.134 3.522 31 HA THR 8 HA THR 8 3.608 -10.569 1.077 32 HB THR 8 HB THR 8 3.269 -12.507 -0.377 33 HG1 THR 8 HG1 THR 8 3.724 -14.616 0.850 34 HG21 THR 8 3HG2 THR 8 5.599 -11.732 0.607 35 HG22 THR 8 1HG2 THR 8 5.470 -13.150 -0.433 36 HG23 THR 8 2HG2 THR 8 5.571 -13.346 1.317 37 H GLY 9 H GLY 9 1.663 -10.781 -0.357 38 HA2 GLY 9 1HA GLY 9 -0.764 -11.516 1.134 39 HA3 GLY 9 2HA GLY 9 -0.624 -9.897 0.466 40 H GLU 10 H GLU 10 -2.723 -11.528 -0.240 41 HA GLU 10 HA GLU 10 -2.038 -12.348 -2.986 42 HB2 GLU 10 1HB GLU 10 -4.052 -13.785 -2.891 43 HB3 GLU 10 2HB GLU 10 -2.847 -14.221 -1.687 44 HG2 GLU 10 1HG GLU 10 -5.105 -12.395 -0.984 45 HG3 GLU 10 2HG GLU 10 -5.332 -14.142 -1.013 46 H LYS 11 H LYS 11 -2.331 -9.738 -2.812 47 HA LYS 11 HA LYS 11 -4.951 -9.258 -4.037 48 HB2 LYS 11 1HB LYS 11 -3.767 -7.833 -1.691 49 HB3 LYS 11 2HB LYS 11 -4.737 -6.917 -2.836 50 HG2 LYS 11 1HG LYS 11 -6.546 -8.649 -2.490 51 HG3 LYS 11 2HG LYS 11 -5.583 -9.240 -1.133 52 HD2 LYS 11 1HD LYS 11 -5.909 -7.315 0.106 53 HD3 LYS 11 2HD LYS 11 -6.257 -6.334 -1.319 54 HE2 LYS 11 1HE LYS 11 -8.303 -6.642 -0.131 55 HE3 LYS 11 2HE LYS 11 -8.378 -7.627 -1.591 56 HZ1 LYS 11 3HZ LYS 11 -7.842 -8.561 1.174 57 HZ2 LYS 11 1HZ LYS 11 -7.673 -9.539 -0.196 58 HZ3 LYS 11 2HZ LYS 11 -9.190 -8.916 0.216 59 HA PRO 12 HA PRO 12 -2.551 -7.268 -7.145 60 HB2 PRO 12 1HB PRO 12 -4.480 -5.711 -8.251 61 HB3 PRO 12 2HB PRO 12 -4.405 -7.461 -8.488 62 HG2 PRO 12 1HG PRO 12 -6.101 -5.877 -6.598 63 HG3 PRO 12 2HG PRO 12 -6.549 -7.263 -7.610 64 HD2 PRO 12 1HD PRO 12 -6.015 -7.502 -4.966 65 HD3 PRO 12 2HD PRO 12 -5.654 -8.790 -6.133 66 H TYR 13 H TYR 13 -4.685 -5.189 -5.202 67 HA TYR 13 HA TYR 13 -2.901 -2.919 -5.632 68 HB2 TYR 13 1HB TYR 13 -4.629 -1.578 -4.586 69 HB3 TYR 13 2HB TYR 13 -5.356 -2.605 -5.817 70 HD1 TYR 13 HD2 TYR 13 -6.624 -4.649 -5.108 71 HD2 TYR 13 HD1 TYR 13 -5.293 -1.727 -2.317 72 HE1 TYR 13 HE2 TYR 13 -8.219 -5.516 -3.449 73 HE2 TYR 13 HE1 TYR 13 -6.884 -2.586 -0.650 74 HH TYR 13 HH TYR 13 -9.433 -4.502 -1.357 75 H LYS 14 H LYS 14 -1.418 -4.577 -4.318 76 HA LYS 14 HA LYS 14 -1.638 -3.882 -1.464 77 HB2 LYS 14 1HB LYS 14 -1.635 -6.349 -2.249 78 HB3 LYS 14 2HB LYS 14 0.081 -6.101 -2.542 79 HG2 LYS 14 1HG LYS 14 0.424 -5.537 -0.208 80 HG3 LYS 14 2HG LYS 14 -1.305 -5.704 0.103 81 HD2 LYS 14 1HD LYS 14 -0.525 -7.759 0.789 82 HD3 LYS 14 2HD LYS 14 -0.951 -8.099 -0.890 83 HE2 LYS 14 1HE LYS 14 1.805 -7.149 -0.305 84 HE3 LYS 14 2HE LYS 14 1.389 -8.804 0.136 85 HZ1 LYS 14 3HZ LYS 14 0.528 -8.096 -2.507 86 HZ2 LYS 14 1HZ LYS 14 1.417 -9.437 -1.984 87 HZ3 LYS 14 2HZ LYS 14 2.205 -7.978 -2.316 88 H CYS 15 H CYS 15 0.250 -3.255 -0.335 89 HA CYS 15 HA CYS 15 1.985 -1.567 -1.827 90 HB2 CYS 15 1HB CYS 15 1.213 -1.255 0.587 91 HB3 CYS 15 2HB CYS 15 2.424 -2.457 1.022 92 H MET 16 H MET 16 3.703 -2.166 -2.954 93 HA MET 16 HA MET 16 4.935 -4.754 -2.470 94 HB2 MET 16 1HB MET 16 6.150 -4.340 -4.551 95 HB3 MET 16 2HB MET 16 4.423 -4.096 -4.774 96 HG2 MET 16 1HG MET 16 4.717 -1.697 -4.662 97 HG3 MET 16 2HG MET 16 6.437 -1.903 -4.342 98 HE1 MET 16 3HE MET 16 5.844 0.045 -6.429 99 HE2 MET 16 1HE MET 16 5.640 -0.479 -8.101 100 HE3 MET 16 2HE MET 16 4.296 -0.608 -6.967 101 H GLU 17 H GLU 17 5.727 -1.332 -2.268 102 HA GLU 17 HA GLU 17 8.412 -1.259 -1.992 103 HB2 GLU 17 1HB GLU 17 6.740 0.638 -1.679 104 HB3 GLU 17 2HB GLU 17 6.621 0.126 -0.002 105 HG2 GLU 17 1HG GLU 17 8.908 0.628 0.400 106 HG3 GLU 17 2HG GLU 17 9.215 0.882 -1.317 107 H CYS 18 H CYS 18 6.129 -2.289 0.516 108 HA CYS 18 HA CYS 18 8.409 -3.364 2.043 109 HB2 CYS 18 1HB CYS 18 7.100 -3.100 4.060 110 HB3 CYS 18 2HB CYS 18 7.138 -1.565 3.200 111 H GLY 19 H GLY 19 5.017 -3.944 1.155 112 HA2 GLY 19 1HA GLY 19 4.253 -6.043 0.334 113 HA3 GLY 19 2HA GLY 19 5.596 -6.821 1.158 114 H LYS 20 H LYS 20 3.216 -4.513 2.417 115 HA LYS 20 HA LYS 20 2.511 -6.503 4.463 116 HB2 LYS 20 1HB LYS 20 3.426 -4.412 5.337 117 HB3 LYS 20 2HB LYS 20 2.197 -3.495 4.476 118 HG2 LYS 20 1HG LYS 20 0.476 -4.300 5.870 119 HG3 LYS 20 2HG LYS 20 1.512 -5.557 6.549 120 HD2 LYS 20 1HD LYS 20 2.905 -3.829 7.596 121 HD3 LYS 20 2HD LYS 20 1.853 -2.580 6.926 122 HE2 LYS 20 1HE LYS 20 0.988 -4.749 8.836 123 HE3 LYS 20 2HE LYS 20 1.351 -3.085 9.288 124 HZ1 LYS 20 3HZ LYS 20 -1.017 -3.402 9.028 125 HZ2 LYS 20 1HZ LYS 20 -0.807 -3.958 7.444 126 HZ3 LYS 20 2HZ LYS 20 -0.446 -2.352 7.831 127 H ALA 21 H ALA 21 0.419 -7.111 4.804 128 HA ALA 21 HA ALA 21 -1.476 -6.427 2.697 129 HB1 ALA 21 3HB ALA 21 -2.838 -8.260 3.915 130 HB2 ALA 21 1HB ALA 21 -1.417 -8.725 2.979 131 HB3 ALA 21 2HB ALA 21 -1.317 -8.610 4.736 132 H PHE 22 H PHE 22 -3.525 -5.585 3.065 133 HA PHE 22 HA PHE 22 -4.084 -4.604 5.777 134 HB2 PHE 22 1HB PHE 22 -4.523 -2.942 3.293 135 HB3 PHE 22 2HB PHE 22 -4.696 -2.431 4.969 136 HD1 PHE 22 HD1 PHE 22 -2.310 -3.272 2.312 137 HD2 PHE 22 HD2 PHE 22 -2.795 -1.809 6.280 138 HE1 PHE 22 HE1 PHE 22 0.028 -2.505 2.311 139 HE2 PHE 22 HE2 PHE 22 -0.458 -1.039 6.285 140 HZ PHE 22 HZ PHE 22 0.957 -1.386 4.299 141 H GLY 23 H GLY 23 -6.162 -4.789 6.424 142 HA2 GLY 23 1HA GLY 23 -7.930 -6.489 5.107 143 HA3 GLY 23 2HA GLY 23 -8.380 -5.380 6.394 144 H ASP 24 H ASP 24 -8.214 -2.947 5.423 145 HA ASP 24 HA ASP 24 -9.944 -2.984 3.037 146 HB2 ASP 24 1HB ASP 24 -10.908 -2.197 5.286 147 HB3 ASP 24 2HB ASP 24 -9.892 -0.773 5.081 148 H ASN 25 H ASN 25 -9.788 -1.135 1.600 149 HA ASN 25 HA ASN 25 -7.098 -0.520 0.950 150 HB2 ASN 25 1HB ASN 25 -9.257 -0.634 -0.551 151 HB3 ASN 25 2HB ASN 25 -9.384 1.075 -0.144 152 HD21 ASN 25 1HD2 ASN 25 -8.995 0.072 -2.735 153 HD22 ASN 25 2HD2 ASN 25 -7.449 0.605 -3.293 154 H SER 26 H SER 26 -9.730 1.365 2.389 155 HA SER 26 HA SER 26 -8.694 3.878 2.460 156 HB2 SER 26 1HB SER 26 -10.256 2.376 4.558 157 HB3 SER 26 2HB SER 26 -9.836 4.078 4.749 158 HG SER 26 HG SER 26 -10.818 4.068 2.422 159 H SER 27 H SER 27 -8.072 1.369 4.914 160 HA SER 27 HA SER 27 -6.333 2.763 6.535 161 HB2 SER 27 1HB SER 27 -5.536 0.639 7.329 162 HB3 SER 27 2HB SER 27 -7.247 0.451 6.945 163 HG SER 27 HG SER 27 -4.996 -0.479 5.524 164 H CYS 28 H CYS 28 -5.544 0.837 3.655 165 HA CYS 28 HA CYS 28 -2.769 1.201 3.732 166 HB2 CYS 28 1HB CYS 28 -4.055 -0.433 2.292 167 HB3 CYS 28 2HB CYS 28 -4.426 0.915 1.224 168 HG CYS 28 HG CYS 28 -1.199 0.899 1.714 169 H THR 29 H THR 29 -5.237 2.994 1.892 170 HA THR 29 HA THR 29 -3.862 4.783 0.472 171 HB THR 29 HB THR 29 -6.079 5.688 2.314 172 HG1 THR 29 HG1 THR 29 -7.314 5.105 0.267 173 HG21 THR 29 3HG2 THR 29 -5.442 7.615 1.264 174 HG22 THR 29 1HG2 THR 29 -6.529 6.978 0.031 175 HG23 THR 29 2HG2 THR 29 -4.786 6.766 -0.135 176 H GLN 30 H GLN 30 -4.071 4.776 3.977 177 HA GLN 30 HA GLN 30 -2.617 7.267 4.222 178 HB2 GLN 30 1HB GLN 30 -4.100 7.094 5.973 179 HB3 GLN 30 2HB GLN 30 -3.905 5.351 6.107 180 HG2 GLN 30 1HG GLN 30 -2.967 6.348 8.049 181 HG3 GLN 30 2HG GLN 30 -1.642 5.741 7.058 182 HE21 GLN 30 1HE2 GLN 30 -2.258 8.091 9.050 183 HE22 GLN 30 2HE2 GLN 30 -1.425 9.414 8.315 184 H HIS 31 H HIS 31 -2.035 3.830 4.889 185 HA HIS 31 HA HIS 31 0.406 3.811 6.040 186 HB2 HIS 31 1HB HIS 31 -0.517 1.706 5.598 187 HB3 HIS 31 2HB HIS 31 -0.736 2.055 3.886 188 HD1 HIS 31 HD1 HIS 31 1.725 0.752 6.333 189 HD2 HIS 31 HD2 HIS 31 1.604 1.766 2.306 190 HE1 HIS 31 HE1 HIS 31 3.808 -0.236 5.328 191 H GLN 32 H GLN 32 -0.253 4.474 2.637 192 HA GLN 32 HA GLN 32 2.271 4.441 1.563 193 HB2 GLN 32 1HB GLN 32 0.025 4.969 0.436 194 HB3 GLN 32 2HB GLN 32 0.314 6.635 0.918 195 HG2 GLN 32 1HG GLN 32 1.061 6.456 -1.302 196 HG3 GLN 32 2HG GLN 32 2.512 6.485 -0.300 197 HE21 GLN 32 1HE2 GLN 32 0.949 4.938 -2.787 198 HE22 GLN 32 2HE2 GLN 32 1.860 3.470 -2.812 199 H ARG 33 H ARG 33 0.734 7.068 3.378 200 HA ARG 33 HA ARG 33 2.569 9.078 3.098 201 HB2 ARG 33 1HB ARG 33 0.789 8.241 5.343 202 HB3 ARG 33 2HB ARG 33 1.975 9.504 5.641 203 HG2 ARG 33 1HG ARG 33 0.245 9.754 3.242 204 HG3 ARG 33 2HG ARG 33 -0.471 10.053 4.827 205 HD2 ARG 33 1HD ARG 33 1.512 11.602 5.241 206 HD3 ARG 33 2HD ARG 33 1.822 11.479 3.509 207 HE ARG 33 HE ARG 33 -0.869 12.187 3.935 208 HH11 ARG 33 1HH1 ARG 33 2.344 13.501 4.195 209 HH12 ARG 33 2HH1 ARG 33 1.837 15.137 3.937 210 HH21 ARG 33 1HH2 ARG 33 -1.549 14.337 3.593 211 HH22 ARG 33 2HH2 ARG 33 -0.378 15.611 3.595 212 H LEU 34 H LEU 34 2.701 6.407 5.441 213 HA LEU 34 HA LEU 34 5.054 7.149 6.741 214 HB2 LEU 34 1HB LEU 34 4.983 5.106 7.753 215 HB3 LEU 34 2HB LEU 34 3.318 5.238 7.189 216 HG LEU 34 HG LEU 34 4.330 3.940 5.101 217 HD11 LEU 34 1HD1 LEU 34 6.069 2.461 5.612 218 HD12 LEU 34 2HD1 LEU 34 5.970 2.797 7.339 219 HD13 LEU 34 3HD1 LEU 34 6.613 4.016 6.240 220 HD21 LEU 34 3HD2 LEU 34 2.519 2.954 6.114 221 HD22 LEU 34 1HD2 LEU 34 3.265 2.971 7.713 222 HD23 LEU 34 2HD2 LEU 34 3.792 1.797 6.507 223 H HIS 35 H HIS 35 4.550 5.731 3.623 224 HA HIS 35 HA HIS 35 7.308 4.890 3.329 225 HB2 HIS 35 1HB HIS 35 4.823 4.678 1.707 226 HB3 HIS 35 2HB HIS 35 6.356 4.646 0.841 227 HD1 HIS 35 HD1 HIS 35 7.787 3.050 3.286 228 HD2 HIS 35 HD2 HIS 35 4.374 1.961 1.183 229 HE1 HIS 35 HE1 HIS 35 7.601 0.556 3.550 230 H THR 36 H THR 36 6.214 7.800 3.597 231 HA THR 36 HA THR 36 7.582 8.909 1.238 232 HB THR 36 HB THR 36 5.654 10.296 3.111 233 HG1 THR 36 HG1 THR 36 5.139 9.719 0.398 234 HG21 THR 36 3HG2 THR 36 7.266 11.191 0.765 235 HG22 THR 36 1HG2 THR 36 6.905 12.037 2.269 236 HG23 THR 36 2HG2 THR 36 5.668 11.891 1.020 237 H GLY 37 H GLY 37 9.670 8.548 2.201 238 HA2 GLY 37 1HA GLY 37 10.808 10.779 3.384 239 HA3 GLY 37 2HA GLY 37 10.400 9.690 4.702 240 H GLN 38 H GLN 38 12.364 9.000 5.351 241 HA GLN 38 HA GLN 38 14.251 8.020 3.338 242 HB2 GLN 38 1HB GLN 38 15.122 9.595 4.998 243 HB3 GLN 38 2HB GLN 38 14.621 8.520 6.296 244 HG2 GLN 38 1HG GLN 38 16.901 8.130 6.075 245 HG3 GLN 38 2HG GLN 38 16.148 6.787 5.216 246 HE21 GLN 38 1HE2 GLN 38 16.811 6.388 3.225 247 HE22 GLN 38 2HE2 GLN 38 17.731 7.461 2.232 248 H ARG 39 H ARG 39 12.789 6.986 6.415 249 HA ARG 39 HA ARG 39 12.208 4.927 7.195 250 HB2 ARG 39 1HB ARG 39 11.250 4.687 4.874 251 HB3 ARG 39 2HB ARG 39 12.750 3.895 4.411 252 HG2 ARG 39 1HG ARG 39 12.273 1.994 5.575 253 HG3 ARG 39 2HG ARG 39 11.285 2.841 6.767 254 HD2 ARG 39 1HD ARG 39 9.765 1.577 5.497 255 HD3 ARG 39 2HD ARG 39 9.620 3.225 4.886 256 HE ARG 39 HE ARG 39 10.464 2.524 2.868 257 HH11 ARG 39 1HH1 ARG 39 10.946 0.042 5.262 258 HH12 ARG 39 2HH1 ARG 39 11.450 -1.152 4.112 259 HH21 ARG 39 1HH2 ARG 39 11.125 0.961 1.344 260 HH22 ARG 39 2HH2 ARG 39 11.552 -0.628 1.884 261 HA PRO 40 HA PRO 40 16.841 3.982 7.137 262 HB2 PRO 40 1HB PRO 40 17.404 4.967 9.604 263 HB3 PRO 40 2HB PRO 40 17.487 5.948 8.136 264 HG2 PRO 40 1HG PRO 40 15.306 5.778 10.180 265 HG3 PRO 40 2HG PRO 40 15.983 7.210 9.383 266 HD2 PRO 40 1HD PRO 40 13.645 6.082 8.612 267 HD3 PRO 40 2HD PRO 40 14.739 6.888 7.470 268 H SER 41 H SER 41 14.668 3.939 9.967 269 HA SER 41 HA SER 41 15.413 1.120 10.381 270 HB2 SER 41 1HB SER 41 15.232 1.497 12.824 271 HB3 SER 41 2HB SER 41 16.513 2.467 12.096 272 HG SER 41 HG SER 41 14.589 4.068 11.948 273 H GLY 42 H GLY 42 13.779 -0.032 11.803 274 HA2 GLY 42 1HA GLY 42 11.171 0.897 12.184 275 HA3 GLY 42 2HA GLY 42 11.231 0.139 10.599 276 HA PRO 43 HA PRO 43 12.151 -3.246 13.969 277 HB2 PRO 43 1HB PRO 43 11.278 -2.624 16.464 278 HB3 PRO 43 2HB PRO 43 12.918 -2.276 15.905 279 HG2 PRO 43 1HG PRO 43 10.552 -0.452 16.085 280 HG3 PRO 43 2HG PRO 43 12.240 -0.141 16.528 281 HD2 PRO 43 1HD PRO 43 11.162 0.724 14.200 282 HD3 PRO 43 2HD PRO 43 12.869 0.262 14.347 283 H SER 44 H SER 44 10.542 -4.364 12.908 284 HA SER 44 HA SER 44 8.096 -4.764 14.346 285 HB2 SER 44 1HB SER 44 8.102 -3.230 11.771 286 HB3 SER 44 2HB SER 44 6.745 -4.292 12.146 287 HG SER 44 HG SER 44 6.358 -2.193 12.912 288 H SER 45 H SER 45 7.338 -6.781 14.025 289 HA SER 45 HA SER 45 8.504 -8.323 11.800 290 HB2 SER 45 1HB SER 45 7.918 -9.150 14.643 291 HB3 SER 45 2HB SER 45 8.201 -10.322 13.356 292 HG SER 45 HG SER 45 10.123 -9.821 14.484 293 H GLY 46 H GLY 46 6.961 -8.568 10.310 294 HA2 GLY 46 1HA GLY 46 5.068 -9.800 9.555 295 HA3 GLY 46 2HA GLY 46 4.397 -9.706 11.177 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -27.351 -26.533 -0.943 2 HA2 GLY 1 1HA GLY 1 -26.957 -24.071 0.564 3 HA3 GLY 1 2HA GLY 1 -25.792 -25.353 0.862 4 H SER 2 H SER 2 -24.578 -23.263 0.030 5 HA SER 2 HA SER 2 -24.081 -23.722 -2.834 6 HB2 SER 2 1HB SER 2 -25.347 -21.526 -2.159 7 HB3 SER 2 2HB SER 2 -23.746 -20.983 -1.657 8 HG SER 2 HG SER 2 -24.746 -21.477 -4.202 9 H SER 3 H SER 3 -21.940 -23.466 -3.527 10 HA SER 3 HA SER 3 -19.950 -23.320 -1.357 11 HB2 SER 3 1HB SER 3 -20.306 -25.607 -2.433 12 HB3 SER 3 2HB SER 3 -19.600 -24.918 -3.895 13 HG SER 3 HG SER 3 -18.325 -24.903 -1.362 14 H GLY 4 H GLY 4 -18.367 -21.862 -1.574 15 HA2 GLY 4 1HA GLY 4 -18.112 -20.518 -4.194 16 HA3 GLY 4 2HA GLY 4 -17.919 -19.697 -2.653 17 H SER 5 H SER 5 -16.274 -20.920 -5.210 18 HA SER 5 HA SER 5 -14.108 -22.308 -4.205 19 HB2 SER 5 1HB SER 5 -14.432 -22.018 -6.595 20 HB3 SER 5 2HB SER 5 -14.170 -20.280 -6.452 21 HG SER 5 HG SER 5 -12.166 -21.951 -5.484 22 H SER 6 H SER 6 -12.598 -21.830 -2.767 23 HA SER 6 HA SER 6 -12.384 -19.273 -1.571 24 HB2 SER 6 1HB SER 6 -10.505 -21.643 -1.414 25 HB3 SER 6 2HB SER 6 -10.467 -20.240 -0.346 26 HG SER 6 HG SER 6 -12.548 -20.802 0.368 27 H GLY 7 H GLY 7 -11.941 -17.804 -3.252 28 HA2 GLY 7 1HA GLY 7 -9.239 -17.171 -3.637 29 HA3 GLY 7 2HA GLY 7 -9.798 -18.034 -5.063 30 H THR 8 H THR 8 -11.554 -15.740 -3.010 31 HA THR 8 HA THR 8 -11.728 -13.926 -5.327 32 HB THR 8 HB THR 8 -14.021 -13.357 -4.692 33 HG1 THR 8 HG1 THR 8 -13.776 -13.925 -2.431 34 HG21 THR 8 3HG2 THR 8 -13.206 -15.651 -5.966 35 HG22 THR 8 1HG2 THR 8 -14.857 -15.034 -5.927 36 HG23 THR 8 2HG2 THR 8 -14.346 -16.260 -4.766 37 H GLY 9 H GLY 9 -9.807 -13.718 -3.269 38 HA2 GLY 9 1HA GLY 9 -10.613 -11.925 -1.220 39 HA3 GLY 9 2HA GLY 9 -8.960 -12.237 -1.728 40 H GLU 10 H GLU 10 -10.352 -9.715 -1.011 41 HA GLU 10 HA GLU 10 -10.305 -8.259 -3.545 42 HB2 GLU 10 1HB GLU 10 -11.123 -7.416 -0.761 43 HB3 GLU 10 2HB GLU 10 -11.134 -6.349 -2.157 44 HG2 GLU 10 1HG GLU 10 -12.765 -7.793 -3.256 45 HG3 GLU 10 2HG GLU 10 -12.751 -8.870 -1.860 46 H LYS 11 H LYS 11 -7.842 -9.075 -3.133 47 HA LYS 11 HA LYS 11 -6.435 -6.651 -2.256 48 HB2 LYS 11 1HB LYS 11 -4.579 -8.380 -1.547 49 HB3 LYS 11 2HB LYS 11 -5.882 -7.956 -0.444 50 HG2 LYS 11 1HG LYS 11 -5.805 -10.254 -0.279 51 HG3 LYS 11 2HG LYS 11 -7.092 -10.001 -1.461 52 HD2 LYS 11 1HD LYS 11 -5.693 -11.750 -2.284 53 HD3 LYS 11 2HD LYS 11 -5.376 -10.315 -3.261 54 HE2 LYS 11 1HE LYS 11 -3.347 -9.875 -2.066 55 HE3 LYS 11 2HE LYS 11 -3.702 -11.146 -0.897 56 HZ1 LYS 11 3HZ LYS 11 -3.339 -11.691 -3.786 57 HZ2 LYS 11 1HZ LYS 11 -3.344 -12.802 -2.510 58 HZ3 LYS 11 2HZ LYS 11 -2.055 -11.721 -2.684 59 HA PRO 12 HA PRO 12 -5.203 -8.358 -6.493 60 HB2 PRO 12 1HB PRO 12 -6.127 -6.275 -7.968 61 HB3 PRO 12 2HB PRO 12 -7.113 -7.690 -7.580 62 HG2 PRO 12 1HG PRO 12 -7.069 -4.995 -6.275 63 HG3 PRO 12 2HG PRO 12 -8.460 -6.005 -6.710 64 HD2 PRO 12 1HD PRO 12 -7.495 -5.865 -4.185 65 HD3 PRO 12 2HD PRO 12 -8.237 -7.338 -4.843 66 H TYR 13 H TYR 13 -4.632 -5.726 -4.474 67 HA TYR 13 HA TYR 13 -2.125 -5.154 -5.857 68 HB2 TYR 13 1HB TYR 13 -2.435 -2.727 -5.637 69 HB3 TYR 13 2HB TYR 13 -3.674 -3.438 -6.666 70 HD1 TYR 13 HD1 TYR 13 -3.009 -2.019 -3.322 71 HD2 TYR 13 HD2 TYR 13 -5.979 -3.326 -6.074 72 HE1 TYR 13 HE1 TYR 13 -4.750 -0.991 -1.922 73 HE2 TYR 13 HE2 TYR 13 -7.728 -2.300 -4.682 74 HH TYR 13 HH TYR 13 -8.081 -0.793 -2.982 75 H LYS 14 H LYS 14 -0.563 -5.434 -4.425 76 HA LYS 14 HA LYS 14 -1.080 -4.721 -1.612 77 HB2 LYS 14 1HB LYS 14 -0.831 -7.095 -1.746 78 HB3 LYS 14 2HB LYS 14 0.587 -6.951 -2.776 79 HG2 LYS 14 1HG LYS 14 1.954 -6.292 -1.015 80 HG3 LYS 14 2HG LYS 14 0.585 -5.833 0.001 81 HD2 LYS 14 1HD LYS 14 1.252 -7.839 0.946 82 HD3 LYS 14 2HD LYS 14 -0.038 -8.350 -0.145 83 HE2 LYS 14 1HE LYS 14 1.557 -9.872 -0.721 84 HE3 LYS 14 2HE LYS 14 1.987 -8.576 -1.836 85 HZ1 LYS 14 3HZ LYS 14 3.362 -7.988 0.447 86 HZ2 LYS 14 1HZ LYS 14 4.005 -8.698 -0.948 87 HZ3 LYS 14 2HZ LYS 14 3.487 -9.672 0.335 88 H CYS 15 H CYS 15 0.532 -3.657 -0.466 89 HA CYS 15 HA CYS 15 2.055 -1.772 -1.800 90 HB2 CYS 15 1HB CYS 15 1.448 -1.649 0.597 91 HB3 CYS 15 2HB CYS 15 2.607 -2.929 0.940 92 H MET 16 H MET 16 4.041 -1.706 -2.683 93 HA MET 16 HA MET 16 5.530 -4.221 -2.811 94 HB2 MET 16 1HB MET 16 5.681 -1.693 -4.455 95 HB3 MET 16 2HB MET 16 6.790 -3.044 -4.649 96 HG2 MET 16 1HG MET 16 5.277 -3.532 -6.273 97 HG3 MET 16 2HG MET 16 4.571 -4.413 -4.921 98 HE1 MET 16 3HE MET 16 2.270 -4.652 -5.527 99 HE2 MET 16 1HE MET 16 1.168 -3.406 -6.115 100 HE3 MET 16 2HE MET 16 2.464 -3.998 -7.154 101 H GLU 17 H GLU 17 5.756 -0.963 -1.613 102 HA GLU 17 HA GLU 17 8.458 -0.592 -1.292 103 HB2 GLU 17 1HB GLU 17 6.245 0.134 0.634 104 HB3 GLU 17 2HB GLU 17 7.882 0.769 0.712 105 HG2 GLU 17 1HG GLU 17 6.164 1.082 -1.726 106 HG3 GLU 17 2HG GLU 17 6.116 2.224 -0.384 107 H CYS 18 H CYS 18 6.281 -2.106 1.095 108 HA CYS 18 HA CYS 18 8.640 -3.420 2.273 109 HB2 CYS 18 1HB CYS 18 7.288 -3.615 4.342 110 HB3 CYS 18 2HB CYS 18 7.537 -1.942 3.852 111 H GLY 19 H GLY 19 5.194 -3.915 1.533 112 HA2 GLY 19 1HA GLY 19 4.527 -5.894 0.303 113 HA3 GLY 19 2HA GLY 19 5.809 -6.771 1.124 114 H LYS 20 H LYS 20 3.255 -4.623 2.356 115 HA LYS 20 HA LYS 20 2.428 -6.811 4.146 116 HB2 LYS 20 1HB LYS 20 2.626 -3.859 4.503 117 HB3 LYS 20 2HB LYS 20 1.347 -4.707 5.361 118 HG2 LYS 20 1HG LYS 20 3.096 -6.222 6.304 119 HG3 LYS 20 2HG LYS 20 4.311 -5.166 5.581 120 HD2 LYS 20 1HD LYS 20 3.730 -3.364 6.963 121 HD3 LYS 20 2HD LYS 20 2.183 -4.090 7.406 122 HE2 LYS 20 1HE LYS 20 3.428 -4.479 9.302 123 HE3 LYS 20 2HE LYS 20 3.682 -5.977 8.408 124 HZ1 LYS 20 3HZ LYS 20 5.732 -4.746 7.488 125 HZ2 LYS 20 1HZ LYS 20 5.802 -5.396 9.048 126 HZ3 LYS 20 2HZ LYS 20 5.546 -3.738 8.833 127 H ALA 21 H ALA 21 0.183 -7.088 4.574 128 HA ALA 21 HA ALA 21 -1.514 -6.196 2.344 129 HB1 ALA 21 3HB ALA 21 -2.870 -8.130 2.718 130 HB2 ALA 21 1HB ALA 21 -1.184 -8.648 2.667 131 HB3 ALA 21 2HB ALA 21 -2.016 -8.503 4.216 132 H PHE 22 H PHE 22 -3.911 -6.068 2.972 133 HA PHE 22 HA PHE 22 -4.424 -5.162 5.673 134 HB2 PHE 22 1HB PHE 22 -4.846 -3.252 3.367 135 HB3 PHE 22 2HB PHE 22 -5.148 -2.937 5.072 136 HD1 PHE 22 HD1 PHE 22 -2.490 -3.586 2.588 137 HD2 PHE 22 HD2 PHE 22 -3.440 -2.165 6.486 138 HE1 PHE 22 HE1 PHE 22 -0.199 -2.720 2.827 139 HE2 PHE 22 HE2 PHE 22 -1.151 -1.296 6.731 140 HZ PHE 22 HZ PHE 22 0.473 -1.572 4.900 141 H GLY 23 H GLY 23 -6.799 -4.265 5.743 142 HA2 GLY 23 1HA GLY 23 -8.426 -6.179 4.198 143 HA3 GLY 23 2HA GLY 23 -8.851 -5.545 5.780 144 H ASP 24 H ASP 24 -8.438 -2.842 5.413 145 HA ASP 24 HA ASP 24 -10.539 -2.213 3.451 146 HB2 ASP 24 1HB ASP 24 -9.738 -0.879 6.035 147 HB3 ASP 24 2HB ASP 24 -10.789 -0.098 4.857 148 H ASN 25 H ASN 25 -10.390 -0.141 2.339 149 HA ASN 25 HA ASN 25 -7.829 0.240 1.177 150 HB2 ASN 25 1HB ASN 25 -10.119 0.630 0.099 151 HB3 ASN 25 2HB ASN 25 -10.135 2.170 0.953 152 HD21 ASN 25 1HD2 ASN 25 -8.948 0.420 -1.720 153 HD22 ASN 25 2HD2 ASN 25 -7.997 1.682 -2.418 154 H SER 26 H SER 26 -9.768 2.147 3.451 155 HA SER 26 HA SER 26 -8.320 4.442 3.669 156 HB2 SER 26 1HB SER 26 -9.827 2.818 5.683 157 HB3 SER 26 2HB SER 26 -8.909 4.222 6.228 158 HG SER 26 HG SER 26 -10.322 5.498 5.317 159 H SER 27 H SER 27 -7.676 1.438 5.471 160 HA SER 27 HA SER 27 -5.432 2.284 6.869 161 HB2 SER 27 1HB SER 27 -4.876 -0.068 7.131 162 HB3 SER 27 2HB SER 27 -6.624 0.133 7.252 163 HG SER 27 HG SER 27 -6.804 -1.174 5.632 164 H CYS 28 H CYS 28 -5.657 0.873 3.628 165 HA CYS 28 HA CYS 28 -2.879 0.745 3.143 166 HB2 CYS 28 1HB CYS 28 -4.865 -0.350 1.861 167 HB3 CYS 28 2HB CYS 28 -4.886 1.154 0.949 168 HG CYS 28 HG CYS 28 -2.197 0.876 0.104 169 H THR 29 H THR 29 -5.307 3.227 2.487 170 HA THR 29 HA THR 29 -3.915 4.972 0.898 171 HB THR 29 HB THR 29 -5.711 5.748 3.205 172 HG1 THR 29 HG1 THR 29 -7.219 4.915 1.990 173 HG21 THR 29 3HG2 THR 29 -4.269 7.303 1.242 174 HG22 THR 29 1HG2 THR 29 -5.214 7.846 2.628 175 HG23 THR 29 2HG2 THR 29 -6.010 7.538 1.085 176 H GLN 30 H GLN 30 -4.133 5.411 4.433 177 HA GLN 30 HA GLN 30 -2.131 7.292 4.686 178 HB2 GLN 30 1HB GLN 30 -2.110 6.814 7.012 179 HB3 GLN 30 2HB GLN 30 -3.755 6.525 6.462 180 HG2 GLN 30 1HG GLN 30 -3.283 4.117 6.370 181 HG3 GLN 30 2HG GLN 30 -1.658 4.429 6.978 182 HE21 GLN 30 1HE2 GLN 30 -3.921 2.878 8.089 183 HE22 GLN 30 2HE2 GLN 30 -4.178 3.520 9.672 184 H HIS 31 H HIS 31 -1.857 3.763 4.764 185 HA HIS 31 HA HIS 31 0.722 3.372 5.525 186 HB2 HIS 31 1HB HIS 31 -0.916 1.601 4.821 187 HB3 HIS 31 2HB HIS 31 -0.521 1.980 3.147 188 HD1 HIS 31 HD1 HIS 31 1.112 0.644 6.289 189 HD2 HIS 31 HD2 HIS 31 1.707 0.726 2.178 190 HE1 HIS 31 HE1 HIS 31 3.056 -0.892 5.861 191 H GLN 32 H GLN 32 -0.242 3.853 2.121 192 HA GLN 32 HA GLN 32 2.228 3.994 0.958 193 HB2 GLN 32 1HB GLN 32 -0.087 4.169 -0.128 194 HB3 GLN 32 2HB GLN 32 0.024 5.895 0.190 195 HG2 GLN 32 1HG GLN 32 2.044 4.340 -1.406 196 HG3 GLN 32 2HG GLN 32 0.689 5.224 -2.106 197 HE21 GLN 32 1HE2 GLN 32 0.560 7.560 -1.349 198 HE22 GLN 32 2HE2 GLN 32 2.050 8.433 -1.318 199 H ARG 33 H ARG 33 0.435 6.705 2.405 200 HA ARG 33 HA ARG 33 2.314 8.705 1.908 201 HB2 ARG 33 1HB ARG 33 -0.058 8.976 2.769 202 HB3 ARG 33 2HB ARG 33 0.565 8.567 4.362 203 HG2 ARG 33 1HG ARG 33 1.679 10.548 4.591 204 HG3 ARG 33 2HG ARG 33 1.881 10.761 2.851 205 HD2 ARG 33 1HD ARG 33 0.306 12.389 3.688 206 HD3 ARG 33 2HD ARG 33 -0.532 11.229 2.658 207 HE ARG 33 HE ARG 33 -0.642 10.465 5.396 208 HH11 ARG 33 1HH1 ARG 33 -2.032 12.630 3.051 209 HH12 ARG 33 2HH1 ARG 33 -3.546 12.768 3.882 210 HH21 ARG 33 1HH2 ARG 33 -2.631 10.638 6.500 211 HH22 ARG 33 2HH2 ARG 33 -3.885 11.635 5.845 212 H LEU 34 H LEU 34 1.933 6.626 4.769 213 HA LEU 34 HA LEU 34 3.909 7.635 6.385 214 HB2 LEU 34 1HB LEU 34 2.904 4.848 5.952 215 HB3 LEU 34 2HB LEU 34 4.204 5.167 7.098 216 HG LEU 34 HG LEU 34 1.596 6.629 7.303 217 HD11 LEU 34 1HD1 LEU 34 0.469 4.870 8.062 218 HD12 LEU 34 2HD1 LEU 34 1.816 4.350 9.074 219 HD13 LEU 34 3HD1 LEU 34 1.749 3.866 7.380 220 HD21 LEU 34 3HD2 LEU 34 3.201 7.557 8.716 221 HD22 LEU 34 1HD2 LEU 34 3.893 5.986 9.119 222 HD23 LEU 34 2HD2 LEU 34 2.317 6.446 9.763 223 H HIS 35 H HIS 35 4.262 5.324 3.724 224 HA HIS 35 HA HIS 35 6.976 4.748 4.046 225 HB2 HIS 35 1HB HIS 35 5.038 4.603 1.795 226 HB3 HIS 35 2HB HIS 35 6.749 4.510 1.392 227 HD1 HIS 35 HD1 HIS 35 8.033 2.404 2.146 228 HD2 HIS 35 HD2 HIS 35 4.007 2.389 3.170 229 HE1 HIS 35 HE1 HIS 35 7.529 0.045 2.857 230 H THR 36 H THR 36 5.377 7.342 2.245 231 HA THR 36 HA THR 36 7.873 8.443 1.311 232 HB THR 36 HB THR 36 5.094 9.634 1.220 233 HG1 THR 36 HG1 THR 36 5.588 8.941 -1.133 234 HG21 THR 36 3HG2 THR 36 7.730 10.461 0.062 235 HG22 THR 36 1HG2 THR 36 6.511 11.443 0.874 236 HG23 THR 36 2HG2 THR 36 6.227 10.864 -0.768 237 H GLY 37 H GLY 37 9.160 9.225 2.895 238 HA2 GLY 37 1HA GLY 37 8.938 11.691 3.975 239 HA3 GLY 37 2HA GLY 37 8.065 10.697 5.132 240 H GLN 38 H GLN 38 9.185 9.263 6.443 241 HA GLN 38 HA GLN 38 10.945 8.795 7.838 242 HB2 GLN 38 1HB GLN 38 11.795 8.063 5.072 243 HB3 GLN 38 2HB GLN 38 12.972 7.933 6.372 244 HG2 GLN 38 1HG GLN 38 11.806 6.258 7.444 245 HG3 GLN 38 2HG GLN 38 10.277 6.692 6.681 246 HE21 GLN 38 1HE2 GLN 38 12.290 4.275 6.835 247 HE22 GLN 38 2HE2 GLN 38 12.246 3.672 5.217 248 H ARG 39 H ARG 39 10.769 11.533 7.422 249 HA ARG 39 HA ARG 39 12.969 12.895 6.503 250 HB2 ARG 39 1HB ARG 39 11.072 13.411 8.766 251 HB3 ARG 39 2HB ARG 39 12.434 14.492 8.501 252 HG2 ARG 39 1HG ARG 39 10.403 13.817 6.387 253 HG3 ARG 39 2HG ARG 39 10.290 15.219 7.454 254 HD2 ARG 39 1HD ARG 39 12.716 15.689 6.599 255 HD3 ARG 39 2HD ARG 39 12.232 14.649 5.259 256 HE ARG 39 HE ARG 39 10.397 16.798 5.869 257 HH11 ARG 39 1HH1 ARG 39 13.144 15.761 3.998 258 HH12 ARG 39 2HH1 ARG 39 12.915 16.950 2.759 259 HH21 ARG 39 1HH2 ARG 39 10.085 18.369 4.244 260 HH22 ARG 39 2HH2 ARG 39 11.175 18.434 2.901 261 HA PRO 40 HA PRO 40 16.371 11.690 9.021 262 HB2 PRO 40 1HB PRO 40 17.942 13.882 8.710 263 HB3 PRO 40 2HB PRO 40 17.704 12.682 7.435 264 HG2 PRO 40 1HG PRO 40 16.384 15.344 7.801 265 HG3 PRO 40 2HG PRO 40 17.014 14.602 6.318 266 HD2 PRO 40 1HD PRO 40 14.378 14.605 6.940 267 HD3 PRO 40 2HD PRO 40 15.144 13.284 6.034 268 H SER 41 H SER 41 17.288 12.043 11.046 269 HA SER 41 HA SER 41 15.816 13.917 12.737 270 HB2 SER 41 1HB SER 41 17.704 11.675 13.500 271 HB3 SER 41 2HB SER 41 16.736 12.633 14.620 272 HG SER 41 HG SER 41 16.028 10.454 13.250 273 H GLY 42 H GLY 42 16.820 15.868 12.202 274 HA2 GLY 42 1HA GLY 42 18.347 17.556 12.507 275 HA3 GLY 42 2HA GLY 42 19.090 16.544 13.737 276 HA PRO 43 HA PRO 43 21.178 15.610 9.439 277 HB2 PRO 43 1HB PRO 43 20.969 17.632 7.640 278 HB3 PRO 43 2HB PRO 43 19.819 16.293 7.716 279 HG2 PRO 43 1HG PRO 43 19.579 19.061 8.829 280 HG3 PRO 43 2HG PRO 43 18.366 18.090 7.975 281 HD2 PRO 43 1HD PRO 43 18.390 18.350 10.670 282 HD3 PRO 43 2HD PRO 43 17.831 16.873 9.858 283 H SER 44 H SER 44 23.268 16.280 8.758 284 HA SER 44 HA SER 44 24.348 18.505 10.353 285 HB2 SER 44 1HB SER 44 25.199 16.096 10.679 286 HB3 SER 44 2HB SER 44 25.993 16.302 9.118 287 HG SER 44 HG SER 44 27.168 18.004 9.971 288 H SER 45 H SER 45 24.002 20.190 8.931 289 HA SER 45 HA SER 45 25.234 19.985 6.273 290 HB2 SER 45 1HB SER 45 23.909 21.930 5.663 291 HB3 SER 45 2HB SER 45 22.858 20.715 6.390 292 HG SER 45 HG SER 45 22.992 23.171 7.104 293 H GLY 46 H GLY 46 27.038 20.154 8.326 294 HA2 GLY 46 1HA GLY 46 28.858 21.352 9.050 295 HA3 GLY 46 2HA GLY 46 28.656 22.296 7.581 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -4.205 -20.992 -5.957 2 HA2 GLY 1 1HA GLY 1 -6.407 -20.339 -7.819 3 HA3 GLY 1 2HA GLY 1 -5.383 -19.119 -7.076 4 H SER 2 H SER 2 -3.119 -19.067 -7.683 5 HA SER 2 HA SER 2 -2.590 -18.855 -10.311 6 HB2 SER 2 1HB SER 2 -0.765 -19.672 -8.060 7 HB3 SER 2 2HB SER 2 -0.153 -19.456 -9.700 8 HG SER 2 HG SER 2 -1.396 -17.320 -9.445 9 H SER 3 H SER 3 -3.136 -20.274 -11.845 10 HA SER 3 HA SER 3 -3.460 -22.964 -11.736 11 HB2 SER 3 1HB SER 3 -3.745 -21.288 -13.725 12 HB3 SER 3 2HB SER 3 -2.118 -21.810 -14.160 13 HG SER 3 HG SER 3 -4.276 -23.590 -13.696 14 H GLY 4 H GLY 4 -0.423 -21.392 -12.769 15 HA2 GLY 4 1HA GLY 4 1.129 -23.431 -11.427 16 HA3 GLY 4 2HA GLY 4 1.209 -23.504 -13.181 17 H SER 5 H SER 5 1.358 -20.972 -10.670 18 HA SER 5 HA SER 5 3.989 -20.183 -11.590 19 HB2 SER 5 1HB SER 5 1.689 -18.218 -11.710 20 HB3 SER 5 2HB SER 5 3.379 -17.868 -12.067 21 HG SER 5 HG SER 5 2.191 -18.250 -13.972 22 H SER 6 H SER 6 4.751 -18.213 -10.275 23 HA SER 6 HA SER 6 4.136 -18.778 -7.488 24 HB2 SER 6 1HB SER 6 6.121 -17.421 -6.990 25 HB3 SER 6 2HB SER 6 6.493 -18.654 -8.195 26 HG SER 6 HG SER 6 7.122 -16.264 -8.495 27 H GLY 7 H GLY 7 2.030 -17.533 -8.793 28 HA2 GLY 7 1HA GLY 7 0.549 -15.918 -7.863 29 HA3 GLY 7 2HA GLY 7 1.942 -14.995 -7.319 30 H THR 8 H THR 8 -0.509 -14.413 -9.048 31 HA THR 8 HA THR 8 0.130 -13.957 -11.687 32 HB THR 8 HB THR 8 -1.457 -11.990 -11.556 33 HG1 THR 8 HG1 THR 8 -1.809 -11.218 -9.626 34 HG21 THR 8 3HG2 THR 8 -2.688 -14.352 -10.193 35 HG22 THR 8 1HG2 THR 8 -2.034 -14.520 -11.822 36 HG23 THR 8 2HG2 THR 8 -3.325 -13.360 -11.504 37 H GLY 9 H GLY 9 0.727 -11.808 -8.914 38 HA2 GLY 9 1HA GLY 9 3.157 -10.845 -9.440 39 HA3 GLY 9 2HA GLY 9 2.196 -9.953 -10.610 40 H GLU 10 H GLU 10 2.637 -7.961 -9.654 41 HA GLU 10 HA GLU 10 2.393 -7.342 -6.946 42 HB2 GLU 10 1HB GLU 10 2.164 -5.000 -7.678 43 HB3 GLU 10 2HB GLU 10 3.466 -5.831 -8.517 44 HG2 GLU 10 1HG GLU 10 1.574 -6.268 -10.299 45 HG3 GLU 10 2HG GLU 10 0.871 -4.834 -9.553 46 H LYS 11 H LYS 11 0.740 -6.364 -5.736 47 HA LYS 11 HA LYS 11 -1.968 -6.892 -6.767 48 HB2 LYS 11 1HB LYS 11 -1.020 -6.778 -3.898 49 HB3 LYS 11 2HB LYS 11 -2.662 -7.123 -4.423 50 HG2 LYS 11 1HG LYS 11 -0.425 -8.831 -5.404 51 HG3 LYS 11 2HG LYS 11 -1.048 -9.060 -3.769 52 HD2 LYS 11 1HD LYS 11 -3.326 -9.302 -4.729 53 HD3 LYS 11 2HD LYS 11 -2.616 -9.211 -6.342 54 HE2 LYS 11 1HE LYS 11 -1.617 -11.222 -4.365 55 HE3 LYS 11 2HE LYS 11 -3.097 -11.532 -5.272 56 HZ1 LYS 11 3HZ LYS 11 -1.966 -11.617 -7.259 57 HZ2 LYS 11 1HZ LYS 11 -0.841 -12.322 -6.210 58 HZ3 LYS 11 2HZ LYS 11 -0.654 -10.712 -6.693 59 HA PRO 12 HA PRO 12 -2.868 -2.590 -6.572 60 HB2 PRO 12 1HB PRO 12 -5.565 -2.713 -6.285 61 HB3 PRO 12 2HB PRO 12 -4.744 -3.076 -7.808 62 HG2 PRO 12 1HG PRO 12 -5.789 -4.955 -5.725 63 HG3 PRO 12 2HG PRO 12 -5.907 -5.064 -7.491 64 HD2 PRO 12 1HD PRO 12 -4.086 -6.470 -6.062 65 HD3 PRO 12 2HD PRO 12 -3.765 -5.888 -7.708 66 H TYR 13 H TYR 13 -3.985 -4.749 -4.044 67 HA TYR 13 HA TYR 13 -4.130 -2.460 -2.195 68 HB2 TYR 13 1HB TYR 13 -5.457 -4.210 -0.778 69 HB3 TYR 13 2HB TYR 13 -6.259 -3.376 -2.104 70 HD1 TYR 13 HD1 TYR 13 -3.946 -6.309 -2.068 71 HD2 TYR 13 HD2 TYR 13 -7.820 -4.824 -3.010 72 HE1 TYR 13 HE1 TYR 13 -4.526 -8.478 -3.072 73 HE2 TYR 13 HE2 TYR 13 -8.412 -6.989 -4.016 74 HH TYR 13 HH TYR 13 -6.058 -9.644 -4.178 75 H LYS 14 H LYS 14 -1.646 -3.454 -2.777 76 HA LYS 14 HA LYS 14 -0.874 -4.574 -0.192 77 HB2 LYS 14 1HB LYS 14 -1.105 -6.440 -1.891 78 HB3 LYS 14 2HB LYS 14 0.228 -5.699 -2.766 79 HG2 LYS 14 1HG LYS 14 1.341 -7.268 -1.534 80 HG3 LYS 14 2HG LYS 14 1.446 -5.874 -0.456 81 HD2 LYS 14 1HD LYS 14 -0.448 -6.692 0.825 82 HD3 LYS 14 2HD LYS 14 -0.640 -8.050 -0.287 83 HE2 LYS 14 1HE LYS 14 1.941 -7.592 1.168 84 HE3 LYS 14 2HE LYS 14 0.599 -8.433 1.944 85 HZ1 LYS 14 3HZ LYS 14 0.756 -9.687 -0.427 86 HZ2 LYS 14 1HZ LYS 14 1.493 -10.232 0.995 87 HZ3 LYS 14 2HZ LYS 14 2.386 -9.340 -0.131 88 H CYS 15 H CYS 15 0.583 -3.244 0.639 89 HA CYS 15 HA CYS 15 1.870 -1.198 -0.773 90 HB2 CYS 15 1HB CYS 15 1.548 -1.039 1.618 91 HB3 CYS 15 2HB CYS 15 2.549 -2.462 1.888 92 H MET 16 H MET 16 3.166 -1.660 -2.453 93 HA MET 16 HA MET 16 4.845 -3.927 -2.623 94 HB2 MET 16 1HB MET 16 3.923 -2.382 -4.498 95 HB3 MET 16 2HB MET 16 5.346 -1.402 -4.168 96 HG2 MET 16 1HG MET 16 6.811 -3.112 -4.827 97 HG3 MET 16 2HG MET 16 5.539 -4.331 -4.776 98 HE1 MET 16 3HE MET 16 7.765 -2.598 -6.532 99 HE2 MET 16 1HE MET 16 7.360 -3.123 -8.167 100 HE3 MET 16 2HE MET 16 7.001 -1.474 -7.656 101 H GLU 17 H GLU 17 5.441 -0.563 -1.705 102 HA GLU 17 HA GLU 17 8.099 -0.300 -1.601 103 HB2 GLU 17 1HB GLU 17 5.961 0.524 0.295 104 HB3 GLU 17 2HB GLU 17 7.626 0.704 0.829 105 HG2 GLU 17 1HG GLU 17 6.504 1.861 -1.712 106 HG3 GLU 17 2HG GLU 17 6.699 2.743 -0.198 107 H CYS 18 H CYS 18 6.259 -1.958 0.963 108 HA CYS 18 HA CYS 18 8.750 -3.336 1.725 109 HB2 CYS 18 1HB CYS 18 7.869 -3.516 3.983 110 HB3 CYS 18 2HB CYS 18 7.857 -1.830 3.476 111 H GLY 19 H GLY 19 5.229 -3.700 1.441 112 HA2 GLY 19 1HA GLY 19 4.429 -5.666 0.210 113 HA3 GLY 19 2HA GLY 19 5.678 -6.591 1.030 114 H LYS 20 H LYS 20 3.199 -4.290 2.153 115 HA LYS 20 HA LYS 20 2.391 -6.298 4.148 116 HB2 LYS 20 1HB LYS 20 3.276 -4.044 4.920 117 HB3 LYS 20 2HB LYS 20 1.813 -3.338 4.246 118 HG2 LYS 20 1HG LYS 20 1.153 -3.602 6.404 119 HG3 LYS 20 2HG LYS 20 0.654 -5.166 5.755 120 HD2 LYS 20 1HD LYS 20 3.417 -4.912 6.824 121 HD3 LYS 20 2HD LYS 20 2.083 -4.962 7.979 122 HE2 LYS 20 1HE LYS 20 1.302 -7.027 6.651 123 HE3 LYS 20 2HE LYS 20 2.936 -7.036 5.987 124 HZ1 LYS 20 3HZ LYS 20 2.108 -7.387 8.806 125 HZ2 LYS 20 1HZ LYS 20 3.701 -7.005 8.383 126 HZ3 LYS 20 2HZ LYS 20 3.003 -8.445 7.836 127 H ALA 21 H ALA 21 0.201 -6.719 4.507 128 HA ALA 21 HA ALA 21 -1.580 -5.865 2.320 129 HB1 ALA 21 3HB ALA 21 -2.787 -8.081 3.329 130 HB2 ALA 21 1HB ALA 21 -1.686 -8.075 1.951 131 HB3 ALA 21 2HB ALA 21 -1.084 -8.475 3.560 132 H PHE 22 H PHE 22 -3.729 -5.333 2.798 133 HA PHE 22 HA PHE 22 -4.479 -5.131 5.617 134 HB2 PHE 22 1HB PHE 22 -4.423 -2.804 3.687 135 HB3 PHE 22 2HB PHE 22 -5.263 -2.776 5.235 136 HD1 PHE 22 HD2 PHE 22 -4.005 -2.805 7.332 137 HD2 PHE 22 HD1 PHE 22 -2.044 -2.638 3.558 138 HE1 PHE 22 HE2 PHE 22 -1.929 -2.097 8.446 139 HE2 PHE 22 HE1 PHE 22 0.036 -1.930 4.666 140 HZ PHE 22 HZ PHE 22 0.095 -1.658 7.113 141 H GLY 23 H GLY 23 -6.751 -4.859 5.969 142 HA2 GLY 23 1HA GLY 23 -8.328 -6.212 3.972 143 HA3 GLY 23 2HA GLY 23 -8.877 -5.682 5.555 144 H ASP 24 H ASP 24 -8.579 -3.038 5.576 145 HA ASP 24 HA ASP 24 -10.544 -2.178 3.619 146 HB2 ASP 24 1HB ASP 24 -9.325 -0.745 5.989 147 HB3 ASP 24 2HB ASP 24 -10.599 -0.088 4.965 148 H ASN 25 H ASN 25 -10.291 -0.154 2.439 149 HA ASN 25 HA ASN 25 -7.759 -0.044 1.111 150 HB2 ASN 25 1HB ASN 25 -10.330 1.501 0.846 151 HB3 ASN 25 2HB ASN 25 -8.891 1.956 -0.063 152 HD21 ASN 25 1HD2 ASN 25 -11.292 1.163 -1.240 153 HD22 ASN 25 2HD2 ASN 25 -11.029 -0.328 -2.073 154 H SER 26 H SER 26 -9.545 2.136 3.265 155 HA SER 26 HA SER 26 -7.939 4.352 3.245 156 HB2 SER 26 1HB SER 26 -10.086 3.901 4.596 157 HB3 SER 26 2HB SER 26 -9.014 3.252 5.836 158 HG SER 26 HG SER 26 -7.914 5.311 5.757 159 H SER 27 H SER 27 -7.497 1.434 5.224 160 HA SER 27 HA SER 27 -5.210 2.270 6.601 161 HB2 SER 27 1HB SER 27 -6.620 0.245 7.125 162 HB3 SER 27 2HB SER 27 -5.825 -0.576 5.781 163 HG SER 27 HG SER 27 -4.828 -0.978 7.830 164 H CYS 28 H CYS 28 -5.624 1.010 3.381 165 HA CYS 28 HA CYS 28 -2.844 0.435 2.955 166 HB2 CYS 28 1HB CYS 28 -4.530 -0.785 1.698 167 HB3 CYS 28 2HB CYS 28 -5.147 0.714 1.014 168 HG CYS 28 HG CYS 28 -1.925 0.413 0.366 169 H THR 29 H THR 29 -5.013 2.823 1.429 170 HA THR 29 HA THR 29 -3.165 4.348 0.118 171 HB THR 29 HB THR 29 -5.756 4.614 0.285 172 HG1 THR 29 HG1 THR 29 -3.940 6.789 -0.024 173 HG21 THR 29 3HG2 THR 29 -5.584 5.258 2.737 174 HG22 THR 29 1HG2 THR 29 -6.568 6.310 1.720 175 HG23 THR 29 2HG2 THR 29 -4.939 6.803 2.184 176 H GLN 30 H GLN 30 -4.031 4.513 3.537 177 HA GLN 30 HA GLN 30 -2.412 6.800 4.089 178 HB2 GLN 30 1HB GLN 30 -3.809 4.762 5.799 179 HB3 GLN 30 2HB GLN 30 -2.740 5.963 6.512 180 HG2 GLN 30 1HG GLN 30 -5.145 6.591 4.817 181 HG3 GLN 30 2HG GLN 30 -5.115 6.606 6.579 182 HE21 GLN 30 1HE2 GLN 30 -5.024 8.529 3.973 183 HE22 GLN 30 2HE2 GLN 30 -4.138 9.870 4.607 184 H HIS 31 H HIS 31 -2.015 3.308 4.569 185 HA HIS 31 HA HIS 31 0.431 3.338 5.892 186 HB2 HIS 31 1HB HIS 31 -0.857 1.300 5.703 187 HB3 HIS 31 2HB HIS 31 -0.686 1.307 3.950 188 HD1 HIS 31 HD1 HIS 31 0.907 0.105 7.009 189 HD2 HIS 31 HD2 HIS 31 2.037 0.783 3.069 190 HE1 HIS 31 HE1 HIS 31 3.063 -1.152 6.702 191 H GLN 32 H GLN 32 -0.316 3.794 2.518 192 HA GLN 32 HA GLN 32 2.349 3.430 1.558 193 HB2 GLN 32 1HB GLN 32 0.076 3.344 0.273 194 HB3 GLN 32 2HB GLN 32 0.302 5.082 0.123 195 HG2 GLN 32 1HG GLN 32 2.079 4.875 -1.288 196 HG3 GLN 32 2HG GLN 32 2.555 3.307 -0.638 197 HE21 GLN 32 1HE2 GLN 32 2.758 2.788 -2.938 198 HE22 GLN 32 2HE2 GLN 32 1.356 2.250 -3.792 199 H ARG 33 H ARG 33 0.668 5.999 3.087 200 HA ARG 33 HA ARG 33 2.251 8.147 2.058 201 HB2 ARG 33 1HB ARG 33 0.019 8.565 2.938 202 HB3 ARG 33 2HB ARG 33 0.506 7.972 4.520 203 HG2 ARG 33 1HG ARG 33 0.681 10.206 4.883 204 HG3 ARG 33 2HG ARG 33 2.312 9.884 4.289 205 HD2 ARG 33 1HD ARG 33 1.321 11.867 3.235 206 HD3 ARG 33 2HD ARG 33 1.669 10.598 2.062 207 HE ARG 33 HE ARG 33 -0.983 10.320 2.917 208 HH11 ARG 33 1HH1 ARG 33 1.005 12.511 1.082 209 HH12 ARG 33 2HH1 ARG 33 -0.299 13.066 0.086 210 HH21 ARG 33 1HH2 ARG 33 -2.708 11.042 1.611 211 HH22 ARG 33 2HH2 ARG 33 -2.411 12.230 0.388 212 H LEU 34 H LEU 34 2.312 6.191 5.009 213 HA LEU 34 HA LEU 34 4.341 7.556 6.358 214 HB2 LEU 34 1HB LEU 34 4.348 5.816 7.836 215 HB3 LEU 34 2HB LEU 34 2.777 5.584 7.072 216 HG LEU 34 HG LEU 34 4.221 3.985 5.504 217 HD11 LEU 34 1HD1 LEU 34 5.581 3.475 8.107 218 HD12 LEU 34 2HD1 LEU 34 6.244 4.679 7.003 219 HD13 LEU 34 3HD1 LEU 34 6.058 3.007 6.475 220 HD21 LEU 34 3HD2 LEU 34 3.694 2.183 7.342 221 HD22 LEU 34 1HD2 LEU 34 2.394 3.010 6.484 222 HD23 LEU 34 2HD2 LEU 34 2.848 3.528 8.107 223 H HIS 35 H HIS 35 4.472 5.541 3.585 224 HA HIS 35 HA HIS 35 7.295 4.936 3.865 225 HB2 HIS 35 1HB HIS 35 5.125 4.182 1.974 226 HB3 HIS 35 2HB HIS 35 6.775 4.151 1.361 227 HD1 HIS 35 HD1 HIS 35 8.350 2.339 2.288 228 HD2 HIS 35 HD2 HIS 35 4.522 2.226 3.898 229 HE1 HIS 35 HE1 HIS 35 8.195 0.141 3.501 230 H THR 36 H THR 36 5.733 7.665 3.174 231 HA THR 36 HA THR 36 7.153 8.500 0.807 232 HB THR 36 HB THR 36 5.419 10.042 2.743 233 HG1 THR 36 HG1 THR 36 3.851 9.467 1.438 234 HG21 THR 36 3HG2 THR 36 6.075 11.951 1.803 235 HG22 THR 36 1HG2 THR 36 5.744 11.313 0.193 236 HG23 THR 36 2HG2 THR 36 7.324 11.059 0.935 237 H GLY 37 H GLY 37 7.298 9.219 4.283 238 HA2 GLY 37 1HA GLY 37 9.399 9.534 5.391 239 HA3 GLY 37 2HA GLY 37 10.064 10.134 3.879 240 H GLN 38 H GLN 38 10.838 11.852 5.382 241 HA GLN 38 HA GLN 38 9.218 13.638 6.730 242 HB2 GLN 38 1HB GLN 38 11.817 13.485 6.526 243 HB3 GLN 38 2HB GLN 38 11.601 14.622 5.202 244 HG2 GLN 38 1HG GLN 38 10.315 16.063 6.846 245 HG3 GLN 38 2HG GLN 38 10.946 15.001 8.104 246 HE21 GLN 38 1HE2 GLN 38 11.398 17.891 6.865 247 HE22 GLN 38 2HE2 GLN 38 13.111 18.060 7.005 248 H ARG 39 H ARG 39 8.067 15.449 6.207 249 HA ARG 39 HA ARG 39 7.792 16.056 3.336 250 HB2 ARG 39 1HB ARG 39 5.802 14.898 4.062 251 HB3 ARG 39 2HB ARG 39 5.641 15.960 5.454 252 HG2 ARG 39 1HG ARG 39 5.405 17.857 3.769 253 HG3 ARG 39 2HG ARG 39 5.177 16.591 2.561 254 HD2 ARG 39 1HD ARG 39 3.556 16.660 5.084 255 HD3 ARG 39 2HD ARG 39 3.094 17.609 3.672 256 HE ARG 39 HE ARG 39 3.552 14.912 2.947 257 HH11 ARG 39 1HH1 ARG 39 1.255 16.964 4.570 258 HH12 ARG 39 2HH1 ARG 39 -0.102 15.949 4.212 259 HH21 ARG 39 1HH2 ARG 39 1.773 13.567 2.469 260 HH22 ARG 39 2HH2 ARG 39 0.194 14.016 3.018 261 HA PRO 40 HA PRO 40 9.136 19.896 5.510 262 HB2 PRO 40 1HB PRO 40 10.756 20.726 3.495 263 HB3 PRO 40 2HB PRO 40 11.285 19.602 4.752 264 HG2 PRO 40 1HG PRO 40 10.362 19.028 1.963 265 HG3 PRO 40 2HG PRO 40 11.724 18.328 2.857 266 HD2 PRO 40 1HD PRO 40 9.356 17.046 2.573 267 HD3 PRO 40 2HD PRO 40 10.374 16.863 4.015 268 H SER 41 H SER 41 7.185 20.969 5.357 269 HA SER 41 HA SER 41 5.651 21.570 3.196 270 HB2 SER 41 1HB SER 41 6.234 23.150 5.688 271 HB3 SER 41 2HB SER 41 5.128 23.773 4.464 272 HG SER 41 HG SER 41 4.176 22.478 6.211 273 H GLY 42 H GLY 42 6.386 22.221 1.268 274 HA2 GLY 42 1HA GLY 42 6.843 24.312 0.036 275 HA3 GLY 42 2HA GLY 42 8.108 24.624 1.216 276 HA PRO 43 HA PRO 43 9.547 21.039 -1.748 277 HB2 PRO 43 1HB PRO 43 8.319 21.040 -4.169 278 HB3 PRO 43 2HB PRO 43 7.740 20.086 -2.798 279 HG2 PRO 43 1HG PRO 43 6.768 22.730 -3.811 280 HG3 PRO 43 2HG PRO 43 5.830 21.329 -3.263 281 HD2 PRO 43 1HD PRO 43 6.266 23.493 -1.695 282 HD3 PRO 43 2HD PRO 43 6.112 21.852 -1.036 283 H SER 44 H SER 44 11.408 22.250 -1.899 284 HA SER 44 HA SER 44 11.531 24.274 -4.030 285 HB2 SER 44 1HB SER 44 12.191 24.766 -1.551 286 HB3 SER 44 2HB SER 44 13.676 23.909 -1.961 287 HG SER 44 HG SER 44 12.661 26.312 -3.027 288 H SER 45 H SER 45 11.543 21.681 -4.894 289 HA SER 45 HA SER 45 14.207 21.489 -6.049 290 HB2 SER 45 1HB SER 45 12.923 19.272 -4.447 291 HB3 SER 45 2HB SER 45 14.224 18.987 -5.603 292 HG SER 45 HG SER 45 14.617 20.993 -3.713 293 H GLY 46 H GLY 46 13.763 21.591 -8.151 294 HA2 GLY 46 1HA GLY 46 13.094 20.318 -10.101 295 HA3 GLY 46 2HA GLY 46 11.678 19.789 -9.204 Start of MODEL 10 1 H1 GLY 1 H GLY 1 21.627 -11.980 1.478 2 HA2 GLY 1 1HA GLY 1 22.105 -13.230 -1.035 3 HA3 GLY 1 2HA GLY 1 20.384 -12.976 -0.785 4 H SER 2 H SER 2 23.445 -11.178 -0.456 5 HA SER 2 HA SER 2 22.500 -8.614 -0.519 6 HB2 SER 2 1HB SER 2 24.929 -9.455 -0.351 7 HB3 SER 2 2HB SER 2 24.936 -9.392 -2.113 8 HG SER 2 HG SER 2 24.267 -7.151 -1.868 9 H SER 3 H SER 3 23.226 -10.664 -3.328 10 HA SER 3 HA SER 3 22.306 -8.680 -5.197 11 HB2 SER 3 1HB SER 3 24.066 -10.629 -5.507 12 HB3 SER 3 2HB SER 3 22.635 -11.553 -5.963 13 HG SER 3 HG SER 3 23.013 -9.027 -7.104 14 H GLY 4 H GLY 4 20.575 -9.151 -6.781 15 HA2 GLY 4 1HA GLY 4 18.107 -9.508 -5.587 16 HA3 GLY 4 2HA GLY 4 18.404 -9.683 -7.310 17 H SER 5 H SER 5 16.463 -11.204 -6.408 18 HA SER 5 HA SER 5 17.669 -13.884 -6.200 19 HB2 SER 5 1HB SER 5 16.630 -13.296 -4.062 20 HB3 SER 5 2HB SER 5 15.115 -12.923 -4.885 21 HG SER 5 HG SER 5 14.654 -14.955 -4.726 22 H SER 6 H SER 6 16.371 -15.620 -7.107 23 HA SER 6 HA SER 6 15.030 -14.740 -9.540 24 HB2 SER 6 1HB SER 6 15.356 -16.950 -10.363 25 HB3 SER 6 2HB SER 6 16.839 -16.534 -9.504 26 HG SER 6 HG SER 6 15.721 -18.673 -9.093 27 H GLY 7 H GLY 7 12.897 -14.863 -9.881 28 HA2 GLY 7 1HA GLY 7 10.862 -16.263 -9.575 29 HA3 GLY 7 2HA GLY 7 11.279 -16.301 -7.868 30 H THR 8 H THR 8 11.003 -13.740 -10.336 31 HA THR 8 HA THR 8 10.067 -11.794 -8.526 32 HB THR 8 HB THR 8 9.361 -10.535 -10.576 33 HG1 THR 8 HG1 THR 8 10.424 -12.808 -11.933 34 HG21 THR 8 3HG2 THR 8 11.867 -11.005 -9.606 35 HG22 THR 8 1HG2 THR 8 11.480 -9.832 -10.864 36 HG23 THR 8 2HG2 THR 8 12.055 -11.440 -11.305 37 H GLY 9 H GLY 9 8.347 -12.672 -7.339 38 HA2 GLY 9 1HA GLY 9 5.799 -12.689 -8.811 39 HA3 GLY 9 2HA GLY 9 6.186 -14.029 -7.742 40 H GLU 10 H GLU 10 5.340 -10.644 -7.922 41 HA GLU 10 HA GLU 10 5.121 -10.483 -5.009 42 HB2 GLU 10 1HB GLU 10 4.912 -8.398 -7.182 43 HB3 GLU 10 2HB GLU 10 4.576 -8.061 -5.490 44 HG2 GLU 10 1HG GLU 10 7.189 -9.248 -6.334 45 HG3 GLU 10 2HG GLU 10 6.902 -7.511 -6.424 46 H LYS 11 H LYS 11 3.194 -9.988 -3.953 47 HA LYS 11 HA LYS 11 0.846 -11.102 -5.112 48 HB2 LYS 11 1HB LYS 11 1.559 -9.836 -2.513 49 HB3 LYS 11 2HB LYS 11 -0.146 -9.919 -2.937 50 HG2 LYS 11 1HG LYS 11 0.226 -11.847 -1.693 51 HG3 LYS 11 2HG LYS 11 0.274 -12.406 -3.366 52 HD2 LYS 11 1HD LYS 11 2.715 -12.341 -3.324 53 HD3 LYS 11 2HD LYS 11 2.678 -11.753 -1.660 54 HE2 LYS 11 1HE LYS 11 1.228 -13.926 -1.293 55 HE3 LYS 11 2HE LYS 11 2.081 -14.464 -2.739 56 HZ1 LYS 11 3HZ LYS 11 4.121 -14.353 -1.671 57 HZ2 LYS 11 1HZ LYS 11 3.105 -14.968 -0.466 58 HZ3 LYS 11 2HZ LYS 11 3.554 -13.337 -0.443 59 HA PRO 12 HA PRO 12 -0.886 -7.571 -7.088 60 HB2 PRO 12 1HB PRO 12 -3.503 -8.293 -7.054 61 HB3 PRO 12 2HB PRO 12 -2.314 -9.039 -8.129 62 HG2 PRO 12 1HG PRO 12 -3.400 -10.035 -5.523 63 HG3 PRO 12 2HG PRO 12 -3.106 -10.928 -7.026 64 HD2 PRO 12 1HD PRO 12 -1.402 -11.013 -4.924 65 HD3 PRO 12 2HD PRO 12 -0.850 -11.140 -6.607 66 H TYR 13 H TYR 13 -2.548 -8.711 -4.155 67 HA TYR 13 HA TYR 13 -3.421 -5.975 -3.594 68 HB2 TYR 13 1HB TYR 13 -4.618 -7.227 -1.647 69 HB3 TYR 13 2HB TYR 13 -5.238 -7.391 -3.286 70 HD1 TYR 13 HD1 TYR 13 -2.379 -9.070 -1.570 71 HD2 TYR 13 HD2 TYR 13 -6.165 -9.507 -3.461 72 HE1 TYR 13 HE1 TYR 13 -2.177 -11.515 -1.396 73 HE2 TYR 13 HE2 TYR 13 -5.974 -11.953 -3.291 74 HH TYR 13 HH TYR 13 -4.296 -13.540 -1.388 75 H LYS 14 H LYS 14 -0.710 -6.287 -3.370 76 HA LYS 14 HA LYS 14 -0.334 -5.942 -0.484 77 HB2 LYS 14 1HB LYS 14 1.058 -7.882 -2.257 78 HB3 LYS 14 2HB LYS 14 2.035 -7.046 -1.057 79 HG2 LYS 14 1HG LYS 14 -0.505 -8.295 -0.162 80 HG3 LYS 14 2HG LYS 14 0.860 -9.349 -0.539 81 HD2 LYS 14 1HD LYS 14 2.151 -7.581 0.961 82 HD3 LYS 14 2HD LYS 14 0.538 -7.351 1.638 83 HE2 LYS 14 1HE LYS 14 1.702 -9.014 2.930 84 HE3 LYS 14 2HE LYS 14 0.405 -9.794 2.027 85 HZ1 LYS 14 3HZ LYS 14 1.862 -11.084 0.990 86 HZ2 LYS 14 1HZ LYS 14 3.053 -10.514 2.048 87 HZ3 LYS 14 2HZ LYS 14 2.832 -9.772 0.544 88 H CYS 15 H CYS 15 1.861 -4.920 -0.032 89 HA CYS 15 HA CYS 15 2.142 -2.637 -1.796 90 HB2 CYS 15 1HB CYS 15 2.071 -2.320 0.648 91 HB3 CYS 15 2HB CYS 15 3.540 -3.277 0.810 92 H MET 16 H MET 16 3.579 -2.525 -3.379 93 HA MET 16 HA MET 16 5.551 -4.561 -3.757 94 HB2 MET 16 1HB MET 16 4.445 -3.569 -5.677 95 HB3 MET 16 2HB MET 16 5.045 -1.976 -5.238 96 HG2 MET 16 1HG MET 16 6.998 -4.166 -5.730 97 HG3 MET 16 2HG MET 16 6.207 -3.394 -7.102 98 HE1 MET 16 3HE MET 16 7.586 -0.346 -7.779 99 HE2 MET 16 1HE MET 16 6.037 -1.152 -7.528 100 HE3 MET 16 2HE MET 16 6.545 0.139 -6.440 101 H GLU 17 H GLU 17 5.538 -1.304 -2.498 102 HA GLU 17 HA GLU 17 8.270 -0.724 -2.650 103 HB2 GLU 17 1HB GLU 17 6.212 0.139 -0.613 104 HB3 GLU 17 2HB GLU 17 7.824 0.828 -0.740 105 HG2 GLU 17 1HG GLU 17 7.295 1.507 -3.064 106 HG3 GLU 17 2HG GLU 17 5.647 0.934 -2.812 107 H CYS 18 H CYS 18 6.438 -2.011 0.128 108 HA CYS 18 HA CYS 18 8.898 -3.363 1.007 109 HB2 CYS 18 1HB CYS 18 8.378 -2.842 3.328 110 HB3 CYS 18 2HB CYS 18 8.512 -1.355 2.395 111 H GLY 19 H GLY 19 5.362 -3.205 1.344 112 HA2 GLY 19 1HA GLY 19 4.127 -5.257 0.784 113 HA3 GLY 19 2HA GLY 19 5.377 -6.145 1.642 114 H LYS 20 H LYS 20 2.299 -4.980 1.862 115 HA LYS 20 HA LYS 20 2.122 -5.620 4.651 116 HB2 LYS 20 1HB LYS 20 2.929 -3.228 4.634 117 HB3 LYS 20 2HB LYS 20 1.412 -2.793 3.858 118 HG2 LYS 20 1HG LYS 20 0.173 -3.180 5.751 119 HG3 LYS 20 2HG LYS 20 1.348 -4.315 6.419 120 HD2 LYS 20 1HD LYS 20 2.878 -2.481 6.890 121 HD3 LYS 20 2HD LYS 20 1.747 -1.333 6.168 122 HE2 LYS 20 1HE LYS 20 1.261 -1.098 8.404 123 HE3 LYS 20 2HE LYS 20 0.081 -2.317 7.922 124 HZ1 LYS 20 3HZ LYS 20 0.907 -3.521 9.582 125 HZ2 LYS 20 1HZ LYS 20 2.263 -2.525 9.764 126 HZ3 LYS 20 2HZ LYS 20 2.276 -3.768 8.618 127 H ALA 21 H ALA 21 0.198 -6.521 5.019 128 HA ALA 21 HA ALA 21 -1.810 -6.455 2.935 129 HB1 ALA 21 3HB ALA 21 -2.985 -8.051 4.588 130 HB2 ALA 21 1HB ALA 21 -1.520 -8.600 3.772 131 HB3 ALA 21 2HB ALA 21 -1.444 -8.045 5.445 132 H PHE 22 H PHE 22 -3.674 -5.352 2.964 133 HA PHE 22 HA PHE 22 -4.491 -4.053 5.474 134 HB2 PHE 22 1HB PHE 22 -4.610 -2.759 2.743 135 HB3 PHE 22 2HB PHE 22 -5.051 -2.021 4.279 136 HD1 PHE 22 HD2 PHE 22 -3.339 -1.334 5.867 137 HD2 PHE 22 HD1 PHE 22 -2.316 -2.992 2.083 138 HE1 PHE 22 HE2 PHE 22 -1.037 -0.504 6.129 139 HE2 PHE 22 HE1 PHE 22 -0.013 -2.166 2.339 140 HZ PHE 22 HZ PHE 22 0.629 -0.919 4.364 141 H GLY 23 H GLY 23 -6.526 -4.473 6.024 142 HA2 GLY 23 1HA GLY 23 -8.203 -6.102 4.427 143 HA3 GLY 23 2HA GLY 23 -8.670 -5.291 5.914 144 H ASP 24 H ASP 24 -8.604 -2.702 5.429 145 HA ASP 24 HA ASP 24 -10.542 -2.370 3.247 146 HB2 ASP 24 1HB ASP 24 -10.959 -1.730 5.772 147 HB3 ASP 24 2HB ASP 24 -10.076 -0.272 5.327 148 H ASN 25 H ASN 25 -10.467 -0.395 1.979 149 HA ASN 25 HA ASN 25 -7.876 0.119 0.963 150 HB2 ASN 25 1HB ASN 25 -9.930 0.258 -0.408 151 HB3 ASN 25 2HB ASN 25 -10.431 1.676 0.507 152 HD21 ASN 25 1HD2 ASN 25 -8.106 0.409 -1.767 153 HD22 ASN 25 2HD2 ASN 25 -7.566 1.938 -2.365 154 H SER 26 H SER 26 -10.075 2.005 3.004 155 HA SER 26 HA SER 26 -8.818 4.414 3.155 156 HB2 SER 26 1HB SER 26 -10.895 3.879 4.367 157 HB3 SER 26 2HB SER 26 -9.977 2.889 5.501 158 HG SER 26 HG SER 26 -9.925 4.732 6.550 159 H SER 27 H SER 27 -8.129 1.702 5.371 160 HA SER 27 HA SER 27 -5.913 2.870 6.611 161 HB2 SER 27 1HB SER 27 -6.462 -0.076 6.176 162 HB3 SER 27 2HB SER 27 -5.354 0.603 7.368 163 HG SER 27 HG SER 27 -7.299 0.181 8.377 164 H CYS 28 H CYS 28 -6.060 0.618 3.865 165 HA CYS 28 HA CYS 28 -3.414 0.176 3.379 166 HB2 CYS 28 1HB CYS 28 -5.218 -0.829 2.054 167 HB3 CYS 28 2HB CYS 28 -5.544 0.729 1.304 168 HG CYS 28 HG CYS 28 -4.266 -0.645 -0.654 169 H THR 29 H THR 29 -5.235 2.754 1.717 170 HA THR 29 HA THR 29 -3.217 4.089 0.496 171 HB THR 29 HB THR 29 -5.499 5.438 1.953 172 HG1 THR 29 HG1 THR 29 -5.307 4.362 -0.681 173 HG21 THR 29 3HG2 THR 29 -5.045 6.892 -0.292 174 HG22 THR 29 1HG2 THR 29 -3.405 6.390 0.115 175 HG23 THR 29 2HG2 THR 29 -4.373 7.279 1.291 176 H GLN 30 H GLN 30 -4.283 4.676 3.845 177 HA GLN 30 HA GLN 30 -2.643 6.694 4.613 178 HB2 GLN 30 1HB GLN 30 -4.323 5.201 5.972 179 HB3 GLN 30 2HB GLN 30 -2.867 4.330 6.434 180 HG2 GLN 30 1HG GLN 30 -1.919 6.522 7.200 181 HG3 GLN 30 2HG GLN 30 -3.517 7.219 6.940 182 HE21 GLN 30 1HE2 GLN 30 -2.144 7.125 9.410 183 HE22 GLN 30 2HE2 GLN 30 -3.069 6.148 10.493 184 H HIS 31 H HIS 31 -1.755 3.253 4.536 185 HA HIS 31 HA HIS 31 0.723 3.202 5.576 186 HB2 HIS 31 1HB HIS 31 -0.318 1.239 4.559 187 HB3 HIS 31 2HB HIS 31 -0.087 1.927 2.954 188 HD1 HIS 31 HD1 HIS 31 2.106 0.941 5.909 189 HD2 HIS 31 HD2 HIS 31 2.156 1.022 1.756 190 HE1 HIS 31 HE1 HIS 31 4.290 -0.113 5.242 191 H GLN 32 H GLN 32 -0.089 4.445 2.362 192 HA GLN 32 HA GLN 32 2.395 4.906 1.306 193 HB2 GLN 32 1HB GLN 32 -0.130 6.539 1.133 194 HB3 GLN 32 2HB GLN 32 1.315 6.957 0.222 195 HG2 GLN 32 1HG GLN 32 1.255 4.742 -0.845 196 HG3 GLN 32 2HG GLN 32 -0.235 4.385 0.027 197 HE21 GLN 32 1HE2 GLN 32 -2.133 5.161 -0.720 198 HE22 GLN 32 2HE2 GLN 32 -2.300 6.098 -2.162 199 H ARG 33 H ARG 33 0.598 7.047 3.503 200 HA ARG 33 HA ARG 33 2.330 9.179 3.629 201 HB2 ARG 33 1HB ARG 33 1.180 9.851 5.500 202 HB3 ARG 33 2HB ARG 33 0.047 8.673 4.850 203 HG2 ARG 33 1HG ARG 33 0.875 6.994 6.400 204 HG3 ARG 33 2HG ARG 33 2.054 8.145 7.031 205 HD2 ARG 33 1HD ARG 33 -0.939 8.506 7.117 206 HD3 ARG 33 2HD ARG 33 0.047 7.928 8.459 207 HE ARG 33 HE ARG 33 0.807 10.080 8.805 208 HH11 ARG 33 1HH1 ARG 33 -1.008 9.906 5.839 209 HH12 ARG 33 2HH1 ARG 33 -1.100 11.625 5.642 210 HH21 ARG 33 1HH2 ARG 33 0.692 12.345 8.557 211 HH22 ARG 33 2HH2 ARG 33 -0.133 13.011 7.188 212 H LEU 34 H LEU 34 2.464 6.167 5.500 213 HA LEU 34 HA LEU 34 4.628 6.794 7.136 214 HB2 LEU 34 1HB LEU 34 3.741 4.154 5.992 215 HB3 LEU 34 2HB LEU 34 4.999 4.314 7.217 216 HG LEU 34 HG LEU 34 2.172 5.271 7.625 217 HD11 LEU 34 1HD1 LEU 34 3.344 2.670 8.584 218 HD12 LEU 34 2HD1 LEU 34 2.304 2.813 7.167 219 HD13 LEU 34 3HD1 LEU 34 1.684 3.240 8.762 220 HD21 LEU 34 3HD2 LEU 34 3.995 4.457 9.818 221 HD22 LEU 34 1HD2 LEU 34 2.763 5.719 9.774 222 HD23 LEU 34 2HD2 LEU 34 4.328 5.987 9.005 223 H HIS 35 H HIS 35 4.576 5.351 3.899 224 HA HIS 35 HA HIS 35 7.303 4.830 3.636 225 HB2 HIS 35 1HB HIS 35 5.049 5.276 1.746 226 HB3 HIS 35 2HB HIS 35 6.681 5.373 1.092 227 HD1 HIS 35 HD1 HIS 35 7.767 3.054 3.048 228 HD2 HIS 35 HD2 HIS 35 4.511 2.854 0.476 229 HE1 HIS 35 HE1 HIS 35 7.436 0.607 2.571 230 H THR 36 H THR 36 5.464 7.773 2.944 231 HA THR 36 HA THR 36 7.874 9.188 2.142 232 HB THR 36 HB THR 36 5.086 10.311 2.455 233 HG1 THR 36 HG1 THR 36 4.860 8.803 0.885 234 HG21 THR 36 3HG2 THR 36 7.614 11.279 1.150 235 HG22 THR 36 1HG2 THR 36 6.593 12.107 2.325 236 HG23 THR 36 2HG2 THR 36 6.033 11.891 0.666 237 H GLY 37 H GLY 37 9.019 9.121 4.139 238 HA2 GLY 37 1HA GLY 37 7.857 10.798 6.272 239 HA3 GLY 37 2HA GLY 37 9.086 9.568 6.526 240 H GLN 38 H GLN 38 11.215 9.970 5.491 241 HA GLN 38 HA GLN 38 11.974 12.736 5.944 242 HB2 GLN 38 1HB GLN 38 13.485 10.165 5.609 243 HB3 GLN 38 2HB GLN 38 14.317 11.709 5.482 244 HG2 GLN 38 1HG GLN 38 12.603 11.136 7.856 245 HG3 GLN 38 2HG GLN 38 14.227 10.458 7.753 246 HE21 GLN 38 1HE2 GLN 38 15.727 11.627 8.691 247 HE22 GLN 38 2HE2 GLN 38 15.714 13.343 8.889 248 H ARG 39 H ARG 39 11.410 13.961 4.213 249 HA ARG 39 HA ARG 39 12.732 13.307 1.672 250 HB2 ARG 39 1HB ARG 39 10.281 12.745 1.600 251 HB3 ARG 39 2HB ARG 39 9.944 14.451 1.860 252 HG2 ARG 39 1HG ARG 39 9.762 14.240 -0.429 253 HG3 ARG 39 2HG ARG 39 11.418 14.819 -0.229 254 HD2 ARG 39 1HD ARG 39 12.186 12.452 -0.330 255 HD3 ARG 39 2HD ARG 39 10.528 11.977 -0.698 256 HE ARG 39 HE ARG 39 11.208 13.904 -2.554 257 HH11 ARG 39 1HH1 ARG 39 12.344 10.749 -1.620 258 HH12 ARG 39 2HH1 ARG 39 12.917 10.343 -3.204 259 HH21 ARG 39 1HH2 ARG 39 11.958 13.381 -4.643 260 HH22 ARG 39 2HH2 ARG 39 12.698 11.841 -4.923 261 HA PRO 40 HA PRO 40 13.789 17.586 3.060 262 HB2 PRO 40 1HB PRO 40 16.404 17.405 2.351 263 HB3 PRO 40 2HB PRO 40 15.792 16.853 3.915 264 HG2 PRO 40 1HG PRO 40 16.410 15.263 1.455 265 HG3 PRO 40 2HG PRO 40 16.777 14.890 3.150 266 HD2 PRO 40 1HD PRO 40 14.687 13.780 1.833 267 HD3 PRO 40 2HD PRO 40 14.644 14.125 3.574 268 H SER 41 H SER 41 14.595 15.798 0.123 269 HA SER 41 HA SER 41 14.124 18.256 -1.420 270 HB2 SER 41 1HB SER 41 15.914 17.483 -3.015 271 HB3 SER 41 2HB SER 41 16.512 17.982 -1.433 272 HG SER 41 HG SER 41 17.445 16.010 -2.103 273 H GLY 42 H GLY 42 13.382 17.910 -3.599 274 HA2 GLY 42 1HA GLY 42 12.823 15.414 -4.731 275 HA3 GLY 42 2HA GLY 42 11.417 15.895 -3.793 276 HA PRO 43 HA PRO 43 11.806 18.079 -8.075 277 HB2 PRO 43 1HB PRO 43 10.590 16.285 -9.711 278 HB3 PRO 43 2HB PRO 43 12.338 16.315 -9.449 279 HG2 PRO 43 1HG PRO 43 10.266 14.550 -8.203 280 HG3 PRO 43 2HG PRO 43 11.872 14.125 -8.823 281 HD2 PRO 43 1HD PRO 43 11.374 14.468 -6.184 282 HD3 PRO 43 2HD PRO 43 12.941 14.862 -6.919 283 H SER 44 H SER 44 9.194 15.798 -7.220 284 HA SER 44 HA SER 44 7.282 18.020 -7.539 285 HB2 SER 44 1HB SER 44 6.911 15.074 -8.115 286 HB3 SER 44 2HB SER 44 5.586 16.237 -8.073 287 HG SER 44 HG SER 44 6.235 17.068 -9.920 288 H SER 45 H SER 45 7.990 15.031 -5.772 289 HA SER 45 HA SER 45 5.931 15.202 -3.886 290 HB2 SER 45 1HB SER 45 7.656 13.292 -4.383 291 HB3 SER 45 2HB SER 45 8.616 14.093 -3.139 292 HG SER 45 HG SER 45 5.935 13.609 -2.566 293 H GLY 46 H GLY 46 5.590 17.108 -2.873 294 HA2 GLY 46 1HA GLY 46 5.904 18.817 -1.374 295 HA3 GLY 46 2HA GLY 46 7.189 17.838 -0.682 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -25.520 -13.209 -5.250 2 HA2 GLY 1 1HA GLY 1 -26.538 -13.234 -3.028 3 HA3 GLY 1 2HA GLY 1 -25.229 -14.289 -2.516 4 H SER 2 H SER 2 -26.128 -11.010 -3.333 5 HA SER 2 HA SER 2 -24.984 -9.020 -3.139 6 HB2 SER 2 1HB SER 2 -25.844 -9.699 -0.820 7 HB3 SER 2 2HB SER 2 -24.176 -10.139 -0.456 8 HG SER 2 HG SER 2 -25.335 -7.655 -0.699 9 H SER 3 H SER 3 -23.419 -10.814 -4.563 10 HA SER 3 HA SER 3 -20.727 -10.617 -3.439 11 HB2 SER 3 1HB SER 3 -21.774 -12.050 -5.890 12 HB3 SER 3 2HB SER 3 -20.084 -12.045 -5.388 13 HG SER 3 HG SER 3 -20.867 -13.833 -4.455 14 H GLY 4 H GLY 4 -19.371 -9.052 -4.006 15 HA2 GLY 4 1HA GLY 4 -20.008 -7.481 -6.424 16 HA3 GLY 4 2HA GLY 4 -19.211 -6.833 -4.998 17 H SER 5 H SER 5 -17.308 -8.800 -4.535 18 HA SER 5 HA SER 5 -15.410 -8.151 -6.619 19 HB2 SER 5 1HB SER 5 -13.753 -9.201 -5.131 20 HB3 SER 5 2HB SER 5 -14.732 -8.020 -4.260 21 HG SER 5 HG SER 5 -15.638 -9.579 -3.125 22 H SER 6 H SER 6 -16.682 -9.438 -8.219 23 HA SER 6 HA SER 6 -16.656 -12.295 -8.022 24 HB2 SER 6 1HB SER 6 -18.362 -11.023 -9.326 25 HB3 SER 6 2HB SER 6 -17.101 -10.580 -10.477 26 HG SER 6 HG SER 6 -17.403 -13.285 -9.881 27 H GLY 7 H GLY 7 -15.355 -13.767 -9.100 28 HA2 GLY 7 1HA GLY 7 -13.628 -14.355 -10.640 29 HA3 GLY 7 2HA GLY 7 -13.050 -12.697 -10.575 30 H THR 8 H THR 8 -11.021 -14.123 -10.335 31 HA THR 8 HA THR 8 -10.587 -14.781 -7.500 32 HB THR 8 HB THR 8 -8.568 -16.029 -8.326 33 HG1 THR 8 HG1 THR 8 -8.852 -14.772 -10.486 34 HG21 THR 8 3HG2 THR 8 -10.174 -17.736 -9.658 35 HG22 THR 8 1HG2 THR 8 -11.387 -16.733 -8.864 36 HG23 THR 8 2HG2 THR 8 -10.171 -17.575 -7.903 37 H GLY 9 H GLY 9 -8.755 -14.013 -6.418 38 HA2 GLY 9 1HA GLY 9 -7.065 -12.070 -7.812 39 HA3 GLY 9 2HA GLY 9 -8.000 -11.496 -6.439 40 H GLU 10 H GLU 10 -7.700 -12.818 -4.391 41 HA GLU 10 HA GLU 10 -6.368 -13.723 -2.771 42 HB2 GLU 10 1HB GLU 10 -5.739 -15.311 -4.714 43 HB3 GLU 10 2HB GLU 10 -4.270 -14.351 -4.830 44 HG2 GLU 10 1HG GLU 10 -4.026 -14.836 -2.309 45 HG3 GLU 10 2HG GLU 10 -5.190 -16.125 -2.609 46 H LYS 11 H LYS 11 -6.325 -11.010 -3.228 47 HA LYS 11 HA LYS 11 -5.178 -9.127 -2.668 48 HB2 LYS 11 1HB LYS 11 -3.594 -11.290 -1.380 49 HB3 LYS 11 2HB LYS 11 -2.844 -9.704 -1.500 50 HG2 LYS 11 1HG LYS 11 -3.851 -9.485 0.521 51 HG3 LYS 11 2HG LYS 11 -5.170 -8.929 -0.511 52 HD2 LYS 11 1HD LYS 11 -4.990 -11.837 0.081 53 HD3 LYS 11 2HD LYS 11 -5.539 -10.761 1.368 54 HE2 LYS 11 1HE LYS 11 -6.724 -10.696 -1.393 55 HE3 LYS 11 2HE LYS 11 -7.322 -11.784 -0.141 56 HZ1 LYS 11 3HZ LYS 11 -7.059 -8.926 0.472 57 HZ2 LYS 11 1HZ LYS 11 -8.149 -10.063 1.090 58 HZ3 LYS 11 2HZ LYS 11 -8.371 -9.439 -0.466 59 HA PRO 12 HA PRO 12 -2.419 -9.938 -6.417 60 HB2 PRO 12 1HB PRO 12 -3.932 -8.592 -8.224 61 HB3 PRO 12 2HB PRO 12 -4.146 -10.313 -7.886 62 HG2 PRO 12 1HG PRO 12 -5.703 -7.973 -6.856 63 HG3 PRO 12 2HG PRO 12 -6.293 -9.542 -7.435 64 HD2 PRO 12 1HD PRO 12 -6.055 -8.956 -4.802 65 HD3 PRO 12 2HD PRO 12 -5.822 -10.596 -5.439 66 H TYR 13 H TYR 13 -4.199 -7.125 -5.256 67 HA TYR 13 HA TYR 13 -2.053 -5.366 -6.214 68 HB2 TYR 13 1HB TYR 13 -3.596 -3.525 -5.867 69 HB3 TYR 13 2HB TYR 13 -4.378 -4.771 -6.833 70 HD1 TYR 13 HD2 TYR 13 -6.002 -6.344 -5.685 71 HD2 TYR 13 HD1 TYR 13 -4.542 -2.799 -3.838 72 HE1 TYR 13 HE2 TYR 13 -7.876 -6.407 -4.094 73 HE2 TYR 13 HE1 TYR 13 -6.412 -2.854 -2.241 74 HH TYR 13 HH TYR 13 -9.129 -4.774 -2.658 75 H LYS 14 H LYS 14 -0.486 -5.709 -4.663 76 HA LYS 14 HA LYS 14 -1.131 -4.656 -1.993 77 HB2 LYS 14 1HB LYS 14 -0.968 -7.068 -1.779 78 HB3 LYS 14 2HB LYS 14 0.576 -7.070 -2.621 79 HG2 LYS 14 1HG LYS 14 1.715 -6.197 -0.815 80 HG3 LYS 14 2HG LYS 14 0.259 -5.497 -0.104 81 HD2 LYS 14 1HD LYS 14 0.744 -7.329 1.268 82 HD3 LYS 14 2HD LYS 14 -0.527 -7.919 0.195 83 HE2 LYS 14 1HE LYS 14 1.120 -9.622 0.302 84 HE3 LYS 14 2HE LYS 14 1.295 -8.847 -1.272 85 HZ1 LYS 14 3HZ LYS 14 3.417 -9.281 -0.060 86 HZ2 LYS 14 1HZ LYS 14 2.945 -8.128 1.084 87 HZ3 LYS 14 2HZ LYS 14 3.191 -7.671 -0.526 88 H CYS 15 H CYS 15 0.497 -3.478 -0.973 89 HA CYS 15 HA CYS 15 2.121 -1.887 -2.540 90 HB2 CYS 15 1HB CYS 15 1.485 -1.363 -0.211 91 HB3 CYS 15 2HB CYS 15 2.569 -2.629 0.359 92 H MET 16 H MET 16 4.194 -1.957 -3.263 93 HA MET 16 HA MET 16 5.540 -4.548 -3.080 94 HB2 MET 16 1HB MET 16 6.000 -2.189 -4.913 95 HB3 MET 16 2HB MET 16 6.933 -3.679 -4.954 96 HG2 MET 16 1HG MET 16 3.969 -3.808 -5.211 97 HG3 MET 16 2HG MET 16 4.939 -3.303 -6.592 98 HE1 MET 16 3HE MET 16 7.266 -5.289 -7.356 99 HE2 MET 16 1HE MET 16 6.086 -6.309 -8.180 100 HE3 MET 16 2HE MET 16 5.853 -4.562 -8.123 101 H GLU 17 H GLU 17 5.887 -1.212 -2.160 102 HA GLU 17 HA GLU 17 8.605 -1.009 -1.700 103 HB2 GLU 17 1HB GLU 17 6.210 0.216 -0.381 104 HB3 GLU 17 2HB GLU 17 7.811 0.508 0.282 105 HG2 GLU 17 1HG GLU 17 7.484 2.312 -1.122 106 HG3 GLU 17 2HG GLU 17 8.444 1.210 -2.108 107 H CYS 18 H CYS 18 6.169 -1.833 0.778 108 HA CYS 18 HA CYS 18 8.286 -3.195 2.293 109 HB2 CYS 18 1HB CYS 18 6.722 -3.033 4.216 110 HB3 CYS 18 2HB CYS 18 7.154 -1.461 3.550 111 H GLY 19 H GLY 19 4.929 -3.598 1.199 112 HA2 GLY 19 1HA GLY 19 3.974 -5.568 0.375 113 HA3 GLY 19 2HA GLY 19 5.384 -6.458 0.930 114 H LYS 20 H LYS 20 2.864 -4.449 2.462 115 HA LYS 20 HA LYS 20 2.584 -6.547 4.508 116 HB2 LYS 20 1HB LYS 20 2.353 -3.574 4.581 117 HB3 LYS 20 2HB LYS 20 1.348 -4.510 5.680 118 HG2 LYS 20 1HG LYS 20 3.155 -5.313 6.864 119 HG3 LYS 20 2HG LYS 20 4.278 -5.055 5.528 120 HD2 LYS 20 1HD LYS 20 4.480 -2.794 5.962 121 HD3 LYS 20 2HD LYS 20 2.929 -2.712 6.802 122 HE2 LYS 20 1HE LYS 20 4.675 -2.490 8.425 123 HE3 LYS 20 2HE LYS 20 3.925 -4.071 8.634 124 HZ1 LYS 20 3HZ LYS 20 6.586 -3.406 7.580 125 HZ2 LYS 20 1HZ LYS 20 5.827 -4.828 7.066 126 HZ3 LYS 20 2HZ LYS 20 6.144 -4.585 8.709 127 H ALA 21 H ALA 21 0.540 -7.261 5.122 128 HA ALA 21 HA ALA 21 -1.472 -7.073 3.053 129 HB1 ALA 21 3HB ALA 21 -2.679 -8.622 4.817 130 HB2 ALA 21 1HB ALA 21 -1.389 -9.234 3.782 131 HB3 ALA 21 2HB ALA 21 -1.040 -8.777 5.450 132 H PHE 22 H PHE 22 -3.563 -6.288 3.297 133 HA PHE 22 HA PHE 22 -4.145 -4.781 5.747 134 HB2 PHE 22 1HB PHE 22 -4.255 -3.737 2.919 135 HB3 PHE 22 2HB PHE 22 -5.125 -2.971 4.245 136 HD1 PHE 22 HD1 PHE 22 -1.780 -3.819 2.951 137 HD2 PHE 22 HD2 PHE 22 -4.010 -1.598 5.816 138 HE1 PHE 22 HE1 PHE 22 0.244 -2.547 3.535 139 HE2 PHE 22 HE2 PHE 22 -1.990 -0.322 6.405 140 HZ PHE 22 HZ PHE 22 0.140 -0.795 5.263 141 H GLY 23 H GLY 23 -6.527 -3.906 5.555 142 HA2 GLY 23 1HA GLY 23 -8.190 -6.067 4.417 143 HA3 GLY 23 2HA GLY 23 -8.472 -5.431 6.031 144 H ASP 24 H ASP 24 -8.092 -2.693 5.479 145 HA ASP 24 HA ASP 24 -10.394 -2.163 3.715 146 HB2 ASP 24 1HB ASP 24 -10.790 -1.783 6.170 147 HB3 ASP 24 2HB ASP 24 -9.563 -0.521 6.112 148 H ASN 25 H ASN 25 -10.200 -0.627 2.173 149 HA ASN 25 HA ASN 25 -7.749 0.123 1.170 150 HB2 ASN 25 1HB ASN 25 -10.464 1.409 0.878 151 HB3 ASN 25 2HB ASN 25 -9.053 1.971 -0.015 152 HD21 ASN 25 1HD2 ASN 25 -8.177 0.683 -1.625 153 HD22 ASN 25 2HD2 ASN 25 -9.031 -0.660 -2.297 154 H SER 26 H SER 26 -9.936 2.116 3.155 155 HA SER 26 HA SER 26 -8.667 4.469 3.345 156 HB2 SER 26 1HB SER 26 -10.686 3.552 4.704 157 HB3 SER 26 2HB SER 26 -9.473 3.129 5.913 158 HG SER 26 HG SER 26 -8.815 5.382 5.800 159 H SER 27 H SER 27 -7.668 1.521 5.032 160 HA SER 27 HA SER 27 -5.460 2.763 6.358 161 HB2 SER 27 1HB SER 27 -5.953 -0.181 5.852 162 HB3 SER 27 2HB SER 27 -4.847 0.506 7.041 163 HG SER 27 HG SER 27 -6.604 0.180 8.229 164 H CYS 28 H CYS 28 -5.749 0.579 3.565 165 HA CYS 28 HA CYS 28 -3.078 0.301 2.927 166 HB2 CYS 28 1HB CYS 28 -5.071 -0.839 1.841 167 HB3 CYS 28 2HB CYS 28 -5.261 0.613 0.866 168 HG CYS 28 HG CYS 28 -3.138 0.293 -0.696 169 H THR 29 H THR 29 -5.297 2.913 2.061 170 HA THR 29 HA THR 29 -3.523 4.299 0.353 171 HB THR 29 HB THR 29 -5.012 6.254 0.710 172 HG1 THR 29 HG1 THR 29 -6.106 4.526 2.677 173 HG21 THR 29 3HG2 THR 29 -6.916 4.010 0.390 174 HG22 THR 29 1HG2 THR 29 -5.530 4.031 -0.700 175 HG23 THR 29 2HG2 THR 29 -6.629 5.409 -0.645 176 H GLN 30 H GLN 30 -4.637 5.408 3.553 177 HA GLN 30 HA GLN 30 -2.838 7.364 4.046 178 HB2 GLN 30 1HB GLN 30 -3.162 7.000 6.410 179 HB3 GLN 30 2HB GLN 30 -4.678 6.693 5.572 180 HG2 GLN 30 1HG GLN 30 -4.275 4.294 5.703 181 HG3 GLN 30 2HG GLN 30 -2.744 4.592 6.525 182 HE21 GLN 30 1HE2 GLN 30 -6.213 4.693 6.793 183 HE22 GLN 30 2HE2 GLN 30 -6.277 4.823 8.514 184 H HIS 31 H HIS 31 -2.295 3.903 4.606 185 HA HIS 31 HA HIS 31 0.066 3.769 5.863 186 HB2 HIS 31 1HB HIS 31 -0.673 1.689 5.208 187 HB3 HIS 31 2HB HIS 31 -1.031 2.214 3.566 188 HD1 HIS 31 HD1 HIS 31 2.125 1.791 5.665 189 HD2 HIS 31 HD2 HIS 31 0.714 1.156 1.809 190 HE1 HIS 31 HE1 HIS 31 4.038 0.743 4.413 191 H GLN 32 H GLN 32 -0.238 4.423 2.377 192 HA GLN 32 HA GLN 32 2.324 4.599 1.560 193 HB2 GLN 32 1HB GLN 32 0.113 5.224 0.338 194 HB3 GLN 32 2HB GLN 32 0.474 6.859 0.874 195 HG2 GLN 32 1HG GLN 32 2.441 6.962 -0.393 196 HG3 GLN 32 2HG GLN 32 2.471 5.217 -0.641 197 HE21 GLN 32 1HE2 GLN 32 2.793 6.550 -2.838 198 HE22 GLN 32 2HE2 GLN 32 1.361 6.617 -3.802 199 H ARG 33 H ARG 33 0.602 7.119 3.369 200 HA ARG 33 HA ARG 33 2.366 9.173 3.392 201 HB2 ARG 33 1HB ARG 33 0.670 8.047 5.604 202 HB3 ARG 33 2HB ARG 33 1.670 9.470 5.866 203 HG2 ARG 33 1HG ARG 33 -0.141 9.454 3.515 204 HG3 ARG 33 2HG ARG 33 -0.851 9.654 5.118 205 HD2 ARG 33 1HD ARG 33 -0.437 11.840 4.624 206 HD3 ARG 33 2HD ARG 33 1.107 11.417 5.362 207 HE ARG 33 HE ARG 33 2.121 11.589 3.297 208 HH11 ARG 33 1HH1 ARG 33 -1.340 11.754 2.953 209 HH12 ARG 33 2HH1 ARG 33 -1.282 12.268 1.300 210 HH21 ARG 33 1HH2 ARG 33 2.210 12.265 1.120 211 HH22 ARG 33 2HH2 ARG 33 0.738 12.557 0.258 212 H LEU 34 H LEU 34 2.564 6.285 5.450 213 HA LEU 34 HA LEU 34 4.828 6.997 6.914 214 HB2 LEU 34 1HB LEU 34 4.037 4.230 6.016 215 HB3 LEU 34 2HB LEU 34 5.101 4.628 7.363 216 HG LEU 34 HG LEU 34 2.203 5.438 7.273 217 HD11 LEU 34 1HD1 LEU 34 3.065 3.189 8.982 218 HD12 LEU 34 2HD1 LEU 34 2.915 2.859 7.256 219 HD13 LEU 34 3HD1 LEU 34 1.530 3.472 8.161 220 HD21 LEU 34 3HD2 LEU 34 2.723 6.552 9.119 221 HD22 LEU 34 1HD2 LEU 34 4.396 6.004 9.008 222 HD23 LEU 34 2HD2 LEU 34 3.207 5.036 9.881 223 H HIS 35 H HIS 35 4.547 5.378 3.781 224 HA HIS 35 HA HIS 35 7.298 4.829 3.450 225 HB2 HIS 35 1HB HIS 35 4.906 4.894 1.681 226 HB3 HIS 35 2HB HIS 35 6.485 4.958 0.905 227 HD1 HIS 35 HD1 HIS 35 7.767 3.006 3.162 228 HD2 HIS 35 HD2 HIS 35 4.455 2.288 0.758 229 HE1 HIS 35 HE1 HIS 35 7.541 0.503 3.058 230 H THR 36 H THR 36 5.327 7.644 2.792 231 HA THR 36 HA THR 36 7.630 9.005 1.582 232 HB THR 36 HB THR 36 5.549 9.112 0.288 233 HG1 THR 36 HG1 THR 36 5.710 11.280 -0.106 234 HG21 THR 36 3HG2 THR 36 3.591 10.241 1.098 235 HG22 THR 36 1HG2 THR 36 4.401 10.672 2.603 236 HG23 THR 36 2HG2 THR 36 4.017 8.985 2.259 237 H GLY 37 H GLY 37 7.690 8.519 4.361 238 HA2 GLY 37 1HA GLY 37 7.330 11.257 5.418 239 HA3 GLY 37 2HA GLY 37 7.123 9.813 6.398 240 H GLN 38 H GLN 38 9.265 12.215 5.418 241 HA GLN 38 HA GLN 38 11.751 11.003 5.437 242 HB2 GLN 38 1HB GLN 38 11.269 13.410 4.929 243 HB3 GLN 38 2HB GLN 38 11.116 13.692 6.658 244 HG2 GLN 38 1HG GLN 38 13.279 14.310 6.358 245 HG3 GLN 38 2HG GLN 38 13.508 12.597 6.706 246 HE21 GLN 38 1HE2 GLN 38 13.618 15.074 4.291 247 HE22 GLN 38 2HE2 GLN 38 14.411 14.142 3.072 248 H ARG 39 H ARG 39 12.398 9.553 6.897 249 HA ARG 39 HA ARG 39 11.644 9.776 9.679 250 HB2 ARG 39 1HB ARG 39 12.757 7.642 9.961 251 HB3 ARG 39 2HB ARG 39 11.725 7.583 8.539 252 HG2 ARG 39 1HG ARG 39 13.580 6.596 7.686 253 HG3 ARG 39 2HG ARG 39 13.973 8.279 7.330 254 HD2 ARG 39 1HD ARG 39 15.881 7.128 8.316 255 HD3 ARG 39 2HD ARG 39 15.296 8.406 9.380 256 HE ARG 39 HE ARG 39 14.008 6.247 10.323 257 HH11 ARG 39 1HH1 ARG 39 17.352 6.822 9.546 258 HH12 ARG 39 2HH1 ARG 39 17.955 5.722 10.741 259 HH21 ARG 39 1HH2 ARG 39 14.789 4.796 11.900 260 HH22 ARG 39 2HH2 ARG 39 16.496 4.570 12.079 261 HA PRO 40 HA PRO 40 15.210 11.949 11.065 262 HB2 PRO 40 1HB PRO 40 15.246 11.127 13.652 263 HB3 PRO 40 2HB PRO 40 14.062 12.281 13.027 264 HG2 PRO 40 1HG PRO 40 13.770 9.340 13.507 265 HG3 PRO 40 2HG PRO 40 12.633 10.652 13.871 266 HD2 PRO 40 1HD PRO 40 12.372 9.060 11.696 267 HD3 PRO 40 2HD PRO 40 11.869 10.762 11.699 268 H SER 41 H SER 41 17.381 11.649 11.711 269 HA SER 41 HA SER 41 18.381 8.953 11.192 270 HB2 SER 41 1HB SER 41 20.617 10.130 11.089 271 HB3 SER 41 2HB SER 41 19.447 10.645 9.874 272 HG SER 41 HG SER 41 20.575 12.056 11.937 273 H GLY 42 H GLY 42 18.710 7.661 12.871 274 HA2 GLY 42 1HA GLY 42 18.815 8.561 15.556 275 HA3 GLY 42 2HA GLY 42 19.178 6.934 15.000 276 HA PRO 43 HA PRO 43 23.373 7.627 16.100 277 HB2 PRO 43 1HB PRO 43 24.561 5.760 14.528 278 HB3 PRO 43 2HB PRO 43 23.631 5.348 15.973 279 HG2 PRO 43 1HG PRO 43 22.795 5.281 13.099 280 HG3 PRO 43 2HG PRO 43 22.484 4.097 14.383 281 HD2 PRO 43 1HD PRO 43 20.631 5.904 13.588 282 HD3 PRO 43 2HD PRO 43 20.738 5.319 15.261 283 H SER 44 H SER 44 22.463 7.592 12.695 284 HA SER 44 HA SER 44 24.870 8.626 11.653 285 HB2 SER 44 1HB SER 44 22.072 8.345 10.676 286 HB3 SER 44 2HB SER 44 23.117 9.480 9.823 287 HG SER 44 HG SER 44 23.149 7.268 9.026 288 H SER 45 H SER 45 25.342 10.747 10.894 289 HA SER 45 HA SER 45 24.340 12.808 12.682 290 HB2 SER 45 1HB SER 45 26.700 12.523 10.874 291 HB3 SER 45 2HB SER 45 26.152 14.149 11.280 292 HG SER 45 HG SER 45 26.418 12.322 13.367 293 H GLY 46 H GLY 46 22.992 14.412 12.128 294 HA2 GLY 46 1HA GLY 46 22.729 15.506 9.545 295 HA3 GLY 46 2HA GLY 46 21.471 14.301 9.779 Start of MODEL 12 1 H1 GLY 1 H GLY 1 18.679 -19.393 -22.668 2 HA2 GLY 1 1HA GLY 1 16.869 -18.904 -24.217 3 HA3 GLY 1 2HA GLY 1 15.924 -20.149 -23.413 4 H SER 2 H SER 2 16.248 -16.911 -23.758 5 HA SER 2 HA SER 2 16.044 -15.812 -21.222 6 HB2 SER 2 1HB SER 2 14.908 -14.961 -23.880 7 HB3 SER 2 2HB SER 2 14.652 -14.005 -22.420 8 HG SER 2 HG SER 2 16.501 -13.317 -23.572 9 H SER 3 H SER 3 14.631 -16.112 -19.645 10 HA SER 3 HA SER 3 12.153 -17.496 -20.112 11 HB2 SER 3 1HB SER 3 13.671 -16.565 -17.721 12 HB3 SER 3 2HB SER 3 11.941 -16.851 -17.534 13 HG SER 3 HG SER 3 12.246 -18.965 -18.205 14 H GLY 4 H GLY 4 10.239 -16.610 -20.517 15 HA2 GLY 4 1HA GLY 4 9.809 -13.918 -20.983 16 HA3 GLY 4 2HA GLY 4 8.532 -15.077 -20.644 17 H SER 5 H SER 5 8.694 -12.278 -19.873 18 HA SER 5 HA SER 5 9.357 -12.066 -17.121 19 HB2 SER 5 1HB SER 5 7.778 -10.365 -19.032 20 HB3 SER 5 2HB SER 5 7.831 -9.972 -17.314 21 HG SER 5 HG SER 5 10.224 -10.463 -18.697 22 H SER 6 H SER 6 7.934 -11.823 -15.328 23 HA SER 6 HA SER 6 6.135 -13.801 -14.880 24 HB2 SER 6 1HB SER 6 5.256 -12.486 -13.025 25 HB3 SER 6 2HB SER 6 7.001 -12.257 -13.139 26 HG SER 6 HG SER 6 6.544 -10.215 -13.228 27 H GLY 7 H GLY 7 4.046 -14.254 -15.317 28 HA2 GLY 7 1HA GLY 7 2.508 -12.201 -16.786 29 HA3 GLY 7 2HA GLY 7 2.496 -13.898 -17.242 30 H THR 8 H THR 8 2.329 -15.009 -14.645 31 HA THR 8 HA THR 8 -0.339 -15.309 -14.242 32 HB THR 8 HB THR 8 1.360 -16.653 -13.073 33 HG1 THR 8 HG1 THR 8 -0.182 -15.550 -11.002 34 HG21 THR 8 3HG2 THR 8 1.710 -14.154 -11.420 35 HG22 THR 8 1HG2 THR 8 2.932 -14.985 -12.381 36 HG23 THR 8 2HG2 THR 8 2.287 -15.745 -10.926 37 H GLY 9 H GLY 9 -1.831 -14.518 -12.620 38 HA2 GLY 9 1HA GLY 9 -2.313 -11.836 -12.648 39 HA3 GLY 9 2HA GLY 9 -2.855 -12.888 -11.349 40 H GLU 10 H GLU 10 -2.382 -10.336 -10.703 41 HA GLU 10 HA GLU 10 0.016 -10.553 -9.038 42 HB2 GLU 10 1HB GLU 10 0.349 -9.148 -11.205 43 HB3 GLU 10 2HB GLU 10 -0.614 -7.938 -10.368 44 HG2 GLU 10 1HG GLU 10 1.926 -7.773 -10.206 45 HG3 GLU 10 2HG GLU 10 0.991 -7.617 -8.720 46 H LYS 11 H LYS 11 0.040 -8.638 -7.423 47 HA LYS 11 HA LYS 11 -2.705 -8.299 -6.409 48 HB2 LYS 11 1HB LYS 11 -0.080 -8.726 -5.031 49 HB3 LYS 11 2HB LYS 11 -1.373 -7.878 -4.193 50 HG2 LYS 11 1HG LYS 11 -1.878 -10.537 -5.462 51 HG3 LYS 11 2HG LYS 11 -1.118 -10.424 -3.873 52 HD2 LYS 11 1HD LYS 11 -3.009 -9.306 -2.959 53 HD3 LYS 11 2HD LYS 11 -3.724 -9.075 -4.556 54 HE2 LYS 11 1HE LYS 11 -3.220 -11.773 -3.312 55 HE3 LYS 11 2HE LYS 11 -4.752 -10.909 -3.193 56 HZ1 LYS 11 3HZ LYS 11 -5.295 -11.438 -5.281 57 HZ2 LYS 11 1HZ LYS 11 -4.110 -12.638 -5.152 58 HZ3 LYS 11 2HZ LYS 11 -3.739 -11.158 -5.882 59 HA PRO 12 HA PRO 12 -1.250 -4.063 -7.544 60 HB2 PRO 12 1HB PRO 12 -3.661 -3.253 -8.493 61 HB3 PRO 12 2HB PRO 12 -2.481 -4.120 -9.483 62 HG2 PRO 12 1HG PRO 12 -4.903 -5.167 -8.069 63 HG3 PRO 12 2HG PRO 12 -4.312 -5.537 -9.700 64 HD2 PRO 12 1HD PRO 12 -3.902 -7.188 -7.593 65 HD3 PRO 12 2HD PRO 12 -2.741 -7.035 -8.928 66 H TYR 13 H TYR 13 -3.740 -5.386 -5.557 67 HA TYR 13 HA TYR 13 -4.291 -2.801 -4.302 68 HB2 TYR 13 1HB TYR 13 -5.578 -5.325 -3.368 69 HB3 TYR 13 2HB TYR 13 -6.247 -3.701 -3.483 70 HD1 TYR 13 HD2 TYR 13 -6.192 -2.844 -6.104 71 HD2 TYR 13 HD1 TYR 13 -6.577 -6.861 -4.754 72 HE1 TYR 13 HE2 TYR 13 -7.293 -3.443 -8.220 73 HE2 TYR 13 HE1 TYR 13 -7.677 -7.472 -6.867 74 HH TYR 13 HH TYR 13 -8.028 -6.766 -9.032 75 H LYS 14 H LYS 14 -1.700 -3.969 -3.980 76 HA LYS 14 HA LYS 14 -1.691 -4.236 -1.061 77 HB2 LYS 14 1HB LYS 14 -0.628 -6.176 -3.049 78 HB3 LYS 14 2HB LYS 14 0.343 -5.883 -1.611 79 HG2 LYS 14 1HG LYS 14 -2.548 -6.449 -1.248 80 HG3 LYS 14 2HG LYS 14 -1.484 -7.783 -1.699 81 HD2 LYS 14 1HD LYS 14 -0.875 -5.939 0.598 82 HD3 LYS 14 2HD LYS 14 -1.852 -7.397 0.789 83 HE2 LYS 14 1HE LYS 14 0.907 -7.414 -0.415 84 HE3 LYS 14 2HE LYS 14 0.613 -7.624 1.311 85 HZ1 LYS 14 3HZ LYS 14 -0.976 -9.334 -0.387 86 HZ2 LYS 14 1HZ LYS 14 -0.100 -9.708 1.012 87 HZ3 LYS 14 2HZ LYS 14 0.688 -9.623 -0.483 88 H CYS 15 H CYS 15 0.604 -4.005 -0.197 89 HA CYS 15 HA CYS 15 1.769 -1.652 -1.427 90 HB2 CYS 15 1HB CYS 15 1.341 -2.055 1.105 91 HB3 CYS 15 2HB CYS 15 2.831 -2.992 1.043 92 H MET 16 H MET 16 3.288 -1.831 -2.926 93 HA MET 16 HA MET 16 4.897 -4.253 -3.093 94 HB2 MET 16 1HB MET 16 4.685 -1.866 -4.936 95 HB3 MET 16 2HB MET 16 5.677 -3.285 -5.247 96 HG2 MET 16 1HG MET 16 3.625 -4.670 -5.191 97 HG3 MET 16 2HG MET 16 2.680 -3.192 -5.027 98 HE1 MET 16 3HE MET 16 1.662 -3.502 -8.627 99 HE2 MET 16 1HE MET 16 1.571 -4.698 -7.334 100 HE3 MET 16 2HE MET 16 1.249 -2.999 -6.987 101 H GLU 17 H GLU 17 5.141 -1.633 -1.282 102 HA GLU 17 HA GLU 17 7.944 -1.020 -1.800 103 HB2 GLU 17 1HB GLU 17 6.013 0.123 0.227 104 HB3 GLU 17 2HB GLU 17 7.660 0.683 -0.028 105 HG2 GLU 17 1HG GLU 17 6.790 0.946 -2.514 106 HG3 GLU 17 2HG GLU 17 5.239 1.081 -1.688 107 H CYS 18 H CYS 18 5.954 -2.070 0.966 108 HA CYS 18 HA CYS 18 8.379 -3.195 2.191 109 HB2 CYS 18 1HB CYS 18 7.191 -3.125 4.306 110 HB3 CYS 18 2HB CYS 18 7.115 -1.542 3.539 111 H GLY 19 H GLY 19 4.977 -3.936 1.489 112 HA2 GLY 19 1HA GLY 19 4.260 -6.030 0.632 113 HA3 GLY 19 2HA GLY 19 5.713 -6.766 1.290 114 H LYS 20 H LYS 20 2.698 -5.181 2.306 115 HA LYS 20 HA LYS 20 2.532 -7.132 4.502 116 HB2 LYS 20 1HB LYS 20 3.202 -4.685 5.123 117 HB3 LYS 20 2HB LYS 20 1.501 -4.337 4.846 118 HG2 LYS 20 1HG LYS 20 0.905 -6.039 6.521 119 HG3 LYS 20 2HG LYS 20 2.622 -6.305 6.830 120 HD2 LYS 20 1HD LYS 20 2.614 -3.696 7.203 121 HD3 LYS 20 2HD LYS 20 0.900 -3.973 7.523 122 HE2 LYS 20 1HE LYS 20 2.930 -5.709 8.850 123 HE3 LYS 20 2HE LYS 20 2.666 -4.077 9.461 124 HZ1 LYS 20 3HZ LYS 20 1.076 -5.091 10.654 125 HZ2 LYS 20 1HZ LYS 20 0.944 -6.405 9.595 126 HZ3 LYS 20 2HZ LYS 20 0.159 -4.950 9.239 127 H ALA 21 H ALA 21 0.401 -7.678 5.177 128 HA ALA 21 HA ALA 21 -1.515 -7.582 3.009 129 HB1 ALA 21 3HB ALA 21 -2.826 -8.939 4.903 130 HB2 ALA 21 1HB ALA 21 -1.617 -9.680 3.854 131 HB3 ALA 21 2HB ALA 21 -1.175 -9.166 5.483 132 H PHE 22 H PHE 22 -3.440 -6.523 2.989 133 HA PHE 22 HA PHE 22 -4.195 -4.980 5.371 134 HB2 PHE 22 1HB PHE 22 -4.086 -3.889 2.551 135 HB3 PHE 22 2HB PHE 22 -4.715 -3.030 3.953 136 HD1 PHE 22 HD1 PHE 22 -1.673 -4.407 2.399 137 HD2 PHE 22 HD2 PHE 22 -3.269 -1.951 5.487 138 HE1 PHE 22 HE1 PHE 22 0.582 -3.544 2.874 139 HE2 PHE 22 HE2 PHE 22 -1.017 -1.084 5.967 140 HZ PHE 22 HZ PHE 22 0.912 -1.879 4.659 141 H GLY 23 H GLY 23 -6.405 -4.581 5.615 142 HA2 GLY 23 1HA GLY 23 -8.101 -6.394 4.062 143 HA3 GLY 23 2HA GLY 23 -8.510 -5.665 5.607 144 H ASP 24 H ASP 24 -8.174 -3.025 5.218 145 HA ASP 24 HA ASP 24 -10.127 -2.436 3.097 146 HB2 ASP 24 1HB ASP 24 -9.555 -1.015 5.703 147 HB3 ASP 24 2HB ASP 24 -10.632 -0.384 4.459 148 H ASN 25 H ASN 25 -9.616 -1.064 1.501 149 HA ASN 25 HA ASN 25 -7.013 -0.358 0.906 150 HB2 ASN 25 1HB ASN 25 -9.344 1.311 -0.013 151 HB3 ASN 25 2HB ASN 25 -7.874 0.898 -0.890 152 HD21 ASN 25 1HD2 ASN 25 -7.693 -1.106 -1.866 153 HD22 ASN 25 2HD2 ASN 25 -9.055 -2.139 -2.116 154 H SER 26 H SER 26 -9.521 1.602 2.472 155 HA SER 26 HA SER 26 -8.398 4.052 2.643 156 HB2 SER 26 1HB SER 26 -10.548 3.087 3.771 157 HB3 SER 26 2HB SER 26 -9.496 2.849 5.166 158 HG SER 26 HG SER 26 -9.382 4.951 5.459 159 H SER 27 H SER 27 -7.623 1.326 4.789 160 HA SER 27 HA SER 27 -5.776 2.611 6.425 161 HB2 SER 27 1HB SER 27 -6.264 -0.224 5.636 162 HB3 SER 27 2HB SER 27 -4.750 0.153 6.458 163 HG SER 27 HG SER 27 -7.276 0.013 7.456 164 H CYS 28 H CYS 28 -5.249 0.873 3.374 165 HA CYS 28 HA CYS 28 -2.481 1.055 3.254 166 HB2 CYS 28 1HB CYS 28 -4.123 -0.185 1.695 167 HB3 CYS 28 2HB CYS 28 -4.215 1.333 0.810 168 HG CYS 28 HG CYS 28 -1.309 -0.392 1.356 169 H THR 29 H THR 29 -4.909 3.474 2.690 170 HA THR 29 HA THR 29 -3.442 5.312 1.173 171 HB THR 29 HB THR 29 -5.484 6.054 3.270 172 HG1 THR 29 HG1 THR 29 -5.767 4.834 0.748 173 HG21 THR 29 3HG2 THR 29 -5.922 7.663 1.143 174 HG22 THR 29 1HG2 THR 29 -4.181 7.422 1.003 175 HG23 THR 29 2HG2 THR 29 -4.864 8.085 2.488 176 H GLN 30 H GLN 30 -4.000 5.329 4.700 177 HA GLN 30 HA GLN 30 -2.100 7.377 5.195 178 HB2 GLN 30 1HB GLN 30 -2.448 6.906 7.534 179 HB3 GLN 30 2HB GLN 30 -3.998 6.836 6.705 180 HG2 GLN 30 1HG GLN 30 -4.202 4.575 6.977 181 HG3 GLN 30 2HG GLN 30 -2.461 4.319 7.074 182 HE21 GLN 30 1HE2 GLN 30 -5.099 5.909 8.827 183 HE22 GLN 30 2HE2 GLN 30 -4.516 5.518 10.406 184 H HIS 31 H HIS 31 -1.813 4.017 4.645 185 HA HIS 31 HA HIS 31 0.722 3.740 6.019 186 HB2 HIS 31 1HB HIS 31 -0.656 1.794 6.035 187 HB3 HIS 31 2HB HIS 31 -0.905 1.874 4.293 188 HD1 HIS 31 HD1 HIS 31 1.558 0.776 6.876 189 HD2 HIS 31 HD2 HIS 31 1.178 0.821 2.739 190 HE1 HIS 31 HE1 HIS 31 3.390 -0.717 6.016 191 H GLN 32 H GLN 32 -0.336 4.874 3.026 192 HA GLN 32 HA GLN 32 2.067 4.130 1.575 193 HB2 GLN 32 1HB GLN 32 -0.358 4.358 0.634 194 HB3 GLN 32 2HB GLN 32 0.023 6.073 0.558 195 HG2 GLN 32 1HG GLN 32 1.741 5.737 -0.999 196 HG3 GLN 32 2HG GLN 32 1.792 4.002 -0.691 197 HE21 GLN 32 1HE2 GLN 32 0.515 2.675 -1.843 198 HE22 GLN 32 2HE2 GLN 32 -0.611 3.197 -3.045 199 H ARG 33 H ARG 33 0.468 7.153 2.575 200 HA ARG 33 HA ARG 33 2.457 8.917 1.751 201 HB2 ARG 33 1HB ARG 33 1.423 10.546 3.138 202 HB3 ARG 33 2HB ARG 33 0.135 9.494 2.566 203 HG2 ARG 33 1HG ARG 33 0.064 8.349 4.681 204 HG3 ARG 33 2HG ARG 33 1.458 9.264 5.260 205 HD2 ARG 33 1HD ARG 33 -0.396 10.335 6.213 206 HD3 ARG 33 2HD ARG 33 0.051 11.348 4.841 207 HE ARG 33 HE ARG 33 -2.360 9.778 5.141 208 HH11 ARG 33 1HH1 ARG 33 -0.258 11.505 2.970 209 HH12 ARG 33 2HH1 ARG 33 -1.480 11.740 1.765 210 HH21 ARG 33 1HH2 ARG 33 -3.978 10.081 3.563 211 HH22 ARG 33 2HH2 ARG 33 -3.596 10.931 2.104 212 H LEU 34 H LEU 34 2.289 6.849 4.542 213 HA LEU 34 HA LEU 34 4.261 8.133 6.114 214 HB2 LEU 34 1HB LEU 34 4.074 6.361 7.549 215 HB3 LEU 34 2HB LEU 34 2.531 6.270 6.702 216 HG LEU 34 HG LEU 34 3.710 4.551 5.185 217 HD11 LEU 34 1HD1 LEU 34 5.394 3.353 6.943 218 HD12 LEU 34 2HD1 LEU 34 5.743 5.056 7.237 219 HD13 LEU 34 3HD1 LEU 34 5.905 4.391 5.612 220 HD21 LEU 34 3HD2 LEU 34 2.113 4.333 7.386 221 HD22 LEU 34 1HD2 LEU 34 3.485 3.320 7.831 222 HD23 LEU 34 2HD2 LEU 34 2.594 2.992 6.345 223 H HIS 35 H HIS 35 4.407 5.568 3.686 224 HA HIS 35 HA HIS 35 7.090 4.850 4.003 225 HB2 HIS 35 1HB HIS 35 5.085 4.629 1.816 226 HB3 HIS 35 2HB HIS 35 6.777 4.393 1.386 227 HD1 HIS 35 HD1 HIS 35 7.412 2.980 4.231 228 HD2 HIS 35 HD2 HIS 35 4.499 1.917 1.466 229 HE1 HIS 35 HE1 HIS 35 6.921 0.553 4.671 230 H THR 36 H THR 36 5.598 7.414 2.087 231 HA THR 36 HA THR 36 8.218 8.304 1.152 232 HB THR 36 HB THR 36 6.984 9.905 -0.240 233 HG1 THR 36 HG1 THR 36 5.176 10.086 1.290 234 HG21 THR 36 3HG2 THR 36 6.515 8.362 -1.824 235 HG22 THR 36 1HG2 THR 36 5.436 7.453 -0.766 236 HG23 THR 36 2HG2 THR 36 7.182 7.235 -0.644 237 H GLY 37 H GLY 37 8.318 10.862 1.048 238 HA2 GLY 37 1HA GLY 37 7.181 12.553 2.863 239 HA3 GLY 37 2HA GLY 37 8.417 11.718 3.791 240 H GLN 38 H GLN 38 10.511 11.509 2.138 241 HA GLN 38 HA GLN 38 12.362 12.696 1.526 242 HB2 GLN 38 1HB GLN 38 10.129 13.747 -0.139 243 HB3 GLN 38 2HB GLN 38 11.663 14.605 -0.195 244 HG2 GLN 38 1HG GLN 38 12.761 12.428 -0.747 245 HG3 GLN 38 2HG GLN 38 11.150 11.726 -0.892 246 HE21 GLN 38 1HE2 GLN 38 9.982 12.072 -2.704 247 HE22 GLN 38 2HE2 GLN 38 10.545 12.976 -4.064 248 H ARG 39 H ARG 39 11.473 13.487 3.996 249 HA ARG 39 HA ARG 39 12.009 16.383 3.945 250 HB2 ARG 39 1HB ARG 39 10.689 16.234 6.238 251 HB3 ARG 39 2HB ARG 39 9.851 16.454 4.707 252 HG2 ARG 39 1HG ARG 39 8.636 14.802 5.816 253 HG3 ARG 39 2HG ARG 39 9.630 13.915 4.658 254 HD2 ARG 39 1HD ARG 39 9.567 12.887 6.919 255 HD3 ARG 39 2HD ARG 39 11.190 13.305 6.374 256 HE ARG 39 HE ARG 39 11.339 14.831 8.080 257 HH11 ARG 39 1HH1 ARG 39 8.027 13.825 7.713 258 HH12 ARG 39 2HH1 ARG 39 7.491 14.609 9.162 259 HH21 ARG 39 1HH2 ARG 39 10.646 15.868 9.990 260 HH22 ARG 39 2HH2 ARG 39 8.982 15.772 10.456 261 HA PRO 40 HA PRO 40 15.236 14.099 6.421 262 HB2 PRO 40 1HB PRO 40 17.360 15.280 5.211 263 HB3 PRO 40 2HB PRO 40 16.594 13.813 4.590 264 HG2 PRO 40 1HG PRO 40 16.234 16.654 3.715 265 HG3 PRO 40 2HG PRO 40 16.401 15.191 2.726 266 HD2 PRO 40 1HD PRO 40 14.004 16.347 3.223 267 HD3 PRO 40 2HD PRO 40 14.193 14.595 3.009 268 H SER 41 H SER 41 14.778 17.458 5.501 269 HA SER 41 HA SER 41 16.510 18.766 7.191 270 HB2 SER 41 1HB SER 41 14.724 19.663 5.473 271 HB3 SER 41 2HB SER 41 13.717 19.813 6.913 272 HG SER 41 HG SER 41 15.482 21.048 7.831 273 H GLY 42 H GLY 42 16.811 18.653 9.309 274 HA2 GLY 42 1HA GLY 42 14.800 17.487 11.028 275 HA3 GLY 42 2HA GLY 42 16.414 17.994 11.502 276 HA PRO 43 HA PRO 43 14.592 21.421 13.558 277 HB2 PRO 43 1HB PRO 43 16.744 23.074 13.655 278 HB3 PRO 43 2HB PRO 43 16.594 21.633 14.667 279 HG2 PRO 43 1HG PRO 43 18.116 22.007 12.117 280 HG3 PRO 43 2HG PRO 43 18.609 21.173 13.602 281 HD2 PRO 43 1HD PRO 43 17.713 19.849 11.416 282 HD3 PRO 43 2HD PRO 43 17.434 19.263 13.069 283 H SER 44 H SER 44 14.876 24.013 13.330 284 HA SER 44 HA SER 44 14.347 24.621 10.494 285 HB2 SER 44 1HB SER 44 12.802 26.386 11.306 286 HB3 SER 44 2HB SER 44 12.303 24.773 11.814 287 HG SER 44 HG SER 44 12.610 26.801 13.364 288 H SER 45 H SER 45 14.800 26.848 9.834 289 HA SER 45 HA SER 45 17.383 27.640 10.244 290 HB2 SER 45 1HB SER 45 15.986 28.519 8.429 291 HB3 SER 45 2HB SER 45 15.034 29.439 9.594 292 HG SER 45 HG SER 45 16.647 30.723 8.606 293 H GLY 46 H GLY 46 18.451 29.147 11.526 294 HA2 GLY 46 1HA GLY 46 18.618 30.770 13.233 295 HA3 GLY 46 2HA GLY 46 16.956 30.426 13.690 Start of MODEL 13 1 H1 GLY 1 H GLY 1 19.482 -11.515 2.592 2 HA2 GLY 1 1HA GLY 1 19.205 -12.955 0.689 3 HA3 GLY 1 2HA GLY 1 20.938 -12.797 0.933 4 H SER 2 H SER 2 18.199 -14.767 2.080 5 HA SER 2 HA SER 2 19.799 -17.165 1.604 6 HB2 SER 2 1HB SER 2 19.210 -18.097 3.815 7 HB3 SER 2 2HB SER 2 20.189 -16.637 3.962 8 HG SER 2 HG SER 2 17.824 -17.105 5.027 9 H SER 3 H SER 3 18.392 -19.175 1.987 10 HA SER 3 HA SER 3 16.164 -19.039 0.289 11 HB2 SER 3 1HB SER 3 17.299 -21.127 0.483 12 HB3 SER 3 2HB SER 3 17.087 -21.158 2.233 13 HG SER 3 HG SER 3 14.849 -21.098 0.527 14 H GLY 4 H GLY 4 13.988 -18.932 0.638 15 HA2 GLY 4 1HA GLY 4 13.081 -18.672 3.431 16 HA3 GLY 4 2HA GLY 4 12.637 -17.463 2.236 17 H SER 5 H SER 5 10.424 -17.949 2.713 18 HA SER 5 HA SER 5 9.259 -20.481 2.454 19 HB2 SER 5 1HB SER 5 7.124 -19.214 2.096 20 HB3 SER 5 2HB SER 5 8.037 -18.687 3.510 21 HG SER 5 HG SER 5 8.847 -16.962 2.225 22 H SER 6 H SER 6 9.014 -21.747 0.747 23 HA SER 6 HA SER 6 9.386 -20.634 -1.926 24 HB2 SER 6 1HB SER 6 9.228 -23.503 -0.972 25 HB3 SER 6 2HB SER 6 9.534 -23.009 -2.637 26 HG SER 6 HG SER 6 11.262 -23.213 -0.594 27 H GLY 7 H GLY 7 6.990 -19.882 -0.740 28 HA2 GLY 7 1HA GLY 7 4.919 -19.622 -1.934 29 HA3 GLY 7 2HA GLY 7 5.079 -21.281 -2.489 30 H THR 8 H THR 8 4.248 -19.227 0.224 31 HA THR 8 HA THR 8 3.307 -21.517 1.771 32 HB THR 8 HB THR 8 3.322 -18.578 2.488 33 HG1 THR 8 HG1 THR 8 5.011 -19.629 4.002 34 HG21 THR 8 3HG2 THR 8 1.681 -20.346 3.594 35 HG22 THR 8 1HG2 THR 8 2.491 -19.108 4.554 36 HG23 THR 8 2HG2 THR 8 3.132 -20.750 4.512 37 H GLY 9 H GLY 9 1.955 -18.351 0.804 38 HA2 GLY 9 1HA GLY 9 -0.273 -19.022 -0.520 39 HA3 GLY 9 2HA GLY 9 -0.739 -19.385 1.135 40 H GLU 10 H GLU 10 0.837 -16.750 -0.683 41 HA GLU 10 HA GLU 10 -0.714 -14.847 0.944 42 HB2 GLU 10 1HB GLU 10 2.042 -14.779 -0.174 43 HB3 GLU 10 2HB GLU 10 1.158 -13.261 -0.109 44 HG2 GLU 10 1HG GLU 10 2.612 -13.697 1.857 45 HG3 GLU 10 2HG GLU 10 0.918 -13.407 2.251 46 H LYS 11 H LYS 11 -1.665 -13.043 -0.076 47 HA LYS 11 HA LYS 11 -2.829 -13.588 -2.596 48 HB2 LYS 11 1HB LYS 11 -2.774 -11.134 -0.847 49 HB3 LYS 11 2HB LYS 11 -3.613 -11.160 -2.393 50 HG2 LYS 11 1HG LYS 11 -5.081 -12.899 -1.633 51 HG3 LYS 11 2HG LYS 11 -4.170 -13.065 -0.130 52 HD2 LYS 11 1HD LYS 11 -4.835 -10.873 0.584 53 HD3 LYS 11 2HD LYS 11 -5.581 -10.539 -0.980 54 HE2 LYS 11 1HE LYS 11 -7.438 -11.119 0.213 55 HE3 LYS 11 2HE LYS 11 -6.964 -12.709 -0.384 56 HZ1 LYS 11 3HZ LYS 11 -7.268 -11.905 2.260 57 HZ2 LYS 11 1HZ LYS 11 -5.615 -12.181 2.028 58 HZ3 LYS 11 2HZ LYS 11 -6.732 -13.405 1.689 59 HA PRO 12 HA PRO 12 0.181 -11.997 -5.385 60 HB2 PRO 12 1HB PRO 12 -1.435 -11.411 -7.486 61 HB3 PRO 12 2HB PRO 12 -1.003 -13.066 -7.039 62 HG2 PRO 12 1HG PRO 12 -3.498 -11.529 -6.428 63 HG3 PRO 12 2HG PRO 12 -3.322 -13.214 -6.949 64 HD2 PRO 12 1HD PRO 12 -3.754 -12.526 -4.366 65 HD3 PRO 12 2HD PRO 12 -2.795 -13.948 -4.828 66 H TYR 13 H TYR 13 -2.282 -10.121 -4.015 67 HA TYR 13 HA TYR 13 -1.227 -7.661 -5.242 68 HB2 TYR 13 1HB TYR 13 -3.751 -7.650 -3.652 69 HB3 TYR 13 2HB TYR 13 -3.298 -6.673 -5.044 70 HD1 TYR 13 HD2 TYR 13 -2.792 -8.338 -7.205 71 HD2 TYR 13 HD1 TYR 13 -5.552 -9.023 -4.040 72 HE1 TYR 13 HE2 TYR 13 -4.100 -9.815 -8.673 73 HE2 TYR 13 HE1 TYR 13 -6.867 -10.503 -5.499 74 HH TYR 13 HH TYR 13 -7.059 -11.408 -7.513 75 H LYS 14 H LYS 14 0.490 -7.204 -3.934 76 HA LYS 14 HA LYS 14 -0.171 -6.438 -1.184 77 HB2 LYS 14 1HB LYS 14 1.912 -8.393 -2.051 78 HB3 LYS 14 2HB LYS 14 2.273 -7.336 -0.693 79 HG2 LYS 14 1HG LYS 14 -0.254 -8.938 -0.762 80 HG3 LYS 14 2HG LYS 14 1.268 -9.653 -0.224 81 HD2 LYS 14 1HD LYS 14 0.355 -7.049 0.929 82 HD3 LYS 14 2HD LYS 14 -0.345 -8.561 1.511 83 HE2 LYS 14 1HE LYS 14 2.624 -8.109 1.360 84 HE3 LYS 14 2HE LYS 14 1.672 -7.656 2.773 85 HZ1 LYS 14 3HZ LYS 14 2.318 -9.756 3.339 86 HZ2 LYS 14 1HZ LYS 14 2.317 -10.325 1.746 87 HZ3 LYS 14 2HZ LYS 14 0.855 -10.112 2.569 88 H CYS 15 H CYS 15 1.550 -5.046 -0.212 89 HA CYS 15 HA CYS 15 2.129 -2.879 -1.910 90 HB2 CYS 15 1HB CYS 15 1.848 -2.556 0.477 91 HB3 CYS 15 2HB CYS 15 3.238 -3.582 0.815 92 H MET 16 H MET 16 3.847 -2.373 -3.133 93 HA MET 16 HA MET 16 5.876 -4.381 -3.550 94 HB2 MET 16 1HB MET 16 6.657 -2.895 -5.350 95 HB3 MET 16 2HB MET 16 4.934 -3.221 -5.471 96 HG2 MET 16 1HG MET 16 4.735 -0.989 -4.113 97 HG3 MET 16 2HG MET 16 6.344 -0.700 -4.770 98 HE1 MET 16 3HE MET 16 3.711 1.404 -5.888 99 HE2 MET 16 1HE MET 16 2.507 0.279 -6.517 100 HE3 MET 16 2HE MET 16 3.108 0.095 -4.869 101 H GLU 17 H GLU 17 5.679 -1.137 -2.188 102 HA GLU 17 HA GLU 17 8.374 -0.548 -1.921 103 HB2 GLU 17 1HB GLU 17 6.731 1.127 -1.434 104 HB3 GLU 17 2HB GLU 17 6.037 0.153 -0.145 105 HG2 GLU 17 1HG GLU 17 7.259 1.661 1.057 106 HG3 GLU 17 2HG GLU 17 8.422 0.347 0.893 107 H CYS 18 H CYS 18 6.307 -1.841 0.686 108 HA CYS 18 HA CYS 18 8.691 -3.206 1.757 109 HB2 CYS 18 1HB CYS 18 7.811 -2.912 3.981 110 HB3 CYS 18 2HB CYS 18 7.822 -1.344 3.179 111 H GLY 19 H GLY 19 5.153 -3.385 1.466 112 HA2 GLY 19 1HA GLY 19 4.097 -5.385 0.652 113 HA3 GLY 19 2HA GLY 19 5.414 -6.315 1.351 114 H LYS 20 H LYS 20 2.335 -4.874 1.886 115 HA LYS 20 HA LYS 20 2.140 -6.278 4.437 116 HB2 LYS 20 1HB LYS 20 2.778 -3.748 4.679 117 HB3 LYS 20 2HB LYS 20 1.082 -3.477 4.299 118 HG2 LYS 20 1HG LYS 20 0.943 -3.554 6.561 119 HG3 LYS 20 2HG LYS 20 0.742 -5.273 6.212 120 HD2 LYS 20 1HD LYS 20 3.234 -5.508 6.502 121 HD3 LYS 20 2HD LYS 20 3.244 -3.849 7.104 122 HE2 LYS 20 1HE LYS 20 1.467 -5.964 8.284 123 HE3 LYS 20 2HE LYS 20 3.128 -5.731 8.828 124 HZ1 LYS 20 3HZ LYS 20 1.053 -3.608 8.821 125 HZ2 LYS 20 1HZ LYS 20 2.615 -3.492 9.460 126 HZ3 LYS 20 2HZ LYS 20 1.482 -4.523 10.178 127 H ALA 21 H ALA 21 0.087 -6.988 4.931 128 HA ALA 21 HA ALA 21 -1.825 -6.878 2.734 129 HB1 ALA 21 3HB ALA 21 -1.640 -8.591 5.200 130 HB2 ALA 21 1HB ALA 21 -3.024 -8.627 4.107 131 HB3 ALA 21 2HB ALA 21 -1.422 -9.072 3.517 132 H PHE 22 H PHE 22 -3.947 -6.177 2.937 133 HA PHE 22 HA PHE 22 -4.797 -4.977 5.452 134 HB2 PHE 22 1HB PHE 22 -4.667 -3.405 2.869 135 HB3 PHE 22 2HB PHE 22 -5.383 -2.841 4.376 136 HD1 PHE 22 HD2 PHE 22 -3.885 -2.575 6.392 137 HD2 PHE 22 HD1 PHE 22 -2.384 -3.156 2.452 138 HE1 PHE 22 HE2 PHE 22 -1.701 -1.687 7.097 139 HE2 PHE 22 HE1 PHE 22 -0.197 -2.269 3.150 140 HZ PHE 22 HZ PHE 22 0.146 -1.533 5.475 141 H GLY 23 H GLY 23 -7.102 -4.197 5.301 142 HA2 GLY 23 1HA GLY 23 -8.609 -6.059 3.579 143 HA3 GLY 23 2HA GLY 23 -9.160 -5.469 5.140 144 H ASP 24 H ASP 24 -8.793 -2.784 4.958 145 HA ASP 24 HA ASP 24 -10.615 -2.059 2.762 146 HB2 ASP 24 1HB ASP 24 -11.185 -0.086 4.256 147 HB3 ASP 24 2HB ASP 24 -11.709 -1.665 4.833 148 H ASN 25 H ASN 25 -10.369 0.085 1.832 149 HA ASN 25 HA ASN 25 -7.731 0.616 1.029 150 HB2 ASN 25 1HB ASN 25 -9.433 1.277 -0.465 151 HB3 ASN 25 2HB ASN 25 -10.302 2.165 0.783 152 HD21 ASN 25 1HD2 ASN 25 -8.040 2.334 -1.712 153 HD22 ASN 25 2HD2 ASN 25 -7.529 3.967 -1.473 154 H SER 26 H SER 26 -9.836 2.256 3.364 155 HA SER 26 HA SER 26 -8.437 4.469 4.033 156 HB2 SER 26 1HB SER 26 -10.563 3.501 5.119 157 HB3 SER 26 2HB SER 26 -9.465 2.657 6.210 158 HG SER 26 HG SER 26 -9.919 5.418 5.924 159 H SER 27 H SER 27 -7.830 1.255 5.450 160 HA SER 27 HA SER 27 -5.685 1.875 7.060 161 HB2 SER 27 1HB SER 27 -6.941 -0.394 6.629 162 HB3 SER 27 2HB SER 27 -5.626 -0.676 5.488 163 HG SER 27 HG SER 27 -5.509 -1.215 7.963 164 H CYS 28 H CYS 28 -5.633 0.997 3.621 165 HA CYS 28 HA CYS 28 -2.824 1.128 3.331 166 HB2 CYS 28 1HB CYS 28 -4.325 -0.045 1.745 167 HB3 CYS 28 2HB CYS 28 -4.952 1.511 1.216 168 HG CYS 28 HG CYS 28 -2.826 2.308 -0.181 169 H THR 29 H THR 29 -5.398 3.500 2.915 170 HA THR 29 HA THR 29 -4.341 5.568 1.610 171 HB THR 29 HB THR 29 -5.614 5.890 4.334 172 HG1 THR 29 HG1 THR 29 -6.815 5.770 1.749 173 HG21 THR 29 3HG2 THR 29 -6.336 8.066 3.498 174 HG22 THR 29 1HG2 THR 29 -5.499 7.772 1.974 175 HG23 THR 29 2HG2 THR 29 -4.578 7.943 3.468 176 H GLN 30 H GLN 30 -3.777 5.265 5.124 177 HA GLN 30 HA GLN 30 -1.716 7.185 5.189 178 HB2 GLN 30 1HB GLN 30 -1.249 6.328 7.443 179 HB3 GLN 30 2HB GLN 30 -2.972 6.571 7.187 180 HG2 GLN 30 1HG GLN 30 -3.010 4.069 6.581 181 HG3 GLN 30 2HG GLN 30 -1.440 4.012 7.380 182 HE21 GLN 30 1HE2 GLN 30 -4.708 3.710 7.807 183 HE22 GLN 30 2HE2 GLN 30 -4.783 3.892 9.524 184 H HIS 31 H HIS 31 -1.647 3.646 5.017 185 HA HIS 31 HA HIS 31 0.955 3.023 5.340 186 HB2 HIS 31 1HB HIS 31 -0.869 1.442 4.666 187 HB3 HIS 31 2HB HIS 31 -0.677 2.004 3.008 188 HD1 HIS 31 HD1 HIS 31 1.375 0.317 5.720 189 HD2 HIS 31 HD2 HIS 31 1.198 0.649 1.582 190 HE1 HIS 31 HE1 HIS 31 3.104 -1.285 4.842 191 H GLN 32 H GLN 32 -0.434 4.597 2.506 192 HA GLN 32 HA GLN 32 1.985 4.567 0.990 193 HB2 GLN 32 1HB GLN 32 -0.445 4.818 0.149 194 HB3 GLN 32 2HB GLN 32 -0.263 6.517 0.567 195 HG2 GLN 32 1HG GLN 32 0.181 5.892 -1.834 196 HG3 GLN 32 2HG GLN 32 1.428 6.841 -1.025 197 HE21 GLN 32 1HE2 GLN 32 3.099 6.188 -2.311 198 HE22 GLN 32 2HE2 GLN 32 3.717 4.575 -2.322 199 H ARG 33 H ARG 33 0.448 6.845 3.182 200 HA ARG 33 HA ARG 33 2.056 9.082 2.641 201 HB2 ARG 33 1HB ARG 33 0.473 8.210 5.042 202 HB3 ARG 33 2HB ARG 33 1.443 9.676 5.085 203 HG2 ARG 33 1HG ARG 33 0.182 10.462 3.069 204 HG3 ARG 33 2HG ARG 33 -0.882 9.070 3.279 205 HD2 ARG 33 1HD ARG 33 -1.348 9.871 5.596 206 HD3 ARG 33 2HD ARG 33 -0.421 11.324 5.226 207 HE ARG 33 HE ARG 33 -3.080 10.669 4.304 208 HH11 ARG 33 1HH1 ARG 33 -0.243 12.632 3.834 209 HH12 ARG 33 2HH1 ARG 33 -1.087 13.873 2.968 210 HH21 ARG 33 1HH2 ARG 33 -4.201 12.297 3.166 211 HH22 ARG 33 2HH2 ARG 33 -3.338 13.682 2.590 212 H LEU 34 H LEU 34 2.291 6.910 5.465 213 HA LEU 34 HA LEU 34 4.694 7.790 6.461 214 HB2 LEU 34 1HB LEU 34 4.763 5.872 7.741 215 HB3 LEU 34 2HB LEU 34 3.050 6.015 7.352 216 HG LEU 34 HG LEU 34 3.773 4.395 5.365 217 HD11 LEU 34 1HD1 LEU 34 5.534 3.335 7.524 218 HD12 LEU 34 2HD1 LEU 34 6.169 4.532 6.396 219 HD13 LEU 34 3HD1 LEU 34 5.544 2.998 5.792 220 HD21 LEU 34 3HD2 LEU 34 3.478 3.033 7.978 221 HD22 LEU 34 1HD2 LEU 34 2.594 2.802 6.469 222 HD23 LEU 34 2HD2 LEU 34 2.212 4.171 7.513 223 H HIS 35 H HIS 35 4.129 6.101 3.544 224 HA HIS 35 HA HIS 35 6.789 5.012 3.298 225 HB2 HIS 35 1HB HIS 35 4.322 5.045 1.635 226 HB3 HIS 35 2HB HIS 35 5.856 4.821 0.799 227 HD1 HIS 35 HD1 HIS 35 7.057 3.131 3.304 228 HD2 HIS 35 HD2 HIS 35 3.580 2.384 1.156 229 HE1 HIS 35 HE1 HIS 35 6.587 0.680 3.616 230 H THR 36 H THR 36 6.069 8.024 3.514 231 HA THR 36 HA THR 36 7.355 8.998 1.074 232 HB THR 36 HB THR 36 6.784 11.261 1.934 233 HG1 THR 36 HG1 THR 36 5.178 11.157 3.743 234 HG21 THR 36 3HG2 THR 36 5.156 10.568 0.472 235 HG22 THR 36 1HG2 THR 36 4.191 10.767 1.934 236 HG23 THR 36 2HG2 THR 36 4.728 9.160 1.443 237 H GLY 37 H GLY 37 8.999 7.520 2.814 238 HA2 GLY 37 1HA GLY 37 10.457 8.991 4.677 239 HA3 GLY 37 2HA GLY 37 11.087 7.632 3.759 240 H GLN 38 H GLN 38 12.952 9.332 4.270 241 HA GLN 38 HA GLN 38 13.315 10.831 1.770 242 HB2 GLN 38 1HB GLN 38 14.038 11.809 4.537 243 HB3 GLN 38 2HB GLN 38 14.469 12.617 3.036 244 HG2 GLN 38 1HG GLN 38 12.059 12.864 2.530 245 HG3 GLN 38 2HG GLN 38 11.694 12.169 4.109 246 HE21 GLN 38 1HE2 GLN 38 11.791 14.965 2.538 247 HE22 GLN 38 2HE2 GLN 38 12.207 16.046 3.819 248 H ARG 39 H ARG 39 14.781 9.551 0.793 249 HA ARG 39 HA ARG 39 16.669 8.316 0.430 250 HB2 ARG 39 1HB ARG 39 17.624 10.665 2.042 251 HB3 ARG 39 2HB ARG 39 18.754 9.437 1.487 252 HG2 ARG 39 1HG ARG 39 17.824 9.866 -0.844 253 HG3 ARG 39 2HG ARG 39 17.079 11.308 -0.151 254 HD2 ARG 39 1HD ARG 39 19.150 11.986 -1.092 255 HD3 ARG 39 2HD ARG 39 19.363 11.973 0.658 256 HE ARG 39 HE ARG 39 20.861 10.236 0.442 257 HH11 ARG 39 1HH1 ARG 39 19.239 10.791 -2.587 258 HH12 ARG 39 2HH1 ARG 39 20.301 9.765 -3.493 259 HH21 ARG 39 1HH2 ARG 39 22.266 8.882 -0.739 260 HH22 ARG 39 2HH2 ARG 39 22.021 8.678 -2.441 261 HA PRO 40 HA PRO 40 16.387 6.382 4.735 262 HB2 PRO 40 1HB PRO 40 14.936 4.203 4.014 263 HB3 PRO 40 2HB PRO 40 14.195 5.720 4.539 264 HG2 PRO 40 1HG PRO 40 14.620 4.681 1.764 265 HG3 PRO 40 2HG PRO 40 13.196 5.482 2.454 266 HD2 PRO 40 1HD PRO 40 14.992 6.785 0.902 267 HD3 PRO 40 2HD PRO 40 14.108 7.585 2.218 268 H SER 41 H SER 41 17.733 5.867 1.763 269 HA SER 41 HA SER 41 19.495 4.617 1.042 270 HB2 SER 41 1HB SER 41 21.037 3.873 2.588 271 HB3 SER 41 2HB SER 41 20.109 4.984 3.594 272 HG SER 41 HG SER 41 20.541 2.719 4.371 273 H GLY 42 H GLY 42 16.855 3.661 0.722 274 HA2 GLY 42 1HA GLY 42 15.695 1.767 0.138 275 HA3 GLY 42 2HA GLY 42 17.277 1.085 -0.210 276 HA PRO 43 HA PRO 43 16.015 -0.091 4.342 277 HB2 PRO 43 1HB PRO 43 13.339 -0.050 4.801 278 HB3 PRO 43 2HB PRO 43 14.391 1.334 5.123 279 HG2 PRO 43 1HG PRO 43 12.616 0.811 2.770 280 HG3 PRO 43 2HG PRO 43 12.860 2.317 3.675 281 HD2 PRO 43 1HD PRO 43 14.062 1.835 1.297 282 HD3 PRO 43 2HD PRO 43 14.822 2.809 2.572 283 H SER 44 H SER 44 16.669 -2.053 3.291 284 HA SER 44 HA SER 44 14.965 -3.727 1.823 285 HB2 SER 44 1HB SER 44 17.524 -3.861 2.113 286 HB3 SER 44 2HB SER 44 17.177 -4.766 3.586 287 HG SER 44 HG SER 44 16.250 -6.359 2.398 288 H SER 45 H SER 45 12.966 -3.631 2.988 289 HA SER 45 HA SER 45 12.876 -4.988 5.570 290 HB2 SER 45 1HB SER 45 11.582 -2.917 5.314 291 HB3 SER 45 2HB SER 45 10.677 -3.638 3.983 292 HG SER 45 HG SER 45 10.334 -5.351 5.811 293 H GLY 46 H GLY 46 12.112 -7.002 5.880 294 HA2 GLY 46 1HA GLY 46 10.334 -8.324 4.098 295 HA3 GLY 46 2HA GLY 46 11.986 -8.860 3.829 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -4.563 -18.019 -11.614 2 HA2 GLY 1 1HA GLY 1 -2.794 -20.065 -12.417 3 HA3 GLY 1 2HA GLY 1 -2.949 -20.095 -10.667 4 H SER 2 H SER 2 -5.559 -19.523 -10.239 5 HA SER 2 HA SER 2 -7.630 -20.458 -10.157 6 HB2 SER 2 1HB SER 2 -6.920 -20.932 -13.043 7 HB3 SER 2 2HB SER 2 -8.445 -21.511 -12.374 8 HG SER 2 HG SER 2 -8.236 -19.255 -13.365 9 H SER 3 H SER 3 -5.520 -21.957 -9.126 10 HA SER 3 HA SER 3 -6.681 -24.604 -9.230 11 HB2 SER 3 1HB SER 3 -5.203 -25.139 -10.921 12 HB3 SER 3 2HB SER 3 -3.993 -23.978 -10.376 13 HG SER 3 HG SER 3 -3.887 -26.496 -9.973 14 H GLY 4 H GLY 4 -6.084 -25.924 -7.462 15 HA2 GLY 4 1HA GLY 4 -5.465 -24.465 -5.090 16 HA3 GLY 4 2HA GLY 4 -5.704 -26.202 -5.207 17 H SER 5 H SER 5 -3.574 -24.080 -4.153 18 HA SER 5 HA SER 5 -1.339 -24.075 -3.727 19 HB2 SER 5 1HB SER 5 -1.949 -26.974 -4.146 20 HB3 SER 5 2HB SER 5 -0.265 -26.475 -3.988 21 HG SER 5 HG SER 5 -1.251 -25.267 -2.042 22 H SER 6 H SER 6 -1.948 -23.109 -6.191 23 HA SER 6 HA SER 6 0.091 -24.267 -7.973 24 HB2 SER 6 1HB SER 6 -2.403 -24.016 -8.693 25 HB3 SER 6 2HB SER 6 -1.997 -22.311 -8.891 26 HG SER 6 HG SER 6 -1.401 -24.414 -10.486 27 H GLY 7 H GLY 7 1.759 -23.145 -6.781 28 HA2 GLY 7 1HA GLY 7 3.028 -21.287 -6.181 29 HA3 GLY 7 2HA GLY 7 2.918 -21.025 -7.915 30 H THR 8 H THR 8 1.195 -20.379 -4.878 31 HA THR 8 HA THR 8 -0.327 -18.229 -6.027 32 HB THR 8 HB THR 8 -1.093 -17.809 -3.714 33 HG1 THR 8 HG1 THR 8 -0.307 -19.668 -2.248 34 HG21 THR 8 3HG2 THR 8 -1.189 -20.775 -4.108 35 HG22 THR 8 1HG2 THR 8 -1.961 -19.704 -5.277 36 HG23 THR 8 2HG2 THR 8 -2.465 -19.675 -3.587 37 H GLY 9 H GLY 9 2.327 -18.431 -3.654 38 HA2 GLY 9 1HA GLY 9 3.956 -16.912 -3.093 39 HA3 GLY 9 2HA GLY 9 3.615 -16.108 -4.617 40 H GLU 10 H GLU 10 2.405 -14.267 -4.640 41 HA GLU 10 HA GLU 10 1.097 -13.426 -2.161 42 HB2 GLU 10 1HB GLU 10 2.140 -11.209 -2.266 43 HB3 GLU 10 2HB GLU 10 3.343 -12.473 -2.048 44 HG2 GLU 10 1HG GLU 10 4.384 -11.256 -3.647 45 HG3 GLU 10 2HG GLU 10 3.447 -12.331 -4.684 46 H LYS 11 H LYS 11 -0.374 -11.615 -2.459 47 HA LYS 11 HA LYS 11 -1.804 -11.842 -4.945 48 HB2 LYS 11 1HB LYS 11 -3.510 -10.556 -3.909 49 HB3 LYS 11 2HB LYS 11 -2.872 -11.622 -2.663 50 HG2 LYS 11 1HG LYS 11 -1.659 -9.847 -1.651 51 HG3 LYS 11 2HG LYS 11 -1.993 -8.766 -3.006 52 HD2 LYS 11 1HD LYS 11 -3.489 -8.112 -1.311 53 HD3 LYS 11 2HD LYS 11 -4.456 -9.072 -2.433 54 HE2 LYS 11 1HE LYS 11 -3.774 -11.041 -0.840 55 HE3 LYS 11 2HE LYS 11 -3.507 -9.737 0.317 56 HZ1 LYS 11 3HZ LYS 11 -5.887 -9.045 -0.545 57 HZ2 LYS 11 1HZ LYS 11 -5.685 -10.154 0.716 58 HZ3 LYS 11 2HZ LYS 11 -6.003 -10.704 -0.851 59 HA PRO 12 HA PRO 12 -0.017 -8.418 -7.056 60 HB2 PRO 12 1HB PRO 12 -2.065 -7.827 -8.738 61 HB3 PRO 12 2HB PRO 12 -1.030 -9.245 -8.945 62 HG2 PRO 12 1HG PRO 12 -3.758 -9.053 -7.726 63 HG3 PRO 12 2HG PRO 12 -3.112 -10.275 -8.837 64 HD2 PRO 12 1HD PRO 12 -3.310 -10.691 -6.169 65 HD3 PRO 12 2HD PRO 12 -2.020 -11.409 -7.154 66 H TYR 13 H TYR 13 -2.474 -8.152 -4.842 67 HA TYR 13 HA TYR 13 -2.692 -5.238 -5.214 68 HB2 TYR 13 1HB TYR 13 -4.575 -6.716 -3.434 69 HB3 TYR 13 2HB TYR 13 -4.850 -5.278 -4.410 70 HD1 TYR 13 HD1 TYR 13 -4.695 -8.949 -4.441 71 HD2 TYR 13 HD2 TYR 13 -5.537 -5.452 -6.713 72 HE1 TYR 13 HE1 TYR 13 -5.760 -10.337 -6.170 73 HE2 TYR 13 HE2 TYR 13 -6.606 -6.830 -8.448 74 HH TYR 13 HH TYR 13 -7.768 -9.194 -8.465 75 H LYS 14 H LYS 14 -0.403 -6.128 -4.045 76 HA LYS 14 HA LYS 14 -0.790 -5.333 -1.238 77 HB2 LYS 14 1HB LYS 14 -0.196 -7.845 -1.777 78 HB3 LYS 14 2HB LYS 14 1.427 -7.199 -1.973 79 HG2 LYS 14 1HG LYS 14 1.450 -6.399 0.284 80 HG3 LYS 14 2HG LYS 14 -0.251 -6.822 0.497 81 HD2 LYS 14 1HD LYS 14 0.721 -8.645 1.474 82 HD3 LYS 14 2HD LYS 14 0.633 -9.220 -0.192 83 HE2 LYS 14 1HE LYS 14 3.051 -7.710 0.660 84 HE3 LYS 14 2HE LYS 14 2.865 -9.373 1.215 85 HZ1 LYS 14 3HZ LYS 14 2.501 -8.754 -1.636 86 HZ2 LYS 14 1HZ LYS 14 3.009 -10.194 -0.908 87 HZ3 LYS 14 2HZ LYS 14 4.068 -8.879 -1.010 88 H CYS 15 H CYS 15 0.849 -4.074 -0.320 89 HA CYS 15 HA CYS 15 2.046 -2.167 -1.912 90 HB2 CYS 15 1HB CYS 15 1.825 -1.701 0.402 91 HB3 CYS 15 2HB CYS 15 2.725 -3.144 0.857 92 H MET 16 H MET 16 3.958 -1.939 -2.957 93 HA MET 16 HA MET 16 5.590 -4.351 -3.230 94 HB2 MET 16 1HB MET 16 6.542 -3.209 -5.211 95 HB3 MET 16 2HB MET 16 4.796 -3.398 -5.307 96 HG2 MET 16 1HG MET 16 4.434 -1.108 -4.814 97 HG3 MET 16 2HG MET 16 6.125 -0.871 -4.377 98 HE1 MET 16 3HE MET 16 4.272 0.688 -7.538 99 HE2 MET 16 1HE MET 16 3.920 -0.922 -8.168 100 HE3 MET 16 2HE MET 16 3.492 -0.512 -6.507 101 H GLU 17 H GLU 17 5.750 -1.028 -2.157 102 HA GLU 17 HA GLU 17 8.445 -0.532 -2.073 103 HB2 GLU 17 1HB GLU 17 6.501 0.960 -1.324 104 HB3 GLU 17 2HB GLU 17 6.634 0.155 0.233 105 HG2 GLU 17 1HG GLU 17 8.676 1.877 -1.137 106 HG3 GLU 17 2HG GLU 17 7.848 2.173 0.391 107 H CYS 18 H CYS 18 6.599 -1.873 0.673 108 HA CYS 18 HA CYS 18 9.061 -3.258 1.516 109 HB2 CYS 18 1HB CYS 18 8.332 -3.038 3.816 110 HB3 CYS 18 2HB CYS 18 8.345 -1.448 3.060 111 H GLY 19 H GLY 19 5.511 -3.433 1.520 112 HA2 GLY 19 1HA GLY 19 4.496 -5.483 0.651 113 HA3 GLY 19 2HA GLY 19 5.772 -6.375 1.466 114 H LYS 20 H LYS 20 2.640 -5.064 1.716 115 HA LYS 20 HA LYS 20 2.231 -6.350 4.252 116 HB2 LYS 20 1HB LYS 20 3.175 -3.906 4.604 117 HB3 LYS 20 2HB LYS 20 1.510 -3.451 4.268 118 HG2 LYS 20 1HG LYS 20 0.706 -4.459 6.180 119 HG3 LYS 20 2HG LYS 20 2.091 -5.545 6.315 120 HD2 LYS 20 1HD LYS 20 3.438 -3.925 7.257 121 HD3 LYS 20 2HD LYS 20 2.508 -2.597 6.557 122 HE2 LYS 20 1HE LYS 20 0.606 -3.438 8.095 123 HE3 LYS 20 2HE LYS 20 1.891 -4.283 8.957 124 HZ1 LYS 20 3HZ LYS 20 2.582 -1.567 8.453 125 HZ2 LYS 20 1HZ LYS 20 2.524 -2.405 9.922 126 HZ3 LYS 20 2HZ LYS 20 1.127 -1.674 9.310 127 H ALA 21 H ALA 21 0.090 -6.818 4.634 128 HA ALA 21 HA ALA 21 -1.767 -6.061 2.479 129 HB1 ALA 21 3HB ALA 21 -2.108 -8.252 2.322 130 HB2 ALA 21 1HB ALA 21 -1.191 -8.565 3.797 131 HB3 ALA 21 2HB ALA 21 -2.908 -8.169 3.892 132 H PHE 22 H PHE 22 -3.682 -5.098 2.928 133 HA PHE 22 HA PHE 22 -4.302 -4.594 5.764 134 HB2 PHE 22 1HB PHE 22 -4.622 -2.717 3.414 135 HB3 PHE 22 2HB PHE 22 -5.230 -2.397 5.035 136 HD1 PHE 22 HD1 PHE 22 -2.123 -3.045 3.118 137 HD2 PHE 22 HD2 PHE 22 -3.860 -1.423 6.649 138 HE1 PHE 22 HE1 PHE 22 0.048 -2.064 3.730 139 HE2 PHE 22 HE2 PHE 22 -1.692 -0.438 7.267 140 HZ PHE 22 HZ PHE 22 0.266 -0.757 5.807 141 H GLY 23 H GLY 23 -6.637 -3.955 6.097 142 HA2 GLY 23 1HA GLY 23 -8.297 -5.927 4.758 143 HA3 GLY 23 2HA GLY 23 -8.745 -4.959 6.155 144 H ASP 24 H ASP 24 -8.922 -2.529 5.630 145 HA ASP 24 HA ASP 24 -10.620 -2.309 3.254 146 HB2 ASP 24 1HB ASP 24 -11.476 -1.658 5.544 147 HB3 ASP 24 2HB ASP 24 -10.340 -0.312 5.502 148 H ASN 25 H ASN 25 -10.359 -0.686 1.721 149 HA ASN 25 HA ASN 25 -7.792 -0.040 0.936 150 HB2 ASN 25 1HB ASN 25 -8.989 1.848 -0.383 151 HB3 ASN 25 2HB ASN 25 -9.416 0.175 -0.729 152 HD21 ASN 25 1HD2 ASN 25 -10.442 3.162 0.702 153 HD22 ASN 25 2HD2 ASN 25 -12.109 2.743 0.876 154 H SER 26 H SER 26 -10.121 2.046 2.640 155 HA SER 26 HA SER 26 -8.833 4.392 2.859 156 HB2 SER 26 1HB SER 26 -10.221 2.901 5.096 157 HB3 SER 26 2HB SER 26 -9.781 4.607 5.172 158 HG SER 26 HG SER 26 -11.903 4.435 4.475 159 H SER 27 H SER 27 -8.293 1.752 5.200 160 HA SER 27 HA SER 27 -6.227 2.862 6.631 161 HB2 SER 27 1HB SER 27 -7.269 0.757 7.281 162 HB3 SER 27 2HB SER 27 -6.593 -0.045 5.864 163 HG SER 27 HG SER 27 -5.408 0.598 8.262 164 H CYS 28 H CYS 28 -5.825 0.623 3.881 165 HA CYS 28 HA CYS 28 -3.171 0.534 3.548 166 HB2 CYS 28 1HB CYS 28 -5.160 -0.233 1.984 167 HB3 CYS 28 2HB CYS 28 -4.735 1.226 1.097 168 HG CYS 28 HG CYS 28 -2.238 -0.930 1.857 169 H THR 29 H THR 29 -5.181 3.221 2.363 170 HA THR 29 HA THR 29 -3.393 4.820 1.126 171 HB THR 29 HB THR 29 -5.440 5.774 3.139 172 HG1 THR 29 HG1 THR 29 -5.946 4.437 1.073 173 HG21 THR 29 3HG2 THR 29 -5.366 7.768 1.419 174 HG22 THR 29 1HG2 THR 29 -3.726 7.184 1.146 175 HG23 THR 29 2HG2 THR 29 -4.224 7.689 2.760 176 H GLN 30 H GLN 30 -4.032 5.113 4.628 177 HA GLN 30 HA GLN 30 -2.121 6.887 5.354 178 HB2 GLN 30 1HB GLN 30 -2.995 4.387 6.798 179 HB3 GLN 30 2HB GLN 30 -1.955 5.600 7.532 180 HG2 GLN 30 1HG GLN 30 -4.749 6.051 6.507 181 HG3 GLN 30 2HG GLN 30 -4.271 5.898 8.197 182 HE21 GLN 30 1HE2 GLN 30 -5.010 8.040 5.823 183 HE22 GLN 30 2HE2 GLN 30 -4.226 9.447 6.446 184 H HIS 31 H HIS 31 -1.599 3.375 5.078 185 HA HIS 31 HA HIS 31 1.082 3.287 5.754 186 HB2 HIS 31 1HB HIS 31 -0.231 1.265 5.446 187 HB3 HIS 31 2HB HIS 31 -0.411 1.608 3.728 188 HD1 HIS 31 HD1 HIS 31 2.504 1.109 6.136 189 HD2 HIS 31 HD2 HIS 31 1.347 0.197 2.251 190 HE1 HIS 31 HE1 HIS 31 4.379 -0.269 5.182 191 H GLN 32 H GLN 32 -0.347 3.748 2.529 192 HA GLN 32 HA GLN 32 1.967 3.874 1.027 193 HB2 GLN 32 1HB GLN 32 -0.696 5.237 0.733 194 HB3 GLN 32 2HB GLN 32 0.593 5.506 -0.432 195 HG2 GLN 32 1HG GLN 32 -0.551 2.813 0.272 196 HG3 GLN 32 2HG GLN 32 -1.016 3.776 -1.129 197 HE21 GLN 32 1HE2 GLN 32 0.034 1.167 -1.242 198 HE22 GLN 32 2HE2 GLN 32 1.557 1.237 -2.054 199 H ARG 33 H ARG 33 0.624 6.231 3.205 200 HA ARG 33 HA ARG 33 2.283 8.395 2.279 201 HB2 ARG 33 1HB ARG 33 0.447 8.040 4.640 202 HB3 ARG 33 2HB ARG 33 1.442 9.477 4.445 203 HG2 ARG 33 1HG ARG 33 -0.346 8.601 2.222 204 HG3 ARG 33 2HG ARG 33 -1.014 9.469 3.606 205 HD2 ARG 33 1HD ARG 33 0.299 11.372 3.181 206 HD3 ARG 33 2HD ARG 33 1.369 10.490 2.092 207 HE ARG 33 HE ARG 33 -1.335 10.560 1.162 208 HH11 ARG 33 1HH1 ARG 33 1.647 12.350 1.319 209 HH12 ARG 33 2HH1 ARG 33 1.307 13.294 -0.093 210 HH21 ARG 33 1HH2 ARG 33 -1.794 11.797 -0.699 211 HH22 ARG 33 2HH2 ARG 33 -0.651 12.980 -1.239 212 H LEU 34 H LEU 34 2.136 6.509 5.304 213 HA LEU 34 HA LEU 34 4.276 7.466 6.657 214 HB2 LEU 34 1HB LEU 34 3.634 4.539 6.333 215 HB3 LEU 34 2HB LEU 34 4.559 5.262 7.648 216 HG LEU 34 HG LEU 34 1.696 6.016 7.141 217 HD11 LEU 34 1HD1 LEU 34 2.252 4.060 9.263 218 HD12 LEU 34 2HD1 LEU 34 2.370 3.443 7.615 219 HD13 LEU 34 3HD1 LEU 34 0.874 4.195 8.169 220 HD21 LEU 34 3HD2 LEU 34 3.669 6.950 8.873 221 HD22 LEU 34 1HD2 LEU 34 2.628 5.933 9.870 222 HD23 LEU 34 2HD2 LEU 34 1.937 7.275 8.957 223 H HIS 35 H HIS 35 4.353 5.628 3.717 224 HA HIS 35 HA HIS 35 7.093 4.859 3.844 225 HB2 HIS 35 1HB HIS 35 4.959 4.853 1.772 226 HB3 HIS 35 2HB HIS 35 6.627 4.778 1.212 227 HD1 HIS 35 HD1 HIS 35 7.510 2.997 3.773 228 HD2 HIS 35 HD2 HIS 35 4.481 2.194 1.045 229 HE1 HIS 35 HE1 HIS 35 7.163 0.508 3.867 230 H THR 36 H THR 36 5.359 7.579 2.399 231 HA THR 36 HA THR 36 7.699 8.714 1.197 232 HB THR 36 HB THR 36 5.398 9.119 0.330 233 HG1 THR 36 HG1 THR 36 5.803 11.581 0.339 234 HG21 THR 36 3HG2 THR 36 3.916 9.520 2.007 235 HG22 THR 36 1HG2 THR 36 4.357 11.193 1.669 236 HG23 THR 36 2HG2 THR 36 5.110 10.337 3.015 237 H GLY 37 H GLY 37 8.581 10.830 1.754 238 HA2 GLY 37 1HA GLY 37 9.133 11.002 4.569 239 HA3 GLY 37 2HA GLY 37 9.779 12.047 3.312 240 H GLN 38 H GLN 38 8.528 12.535 6.029 241 HA GLN 38 HA GLN 38 6.347 14.317 5.182 242 HB2 GLN 38 1HB GLN 38 5.887 12.559 6.940 243 HB3 GLN 38 2HB GLN 38 6.979 13.440 7.999 244 HG2 GLN 38 1HG GLN 38 5.527 15.435 7.746 245 HG3 GLN 38 2HG GLN 38 4.399 14.444 6.822 246 HE21 GLN 38 1HE2 GLN 38 4.079 12.208 8.082 247 HE22 GLN 38 2HE2 GLN 38 3.572 12.421 9.720 248 H ARG 39 H ARG 39 9.308 14.159 7.105 249 HA ARG 39 HA ARG 39 9.847 16.937 6.577 250 HB2 ARG 39 1HB ARG 39 8.438 17.292 8.471 251 HB3 ARG 39 2HB ARG 39 9.208 15.990 9.368 252 HG2 ARG 39 1HG ARG 39 11.350 17.477 9.066 253 HG3 ARG 39 2HG ARG 39 10.157 18.760 8.851 254 HD2 ARG 39 1HD ARG 39 10.568 18.804 11.136 255 HD3 ARG 39 2HD ARG 39 9.102 17.832 11.014 256 HE ARG 39 HE ARG 39 11.275 16.093 10.931 257 HH11 ARG 39 1HH1 ARG 39 9.791 18.322 13.155 258 HH12 ARG 39 2HH1 ARG 39 10.295 17.453 14.567 259 HH21 ARG 39 1HH2 ARG 39 11.944 14.939 12.781 260 HH22 ARG 39 2HH2 ARG 39 11.520 15.529 14.353 261 HA PRO 40 HA PRO 40 13.949 15.347 6.744 262 HB2 PRO 40 1HB PRO 40 15.305 17.688 6.975 263 HB3 PRO 40 2HB PRO 40 14.543 17.164 5.469 264 HG2 PRO 40 1HG PRO 40 13.544 19.098 7.524 265 HG3 PRO 40 2HG PRO 40 13.500 19.223 5.755 266 HD2 PRO 40 1HD PRO 40 11.346 18.478 7.217 267 HD3 PRO 40 2HD PRO 40 11.649 17.861 5.580 268 H SER 41 H SER 41 15.545 14.832 8.212 269 HA SER 41 HA SER 41 14.907 15.022 10.958 270 HB2 SER 41 1HB SER 41 17.433 14.161 9.537 271 HB3 SER 41 2HB SER 41 17.216 14.047 11.283 272 HG SER 41 HG SER 41 15.986 12.600 9.230 273 H GLY 42 H GLY 42 15.062 16.784 12.170 274 HA2 GLY 42 1HA GLY 42 17.406 18.149 12.718 275 HA3 GLY 42 2HA GLY 42 16.616 19.052 11.434 276 HA PRO 43 HA PRO 43 13.742 19.166 15.353 277 HB2 PRO 43 1HB PRO 43 14.979 18.579 17.697 278 HB3 PRO 43 2HB PRO 43 14.152 17.363 16.717 279 HG2 PRO 43 1HG PRO 43 17.074 17.991 16.888 280 HG3 PRO 43 2HG PRO 43 16.270 16.411 16.842 281 HD2 PRO 43 1HD PRO 43 17.431 17.520 14.661 282 HD3 PRO 43 2HD PRO 43 15.999 16.476 14.554 283 H SER 44 H SER 44 13.402 21.128 16.243 284 HA SER 44 HA SER 44 15.401 23.127 16.074 285 HB2 SER 44 1HB SER 44 12.607 23.050 17.182 286 HB3 SER 44 2HB SER 44 13.622 24.474 17.408 287 HG SER 44 HG SER 44 12.885 24.979 15.500 288 H SER 45 H SER 45 17.130 22.415 17.364 289 HA SER 45 HA SER 45 16.737 21.984 20.194 290 HB2 SER 45 1HB SER 45 19.059 21.446 20.281 291 HB3 SER 45 2HB SER 45 18.453 20.766 18.771 292 HG SER 45 HG SER 45 19.193 22.941 17.903 293 H GLY 46 H GLY 46 17.862 23.217 21.842 294 HA2 GLY 46 1HA GLY 46 19.277 25.373 22.005 295 HA3 GLY 46 2HA GLY 46 17.911 26.077 21.154 Start of MODEL 15 1 H1 GLY 1 H GLY 1 16.285 -27.769 -0.517 2 HA2 GLY 1 1HA GLY 1 18.041 -25.824 -1.702 3 HA3 GLY 1 2HA GLY 1 17.303 -26.889 -2.890 4 H SER 2 H SER 2 15.108 -26.731 -3.324 5 HA SER 2 HA SER 2 13.668 -24.547 -1.981 6 HB2 SER 2 1HB SER 2 14.696 -24.076 -4.372 7 HB3 SER 2 2HB SER 2 13.273 -24.963 -4.916 8 HG SER 2 HG SER 2 13.439 -22.508 -3.569 9 H SER 3 H SER 3 12.328 -25.879 -0.829 10 HA SER 3 HA SER 3 10.181 -27.117 -2.311 11 HB2 SER 3 1HB SER 3 12.182 -28.724 -0.757 12 HB3 SER 3 2HB SER 3 10.503 -29.258 -0.838 13 HG SER 3 HG SER 3 11.749 -28.536 -3.226 14 H GLY 4 H GLY 4 8.312 -26.828 -1.266 15 HA2 GLY 4 1HA GLY 4 7.215 -27.165 0.986 16 HA3 GLY 4 2HA GLY 4 8.457 -26.077 1.587 17 H SER 5 H SER 5 6.802 -24.680 2.358 18 HA SER 5 HA SER 5 5.910 -22.804 0.326 19 HB2 SER 5 1HB SER 5 3.579 -22.811 1.104 20 HB3 SER 5 2HB SER 5 4.038 -24.395 0.480 21 HG SER 5 HG SER 5 3.222 -23.693 2.969 22 H SER 6 H SER 6 6.594 -20.909 1.044 23 HA SER 6 HA SER 6 6.334 -20.315 3.919 24 HB2 SER 6 1HB SER 6 8.602 -19.677 2.035 25 HB3 SER 6 2HB SER 6 8.370 -18.803 3.549 26 HG SER 6 HG SER 6 8.687 -20.684 4.676 27 H GLY 7 H GLY 7 6.389 -17.894 4.341 28 HA2 GLY 7 1HA GLY 7 4.216 -16.625 3.296 29 HA3 GLY 7 2HA GLY 7 5.597 -15.762 3.956 30 H THR 8 H THR 8 3.777 -16.421 1.183 31 HA THR 8 HA THR 8 5.521 -14.715 -0.401 32 HB THR 8 HB THR 8 6.317 -16.992 -0.915 33 HG1 THR 8 HG1 THR 8 5.100 -15.333 -2.802 34 HG21 THR 8 3HG2 THR 8 4.928 -18.636 -1.930 35 HG22 THR 8 1HG2 THR 8 3.584 -17.506 -2.077 36 HG23 THR 8 2HG2 THR 8 4.080 -18.083 -0.486 37 H GLY 9 H GLY 9 4.291 -13.223 -1.334 38 HA2 GLY 9 1HA GLY 9 1.891 -13.875 -2.745 39 HA3 GLY 9 2HA GLY 9 1.547 -13.070 -1.222 40 H GLU 10 H GLU 10 1.408 -12.355 -4.225 41 HA GLU 10 HA GLU 10 2.651 -9.703 -3.913 42 HB2 GLU 10 1HB GLU 10 3.166 -9.667 -6.287 43 HB3 GLU 10 2HB GLU 10 3.919 -11.064 -5.530 44 HG2 GLU 10 1HG GLU 10 1.344 -11.128 -7.086 45 HG3 GLU 10 2HG GLU 10 2.928 -11.562 -7.727 46 H LYS 11 H LYS 11 0.053 -10.220 -3.130 47 HA LYS 11 HA LYS 11 -1.991 -9.934 -4.942 48 HB2 LYS 11 1HB LYS 11 -1.649 -8.900 -2.140 49 HB3 LYS 11 2HB LYS 11 -3.121 -8.581 -3.047 50 HG2 LYS 11 1HG LYS 11 -3.742 -10.812 -3.078 51 HG3 LYS 11 2HG LYS 11 -2.100 -11.375 -2.757 52 HD2 LYS 11 1HD LYS 11 -2.356 -10.173 -0.496 53 HD3 LYS 11 2HD LYS 11 -4.084 -10.165 -0.858 54 HE2 LYS 11 1HE LYS 11 -3.774 -12.107 0.403 55 HE3 LYS 11 2HE LYS 11 -3.815 -12.680 -1.264 56 HZ1 LYS 11 3HZ LYS 11 -1.475 -12.385 0.517 57 HZ2 LYS 11 1HZ LYS 11 -1.296 -12.491 -1.162 58 HZ3 LYS 11 2HZ LYS 11 -2.007 -13.764 -0.305 59 HA PRO 12 HA PRO 12 -1.470 -6.000 -6.847 60 HB2 PRO 12 1HB PRO 12 -4.038 -5.538 -7.597 61 HB3 PRO 12 2HB PRO 12 -2.999 -6.718 -8.404 62 HG2 PRO 12 1HG PRO 12 -5.106 -7.159 -6.324 63 HG3 PRO 12 2HG PRO 12 -4.775 -8.090 -7.797 64 HD2 PRO 12 1HD PRO 12 -3.951 -8.897 -5.347 65 HD3 PRO 12 2HD PRO 12 -3.033 -9.245 -6.826 66 H TYR 13 H TYR 13 -4.288 -6.296 -4.686 67 HA TYR 13 HA TYR 13 -4.268 -3.463 -4.113 68 HB2 TYR 13 1HB TYR 13 -6.058 -4.279 -2.384 69 HB3 TYR 13 2HB TYR 13 -6.440 -4.267 -4.102 70 HD1 TYR 13 HD1 TYR 13 -5.613 -6.401 -1.221 71 HD2 TYR 13 HD2 TYR 13 -6.785 -6.316 -5.311 72 HE1 TYR 13 HE1 TYR 13 -6.165 -8.795 -1.107 73 HE2 TYR 13 HE2 TYR 13 -7.341 -8.709 -5.207 74 HH TYR 13 HH TYR 13 -8.045 -10.349 -3.186 75 H LYS 14 H LYS 14 -1.831 -4.560 -3.449 76 HA LYS 14 HA LYS 14 -1.832 -4.186 -0.542 77 HB2 LYS 14 1HB LYS 14 -1.629 -6.676 -1.429 78 HB3 LYS 14 2HB LYS 14 0.045 -6.203 -1.692 79 HG2 LYS 14 1HG LYS 14 0.190 -5.546 0.688 80 HG3 LYS 14 2HG LYS 14 -1.452 -6.151 0.921 81 HD2 LYS 14 1HD LYS 14 -0.189 -7.968 1.576 82 HD3 LYS 14 2HD LYS 14 -0.490 -8.341 -0.123 83 HE2 LYS 14 1HE LYS 14 1.742 -7.072 -0.522 84 HE3 LYS 14 2HE LYS 14 2.018 -7.373 1.193 85 HZ1 LYS 14 3HZ LYS 14 1.162 -9.677 -0.337 86 HZ2 LYS 14 1HZ LYS 14 2.372 -9.544 0.839 87 HZ3 LYS 14 2HZ LYS 14 2.687 -9.075 -0.755 88 H CYS 15 H CYS 15 0.056 -3.265 0.303 89 HA CYS 15 HA CYS 15 1.332 -1.351 -1.229 90 HB2 CYS 15 1HB CYS 15 1.267 -1.386 1.255 91 HB3 CYS 15 2HB CYS 15 2.448 -2.691 1.243 92 H MET 16 H MET 16 2.591 -1.633 -2.942 93 HA MET 16 HA MET 16 4.251 -4.025 -3.151 94 HB2 MET 16 1HB MET 16 3.624 -1.860 -5.166 95 HB3 MET 16 2HB MET 16 4.611 -3.279 -5.491 96 HG2 MET 16 1HG MET 16 2.779 -4.733 -5.288 97 HG3 MET 16 2HG MET 16 1.778 -3.493 -4.535 98 HE1 MET 16 3HE MET 16 0.237 -4.726 -6.069 99 HE2 MET 16 1HE MET 16 -0.317 -3.878 -7.514 100 HE3 MET 16 2HE MET 16 0.826 -5.214 -7.660 101 H GLU 17 H GLU 17 4.680 -1.308 -1.601 102 HA GLU 17 HA GLU 17 7.291 -0.580 -2.679 103 HB2 GLU 17 1HB GLU 17 5.682 0.596 -0.406 104 HB3 GLU 17 2HB GLU 17 7.231 1.213 -0.963 105 HG2 GLU 17 1HG GLU 17 5.438 2.545 -1.862 106 HG3 GLU 17 2HG GLU 17 6.248 1.671 -3.161 107 H CYS 18 H CYS 18 5.836 -2.087 0.141 108 HA CYS 18 HA CYS 18 8.522 -2.935 0.990 109 HB2 CYS 18 1HB CYS 18 7.892 -2.665 3.330 110 HB3 CYS 18 2HB CYS 18 7.731 -1.132 2.479 111 H GLY 19 H GLY 19 5.030 -3.537 1.218 112 HA2 GLY 19 1HA GLY 19 4.194 -5.731 0.596 113 HA3 GLY 19 2HA GLY 19 5.646 -6.422 1.306 114 H LYS 20 H LYS 20 2.856 -4.407 2.227 115 HA LYS 20 HA LYS 20 2.921 -5.647 4.887 116 HB2 LYS 20 1HB LYS 20 1.762 -3.092 3.822 117 HB3 LYS 20 2HB LYS 20 1.155 -3.781 5.322 118 HG2 LYS 20 1HG LYS 20 4.068 -3.211 4.863 119 HG3 LYS 20 2HG LYS 20 2.951 -2.021 5.534 120 HD2 LYS 20 1HD LYS 20 3.086 -4.745 6.748 121 HD3 LYS 20 2HD LYS 20 4.356 -3.574 7.113 122 HE2 LYS 20 1HE LYS 20 2.884 -3.103 8.798 123 HE3 LYS 20 2HE LYS 20 2.297 -1.993 7.560 124 HZ1 LYS 20 3HZ LYS 20 1.159 -4.687 7.633 125 HZ2 LYS 20 1HZ LYS 20 0.432 -3.219 7.209 126 HZ3 LYS 20 2HZ LYS 20 0.683 -3.600 8.838 127 H ALA 21 H ALA 21 0.428 -5.502 5.777 128 HA ALA 21 HA ALA 21 -1.339 -6.742 3.801 129 HB1 ALA 21 3HB ALA 21 -1.182 -8.055 6.464 130 HB2 ALA 21 1HB ALA 21 -1.624 -8.728 4.895 131 HB3 ALA 21 2HB ALA 21 0.069 -8.413 5.274 132 H PHE 22 H PHE 22 -3.218 -5.719 3.870 133 HA PHE 22 HA PHE 22 -4.294 -4.890 6.472 134 HB2 PHE 22 1HB PHE 22 -4.461 -3.144 4.015 135 HB3 PHE 22 2HB PHE 22 -4.926 -2.731 5.662 136 HD1 PHE 22 HD2 PHE 22 -3.205 -2.313 7.367 137 HD2 PHE 22 HD1 PHE 22 -2.202 -2.992 3.287 138 HE1 PHE 22 HE2 PHE 22 -0.964 -1.378 7.766 139 HE2 PHE 22 HE1 PHE 22 0.041 -2.059 3.680 140 HZ PHE 22 HZ PHE 22 0.662 -1.250 5.921 141 H GLY 23 H GLY 23 -6.653 -4.357 6.341 142 HA2 GLY 23 1HA GLY 23 -7.969 -6.407 4.745 143 HA3 GLY 23 2HA GLY 23 -8.691 -5.477 6.050 144 H ASP 24 H ASP 24 -8.623 -2.966 5.428 145 HA ASP 24 HA ASP 24 -10.086 -2.810 2.894 146 HB2 ASP 24 1HB ASP 24 -10.120 -1.237 5.433 147 HB3 ASP 24 2HB ASP 24 -10.590 -0.429 3.940 148 H ASN 25 H ASN 25 -9.556 -1.378 1.278 149 HA ASN 25 HA ASN 25 -6.847 -0.750 0.920 150 HB2 ASN 25 1HB ASN 25 -9.380 -0.116 -0.508 151 HB3 ASN 25 2HB ASN 25 -7.971 0.871 -0.886 152 HD21 ASN 25 1HD2 ASN 25 -9.136 -2.447 -0.708 153 HD22 ASN 25 2HD2 ASN 25 -8.083 -3.073 -1.926 154 H SER 26 H SER 26 -9.587 1.243 1.936 155 HA SER 26 HA SER 26 -8.680 3.765 1.892 156 HB2 SER 26 1HB SER 26 -10.825 3.112 2.914 157 HB3 SER 26 2HB SER 26 -9.963 2.483 4.318 158 HG SER 26 HG SER 26 -10.574 5.075 3.640 159 H SER 27 H SER 27 -7.743 1.372 4.342 160 HA SER 27 HA SER 27 -6.033 3.089 5.794 161 HB2 SER 27 1HB SER 27 -6.858 1.058 6.816 162 HB3 SER 27 2HB SER 27 -6.087 0.071 5.575 163 HG SER 27 HG SER 27 -4.472 1.810 7.041 164 H CYS 28 H CYS 28 -5.306 0.569 3.381 165 HA CYS 28 HA CYS 28 -2.588 0.737 3.255 166 HB2 CYS 28 1HB CYS 28 -4.220 -0.716 1.880 167 HB3 CYS 28 2HB CYS 28 -4.218 0.614 0.728 168 HG CYS 28 HG CYS 28 -1.789 -1.621 1.423 169 H THR 29 H THR 29 -4.805 2.676 1.240 170 HA THR 29 HA THR 29 -3.016 4.262 -0.075 171 HB THR 29 HB THR 29 -4.794 6.094 0.058 172 HG1 THR 29 HG1 THR 29 -5.828 4.175 1.807 173 HG21 THR 29 3HG2 THR 29 -6.096 5.056 -1.570 174 HG22 THR 29 1HG2 THR 29 -5.972 3.474 -0.802 175 HG23 THR 29 2HG2 THR 29 -4.583 4.155 -1.648 176 H GLN 30 H GLN 30 -4.063 4.545 3.266 177 HA GLN 30 HA GLN 30 -2.716 7.058 3.680 178 HB2 GLN 30 1HB GLN 30 -3.941 5.120 5.650 179 HB3 GLN 30 2HB GLN 30 -3.333 6.719 6.055 180 HG2 GLN 30 1HG GLN 30 -5.712 6.002 4.378 181 HG3 GLN 30 2HG GLN 30 -5.661 6.938 5.871 182 HE21 GLN 30 1HE2 GLN 30 -5.777 9.050 5.657 183 HE22 GLN 30 2HE2 GLN 30 -5.378 9.955 4.241 184 H HIS 31 H HIS 31 -2.046 3.660 4.201 185 HA HIS 31 HA HIS 31 0.106 3.814 5.947 186 HB2 HIS 31 1HB HIS 31 -0.679 1.652 5.504 187 HB3 HIS 31 2HB HIS 31 -0.612 1.884 3.759 188 HD1 HIS 31 HD1 HIS 31 1.384 0.739 6.644 189 HD2 HIS 31 HD2 HIS 31 2.015 1.669 2.644 190 HE1 HIS 31 HE1 HIS 31 3.643 -0.213 6.080 191 H GLN 32 H GLN 32 -0.036 4.397 2.492 192 HA GLN 32 HA GLN 32 2.630 4.322 1.798 193 HB2 GLN 32 1HB GLN 32 2.073 5.576 -0.087 194 HB3 GLN 32 2HB GLN 32 0.549 4.819 0.352 195 HG2 GLN 32 1HG GLN 32 -0.141 6.955 -0.037 196 HG3 GLN 32 2HG GLN 32 0.184 7.033 1.694 197 HE21 GLN 32 1HE2 GLN 32 0.668 9.165 1.827 198 HE22 GLN 32 2HE2 GLN 32 2.036 9.893 1.064 199 H ARG 33 H ARG 33 1.090 6.436 3.978 200 HA ARG 33 HA ARG 33 2.805 8.688 3.716 201 HB2 ARG 33 1HB ARG 33 0.959 7.735 5.897 202 HB3 ARG 33 2HB ARG 33 1.940 9.183 6.079 203 HG2 ARG 33 1HG ARG 33 0.130 8.844 3.721 204 HG3 ARG 33 2HG ARG 33 -0.487 9.422 5.271 205 HD2 ARG 33 1HD ARG 33 1.784 10.668 3.726 206 HD3 ARG 33 2HD ARG 33 0.122 11.258 3.740 207 HE ARG 33 HE ARG 33 1.099 11.064 6.380 208 HH11 ARG 33 1HH1 ARG 33 1.431 12.976 3.490 209 HH12 ARG 33 2HH1 ARG 33 1.876 14.419 4.339 210 HH21 ARG 33 1HH2 ARG 33 1.683 12.958 7.509 211 HH22 ARG 33 2HH2 ARG 33 2.019 14.408 6.625 212 H LEU 34 H LEU 34 2.929 5.718 5.576 213 HA LEU 34 HA LEU 34 5.019 6.465 7.326 214 HB2 LEU 34 1HB LEU 34 4.215 3.733 6.338 215 HB3 LEU 34 2HB LEU 34 5.291 4.049 7.697 216 HG LEU 34 HG LEU 34 2.409 4.926 7.612 217 HD11 LEU 34 1HD1 LEU 34 1.732 2.908 8.247 218 HD12 LEU 34 2HD1 LEU 34 3.024 2.773 9.439 219 HD13 LEU 34 3HD1 LEU 34 3.319 2.309 7.763 220 HD21 LEU 34 3HD2 LEU 34 4.637 5.326 9.432 221 HD22 LEU 34 1HD2 LEU 34 3.238 4.600 10.224 222 HD23 LEU 34 2HD2 LEU 34 3.069 6.132 9.366 223 H HIS 35 H HIS 35 4.958 5.394 4.030 224 HA HIS 35 HA HIS 35 7.664 4.533 3.864 225 HB2 HIS 35 1HB HIS 35 5.484 5.138 1.934 226 HB3 HIS 35 2HB HIS 35 7.132 5.162 1.316 227 HD1 HIS 35 HD1 HIS 35 8.356 2.920 1.117 228 HD2 HIS 35 HD2 HIS 35 4.545 2.603 2.741 229 HE1 HIS 35 HE1 HIS 35 7.831 0.461 1.125 230 H THR 36 H THR 36 6.112 7.619 3.789 231 HA THR 36 HA THR 36 7.719 9.250 2.339 232 HB THR 36 HB THR 36 5.752 9.836 3.948 233 HG1 THR 36 HG1 THR 36 6.635 11.395 2.604 234 HG21 THR 36 3HG2 THR 36 6.963 9.185 6.006 235 HG22 THR 36 1HG2 THR 36 6.428 10.864 6.038 236 HG23 THR 36 2HG2 THR 36 8.118 10.484 5.710 237 H GLY 37 H GLY 37 9.710 10.200 2.497 238 HA2 GLY 37 1HA GLY 37 11.754 10.772 3.484 239 HA3 GLY 37 2HA GLY 37 11.321 9.806 4.888 240 H GLN 38 H GLN 38 13.404 8.864 4.890 241 HA GLN 38 HA GLN 38 14.073 7.158 2.609 242 HB2 GLN 38 1HB GLN 38 16.268 6.952 3.595 243 HB3 GLN 38 2HB GLN 38 15.817 8.651 3.552 244 HG2 GLN 38 1HG GLN 38 15.611 8.801 5.826 245 HG3 GLN 38 2HG GLN 38 15.264 7.083 6.017 246 HE21 GLN 38 1HE2 GLN 38 17.685 9.509 5.888 247 HE22 GLN 38 2HE2 GLN 38 19.039 8.491 6.229 248 H ARG 39 H ARG 39 15.216 5.023 3.364 249 HA ARG 39 HA ARG 39 13.207 3.557 4.857 250 HB2 ARG 39 1HB ARG 39 15.597 2.748 3.216 251 HB3 ARG 39 2HB ARG 39 14.724 1.585 4.204 252 HG2 ARG 39 1HG ARG 39 12.860 1.642 2.874 253 HG3 ARG 39 2HG ARG 39 13.196 3.273 2.290 254 HD2 ARG 39 1HD ARG 39 13.544 1.657 0.516 255 HD3 ARG 39 2HD ARG 39 15.076 2.400 0.975 256 HE ARG 39 HE ARG 39 14.727 0.024 2.435 257 HH11 ARG 39 1HH1 ARG 39 15.349 1.118 -0.811 258 HH12 ARG 39 2HH1 ARG 39 16.219 -0.310 -1.265 259 HH21 ARG 39 1HH2 ARG 39 15.870 -1.861 1.849 260 HH22 ARG 39 2HH2 ARG 39 16.514 -2.004 0.249 261 HA PRO 40 HA PRO 40 15.395 3.464 8.675 262 HB2 PRO 40 1HB PRO 40 14.331 1.201 9.730 263 HB3 PRO 40 2HB PRO 40 13.433 2.718 9.609 264 HG2 PRO 40 1HG PRO 40 13.344 0.316 7.824 265 HG3 PRO 40 2HG PRO 40 12.006 1.307 8.434 266 HD2 PRO 40 1HD PRO 40 13.001 1.584 5.931 267 HD3 PRO 40 2HD PRO 40 12.334 2.949 6.849 268 H SER 41 H SER 41 15.815 1.187 6.216 269 HA SER 41 HA SER 41 17.199 -0.922 7.159 270 HB2 SER 41 1HB SER 41 17.752 0.818 4.766 271 HB3 SER 41 2HB SER 41 18.745 -0.598 5.109 272 HG SER 41 HG SER 41 16.006 -0.464 4.463 273 H GLY 42 H GLY 42 18.822 2.158 6.352 274 HA2 GLY 42 1HA GLY 42 20.221 3.016 8.297 275 HA3 GLY 42 2HA GLY 42 20.940 1.413 8.267 276 HA PRO 43 HA PRO 43 23.798 2.497 5.119 277 HB2 PRO 43 1HB PRO 43 23.450 0.720 3.097 278 HB3 PRO 43 2HB PRO 43 24.158 0.276 4.654 279 HG2 PRO 43 1HG PRO 43 21.357 -0.106 3.669 280 HG3 PRO 43 2HG PRO 43 22.391 -1.233 4.568 281 HD2 PRO 43 1HD PRO 43 20.447 0.227 5.760 282 HD3 PRO 43 2HD PRO 43 21.951 -0.221 6.591 283 H SER 44 H SER 44 23.805 4.235 3.851 284 HA SER 44 HA SER 44 21.855 4.426 1.670 285 HB2 SER 44 1HB SER 44 21.208 5.774 3.798 286 HB3 SER 44 2HB SER 44 22.507 6.862 3.308 287 HG SER 44 HG SER 44 21.416 7.373 1.493 288 H SER 45 H SER 45 22.518 5.701 -0.099 289 HA SER 45 HA SER 45 24.017 6.464 -1.632 290 HB2 SER 45 1HB SER 45 25.118 7.588 0.927 291 HB3 SER 45 2HB SER 45 25.988 7.816 -0.590 292 HG SER 45 HG SER 45 24.280 9.425 0.147 293 H GLY 46 H GLY 46 24.285 3.790 -0.932 294 HA2 GLY 46 1HA GLY 46 27.076 3.370 -1.628 295 HA3 GLY 46 2HA GLY 46 26.565 2.672 -0.098 Start of MODEL 16 1 H1 GLY 1 H GLY 1 0.930 -26.027 -14.019 2 HA2 GLY 1 1HA GLY 1 -0.855 -26.182 -11.689 3 HA3 GLY 1 2HA GLY 1 0.711 -26.977 -11.615 4 H SER 2 H SER 2 -0.414 -24.747 -10.028 5 HA SER 2 HA SER 2 1.003 -22.379 -10.815 6 HB2 SER 2 1HB SER 2 -0.616 -23.182 -8.418 7 HB3 SER 2 2HB SER 2 0.364 -21.716 -8.368 8 HG SER 2 HG SER 2 -2.010 -21.839 -9.277 9 H SER 3 H SER 3 1.369 -24.704 -8.140 10 HA SER 3 HA SER 3 3.169 -25.318 -6.891 11 HB2 SER 3 1HB SER 3 4.415 -24.476 -9.470 12 HB3 SER 3 2HB SER 3 5.473 -24.760 -8.088 13 HG SER 3 HG SER 3 4.150 -26.547 -9.655 14 H GLY 4 H GLY 4 1.992 -22.883 -6.254 15 HA2 GLY 4 1HA GLY 4 4.318 -21.222 -5.506 16 HA3 GLY 4 2HA GLY 4 2.701 -20.586 -5.765 17 H SER 5 H SER 5 4.776 -22.371 -3.594 18 HA SER 5 HA SER 5 2.701 -22.242 -1.513 19 HB2 SER 5 1HB SER 5 5.026 -24.061 -1.990 20 HB3 SER 5 2HB SER 5 4.488 -23.794 -0.332 21 HG SER 5 HG SER 5 2.454 -24.551 -0.906 22 H SER 6 H SER 6 3.965 -19.867 -2.157 23 HA SER 6 HA SER 6 5.792 -19.453 0.118 24 HB2 SER 6 1HB SER 6 5.572 -17.742 -2.368 25 HB3 SER 6 2HB SER 6 6.786 -17.615 -1.095 26 HG SER 6 HG SER 6 7.882 -18.918 -2.325 27 H GLY 7 H GLY 7 3.214 -17.906 -1.787 28 HA2 GLY 7 1HA GLY 7 2.645 -16.165 0.520 29 HA3 GLY 7 2HA GLY 7 2.155 -15.846 -1.137 30 H THR 8 H THR 8 1.073 -18.346 -1.788 31 HA THR 8 HA THR 8 -1.035 -19.249 -1.821 32 HB THR 8 HB THR 8 -1.673 -20.354 0.344 33 HG1 THR 8 HG1 THR 8 0.790 -19.243 1.256 34 HG21 THR 8 3HG2 THR 8 0.586 -21.676 0.453 35 HG22 THR 8 1HG2 THR 8 0.993 -20.703 -0.960 36 HG23 THR 8 2HG2 THR 8 -0.420 -21.758 -0.993 37 H GLY 9 H GLY 9 -1.126 -16.436 -1.628 38 HA2 GLY 9 1HA GLY 9 -3.566 -16.102 0.005 39 HA3 GLY 9 2HA GLY 9 -2.340 -14.848 -0.100 40 H GLU 10 H GLU 10 -5.157 -14.680 -0.787 41 HA GLU 10 HA GLU 10 -5.037 -14.325 -3.700 42 HB2 GLU 10 1HB GLU 10 -6.927 -15.611 -2.364 43 HB3 GLU 10 2HB GLU 10 -7.567 -13.987 -2.153 44 HG2 GLU 10 1HG GLU 10 -7.316 -13.781 -4.700 45 HG3 GLU 10 2HG GLU 10 -7.175 -15.538 -4.680 46 H LYS 11 H LYS 11 -3.655 -12.489 -2.084 47 HA LYS 11 HA LYS 11 -5.343 -10.083 -2.223 48 HB2 LYS 11 1HB LYS 11 -2.961 -10.809 -0.549 49 HB3 LYS 11 2HB LYS 11 -3.363 -9.120 -0.830 50 HG2 LYS 11 1HG LYS 11 -5.448 -11.005 0.179 51 HG3 LYS 11 2HG LYS 11 -4.254 -10.319 1.284 52 HD2 LYS 11 1HD LYS 11 -4.934 -8.052 0.273 53 HD3 LYS 11 2HD LYS 11 -6.348 -8.911 -0.341 54 HE2 LYS 11 1HE LYS 11 -7.060 -8.022 1.699 55 HE3 LYS 11 2HE LYS 11 -6.680 -9.703 2.071 56 HZ1 LYS 11 3HZ LYS 11 -4.361 -8.176 2.426 57 HZ2 LYS 11 1HZ LYS 11 -5.260 -9.004 3.597 58 HZ3 LYS 11 2HZ LYS 11 -5.622 -7.391 3.237 59 HA PRO 12 HA PRO 12 -2.400 -9.749 -5.790 60 HB2 PRO 12 1HB PRO 12 -4.257 -8.801 -7.529 61 HB3 PRO 12 2HB PRO 12 -3.989 -10.527 -7.256 62 HG2 PRO 12 1HG PRO 12 -6.101 -8.735 -6.121 63 HG3 PRO 12 2HG PRO 12 -6.255 -10.384 -6.755 64 HD2 PRO 12 1HD PRO 12 -6.133 -9.848 -4.103 65 HD3 PRO 12 2HD PRO 12 -5.477 -11.340 -4.807 66 H TYR 13 H TYR 13 -3.980 -7.742 -3.712 67 HA TYR 13 HA TYR 13 -2.792 -5.355 -4.958 68 HB2 TYR 13 1HB TYR 13 -4.794 -4.200 -3.624 69 HB3 TYR 13 2HB TYR 13 -4.976 -4.762 -5.282 70 HD1 TYR 13 HD1 TYR 13 -5.660 -5.611 -1.747 71 HD2 TYR 13 HD2 TYR 13 -6.487 -6.508 -5.823 72 HE1 TYR 13 HE1 TYR 13 -7.525 -7.053 -1.045 73 HE2 TYR 13 HE2 TYR 13 -8.355 -7.952 -5.133 74 HH TYR 13 HH TYR 13 -9.189 -9.122 -3.281 75 H LYS 14 H LYS 14 -0.975 -5.864 -3.573 76 HA LYS 14 HA LYS 14 -1.381 -4.834 -0.852 77 HB2 LYS 14 1HB LYS 14 0.030 -6.500 0.112 78 HB3 LYS 14 2HB LYS 14 -1.174 -7.341 -0.856 79 HG2 LYS 14 1HG LYS 14 0.447 -7.638 -2.644 80 HG3 LYS 14 2HG LYS 14 1.655 -6.754 -1.709 81 HD2 LYS 14 1HD LYS 14 0.328 -9.128 -0.484 82 HD3 LYS 14 2HD LYS 14 1.591 -9.382 -1.691 83 HE2 LYS 14 1HE LYS 14 2.906 -7.651 -0.227 84 HE3 LYS 14 2HE LYS 14 1.770 -8.153 1.024 85 HZ1 LYS 14 3HZ LYS 14 3.285 -10.152 -0.530 86 HZ2 LYS 14 1HZ LYS 14 2.566 -10.314 0.993 87 HZ3 LYS 14 2HZ LYS 14 3.977 -9.399 0.818 88 H CYS 15 H CYS 15 0.567 -3.951 0.128 89 HA CYS 15 HA CYS 15 1.986 -2.271 -1.632 90 HB2 CYS 15 1HB CYS 15 1.565 -1.696 0.721 91 HB3 CYS 15 2HB CYS 15 2.627 -3.004 1.233 92 H MET 16 H MET 16 3.894 -2.469 -2.649 93 HA MET 16 HA MET 16 5.269 -5.043 -2.434 94 HB2 MET 16 1HB MET 16 6.349 -4.426 -4.546 95 HB3 MET 16 2HB MET 16 4.597 -4.330 -4.674 96 HG2 MET 16 1HG MET 16 4.803 -1.865 -4.261 97 HG3 MET 16 2HG MET 16 6.547 -2.060 -4.420 98 HE1 MET 16 3HE MET 16 5.067 -0.248 -7.617 99 HE2 MET 16 1HE MET 16 5.216 -0.039 -5.872 100 HE3 MET 16 2HE MET 16 6.656 -0.309 -6.854 101 H GLU 17 H GLU 17 5.771 -1.606 -1.984 102 HA GLU 17 HA GLU 17 8.479 -1.345 -1.867 103 HB2 GLU 17 1HB GLU 17 6.493 0.307 -1.267 104 HB3 GLU 17 2HB GLU 17 6.917 -0.151 0.377 105 HG2 GLU 17 1HG GLU 17 8.000 1.940 -0.571 106 HG3 GLU 17 2HG GLU 17 9.057 0.764 0.208 107 H CYS 18 H CYS 18 6.589 -1.909 1.102 108 HA CYS 18 HA CYS 18 8.934 -3.135 2.325 109 HB2 CYS 18 1HB CYS 18 7.677 -2.991 4.418 110 HB3 CYS 18 2HB CYS 18 7.692 -1.434 3.597 111 H GLY 19 H GLY 19 5.542 -3.923 1.626 112 HA2 GLY 19 1HA GLY 19 5.032 -6.136 0.757 113 HA3 GLY 19 2HA GLY 19 6.283 -6.774 1.812 114 H LYS 20 H LYS 20 3.231 -4.945 1.994 115 HA LYS 20 HA LYS 20 2.356 -6.736 4.132 116 HB2 LYS 20 1HB LYS 20 2.683 -3.763 4.357 117 HB3 LYS 20 2HB LYS 20 1.423 -4.580 5.273 118 HG2 LYS 20 1HG LYS 20 2.934 -5.725 6.589 119 HG3 LYS 20 2HG LYS 20 4.238 -5.566 5.409 120 HD2 LYS 20 1HD LYS 20 4.076 -3.042 5.881 121 HD3 LYS 20 2HD LYS 20 3.160 -3.513 7.315 122 HE2 LYS 20 1HE LYS 20 5.190 -5.129 7.696 123 HE3 LYS 20 2HE LYS 20 6.030 -3.987 6.647 124 HZ1 LYS 20 3HZ LYS 20 6.189 -2.540 8.303 125 HZ2 LYS 20 1HZ LYS 20 5.616 -3.739 9.351 126 HZ3 LYS 20 2HZ LYS 20 4.537 -2.637 8.656 127 H ALA 21 H ALA 21 0.299 -7.341 3.882 128 HA ALA 21 HA ALA 21 -1.280 -6.032 1.800 129 HB1 ALA 21 3HB ALA 21 -0.861 -8.694 2.433 130 HB2 ALA 21 1HB ALA 21 -2.498 -8.370 3.005 131 HB3 ALA 21 2HB ALA 21 -2.073 -8.057 1.321 132 H PHE 22 H PHE 22 -3.378 -5.283 2.130 133 HA PHE 22 HA PHE 22 -4.357 -5.173 4.887 134 HB2 PHE 22 1HB PHE 22 -4.257 -2.723 3.123 135 HB3 PHE 22 2HB PHE 22 -4.740 -2.805 4.814 136 HD1 PHE 22 HD2 PHE 22 -3.072 -3.072 6.573 137 HD2 PHE 22 HD1 PHE 22 -1.948 -2.698 2.485 138 HE1 PHE 22 HE2 PHE 22 -0.760 -2.584 7.257 139 HE2 PHE 22 HE1 PHE 22 0.366 -2.209 3.163 140 HZ PHE 22 HZ PHE 22 0.963 -2.150 5.551 141 H GLY 23 H GLY 23 -6.576 -5.095 5.096 142 HA2 GLY 23 1HA GLY 23 -8.063 -5.506 2.583 143 HA3 GLY 23 2HA GLY 23 -8.532 -6.151 4.149 144 H ASP 24 H ASP 24 -7.464 -2.855 3.505 145 HA ASP 24 HA ASP 24 -10.143 -1.800 3.513 146 HB2 ASP 24 1HB ASP 24 -8.347 -1.064 5.828 147 HB3 ASP 24 2HB ASP 24 -10.015 -0.562 5.566 148 H ASN 25 H ASN 25 -10.150 -0.079 2.231 149 HA ASN 25 HA ASN 25 -7.824 0.981 1.078 150 HB2 ASN 25 1HB ASN 25 -10.644 2.061 1.203 151 HB3 ASN 25 2HB ASN 25 -9.366 2.790 0.235 152 HD21 ASN 25 1HD2 ASN 25 -9.553 2.279 -1.811 153 HD22 ASN 25 2HD2 ASN 25 -10.047 0.749 -2.443 154 H SER 26 H SER 26 -9.890 2.193 3.687 155 HA SER 26 HA SER 26 -8.736 4.685 4.067 156 HB2 SER 26 1HB SER 26 -10.796 3.801 5.212 157 HB3 SER 26 2HB SER 26 -9.737 2.883 6.282 158 HG SER 26 HG SER 26 -9.303 5.634 5.984 159 H SER 27 H SER 27 -7.702 1.526 5.244 160 HA SER 27 HA SER 27 -5.583 2.569 6.865 161 HB2 SER 27 1HB SER 27 -6.682 0.387 7.322 162 HB3 SER 27 2HB SER 27 -5.979 -0.251 5.836 163 HG SER 27 HG SER 27 -3.938 0.025 6.717 164 H CYS 28 H CYS 28 -5.690 0.837 3.756 165 HA CYS 28 HA CYS 28 -2.985 0.802 3.190 166 HB2 CYS 28 1HB CYS 28 -4.855 -0.304 1.885 167 HB3 CYS 28 2HB CYS 28 -5.134 1.255 1.119 168 HG CYS 28 HG CYS 28 -2.469 1.356 0.083 169 H THR 29 H THR 29 -5.345 3.366 2.594 170 HA THR 29 HA THR 29 -3.767 5.090 1.087 171 HB THR 29 HB THR 29 -5.201 6.929 2.201 172 HG1 THR 29 HG1 THR 29 -5.676 5.261 3.982 173 HG21 THR 29 3HG2 THR 29 -6.770 4.723 0.889 174 HG22 THR 29 1HG2 THR 29 -5.610 5.706 -0.004 175 HG23 THR 29 2HG2 THR 29 -7.007 6.466 0.760 176 H GLN 30 H GLN 30 -3.969 4.671 4.585 177 HA GLN 30 HA GLN 30 -2.201 6.866 5.147 178 HB2 GLN 30 1HB GLN 30 -3.613 6.516 6.930 179 HB3 GLN 30 2HB GLN 30 -3.584 4.767 6.748 180 HG2 GLN 30 1HG GLN 30 -1.656 4.531 7.958 181 HG3 GLN 30 2HG GLN 30 -1.095 6.160 7.587 182 HE21 GLN 30 1HE2 GLN 30 -0.664 6.021 9.961 183 HE22 GLN 30 2HE2 GLN 30 -1.925 6.532 11.026 184 H HIS 31 H HIS 31 -1.932 3.335 5.082 185 HA HIS 31 HA HIS 31 0.622 3.002 6.057 186 HB2 HIS 31 1HB HIS 31 -0.782 1.101 5.535 187 HB3 HIS 31 2HB HIS 31 -0.755 1.504 3.820 188 HD1 HIS 31 HD1 HIS 31 1.530 0.252 6.558 189 HD2 HIS 31 HD2 HIS 31 1.346 0.447 2.413 190 HE1 HIS 31 HE1 HIS 31 3.459 -1.135 5.734 191 H GLN 32 H GLN 32 -0.385 4.336 3.018 192 HA GLN 32 HA GLN 32 2.289 4.204 1.886 193 HB2 GLN 32 1HB GLN 32 -0.411 4.961 0.888 194 HB3 GLN 32 2HB GLN 32 0.983 5.681 0.094 195 HG2 GLN 32 1HG GLN 32 1.852 3.516 -0.468 196 HG3 GLN 32 2HG GLN 32 0.581 2.723 0.462 197 HE21 GLN 32 1HE2 GLN 32 1.131 4.860 -2.293 198 HE22 GLN 32 2HE2 GLN 32 -0.241 4.336 -3.203 199 H ARG 33 H ARG 33 0.041 6.601 3.169 200 HA ARG 33 HA ARG 33 1.179 8.972 2.521 201 HB2 ARG 33 1HB ARG 33 -0.772 8.328 4.195 202 HB3 ARG 33 2HB ARG 33 0.485 8.585 5.397 203 HG2 ARG 33 1HG ARG 33 -0.491 10.659 5.286 204 HG3 ARG 33 2HG ARG 33 0.847 10.836 4.149 205 HD2 ARG 33 1HD ARG 33 -0.872 10.071 2.376 206 HD3 ARG 33 2HD ARG 33 -2.076 10.495 3.593 207 HE ARG 33 HE ARG 33 -0.462 12.691 3.430 208 HH11 ARG 33 1HH1 ARG 33 -2.345 10.839 1.162 209 HH12 ARG 33 2HH1 ARG 33 -2.665 12.190 0.125 210 HH21 ARG 33 1HH2 ARG 33 -0.875 14.477 2.073 211 HH22 ARG 33 2HH2 ARG 33 -1.827 14.258 0.643 212 H LEU 34 H LEU 34 2.463 6.582 4.719 213 HA LEU 34 HA LEU 34 4.571 8.339 5.657 214 HB2 LEU 34 1HB LEU 34 5.089 6.715 7.199 215 HB3 LEU 34 2HB LEU 34 3.359 6.464 6.973 216 HG LEU 34 HG LEU 34 4.227 4.696 5.195 217 HD11 LEU 34 1HD1 LEU 34 6.591 5.251 5.526 218 HD12 LEU 34 2HD1 LEU 34 6.242 3.578 5.960 219 HD13 LEU 34 3HD1 LEU 34 6.456 4.790 7.223 220 HD21 LEU 34 3HD2 LEU 34 3.688 4.552 8.099 221 HD22 LEU 34 1HD2 LEU 34 4.411 3.126 7.353 222 HD23 LEU 34 2HD2 LEU 34 2.877 3.755 6.750 223 H HIS 35 H HIS 35 4.149 5.667 3.420 224 HA HIS 35 HA HIS 35 6.878 5.154 2.920 225 HB2 HIS 35 1HB HIS 35 4.306 4.522 1.564 226 HB3 HIS 35 2HB HIS 35 5.778 4.380 0.608 227 HD1 HIS 35 HD1 HIS 35 7.474 3.352 3.168 228 HD2 HIS 35 HD2 HIS 35 3.953 1.750 1.652 229 HE1 HIS 35 HE1 HIS 35 7.438 0.959 3.938 230 H THR 36 H THR 36 4.641 7.527 1.673 231 HA THR 36 HA THR 36 6.480 8.380 -0.410 232 HB THR 36 HB THR 36 4.071 8.388 -0.889 233 HG1 THR 36 HG1 THR 36 5.549 10.788 -0.908 234 HG21 THR 36 3HG2 THR 36 3.712 10.734 0.931 235 HG22 THR 36 1HG2 THR 36 3.559 9.099 1.572 236 HG23 THR 36 2HG2 THR 36 2.502 9.638 0.266 237 H GLY 37 H GLY 37 7.855 10.051 -0.271 238 HA2 GLY 37 1HA GLY 37 8.434 12.260 0.472 239 HA3 GLY 37 2HA GLY 37 7.526 11.959 1.946 240 H GLN 38 H GLN 38 8.532 9.521 2.734 241 HA GLN 38 HA GLN 38 11.419 9.999 3.028 242 HB2 GLN 38 1HB GLN 38 9.804 10.643 5.026 243 HB3 GLN 38 2HB GLN 38 9.878 8.914 5.342 244 HG2 GLN 38 1HG GLN 38 12.247 8.994 5.616 245 HG3 GLN 38 2HG GLN 38 12.302 10.672 5.078 246 HE21 GLN 38 1HE2 GLN 38 13.511 10.346 7.327 247 HE22 GLN 38 2HE2 GLN 38 12.569 10.843 8.687 248 H ARG 39 H ARG 39 12.575 8.052 3.892 249 HA ARG 39 HA ARG 39 11.302 5.575 2.927 250 HB2 ARG 39 1HB ARG 39 13.309 6.700 1.611 251 HB3 ARG 39 2HB ARG 39 14.268 5.886 2.840 252 HG2 ARG 39 1HG ARG 39 13.535 3.759 2.154 253 HG3 ARG 39 2HG ARG 39 12.227 4.439 1.182 254 HD2 ARG 39 1HD ARG 39 15.017 5.229 0.531 255 HD3 ARG 39 2HD ARG 39 14.494 3.602 0.097 256 HE ARG 39 HE ARG 39 12.538 5.349 -0.805 257 HH11 ARG 39 1HH1 ARG 39 15.910 4.716 -1.393 258 HH12 ARG 39 2HH1 ARG 39 15.856 5.245 -3.042 259 HH21 ARG 39 1HH2 ARG 39 12.453 6.048 -2.975 260 HH22 ARG 39 2HH2 ARG 39 13.889 6.003 -3.940 261 HA PRO 40 HA PRO 40 12.090 3.960 6.951 262 HB2 PRO 40 1HB PRO 40 11.929 1.314 6.365 263 HB3 PRO 40 2HB PRO 40 10.512 2.367 6.449 264 HG2 PRO 40 1HG PRO 40 12.033 1.428 4.049 265 HG3 PRO 40 2HG PRO 40 10.280 1.548 4.286 266 HD2 PRO 40 1HD PRO 40 11.695 3.402 2.910 267 HD3 PRO 40 2HD PRO 40 10.251 3.813 3.858 268 H SER 41 H SER 41 13.851 3.424 8.114 269 HA SER 41 HA SER 41 16.273 2.687 6.640 270 HB2 SER 41 1HB SER 41 15.924 3.762 9.449 271 HB3 SER 41 2HB SER 41 17.474 3.401 8.690 272 HG SER 41 HG SER 41 17.251 5.097 7.378 273 H GLY 42 H GLY 42 14.194 0.739 7.247 274 HA2 GLY 42 1HA GLY 42 15.895 -1.196 8.632 275 HA3 GLY 42 2HA GLY 42 14.289 -0.923 9.291 276 HA PRO 43 HA PRO 43 14.416 -3.919 5.520 277 HB2 PRO 43 1HB PRO 43 14.876 -6.297 6.746 278 HB3 PRO 43 2HB PRO 43 16.170 -5.289 6.087 279 HG2 PRO 43 1HG PRO 43 15.225 -5.548 8.916 280 HG3 PRO 43 2HG PRO 43 16.884 -5.474 8.293 281 HD2 PRO 43 1HD PRO 43 15.641 -3.331 9.386 282 HD3 PRO 43 2HD PRO 43 16.836 -3.179 8.082 283 H SER 44 H SER 44 12.914 -5.819 5.240 284 HA SER 44 HA SER 44 10.608 -5.516 7.047 285 HB2 SER 44 1HB SER 44 10.849 -5.851 4.098 286 HB3 SER 44 2HB SER 44 9.471 -6.615 4.889 287 HG SER 44 HG SER 44 8.932 -4.571 5.755 288 H SER 45 H SER 45 12.180 -7.921 4.937 289 HA SER 45 HA SER 45 10.897 -10.118 6.271 290 HB2 SER 45 1HB SER 45 11.587 -10.098 3.834 291 HB3 SER 45 2HB SER 45 13.255 -10.258 4.384 292 HG SER 45 HG SER 45 11.114 -12.074 4.757 293 H GLY 46 H GLY 46 12.423 -12.020 6.938 294 HA2 GLY 46 1HA GLY 46 14.473 -10.892 8.744 295 HA3 GLY 46 2HA GLY 46 13.433 -12.239 9.182 Start of MODEL 17 1 H1 GLY 1 H GLY 1 10.362 -12.372 4.974 2 HA2 GLY 1 1HA GLY 1 13.079 -12.206 3.972 3 HA3 GLY 1 2HA GLY 1 12.753 -13.595 4.997 4 H SER 2 H SER 2 12.806 -15.250 3.585 5 HA SER 2 HA SER 2 10.640 -15.456 1.683 6 HB2 SER 2 1HB SER 2 11.991 -15.840 -0.272 7 HB3 SER 2 2HB SER 2 12.486 -14.297 0.426 8 HG SER 2 HG SER 2 14.060 -15.891 1.588 9 H SER 3 H SER 3 10.830 -17.655 0.497 10 HA SER 3 HA SER 3 11.914 -19.655 2.371 11 HB2 SER 3 1HB SER 3 9.971 -21.067 1.933 12 HB3 SER 3 2HB SER 3 9.446 -19.495 2.534 13 HG SER 3 HG SER 3 8.456 -19.156 0.714 14 H GLY 4 H GLY 4 10.892 -19.036 -0.973 15 HA2 GLY 4 1HA GLY 4 13.162 -20.566 -1.940 16 HA3 GLY 4 2HA GLY 4 11.588 -21.241 -2.332 17 H SER 5 H SER 5 10.914 -20.742 -4.297 18 HA SER 5 HA SER 5 11.795 -18.190 -5.474 19 HB2 SER 5 1HB SER 5 12.590 -20.227 -6.647 20 HB3 SER 5 2HB SER 5 10.914 -20.709 -6.906 21 HG SER 5 HG SER 5 10.875 -18.387 -7.855 22 H SER 6 H SER 6 10.172 -16.810 -4.943 23 HA SER 6 HA SER 6 7.656 -17.156 -6.314 24 HB2 SER 6 1HB SER 6 7.518 -18.276 -3.961 25 HB3 SER 6 2HB SER 6 7.446 -16.618 -3.366 26 HG SER 6 HG SER 6 5.536 -16.331 -4.335 27 H GLY 7 H GLY 7 6.531 -15.220 -6.610 28 HA2 GLY 7 1HA GLY 7 7.818 -12.802 -5.519 29 HA3 GLY 7 2HA GLY 7 7.501 -12.940 -7.243 30 H THR 8 H THR 8 5.000 -14.021 -7.317 31 HA THR 8 HA THR 8 3.346 -12.097 -5.820 32 HB THR 8 HB THR 8 1.846 -11.991 -7.830 33 HG1 THR 8 HG1 THR 8 2.632 -13.853 -8.911 34 HG21 THR 8 3HG2 THR 8 4.254 -10.626 -7.309 35 HG22 THR 8 1HG2 THR 8 2.877 -10.062 -8.255 36 HG23 THR 8 2HG2 THR 8 4.206 -10.908 -9.049 37 H GLY 9 H GLY 9 1.091 -12.737 -5.560 38 HA2 GLY 9 1HA GLY 9 0.390 -15.496 -6.092 39 HA3 GLY 9 2HA GLY 9 0.644 -15.125 -4.393 40 H GLU 10 H GLU 10 -1.059 -13.715 -7.195 41 HA GLU 10 HA GLU 10 -3.066 -12.632 -7.333 42 HB2 GLU 10 1HB GLU 10 -3.661 -15.085 -7.036 43 HB3 GLU 10 2HB GLU 10 -3.994 -14.708 -5.352 44 HG2 GLU 10 1HG GLU 10 -6.078 -14.602 -6.346 45 HG3 GLU 10 2HG GLU 10 -5.577 -12.913 -6.279 46 H LYS 11 H LYS 11 -1.392 -11.366 -5.548 47 HA LYS 11 HA LYS 11 -3.238 -10.529 -3.407 48 HB2 LYS 11 1HB LYS 11 -0.246 -10.781 -3.456 49 HB3 LYS 11 2HB LYS 11 -1.028 -9.670 -2.338 50 HG2 LYS 11 1HG LYS 11 -2.125 -11.413 -1.206 51 HG3 LYS 11 2HG LYS 11 -1.773 -12.573 -2.488 52 HD2 LYS 11 1HD LYS 11 0.516 -11.254 -1.120 53 HD3 LYS 11 2HD LYS 11 -0.368 -12.507 -0.245 54 HE2 LYS 11 1HE LYS 11 1.196 -13.798 -1.294 55 HE3 LYS 11 2HE LYS 11 -0.071 -13.812 -2.520 56 HZ1 LYS 11 3HZ LYS 11 2.175 -11.876 -2.520 57 HZ2 LYS 11 1HZ LYS 11 1.061 -12.160 -3.761 58 HZ3 LYS 11 2HZ LYS 11 2.208 -13.339 -3.368 59 HA PRO 12 HA PRO 12 -2.793 -6.941 -6.274 60 HB2 PRO 12 1HB PRO 12 -5.380 -6.154 -6.035 61 HB3 PRO 12 2HB PRO 12 -4.853 -7.384 -7.190 62 HG2 PRO 12 1HG PRO 12 -6.120 -7.731 -4.500 63 HG3 PRO 12 2HG PRO 12 -6.454 -8.592 -6.014 64 HD2 PRO 12 1HD PRO 12 -4.920 -9.645 -4.047 65 HD3 PRO 12 2HD PRO 12 -4.639 -9.991 -5.766 66 H TYR 13 H TYR 13 -4.576 -7.127 -3.202 67 HA TYR 13 HA TYR 13 -4.109 -4.339 -2.622 68 HB2 TYR 13 1HB TYR 13 -5.093 -5.127 -0.330 69 HB3 TYR 13 2HB TYR 13 -6.140 -5.028 -1.741 70 HD1 TYR 13 HD1 TYR 13 -3.680 -7.645 -0.730 71 HD2 TYR 13 HD2 TYR 13 -7.754 -6.675 -1.483 72 HE1 TYR 13 HE1 TYR 13 -4.291 -10.009 -0.436 73 HE2 TYR 13 HE2 TYR 13 -8.376 -9.036 -1.190 74 HH TYR 13 HH TYR 13 -7.605 -11.044 -0.274 75 H LYS 14 H LYS 14 -1.699 -5.602 -3.042 76 HA LYS 14 HA LYS 14 -0.557 -5.812 -0.334 77 HB2 LYS 14 1HB LYS 14 -0.208 -7.865 -1.512 78 HB3 LYS 14 2HB LYS 14 0.339 -7.016 -2.952 79 HG2 LYS 14 1HG LYS 14 2.270 -7.897 -1.942 80 HG3 LYS 14 2HG LYS 14 2.275 -6.172 -1.569 81 HD2 LYS 14 1HD LYS 14 2.778 -7.072 0.488 82 HD3 LYS 14 2HD LYS 14 1.021 -6.946 0.597 83 HE2 LYS 14 1HE LYS 14 1.615 -9.102 1.398 84 HE3 LYS 14 2HE LYS 14 0.903 -9.324 -0.199 85 HZ1 LYS 14 3HZ LYS 14 3.033 -10.584 0.337 86 HZ2 LYS 14 1HZ LYS 14 3.826 -9.100 0.159 87 HZ3 LYS 14 2HZ LYS 14 2.970 -9.761 -1.140 88 H CYS 15 H CYS 15 1.144 -4.534 0.238 89 HA CYS 15 HA CYS 15 1.546 -2.131 -1.236 90 HB2 CYS 15 1HB CYS 15 1.683 -2.509 1.318 91 HB3 CYS 15 2HB CYS 15 3.326 -3.059 1.003 92 H MET 16 H MET 16 3.129 -1.555 -2.612 93 HA MET 16 HA MET 16 5.011 -3.632 -3.430 94 HB2 MET 16 1HB MET 16 3.510 -2.240 -5.023 95 HB3 MET 16 2HB MET 16 4.697 -0.966 -4.779 96 HG2 MET 16 1HG MET 16 5.503 -1.954 -6.672 97 HG3 MET 16 2HG MET 16 6.402 -2.826 -5.433 98 HE1 MET 16 3HE MET 16 3.619 -2.824 -8.033 99 HE2 MET 16 1HE MET 16 5.084 -3.515 -8.730 100 HE3 MET 16 2HE MET 16 3.640 -4.511 -8.549 101 H GLU 17 H GLU 17 5.113 -1.565 -1.061 102 HA GLU 17 HA GLU 17 7.809 -0.534 -1.628 103 HB2 GLU 17 1HB GLU 17 5.557 0.417 0.066 104 HB3 GLU 17 2HB GLU 17 7.189 0.728 0.643 105 HG2 GLU 17 1HG GLU 17 6.800 2.629 -0.548 106 HG3 GLU 17 2HG GLU 17 7.548 1.626 -1.789 107 H CYS 18 H CYS 18 5.909 -1.983 1.016 108 HA CYS 18 HA CYS 18 8.417 -3.030 2.142 109 HB2 CYS 18 1HB CYS 18 7.139 -3.288 4.253 110 HB3 CYS 18 2HB CYS 18 7.206 -1.618 3.698 111 H GLY 19 H GLY 19 5.028 -3.921 1.517 112 HA2 GLY 19 1HA GLY 19 4.616 -6.027 0.346 113 HA3 GLY 19 2HA GLY 19 5.933 -6.722 1.280 114 H LYS 20 H LYS 20 3.325 -4.649 2.460 115 HA LYS 20 HA LYS 20 2.527 -6.832 4.262 116 HB2 LYS 20 1HB LYS 20 2.420 -3.841 4.488 117 HB3 LYS 20 2HB LYS 20 1.356 -4.842 5.467 118 HG2 LYS 20 1HG LYS 20 3.212 -5.903 6.528 119 HG3 LYS 20 2HG LYS 20 4.351 -5.129 5.423 120 HD2 LYS 20 1HD LYS 20 4.529 -3.793 7.298 121 HD3 LYS 20 2HD LYS 20 3.324 -2.920 6.350 122 HE2 LYS 20 1HE LYS 20 2.708 -4.880 8.559 123 HE3 LYS 20 2HE LYS 20 2.715 -3.127 8.737 124 HZ1 LYS 20 3HZ LYS 20 0.511 -3.548 8.344 125 HZ2 LYS 20 1HZ LYS 20 0.814 -4.838 7.291 126 HZ3 LYS 20 2HZ LYS 20 1.048 -3.247 6.768 127 H ALA 21 H ALA 21 0.266 -7.140 4.707 128 HA ALA 21 HA ALA 21 -1.401 -6.538 2.365 129 HB1 ALA 21 3HB ALA 21 -1.897 -8.605 4.502 130 HB2 ALA 21 1HB ALA 21 -2.737 -8.435 2.960 131 HB3 ALA 21 2HB ALA 21 -1.042 -8.921 2.992 132 H PHE 22 H PHE 22 -3.581 -5.867 2.640 133 HA PHE 22 HA PHE 22 -4.300 -4.845 5.290 134 HB2 PHE 22 1HB PHE 22 -4.436 -3.192 2.759 135 HB3 PHE 22 2HB PHE 22 -4.972 -2.685 4.357 136 HD1 PHE 22 HD2 PHE 22 -3.318 -2.275 6.143 137 HD2 PHE 22 HD1 PHE 22 -2.148 -3.117 2.138 138 HE1 PHE 22 HE2 PHE 22 -1.070 -1.397 6.618 139 HE2 PHE 22 HE1 PHE 22 0.103 -2.241 2.607 140 HZ PHE 22 HZ PHE 22 0.644 -1.379 4.850 141 H GLY 23 H GLY 23 -6.548 -4.531 5.616 142 HA2 GLY 23 1HA GLY 23 -8.179 -6.170 3.808 143 HA3 GLY 23 2HA GLY 23 -8.578 -5.765 5.471 144 H ASP 24 H ASP 24 -8.163 -2.989 5.361 145 HA ASP 24 HA ASP 24 -10.401 -2.201 3.617 146 HB2 ASP 24 1HB ASP 24 -10.587 -2.008 6.180 147 HB3 ASP 24 2HB ASP 24 -9.470 -0.655 6.027 148 H ASN 25 H ASN 25 -9.943 -0.932 1.954 149 HA ASN 25 HA ASN 25 -7.468 -0.064 1.187 150 HB2 ASN 25 1HB ASN 25 -9.958 1.529 0.586 151 HB3 ASN 25 2HB ASN 25 -8.536 1.309 -0.430 152 HD21 ASN 25 1HD2 ASN 25 -11.652 0.348 0.103 153 HD22 ASN 25 2HD2 ASN 25 -11.640 -1.138 -0.779 154 H SER 26 H SER 26 -9.889 1.813 2.992 155 HA SER 26 HA SER 26 -8.842 4.261 3.206 156 HB2 SER 26 1HB SER 26 -10.797 3.176 4.529 157 HB3 SER 26 2HB SER 26 -9.579 2.864 5.766 158 HG SER 26 HG SER 26 -10.887 5.124 5.278 159 H SER 27 H SER 27 -7.578 1.411 4.868 160 HA SER 27 HA SER 27 -5.516 2.884 6.226 161 HB2 SER 27 1HB SER 27 -6.647 0.628 6.909 162 HB3 SER 27 2HB SER 27 -5.444 -0.093 5.840 163 HG SER 27 HG SER 27 -3.941 0.322 7.258 164 H CYS 28 H CYS 28 -5.676 0.724 3.422 165 HA CYS 28 HA CYS 28 -3.058 0.380 2.781 166 HB2 CYS 28 1HB CYS 28 -4.897 -0.556 1.460 167 HB3 CYS 28 2HB CYS 28 -5.290 1.048 0.850 168 HG CYS 28 HG CYS 28 -2.369 -0.623 0.218 169 H THR 29 H THR 29 -5.010 3.105 1.554 170 HA THR 29 HA THR 29 -2.972 4.532 0.349 171 HB THR 29 HB THR 29 -4.975 5.487 -0.170 172 HG1 THR 29 HG1 THR 29 -3.614 7.164 0.725 173 HG21 THR 29 3HG2 THR 29 -5.731 4.579 2.517 174 HG22 THR 29 1HG2 THR 29 -6.667 4.600 1.024 175 HG23 THR 29 2HG2 THR 29 -6.526 6.064 1.998 176 H GLN 30 H GLN 30 -4.399 5.573 3.441 177 HA GLN 30 HA GLN 30 -2.633 7.365 4.316 178 HB2 GLN 30 1HB GLN 30 -4.017 5.177 5.832 179 HB3 GLN 30 2HB GLN 30 -2.946 6.293 6.669 180 HG2 GLN 30 1HG GLN 30 -4.390 8.113 5.484 181 HG3 GLN 30 2HG GLN 30 -5.568 6.808 5.356 182 HE21 GLN 30 1HE2 GLN 30 -7.047 7.596 6.770 183 HE22 GLN 30 2HE2 GLN 30 -6.755 7.788 8.462 184 H HIS 31 H HIS 31 -2.175 3.882 4.947 185 HA HIS 31 HA HIS 31 0.198 3.805 6.201 186 HB2 HIS 31 1HB HIS 31 -0.760 1.723 5.707 187 HB3 HIS 31 2HB HIS 31 -0.850 2.070 3.982 188 HD1 HIS 31 HD1 HIS 31 1.982 1.777 6.523 189 HD2 HIS 31 HD2 HIS 31 1.002 0.644 2.647 190 HE1 HIS 31 HE1 HIS 31 3.955 0.460 5.688 191 H GLN 32 H GLN 32 -0.155 4.160 2.680 192 HA GLN 32 HA GLN 32 2.452 4.193 1.879 193 HB2 GLN 32 1HB GLN 32 0.165 5.921 0.935 194 HB3 GLN 32 2HB GLN 32 1.719 5.848 0.116 195 HG2 GLN 32 1HG GLN 32 1.251 3.272 0.122 196 HG3 GLN 32 2HG GLN 32 -0.422 3.794 0.311 197 HE21 GLN 32 1HE2 GLN 32 -1.469 4.751 -1.380 198 HE22 GLN 32 2HE2 GLN 32 -0.806 4.858 -2.972 199 H ARG 33 H ARG 33 0.643 6.878 3.316 200 HA ARG 33 HA ARG 33 2.202 9.027 3.058 201 HB2 ARG 33 1HB ARG 33 0.934 7.976 5.582 202 HB3 ARG 33 2HB ARG 33 1.714 9.551 5.510 203 HG2 ARG 33 1HG ARG 33 0.098 10.440 4.132 204 HG3 ARG 33 2HG ARG 33 -0.398 8.861 3.520 205 HD2 ARG 33 1HD ARG 33 -2.086 9.814 5.009 206 HD3 ARG 33 2HD ARG 33 -1.406 8.329 5.672 207 HE ARG 33 HE ARG 33 0.079 10.391 6.742 208 HH11 ARG 33 1HH1 ARG 33 -3.257 9.395 6.742 209 HH12 ARG 33 2HH1 ARG 33 -3.593 10.065 8.304 210 HH21 ARG 33 1HH2 ARG 33 -0.351 11.278 8.799 211 HH22 ARG 33 2HH2 ARG 33 -1.939 11.137 9.473 212 H LEU 34 H LEU 34 2.835 6.568 5.565 213 HA LEU 34 HA LEU 34 5.239 7.625 6.493 214 HB2 LEU 34 1HB LEU 34 5.532 5.646 7.649 215 HB3 LEU 34 2HB LEU 34 3.786 5.715 7.421 216 HG LEU 34 HG LEU 34 4.219 4.204 5.372 217 HD11 LEU 34 1HD1 LEU 34 6.268 3.444 4.984 218 HD12 LEU 34 2HD1 LEU 34 6.465 2.946 6.664 219 HD13 LEU 34 3HD1 LEU 34 6.858 4.596 6.182 220 HD21 LEU 34 3HD2 LEU 34 4.121 2.206 6.786 221 HD22 LEU 34 1HD2 LEU 34 3.055 3.478 7.382 222 HD23 LEU 34 2HD2 LEU 34 4.597 3.173 8.183 223 H HIS 35 H HIS 35 4.598 5.409 3.824 224 HA HIS 35 HA HIS 35 7.291 4.786 3.241 225 HB2 HIS 35 1HB HIS 35 4.686 4.526 1.827 226 HB3 HIS 35 2HB HIS 35 6.148 4.429 0.850 227 HD1 HIS 35 HD1 HIS 35 7.751 2.939 3.251 228 HD2 HIS 35 HD2 HIS 35 4.167 1.794 1.487 229 HE1 HIS 35 HE1 HIS 35 7.560 0.465 3.659 230 H THR 36 H THR 36 5.118 7.323 2.095 231 HA THR 36 HA THR 36 5.563 9.355 1.150 232 HB THR 36 HB THR 36 8.515 8.846 1.145 233 HG1 THR 36 HG1 THR 36 6.832 9.095 3.385 234 HG21 THR 36 3HG2 THR 36 6.776 11.075 0.775 235 HG22 THR 36 1HG2 THR 36 8.535 11.022 0.669 236 HG23 THR 36 2HG2 THR 36 7.754 11.359 2.214 237 H GLY 37 H GLY 37 4.773 7.522 -0.561 238 HA2 GLY 37 1HA GLY 37 6.695 7.563 -2.799 239 HA3 GLY 37 2HA GLY 37 5.398 6.392 -2.613 240 H GLN 38 H GLN 38 3.695 8.816 -1.727 241 HA GLN 38 HA GLN 38 3.068 9.714 -4.461 242 HB2 GLN 38 1HB GLN 38 1.294 8.332 -3.575 243 HB3 GLN 38 2HB GLN 38 1.237 9.283 -2.097 244 HG2 GLN 38 1HG GLN 38 0.223 11.087 -3.145 245 HG3 GLN 38 2HG GLN 38 0.722 10.558 -4.751 246 HE21 GLN 38 1HE2 GLN 38 -0.781 9.648 -5.947 247 HE22 GLN 38 2HE2 GLN 38 -2.225 8.894 -5.372 248 H ARG 39 H ARG 39 2.179 10.833 -1.199 249 HA ARG 39 HA ARG 39 2.690 13.578 -2.054 250 HB2 ARG 39 1HB ARG 39 0.667 13.628 -0.988 251 HB3 ARG 39 2HB ARG 39 1.074 12.290 0.078 252 HG2 ARG 39 1HG ARG 39 2.558 13.830 1.345 253 HG3 ARG 39 2HG ARG 39 1.962 15.152 0.339 254 HD2 ARG 39 1HD ARG 39 -0.379 14.344 1.087 255 HD3 ARG 39 2HD ARG 39 0.497 13.509 2.370 256 HE ARG 39 HE ARG 39 1.297 16.214 2.251 257 HH11 ARG 39 1HH1 ARG 39 -1.377 14.203 3.212 258 HH12 ARG 39 2HH1 ARG 39 -1.942 15.308 4.421 259 HH21 ARG 39 1HH2 ARG 39 0.563 17.677 3.839 260 HH22 ARG 39 2HH2 ARG 39 -0.839 17.284 4.776 261 HA PRO 40 HA PRO 40 6.563 13.801 0.038 262 HB2 PRO 40 1HB PRO 40 6.733 16.499 0.285 263 HB3 PRO 40 2HB PRO 40 6.974 15.658 -1.251 264 HG2 PRO 40 1HG PRO 40 4.541 17.070 -0.225 265 HG3 PRO 40 2HG PRO 40 5.256 17.108 -1.847 266 HD2 PRO 40 1HD PRO 40 3.101 15.585 -1.241 267 HD3 PRO 40 2HD PRO 40 4.305 15.097 -2.451 268 H SER 41 H SER 41 6.213 12.901 2.055 269 HA SER 41 HA SER 41 5.456 14.805 4.170 270 HB2 SER 41 1HB SER 41 4.665 11.895 3.933 271 HB3 SER 41 2HB SER 41 4.475 12.842 5.408 272 HG SER 41 HG SER 41 2.578 13.143 4.446 273 H GLY 42 H GLY 42 7.757 15.171 4.357 274 HA2 GLY 42 1HA GLY 42 9.018 13.116 6.040 275 HA3 GLY 42 2HA GLY 42 9.908 13.759 4.667 276 HA PRO 43 HA PRO 43 10.380 16.387 8.615 277 HB2 PRO 43 1HB PRO 43 12.867 15.579 9.343 278 HB3 PRO 43 2HB PRO 43 11.394 14.805 9.939 279 HG2 PRO 43 1HG PRO 43 13.226 13.945 7.733 280 HG3 PRO 43 2HG PRO 43 12.466 12.967 9.002 281 HD2 PRO 43 1HD PRO 43 11.501 13.076 6.475 282 HD3 PRO 43 2HD PRO 43 10.451 12.860 7.889 283 H SER 44 H SER 44 12.502 17.757 9.065 284 HA SER 44 HA SER 44 13.347 18.790 6.447 285 HB2 SER 44 1HB SER 44 13.906 20.877 7.732 286 HB3 SER 44 2HB SER 44 12.195 20.451 7.757 287 HG SER 44 HG SER 44 13.912 19.566 9.804 288 H SER 45 H SER 45 15.094 17.444 6.052 289 HA SER 45 HA SER 45 17.493 18.092 7.571 290 HB2 SER 45 1HB SER 45 16.833 16.103 8.718 291 HB3 SER 45 2HB SER 45 16.448 15.281 7.207 292 HG SER 45 HG SER 45 18.698 15.162 8.479 293 H GLY 46 H GLY 46 19.155 18.454 6.246 294 HA2 GLY 46 1HA GLY 46 19.738 16.935 3.936 295 HA3 GLY 46 2HA GLY 46 18.913 18.413 3.466 Start of MODEL 18 1 H1 GLY 1 H GLY 1 5.389 -36.796 -5.711 2 HA2 GLY 1 1HA GLY 1 6.446 -35.503 -3.293 3 HA3 GLY 1 2HA GLY 1 7.393 -35.432 -4.772 4 H SER 2 H SER 2 3.927 -35.035 -4.038 5 HA SER 2 HA SER 2 3.265 -33.231 -5.963 6 HB2 SER 2 1HB SER 2 1.504 -32.395 -4.411 7 HB3 SER 2 2HB SER 2 1.596 -34.155 -4.462 8 HG SER 2 HG SER 2 3.177 -33.631 -2.563 9 H SER 3 H SER 3 3.783 -31.207 -6.472 10 HA SER 3 HA SER 3 5.533 -29.720 -4.677 11 HB2 SER 3 1HB SER 3 4.858 -29.543 -7.593 12 HB3 SER 3 2HB SER 3 5.554 -28.143 -6.776 13 HG SER 3 HG SER 3 7.244 -29.639 -6.066 14 H GLY 4 H GLY 4 5.096 -27.683 -3.876 15 HA2 GLY 4 1HA GLY 4 2.250 -26.930 -3.936 16 HA3 GLY 4 2HA GLY 4 3.388 -26.507 -2.665 17 H SER 5 H SER 5 1.692 -25.299 -5.201 18 HA SER 5 HA SER 5 3.568 -23.559 -6.419 19 HB2 SER 5 1HB SER 5 1.226 -24.254 -7.256 20 HB3 SER 5 2HB SER 5 0.621 -22.970 -6.209 21 HG SER 5 HG SER 5 1.096 -21.682 -7.789 22 H SER 6 H SER 6 4.432 -21.723 -5.716 23 HA SER 6 HA SER 6 3.522 -20.626 -3.172 24 HB2 SER 6 1HB SER 6 6.006 -20.215 -4.834 25 HB3 SER 6 2HB SER 6 5.633 -19.202 -3.440 26 HG SER 6 HG SER 6 5.332 -21.527 -2.480 27 H GLY 7 H GLY 7 3.010 -18.431 -2.867 28 HA2 GLY 7 1HA GLY 7 1.520 -17.261 -4.993 29 HA3 GLY 7 2HA GLY 7 1.835 -16.533 -3.425 30 H THR 8 H THR 8 2.918 -16.848 -6.718 31 HA THR 8 HA THR 8 5.132 -14.997 -6.275 32 HB THR 8 HB THR 8 5.667 -16.854 -7.703 33 HG1 THR 8 HG1 THR 8 5.299 -14.460 -9.210 34 HG21 THR 8 3HG2 THR 8 4.223 -16.518 -10.048 35 HG22 THR 8 1HG2 THR 8 3.017 -16.345 -8.774 36 HG23 THR 8 2HG2 THR 8 4.005 -17.803 -8.860 37 H GLY 9 H GLY 9 1.868 -14.866 -7.040 38 HA2 GLY 9 1HA GLY 9 1.968 -12.656 -8.885 39 HA3 GLY 9 2HA GLY 9 0.531 -13.305 -8.107 40 H GLU 10 H GLU 10 0.285 -10.796 -8.175 41 HA GLU 10 HA GLU 10 1.120 -9.812 -5.533 42 HB2 GLU 10 1HB GLU 10 2.404 -8.818 -7.538 43 HB3 GLU 10 2HB GLU 10 0.903 -7.982 -7.910 44 HG2 GLU 10 1HG GLU 10 2.466 -6.595 -6.630 45 HG3 GLU 10 2HG GLU 10 0.944 -6.859 -5.781 46 H LYS 11 H LYS 11 -0.474 -8.972 -4.333 47 HA LYS 11 HA LYS 11 -3.161 -8.978 -5.420 48 HB2 LYS 11 1HB LYS 11 -2.173 -8.396 -2.621 49 HB3 LYS 11 2HB LYS 11 -3.858 -8.574 -3.091 50 HG2 LYS 11 1HG LYS 11 -1.795 -10.741 -3.403 51 HG3 LYS 11 2HG LYS 11 -2.858 -10.579 -2.004 52 HD2 LYS 11 1HD LYS 11 -3.984 -10.691 -4.779 53 HD3 LYS 11 2HD LYS 11 -3.547 -12.172 -3.923 54 HE2 LYS 11 1HE LYS 11 -5.423 -10.062 -2.863 55 HE3 LYS 11 2HE LYS 11 -5.935 -11.543 -3.670 56 HZ1 LYS 11 3HZ LYS 11 -5.817 -12.573 -1.730 57 HZ2 LYS 11 1HZ LYS 11 -5.263 -11.167 -0.969 58 HZ3 LYS 11 2HZ LYS 11 -4.158 -12.255 -1.644 59 HA PRO 12 HA PRO 12 -3.563 -4.659 -6.105 60 HB2 PRO 12 1HB PRO 12 -6.191 -4.293 -5.531 61 HB3 PRO 12 2HB PRO 12 -5.632 -5.119 -6.991 62 HG2 PRO 12 1HG PRO 12 -6.620 -6.283 -4.416 63 HG3 PRO 12 2HG PRO 12 -6.985 -6.776 -6.080 64 HD2 PRO 12 1HD PRO 12 -5.183 -8.081 -4.536 65 HD3 PRO 12 2HD PRO 12 -5.014 -7.949 -6.299 66 H TYR 13 H TYR 13 -5.062 -5.822 -3.096 67 HA TYR 13 HA TYR 13 -4.675 -3.218 -1.850 68 HB2 TYR 13 1HB TYR 13 -5.742 -4.522 0.144 69 HB3 TYR 13 2HB TYR 13 -6.746 -4.063 -1.227 70 HD1 TYR 13 HD1 TYR 13 -4.361 -6.899 -0.761 71 HD2 TYR 13 HD2 TYR 13 -8.376 -5.688 -1.478 72 HE1 TYR 13 HE1 TYR 13 -5.009 -9.251 -1.067 73 HE2 TYR 13 HE2 TYR 13 -9.036 -8.037 -1.785 74 HH TYR 13 HH TYR 13 -8.354 -10.208 -1.387 75 H LYS 14 H LYS 14 -2.290 -4.471 -2.541 76 HA LYS 14 HA LYS 14 -1.172 -5.044 0.120 77 HB2 LYS 14 1HB LYS 14 -1.363 -7.106 -1.304 78 HB3 LYS 14 2HB LYS 14 -0.255 -6.353 -2.444 79 HG2 LYS 14 1HG LYS 14 1.229 -7.582 -1.249 80 HG3 LYS 14 2HG LYS 14 1.238 -6.112 -0.273 81 HD2 LYS 14 1HD LYS 14 -0.128 -7.062 1.375 82 HD3 LYS 14 2HD LYS 14 -0.657 -8.367 0.310 83 HE2 LYS 14 1HE LYS 14 0.872 -9.331 1.837 84 HE3 LYS 14 2HE LYS 14 1.734 -9.171 0.307 85 HZ1 LYS 14 3HZ LYS 14 3.262 -7.956 1.320 86 HZ2 LYS 14 1HZ LYS 14 2.463 -8.157 2.797 87 HZ3 LYS 14 2HZ LYS 14 2.102 -6.829 1.814 88 H CYS 15 H CYS 15 0.443 -3.740 0.679 89 HA CYS 15 HA CYS 15 1.261 -1.545 -0.770 90 HB2 CYS 15 1HB CYS 15 1.638 -2.113 1.717 91 HB3 CYS 15 2HB CYS 15 3.104 -2.921 1.171 92 H MET 16 H MET 16 2.845 -1.085 -2.219 93 HA MET 16 HA MET 16 4.191 -3.379 -3.436 94 HB2 MET 16 1HB MET 16 2.808 -1.673 -4.763 95 HB3 MET 16 2HB MET 16 4.154 -0.568 -4.515 96 HG2 MET 16 1HG MET 16 4.577 -3.279 -5.709 97 HG3 MET 16 2HG MET 16 4.050 -1.915 -6.692 98 HE1 MET 16 3HE MET 16 7.767 -3.441 -5.419 99 HE2 MET 16 1HE MET 16 6.396 -3.982 -6.389 100 HE3 MET 16 2HE MET 16 7.727 -3.110 -7.151 101 H GLU 17 H GLU 17 4.827 -0.479 -1.640 102 HA GLU 17 HA GLU 17 7.589 -0.243 -2.252 103 HB2 GLU 17 1HB GLU 17 6.366 1.643 -1.349 104 HB3 GLU 17 2HB GLU 17 5.990 0.743 0.114 105 HG2 GLU 17 1HG GLU 17 7.766 2.347 0.505 106 HG3 GLU 17 2HG GLU 17 8.348 0.695 0.709 107 H CYS 18 H CYS 18 6.160 -1.140 0.887 108 HA CYS 18 HA CYS 18 8.538 -2.723 1.476 109 HB2 CYS 18 1HB CYS 18 7.777 -2.741 3.760 110 HB3 CYS 18 2HB CYS 18 7.632 -1.097 3.147 111 H GLY 19 H GLY 19 5.007 -3.109 1.348 112 HA2 GLY 19 1HA GLY 19 4.001 -5.056 0.387 113 HA3 GLY 19 2HA GLY 19 5.434 -5.972 0.831 114 H LYS 20 H LYS 20 2.405 -4.658 1.933 115 HA LYS 20 HA LYS 20 2.424 -6.549 4.150 116 HB2 LYS 20 1HB LYS 20 2.327 -3.576 4.440 117 HB3 LYS 20 2HB LYS 20 1.381 -4.564 5.545 118 HG2 LYS 20 1HG LYS 20 3.325 -5.653 6.367 119 HG3 LYS 20 2HG LYS 20 4.330 -4.948 5.099 120 HD2 LYS 20 1HD LYS 20 4.203 -2.799 6.048 121 HD3 LYS 20 2HD LYS 20 2.848 -3.248 7.087 122 HE2 LYS 20 1HE LYS 20 5.564 -4.516 7.330 123 HE3 LYS 20 2HE LYS 20 5.130 -3.041 8.192 124 HZ1 LYS 20 3HZ LYS 20 3.584 -4.147 9.478 125 HZ2 LYS 20 1HZ LYS 20 4.818 -5.297 9.351 126 HZ3 LYS 20 2HZ LYS 20 3.429 -5.438 8.396 127 H ALA 21 H ALA 21 0.320 -7.010 4.988 128 HA ALA 21 HA ALA 21 -1.784 -6.526 3.014 129 HB1 ALA 21 3HB ALA 21 -2.961 -8.311 4.503 130 HB2 ALA 21 1HB ALA 21 -1.683 -8.797 3.389 131 HB3 ALA 21 2HB ALA 21 -1.331 -8.606 5.108 132 H PHE 22 H PHE 22 -3.787 -5.674 3.538 133 HA PHE 22 HA PHE 22 -4.233 -4.730 6.263 134 HB2 PHE 22 1HB PHE 22 -4.087 -2.942 3.836 135 HB3 PHE 22 2HB PHE 22 -4.902 -2.464 5.322 136 HD1 PHE 22 HD1 PHE 22 -1.628 -3.546 3.962 137 HD2 PHE 22 HD2 PHE 22 -3.700 -1.554 7.101 138 HE1 PHE 22 HE1 PHE 22 0.518 -2.767 4.880 139 HE2 PHE 22 HE2 PHE 22 -1.558 -0.772 8.024 140 HZ PHE 22 HZ PHE 22 0.555 -1.378 6.913 141 H GLY 23 H GLY 23 -6.368 -4.595 6.835 142 HA2 GLY 23 1HA GLY 23 -8.276 -6.161 5.768 143 HA3 GLY 23 2HA GLY 23 -8.673 -4.663 6.597 144 H ASP 24 H ASP 24 -8.619 -2.669 5.230 145 HA ASP 24 HA ASP 24 -9.569 -3.285 2.509 146 HB2 ASP 24 1HB ASP 24 -10.926 -1.148 2.762 147 HB3 ASP 24 2HB ASP 24 -11.454 -2.522 3.729 148 H ASN 25 H ASN 25 -8.895 -1.993 0.824 149 HA ASN 25 HA ASN 25 -6.359 -0.941 0.849 150 HB2 ASN 25 1HB ASN 25 -7.110 -1.264 -1.297 151 HB3 ASN 25 2HB ASN 25 -8.711 -0.618 -0.949 152 HD21 ASN 25 1HD2 ASN 25 -5.325 0.371 -1.229 153 HD22 ASN 25 2HD2 ASN 25 -5.655 1.920 -1.921 154 H SER 26 H SER 26 -9.420 0.788 1.308 155 HA SER 26 HA SER 26 -8.759 3.383 1.315 156 HB2 SER 26 1HB SER 26 -10.343 3.718 3.221 157 HB3 SER 26 2HB SER 26 -10.982 2.671 1.954 158 HG SER 26 HG SER 26 -9.929 0.964 3.447 159 H SER 27 H SER 27 -8.039 1.157 3.985 160 HA SER 27 HA SER 27 -6.814 3.047 5.670 161 HB2 SER 27 1HB SER 27 -6.490 0.048 5.466 162 HB3 SER 27 2HB SER 27 -5.746 1.020 6.735 163 HG SER 27 HG SER 27 -8.143 0.018 6.758 164 H CYS 28 H CYS 28 -5.432 0.784 3.305 165 HA CYS 28 HA CYS 28 -2.763 1.154 3.641 166 HB2 CYS 28 1HB CYS 28 -3.844 -0.305 1.919 167 HB3 CYS 28 2HB CYS 28 -4.118 1.130 0.939 168 HG CYS 28 HG CYS 28 -0.999 1.288 1.581 169 H THR 29 H THR 29 -4.970 3.323 1.923 170 HA THR 29 HA THR 29 -3.441 5.124 0.693 171 HB THR 29 HB THR 29 -5.972 5.253 1.324 172 HG1 THR 29 HG1 THR 29 -5.659 7.717 1.045 173 HG21 THR 29 3HG2 THR 29 -4.899 7.250 3.304 174 HG22 THR 29 1HG2 THR 29 -5.385 5.621 3.774 175 HG23 THR 29 2HG2 THR 29 -6.567 6.726 3.072 176 H GLN 30 H GLN 30 -3.707 4.841 4.202 177 HA GLN 30 HA GLN 30 -1.911 7.069 4.643 178 HB2 GLN 30 1HB GLN 30 -3.471 6.992 6.342 179 HB3 GLN 30 2HB GLN 30 -3.501 5.234 6.379 180 HG2 GLN 30 1HG GLN 30 -2.494 5.983 8.391 181 HG3 GLN 30 2HG GLN 30 -1.224 5.287 7.386 182 HE21 GLN 30 1HE2 GLN 30 0.415 6.417 8.380 183 HE22 GLN 30 2HE2 GLN 30 0.629 8.120 8.187 184 H HIS 31 H HIS 31 -1.851 3.544 4.953 185 HA HIS 31 HA HIS 31 0.621 3.202 6.143 186 HB2 HIS 31 1HB HIS 31 -0.795 1.303 5.826 187 HB3 HIS 31 2HB HIS 31 -0.803 1.521 4.078 188 HD1 HIS 31 HD1 HIS 31 1.660 0.657 6.840 189 HD2 HIS 31 HD2 HIS 31 1.058 0.038 2.775 190 HE1 HIS 31 HE1 HIS 31 3.466 -0.942 6.128 191 H GLN 32 H GLN 32 -0.130 4.296 2.961 192 HA GLN 32 HA GLN 32 2.420 3.694 1.798 193 HB2 GLN 32 1HB GLN 32 0.133 4.106 0.625 194 HB3 GLN 32 2HB GLN 32 0.562 5.807 0.755 195 HG2 GLN 32 1HG GLN 32 2.600 5.406 -0.510 196 HG3 GLN 32 2HG GLN 32 2.206 3.691 -0.616 197 HE21 GLN 32 1HE2 GLN 32 2.241 3.821 -2.881 198 HE22 GLN 32 2HE2 GLN 32 0.935 4.529 -3.763 199 H ARG 33 H ARG 33 0.988 6.420 3.467 200 HA ARG 33 HA ARG 33 2.970 8.330 2.798 201 HB2 ARG 33 1HB ARG 33 0.574 8.560 3.919 202 HB3 ARG 33 2HB ARG 33 1.521 8.496 5.399 203 HG2 ARG 33 1HG ARG 33 1.526 10.736 5.085 204 HG3 ARG 33 2HG ARG 33 2.940 10.334 4.108 205 HD2 ARG 33 1HD ARG 33 0.199 10.407 2.899 206 HD3 ARG 33 2HD ARG 33 1.132 11.887 3.112 207 HE ARG 33 HE ARG 33 2.702 9.931 1.815 208 HH11 ARG 33 1HH1 ARG 33 0.021 12.081 1.259 209 HH12 ARG 33 2HH1 ARG 33 0.321 12.226 -0.442 210 HH21 ARG 33 1HH2 ARG 33 3.106 10.113 -0.422 211 HH22 ARG 33 2HH2 ARG 33 2.075 11.105 -1.397 212 H LEU 34 H LEU 34 3.075 5.598 4.762 213 HA LEU 34 HA LEU 34 4.900 6.553 6.749 214 HB2 LEU 34 1HB LEU 34 4.058 3.804 5.870 215 HB3 LEU 34 2HB LEU 34 5.256 4.069 7.135 216 HG LEU 34 HG LEU 34 3.526 5.310 8.428 217 HD11 LEU 34 1HD1 LEU 34 1.130 4.539 7.548 218 HD12 LEU 34 2HD1 LEU 34 1.957 4.688 5.998 219 HD13 LEU 34 3HD1 LEU 34 1.869 6.072 7.087 220 HD21 LEU 34 3HD2 LEU 34 3.672 2.477 7.893 221 HD22 LEU 34 1HD2 LEU 34 2.047 2.952 8.386 222 HD23 LEU 34 2HD2 LEU 34 3.426 3.324 9.421 223 H HIS 35 H HIS 35 5.185 5.434 3.511 224 HA HIS 35 HA HIS 35 8.104 5.193 3.816 225 HB2 HIS 35 1HB HIS 35 6.714 4.232 1.357 226 HB3 HIS 35 2HB HIS 35 8.159 3.605 2.146 227 HD1 HIS 35 HD1 HIS 35 7.822 1.900 4.055 228 HD2 HIS 35 HD2 HIS 35 4.287 3.201 2.302 229 HE1 HIS 35 HE1 HIS 35 6.044 0.324 4.878 230 H THR 36 H THR 36 6.223 7.578 3.327 231 HA THR 36 HA THR 36 7.401 8.542 0.812 232 HB THR 36 HB THR 36 5.692 10.321 0.883 233 HG1 THR 36 HG1 THR 36 4.346 10.514 2.553 234 HG21 THR 36 3HG2 THR 36 3.661 8.709 0.732 235 HG22 THR 36 1HG2 THR 36 4.865 7.443 0.965 236 HG23 THR 36 2HG2 THR 36 4.986 8.530 -0.418 237 H GLY 37 H GLY 37 7.026 9.304 4.234 238 HA2 GLY 37 1HA GLY 37 8.629 10.435 5.532 239 HA3 GLY 37 2HA GLY 37 9.360 11.047 4.055 240 H GLN 38 H GLN 38 8.365 12.836 2.981 241 HA GLN 38 HA GLN 38 7.575 14.898 4.677 242 HB2 GLN 38 1HB GLN 38 7.027 16.149 2.651 243 HB3 GLN 38 2HB GLN 38 8.543 15.280 2.458 244 HG2 GLN 38 1HG GLN 38 7.234 13.483 1.281 245 HG3 GLN 38 2HG GLN 38 5.864 14.591 1.290 246 HE21 GLN 38 1HE2 GLN 38 7.147 13.518 -1.007 247 HE22 GLN 38 2HE2 GLN 38 7.813 14.841 -1.897 248 H ARG 39 H ARG 39 5.594 15.917 5.060 249 HA ARG 39 HA ARG 39 3.172 14.524 4.191 250 HB2 ARG 39 1HB ARG 39 2.266 14.594 6.499 251 HB3 ARG 39 2HB ARG 39 3.656 13.530 6.339 252 HG2 ARG 39 1HG ARG 39 4.961 15.692 7.102 253 HG3 ARG 39 2HG ARG 39 3.390 16.101 7.795 254 HD2 ARG 39 1HD ARG 39 3.394 14.247 9.206 255 HD3 ARG 39 2HD ARG 39 4.615 13.406 8.251 256 HE ARG 39 HE ARG 39 5.570 15.840 9.433 257 HH11 ARG 39 1HH1 ARG 39 5.019 12.442 9.950 258 HH12 ARG 39 2HH1 ARG 39 6.222 12.303 11.190 259 HH21 ARG 39 1HH2 ARG 39 7.156 15.670 11.063 260 HH22 ARG 39 2HH2 ARG 39 7.436 14.140 11.823 261 HA PRO 40 HA PRO 40 1.663 18.616 3.620 262 HB2 PRO 40 1HB PRO 40 -1.006 18.131 3.719 263 HB3 PRO 40 2HB PRO 40 0.004 17.670 2.343 264 HG2 PRO 40 1HG PRO 40 -0.973 15.992 4.622 265 HG3 PRO 40 2HG PRO 40 -0.900 15.599 2.894 266 HD2 PRO 40 1HD PRO 40 0.947 14.719 4.667 267 HD3 PRO 40 2HD PRO 40 1.346 15.087 2.977 268 H SER 41 H SER 41 1.337 16.904 6.501 269 HA SER 41 HA SER 41 0.810 19.329 7.979 270 HB2 SER 41 1HB SER 41 -1.133 18.527 9.173 271 HB3 SER 41 2HB SER 41 -1.470 18.440 7.444 272 HG SER 41 HG SER 41 -1.462 16.466 9.264 273 H GLY 42 H GLY 42 2.020 19.338 9.761 274 HA2 GLY 42 1HA GLY 42 2.477 17.938 11.836 275 HA3 GLY 42 2HA GLY 42 3.095 16.753 10.695 276 HA PRO 43 HA PRO 43 6.157 20.493 10.503 277 HB2 PRO 43 1HB PRO 43 5.801 22.453 12.347 278 HB3 PRO 43 2HB PRO 43 5.039 22.484 10.752 279 HG2 PRO 43 1HG PRO 43 3.885 21.657 13.388 280 HG3 PRO 43 2HG PRO 43 3.154 22.640 12.106 281 HD2 PRO 43 1HD PRO 43 2.576 20.016 12.438 282 HD3 PRO 43 2HD PRO 43 2.585 20.797 10.844 283 H SER 44 H SER 44 7.322 18.666 11.390 284 HA SER 44 HA SER 44 7.626 17.908 13.988 285 HB2 SER 44 1HB SER 44 8.781 16.964 11.912 286 HB3 SER 44 2HB SER 44 10.009 18.206 12.160 287 HG SER 44 HG SER 44 9.360 15.994 13.772 288 H SER 45 H SER 45 9.375 20.547 12.374 289 HA SER 45 HA SER 45 11.154 21.405 14.168 290 HB2 SER 45 1HB SER 45 9.179 23.024 12.572 291 HB3 SER 45 2HB SER 45 10.396 23.804 13.582 292 HG SER 45 HG SER 45 11.908 22.341 12.364 293 H GLY 46 H GLY 46 7.663 21.997 14.444 294 HA2 GLY 46 1HA GLY 46 6.914 21.664 16.855 295 HA3 GLY 46 2HA GLY 46 8.115 22.894 17.219 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -4.498 -25.619 1.980 2 HA2 GLY 1 1HA GLY 1 -4.491 -28.042 1.372 3 HA3 GLY 1 2HA GLY 1 -4.857 -28.346 3.064 4 H SER 2 H SER 2 -6.919 -28.679 3.541 5 HA SER 2 HA SER 2 -8.946 -27.894 1.573 6 HB2 SER 2 1HB SER 2 -9.022 -29.918 3.821 7 HB3 SER 2 2HB SER 2 -10.403 -29.527 2.796 8 HG SER 2 HG SER 2 -9.554 -30.647 1.220 9 H SER 3 H SER 3 -9.046 -25.694 2.227 10 HA SER 3 HA SER 3 -10.699 -25.305 4.615 11 HB2 SER 3 1HB SER 3 -8.122 -23.880 3.980 12 HB3 SER 3 2HB SER 3 -9.356 -23.133 4.995 13 HG SER 3 HG SER 3 -8.233 -24.199 6.466 14 H GLY 4 H GLY 4 -12.386 -23.983 4.286 15 HA2 GLY 4 1HA GLY 4 -12.367 -22.338 1.831 16 HA3 GLY 4 2HA GLY 4 -13.779 -23.248 2.346 17 H SER 5 H SER 5 -11.718 -20.499 3.056 18 HA SER 5 HA SER 5 -13.757 -19.488 4.921 19 HB2 SER 5 1HB SER 5 -10.832 -18.785 4.608 20 HB3 SER 5 2HB SER 5 -11.941 -17.901 5.655 21 HG SER 5 HG SER 5 -12.074 -19.597 6.983 22 H SER 6 H SER 6 -15.205 -18.524 3.560 23 HA SER 6 HA SER 6 -14.182 -16.493 1.698 24 HB2 SER 6 1HB SER 6 -15.795 -18.420 0.989 25 HB3 SER 6 2HB SER 6 -17.037 -17.424 1.748 26 HG SER 6 HG SER 6 -15.267 -16.261 -0.093 27 H GLY 7 H GLY 7 -14.118 -15.807 4.370 28 HA2 GLY 7 1HA GLY 7 -16.317 -13.839 4.532 29 HA3 GLY 7 2HA GLY 7 -15.699 -14.671 5.951 30 H THR 8 H THR 8 -12.961 -14.365 4.465 31 HA THR 8 HA THR 8 -12.333 -11.823 5.753 32 HB THR 8 HB THR 8 -9.949 -12.480 5.282 33 HG1 THR 8 HG1 THR 8 -10.990 -15.050 4.695 34 HG21 THR 8 3HG2 THR 8 -10.119 -14.561 6.874 35 HG22 THR 8 1HG2 THR 8 -11.812 -14.080 6.982 36 HG23 THR 8 2HG2 THR 8 -10.542 -12.952 7.459 37 H GLY 9 H GLY 9 -10.878 -10.292 4.662 38 HA2 GLY 9 1HA GLY 9 -11.890 -9.523 2.141 39 HA3 GLY 9 2HA GLY 9 -10.481 -8.834 2.934 40 H GLU 10 H GLU 10 -10.847 -9.373 0.115 41 HA GLU 10 HA GLU 10 -8.413 -10.897 -0.308 42 HB2 GLU 10 1HB GLU 10 -9.399 -12.349 -2.015 43 HB3 GLU 10 2HB GLU 10 -10.144 -12.619 -0.445 44 HG2 GLU 10 1HG GLU 10 -12.002 -11.103 -1.173 45 HG3 GLU 10 2HG GLU 10 -11.290 -11.123 -2.786 46 H LYS 11 H LYS 11 -7.196 -9.662 -1.558 47 HA LYS 11 HA LYS 11 -8.002 -8.715 -4.087 48 HB2 LYS 11 1HB LYS 11 -8.046 -6.326 -3.719 49 HB3 LYS 11 2HB LYS 11 -9.255 -7.089 -2.694 50 HG2 LYS 11 1HG LYS 11 -7.775 -6.901 -0.776 51 HG3 LYS 11 2HG LYS 11 -6.526 -6.182 -1.796 52 HD2 LYS 11 1HD LYS 11 -8.145 -4.349 -2.337 53 HD3 LYS 11 2HD LYS 11 -9.232 -5.031 -1.124 54 HE2 LYS 11 1HE LYS 11 -7.728 -4.568 0.629 55 HE3 LYS 11 2HE LYS 11 -6.395 -4.269 -0.486 56 HZ1 LYS 11 3HZ LYS 11 -8.818 -2.571 -0.220 57 HZ2 LYS 11 1HZ LYS 11 -7.505 -2.276 -1.246 58 HZ3 LYS 11 2HZ LYS 11 -7.298 -2.214 0.432 59 HA PRO 12 HA PRO 12 -3.618 -8.720 -4.482 60 HB2 PRO 12 1HB PRO 12 -3.390 -7.321 -6.798 61 HB3 PRO 12 2HB PRO 12 -3.971 -8.989 -6.737 62 HG2 PRO 12 1HG PRO 12 -5.536 -6.444 -6.928 63 HG3 PRO 12 2HG PRO 12 -5.772 -7.971 -7.798 64 HD2 PRO 12 1HD PRO 12 -7.268 -7.270 -5.653 65 HD3 PRO 12 2HD PRO 12 -6.864 -8.958 -6.025 66 H TYR 13 H TYR 13 -5.393 -6.061 -3.636 67 HA TYR 13 HA TYR 13 -3.514 -3.965 -4.043 68 HB2 TYR 13 1HB TYR 13 -6.045 -4.308 -2.518 69 HB3 TYR 13 2HB TYR 13 -4.982 -2.993 -2.030 70 HD1 TYR 13 HD1 TYR 13 -6.637 -4.428 -5.048 71 HD2 TYR 13 HD2 TYR 13 -5.101 -0.952 -3.135 72 HE1 TYR 13 HE1 TYR 13 -7.532 -3.038 -6.869 73 HE2 TYR 13 HE2 TYR 13 -5.992 0.448 -4.950 74 HH TYR 13 HH TYR 13 -8.072 0.066 -6.717 75 H LYS 14 H LYS 14 -1.546 -4.899 -3.290 76 HA LYS 14 HA LYS 14 -1.290 -4.819 -0.357 77 HB2 LYS 14 1HB LYS 14 -1.131 -7.137 -1.516 78 HB3 LYS 14 2HB LYS 14 0.444 -6.579 -2.065 79 HG2 LYS 14 1HG LYS 14 1.300 -6.483 0.102 80 HG3 LYS 14 2HG LYS 14 -0.306 -6.507 0.834 81 HD2 LYS 14 1HD LYS 14 -0.554 -8.777 0.536 82 HD3 LYS 14 2HD LYS 14 0.567 -8.828 -0.826 83 HE2 LYS 14 1HE LYS 14 1.483 -8.193 1.963 84 HE3 LYS 14 2HE LYS 14 1.334 -9.854 1.390 85 HZ1 LYS 14 3HZ LYS 14 3.521 -9.342 0.932 86 HZ2 LYS 14 1HZ LYS 14 3.182 -7.745 0.488 87 HZ3 LYS 14 2HZ LYS 14 2.777 -9.015 -0.552 88 H CYS 15 H CYS 15 0.154 -3.403 0.372 89 HA CYS 15 HA CYS 15 1.481 -1.571 -1.210 90 HB2 CYS 15 1HB CYS 15 1.122 -1.169 1.149 91 HB3 CYS 15 2HB CYS 15 2.165 -2.521 1.578 92 H MET 16 H MET 16 2.823 -2.157 -2.810 93 HA MET 16 HA MET 16 4.565 -4.387 -2.708 94 HB2 MET 16 1HB MET 16 4.241 -2.048 -4.552 95 HB3 MET 16 2HB MET 16 5.642 -3.099 -4.718 96 HG2 MET 16 1HG MET 16 4.179 -5.018 -5.035 97 HG3 MET 16 2HG MET 16 2.768 -3.981 -4.840 98 HE1 MET 16 3HE MET 16 1.690 -4.719 -6.844 99 HE2 MET 16 1HE MET 16 1.540 -2.977 -7.077 100 HE3 MET 16 2HE MET 16 1.988 -4.012 -8.432 101 H GLU 17 H GLU 17 4.887 -1.052 -1.777 102 HA GLU 17 HA GLU 17 7.572 -0.582 -1.820 103 HB2 GLU 17 1HB GLU 17 5.532 0.778 -0.814 104 HB3 GLU 17 2HB GLU 17 6.124 0.101 0.697 105 HG2 GLU 17 1HG GLU 17 6.970 2.400 0.035 106 HG3 GLU 17 2HG GLU 17 8.171 1.208 0.531 107 H CYS 18 H CYS 18 5.894 -1.974 1.007 108 HA CYS 18 HA CYS 18 8.442 -3.208 1.804 109 HB2 CYS 18 1HB CYS 18 7.468 -3.365 4.058 110 HB3 CYS 18 2HB CYS 18 7.474 -1.704 3.473 111 H GLY 19 H GLY 19 4.994 -3.859 1.351 112 HA2 GLY 19 1HA GLY 19 4.304 -5.930 0.324 113 HA3 GLY 19 2HA GLY 19 5.669 -6.717 1.103 114 H LYS 20 H LYS 20 3.050 -4.620 2.304 115 HA LYS 20 HA LYS 20 2.483 -6.678 4.333 116 HB2 LYS 20 1HB LYS 20 3.272 -4.232 4.921 117 HB3 LYS 20 2HB LYS 20 1.581 -3.842 4.634 118 HG2 LYS 20 1HG LYS 20 0.887 -5.384 6.351 119 HG3 LYS 20 2HG LYS 20 2.552 -5.921 6.584 120 HD2 LYS 20 1HD LYS 20 3.188 -3.714 7.358 121 HD3 LYS 20 2HD LYS 20 1.563 -3.105 7.034 122 HE2 LYS 20 1HE LYS 20 1.682 -3.521 9.365 123 HE3 LYS 20 2HE LYS 20 0.715 -4.820 8.669 124 HZ1 LYS 20 3HZ LYS 20 3.603 -5.025 9.331 125 HZ2 LYS 20 1HZ LYS 20 2.616 -6.272 8.753 126 HZ3 LYS 20 2HZ LYS 20 2.345 -5.623 10.291 127 H ALA 21 H ALA 21 0.454 -7.469 4.549 128 HA ALA 21 HA ALA 21 -1.449 -6.815 2.456 129 HB1 ALA 21 3HB ALA 21 -2.415 -8.748 4.357 130 HB2 ALA 21 1HB ALA 21 -2.064 -8.941 2.640 131 HB3 ALA 21 2HB ALA 21 -0.781 -9.150 3.832 132 H PHE 22 H PHE 22 -3.352 -5.778 2.721 133 HA PHE 22 HA PHE 22 -4.096 -4.971 5.454 134 HB2 PHE 22 1HB PHE 22 -4.358 -3.281 2.959 135 HB3 PHE 22 2HB PHE 22 -4.804 -2.802 4.594 136 HD1 PHE 22 HD1 PHE 22 -2.043 -3.387 2.275 137 HD2 PHE 22 HD2 PHE 22 -3.120 -2.214 6.222 138 HE1 PHE 22 HE1 PHE 22 0.228 -2.510 2.630 139 HE2 PHE 22 HE2 PHE 22 -0.850 -1.334 6.583 140 HZ PHE 22 HZ PHE 22 0.827 -1.481 4.785 141 H GLY 23 H GLY 23 -6.393 -4.410 5.712 142 HA2 GLY 23 1HA GLY 23 -8.041 -6.256 4.141 143 HA3 GLY 23 2HA GLY 23 -8.462 -5.570 5.703 144 H ASP 24 H ASP 24 -8.111 -2.890 5.287 145 HA ASP 24 HA ASP 24 -10.153 -2.329 3.241 146 HB2 ASP 24 1HB ASP 24 -10.543 -1.880 5.790 147 HB3 ASP 24 2HB ASP 24 -9.544 -0.458 5.504 148 H ASN 25 H ASN 25 -9.812 -0.774 1.728 149 HA ASN 25 HA ASN 25 -7.279 -0.139 0.877 150 HB2 ASN 25 1HB ASN 25 -9.062 0.182 -0.648 151 HB3 ASN 25 2HB ASN 25 -9.911 1.267 0.449 152 HD21 ASN 25 1HD2 ASN 25 -9.705 3.356 0.098 153 HD22 ASN 25 2HD2 ASN 25 -8.467 4.109 -0.844 154 H SER 26 H SER 26 -9.376 1.718 3.035 155 HA SER 26 HA SER 26 -8.081 4.095 3.262 156 HB2 SER 26 1HB SER 26 -9.124 2.482 5.604 157 HB3 SER 26 2HB SER 26 -8.891 4.230 5.563 158 HG SER 26 HG SER 26 -10.712 2.705 4.010 159 H SER 27 H SER 27 -7.162 1.064 4.851 160 HA SER 27 HA SER 27 -5.056 2.027 6.401 161 HB2 SER 27 1HB SER 27 -5.752 -0.639 5.244 162 HB3 SER 27 2HB SER 27 -4.152 -0.422 5.951 163 HG SER 27 HG SER 27 -6.124 -1.095 7.309 164 H CYS 28 H CYS 28 -5.098 0.928 3.040 165 HA CYS 28 HA CYS 28 -2.297 1.135 2.635 166 HB2 CYS 28 1HB CYS 28 -4.016 -0.157 1.231 167 HB3 CYS 28 2HB CYS 28 -4.371 1.386 0.464 168 HG CYS 28 HG CYS 28 -1.358 -0.236 0.423 169 H THR 29 H THR 29 -4.968 3.222 1.522 170 HA THR 29 HA THR 29 -3.608 5.243 0.329 171 HB THR 29 HB THR 29 -5.386 6.805 1.109 172 HG1 THR 29 HG1 THR 29 -5.631 5.778 3.213 173 HG21 THR 29 3HG2 THR 29 -6.002 5.680 -0.826 174 HG22 THR 29 1HG2 THR 29 -7.329 5.294 0.269 175 HG23 THR 29 2HG2 THR 29 -6.053 4.112 -0.020 176 H GLN 30 H GLN 30 -3.969 4.733 3.801 177 HA GLN 30 HA GLN 30 -2.545 7.165 4.449 178 HB2 GLN 30 1HB GLN 30 -4.160 6.687 6.051 179 HB3 GLN 30 2HB GLN 30 -3.816 4.963 6.030 180 HG2 GLN 30 1HG GLN 30 -3.030 5.765 8.094 181 HG3 GLN 30 2HG GLN 30 -1.602 5.508 7.094 182 HE21 GLN 30 1HE2 GLN 30 -0.945 7.510 5.817 183 HE22 GLN 30 2HE2 GLN 30 -0.950 9.001 6.689 184 H HIS 31 H HIS 31 -1.974 3.686 4.992 185 HA HIS 31 HA HIS 31 0.507 3.703 6.084 186 HB2 HIS 31 1HB HIS 31 -0.699 1.636 5.643 187 HB3 HIS 31 2HB HIS 31 -0.484 1.849 3.908 188 HD1 HIS 31 HD1 HIS 31 1.520 1.118 7.028 189 HD2 HIS 31 HD2 HIS 31 1.861 0.853 2.896 190 HE1 HIS 31 HE1 HIS 31 3.644 -0.162 6.610 191 H GLN 32 H GLN 32 -0.255 4.131 2.656 192 HA GLN 32 HA GLN 32 2.317 4.101 1.611 193 HB2 GLN 32 1HB GLN 32 -0.169 5.582 0.778 194 HB3 GLN 32 2HB GLN 32 1.327 5.692 -0.140 195 HG2 GLN 32 1HG GLN 32 0.171 3.020 0.515 196 HG3 GLN 32 2HG GLN 32 -0.485 3.969 -0.817 197 HE21 GLN 32 1HE2 GLN 32 1.592 5.070 -2.011 198 HE22 GLN 32 2HE2 GLN 32 2.710 3.883 -2.583 199 H ARG 33 H ARG 33 0.470 6.842 2.914 200 HA ARG 33 HA ARG 33 2.248 8.889 2.405 201 HB2 ARG 33 1HB ARG 33 -0.118 8.819 3.597 202 HB3 ARG 33 2HB ARG 33 0.871 8.840 5.051 203 HG2 ARG 33 1HG ARG 33 0.430 11.078 4.688 204 HG3 ARG 33 2HG ARG 33 2.027 10.872 3.965 205 HD2 ARG 33 1HD ARG 33 1.063 10.732 1.762 206 HD3 ARG 33 2HD ARG 33 -0.567 10.759 2.434 207 HE ARG 33 HE ARG 33 0.815 13.068 3.251 208 HH11 ARG 33 1HH1 ARG 33 -0.578 11.628 0.404 209 HH12 ARG 33 2HH1 ARG 33 -0.913 13.147 -0.360 210 HH21 ARG 33 1HH2 ARG 33 0.380 15.074 2.256 211 HH22 ARG 33 2HH2 ARG 33 -0.367 15.106 0.695 212 H LEU 34 H LEU 34 2.252 6.572 5.072 213 HA LEU 34 HA LEU 34 4.297 7.714 6.602 214 HB2 LEU 34 1HB LEU 34 3.674 4.783 6.281 215 HB3 LEU 34 2HB LEU 34 4.550 5.528 7.617 216 HG LEU 34 HG LEU 34 1.652 6.067 6.979 217 HD11 LEU 34 1HD1 LEU 34 1.135 4.149 7.957 218 HD12 LEU 34 2HD1 LEU 34 1.975 4.672 9.417 219 HD13 LEU 34 3HD1 LEU 34 2.845 3.776 8.172 220 HD21 LEU 34 3HD2 LEU 34 1.602 7.445 8.773 221 HD22 LEU 34 1HD2 LEU 34 3.308 7.642 8.372 222 HD23 LEU 34 2HD2 LEU 34 2.826 6.528 9.652 223 H HIS 35 H HIS 35 4.420 5.442 3.897 224 HA HIS 35 HA HIS 35 7.149 4.834 3.996 225 HB2 HIS 35 1HB HIS 35 5.033 4.736 1.907 226 HB3 HIS 35 2HB HIS 35 6.706 4.638 1.366 227 HD1 HIS 35 HD1 HIS 35 8.030 2.512 1.985 228 HD2 HIS 35 HD2 HIS 35 4.099 2.509 3.328 229 HE1 HIS 35 HE1 HIS 35 7.566 0.146 2.701 230 H THR 36 H THR 36 5.432 7.548 2.562 231 HA THR 36 HA THR 36 7.276 8.687 0.919 232 HB THR 36 HB THR 36 5.655 10.247 2.940 233 HG1 THR 36 HG1 THR 36 4.967 8.889 0.590 234 HG21 THR 36 3HG2 THR 36 7.529 11.137 1.107 235 HG22 THR 36 1HG2 THR 36 6.260 12.108 1.853 236 HG23 THR 36 2HG2 THR 36 5.990 11.366 0.276 237 H GLY 37 H GLY 37 7.113 9.182 4.449 238 HA2 GLY 37 1HA GLY 37 9.832 9.069 4.941 239 HA3 GLY 37 2HA GLY 37 9.489 10.748 4.551 240 H GLN 38 H GLN 38 8.872 8.141 6.811 241 HA GLN 38 HA GLN 38 8.044 10.157 8.789 242 HB2 GLN 38 1HB GLN 38 6.248 8.485 7.842 243 HB3 GLN 38 2HB GLN 38 7.011 7.354 8.952 244 HG2 GLN 38 1HG GLN 38 5.662 9.953 9.626 245 HG3 GLN 38 2HG GLN 38 5.143 8.324 10.054 246 HE21 GLN 38 1HE2 GLN 38 5.857 7.443 11.894 247 HE22 GLN 38 2HE2 GLN 38 7.020 8.162 12.950 248 H ARG 39 H ARG 39 10.624 9.698 8.710 249 HA ARG 39 HA ARG 39 11.373 7.461 10.390 250 HB2 ARG 39 1HB ARG 39 12.894 9.662 9.018 251 HB3 ARG 39 2HB ARG 39 13.672 8.629 10.210 252 HG2 ARG 39 1HG ARG 39 13.395 6.709 8.886 253 HG3 ARG 39 2HG ARG 39 12.228 7.508 7.831 254 HD2 ARG 39 1HD ARG 39 14.086 9.076 7.163 255 HD3 ARG 39 2HD ARG 39 15.191 8.006 8.025 256 HE ARG 39 HE ARG 39 13.903 7.505 5.487 257 HH11 ARG 39 1HH1 ARG 39 15.572 6.142 8.221 258 HH12 ARG 39 2HH1 ARG 39 16.079 4.721 7.368 259 HH21 ARG 39 1HH2 ARG 39 14.565 5.640 4.353 260 HH22 ARG 39 2HH2 ARG 39 15.506 4.437 5.168 261 HA PRO 40 HA PRO 40 11.082 9.569 14.243 262 HB2 PRO 40 1HB PRO 40 12.862 8.102 15.675 263 HB3 PRO 40 2HB PRO 40 11.265 7.497 15.219 264 HG2 PRO 40 1HG PRO 40 13.922 6.984 13.939 265 HG3 PRO 40 2HG PRO 40 12.608 5.845 14.284 266 HD2 PRO 40 1HD PRO 40 13.021 6.891 11.821 267 HD3 PRO 40 2HD PRO 40 11.403 6.477 12.423 268 H SER 41 H SER 41 12.505 10.596 15.928 269 HA SER 41 HA SER 41 14.868 11.794 14.640 270 HB2 SER 41 1HB SER 41 12.827 12.948 16.531 271 HB3 SER 41 2HB SER 41 14.411 13.696 16.322 272 HG SER 41 HG SER 41 13.679 14.545 14.559 273 H GLY 42 H GLY 42 16.745 11.199 15.484 274 HA2 GLY 42 1HA GLY 42 16.814 10.008 18.148 275 HA3 GLY 42 2HA GLY 42 18.108 9.974 16.959 276 HA PRO 43 HA PRO 43 20.157 13.081 19.291 277 HB2 PRO 43 1HB PRO 43 21.777 14.088 17.359 278 HB3 PRO 43 2HB PRO 43 22.046 12.512 18.114 279 HG2 PRO 43 1HG PRO 43 20.763 13.160 15.487 280 HG3 PRO 43 2HG PRO 43 21.922 11.876 15.880 281 HD2 PRO 43 1HD PRO 43 19.262 11.420 15.652 282 HD3 PRO 43 2HD PRO 43 20.295 10.509 16.773 283 H SER 44 H SER 44 18.570 14.585 19.789 284 HA SER 44 HA SER 44 18.711 17.073 18.384 285 HB2 SER 44 1HB SER 44 17.040 15.698 17.040 286 HB3 SER 44 2HB SER 44 15.985 15.775 18.451 287 HG SER 44 HG SER 44 15.443 17.478 17.148 288 H SER 45 H SER 45 18.414 18.693 19.783 289 HA SER 45 HA SER 45 16.896 18.163 22.247 290 HB2 SER 45 1HB SER 45 19.373 18.031 22.639 291 HB3 SER 45 2HB SER 45 19.490 19.719 22.142 292 HG SER 45 HG SER 45 18.340 20.326 23.910 293 H GLY 46 H GLY 46 15.604 19.792 22.958 294 HA2 GLY 46 1HA GLY 46 15.564 22.394 22.912 295 HA3 GLY 46 2HA GLY 46 15.392 22.123 21.184 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -5.497 -32.720 9.063 2 HA2 GLY 1 1HA GLY 1 -3.184 -32.125 7.998 3 HA3 GLY 1 2HA GLY 1 -3.802 -33.146 6.708 4 H SER 2 H SER 2 -3.893 -30.045 8.185 5 HA SER 2 HA SER 2 -6.222 -29.116 6.770 6 HB2 SER 2 1HB SER 2 -4.100 -27.500 8.202 7 HB3 SER 2 2HB SER 2 -5.705 -26.943 7.728 8 HG SER 2 HG SER 2 -5.829 -27.519 9.859 9 H SER 3 H SER 3 -6.293 -28.390 4.753 10 HA SER 3 HA SER 3 -4.177 -28.493 2.972 11 HB2 SER 3 1HB SER 3 -5.602 -27.142 1.456 12 HB3 SER 3 2HB SER 3 -6.499 -28.451 2.226 13 HG SER 3 HG SER 3 -7.314 -26.920 3.709 14 H GLY 4 H GLY 4 -3.397 -26.551 1.643 15 HA2 GLY 4 1HA GLY 4 -2.185 -24.683 3.517 16 HA3 GLY 4 2HA GLY 4 -1.749 -24.899 1.828 17 H SER 5 H SER 5 -1.821 -22.392 2.531 18 HA SER 5 HA SER 5 -4.393 -21.395 1.498 19 HB2 SER 5 1HB SER 5 -3.859 -20.978 4.012 20 HB3 SER 5 2HB SER 5 -2.723 -19.776 3.401 21 HG SER 5 HG SER 5 -5.372 -19.577 3.678 22 H SER 6 H SER 6 -2.267 -22.021 -0.159 23 HA SER 6 HA SER 6 -0.754 -19.617 -0.707 24 HB2 SER 6 1HB SER 6 0.307 -21.797 -1.036 25 HB3 SER 6 2HB SER 6 -0.926 -22.237 -2.217 26 HG SER 6 HG SER 6 1.340 -20.937 -2.636 27 H GLY 7 H GLY 7 -1.390 -18.014 -1.985 28 HA2 GLY 7 1HA GLY 7 -3.758 -18.437 -3.674 29 HA3 GLY 7 2HA GLY 7 -3.170 -16.882 -3.106 30 H THR 8 H THR 8 -3.577 -18.595 -5.800 31 HA THR 8 HA THR 8 -1.105 -18.438 -7.145 32 HB THR 8 HB THR 8 -2.841 -19.848 -8.036 33 HG1 THR 8 HG1 THR 8 -2.752 -17.812 -9.971 34 HG21 THR 8 3HG2 THR 8 -4.417 -17.293 -8.193 35 HG22 THR 8 1HG2 THR 8 -4.861 -18.817 -7.425 36 HG23 THR 8 2HG2 THR 8 -4.824 -18.693 -9.184 37 H GLY 9 H GLY 9 -3.732 -16.135 -6.723 38 HA2 GLY 9 1HA GLY 9 -2.666 -13.781 -6.737 39 HA3 GLY 9 2HA GLY 9 -2.293 -14.195 -8.404 40 H GLU 10 H GLU 10 -4.956 -13.748 -6.118 41 HA GLU 10 HA GLU 10 -6.623 -12.878 -8.382 42 HB2 GLU 10 1HB GLU 10 -7.353 -15.105 -7.644 43 HB3 GLU 10 2HB GLU 10 -7.543 -14.502 -6.003 44 HG2 GLU 10 1HG GLU 10 -9.160 -12.792 -7.115 45 HG3 GLU 10 2HG GLU 10 -9.210 -13.978 -8.417 46 H LYS 11 H LYS 11 -6.129 -12.748 -4.874 47 HA LYS 11 HA LYS 11 -7.080 -9.966 -4.926 48 HB2 LYS 11 1HB LYS 11 -7.971 -10.459 -2.560 49 HB3 LYS 11 2HB LYS 11 -8.912 -11.027 -3.933 50 HG2 LYS 11 1HG LYS 11 -6.913 -12.870 -2.733 51 HG3 LYS 11 2HG LYS 11 -8.422 -12.575 -1.866 52 HD2 LYS 11 1HD LYS 11 -8.567 -13.203 -4.771 53 HD3 LYS 11 2HD LYS 11 -8.199 -14.517 -3.651 54 HE2 LYS 11 1HE LYS 11 -10.564 -12.666 -3.383 55 HE3 LYS 11 2HE LYS 11 -10.626 -14.248 -4.159 56 HZ1 LYS 11 3HZ LYS 11 -10.094 -15.307 -2.121 57 HZ2 LYS 11 1HZ LYS 11 -11.339 -14.211 -1.787 58 HZ3 LYS 11 2HZ LYS 11 -9.747 -13.839 -1.356 59 HA PRO 12 HA PRO 12 -2.875 -10.479 -2.930 60 HB2 PRO 12 1HB PRO 12 -1.612 -8.658 -4.497 61 HB3 PRO 12 2HB PRO 12 -1.753 -10.366 -4.931 62 HG2 PRO 12 1HG PRO 12 -3.383 -8.033 -5.862 63 HG3 PRO 12 2HG PRO 12 -2.732 -9.389 -6.801 64 HD2 PRO 12 1HD PRO 12 -5.315 -9.281 -5.997 65 HD3 PRO 12 2HD PRO 12 -4.430 -10.811 -6.161 66 H TYR 13 H TYR 13 -4.187 -7.435 -4.260 67 HA TYR 13 HA TYR 13 -4.011 -5.293 -3.382 68 HB2 TYR 13 1HB TYR 13 -5.351 -6.411 -0.959 69 HB3 TYR 13 2HB TYR 13 -5.760 -4.986 -1.908 70 HD1 TYR 13 HD2 TYR 13 -5.737 -6.405 -4.629 71 HD2 TYR 13 HD1 TYR 13 -7.524 -7.386 -0.894 72 HE1 TYR 13 HE2 TYR 13 -7.477 -7.685 -5.804 73 HE2 TYR 13 HE1 TYR 13 -9.268 -8.670 -2.059 74 HH TYR 13 HH TYR 13 -10.045 -9.369 -4.014 75 H LYS 14 H LYS 14 -1.566 -6.197 -3.000 76 HA LYS 14 HA LYS 14 -0.940 -5.682 -0.168 77 HB2 LYS 14 1HB LYS 14 0.271 -7.470 -2.214 78 HB3 LYS 14 2HB LYS 14 1.360 -6.714 -1.058 79 HG2 LYS 14 1HG LYS 14 -1.071 -8.056 -0.009 80 HG3 LYS 14 2HG LYS 14 0.252 -9.063 -0.601 81 HD2 LYS 14 1HD LYS 14 0.916 -6.819 1.233 82 HD3 LYS 14 2HD LYS 14 0.134 -8.246 1.917 83 HE2 LYS 14 1HE LYS 14 2.445 -8.642 2.118 84 HE3 LYS 14 2HE LYS 14 1.924 -9.607 0.738 85 HZ1 LYS 14 3HZ LYS 14 4.028 -8.009 0.665 86 HZ2 LYS 14 1HZ LYS 14 2.847 -6.909 0.159 87 HZ3 LYS 14 2HZ LYS 14 3.090 -8.344 -0.702 88 H CYS 15 H CYS 15 1.278 -4.664 0.133 89 HA CYS 15 HA CYS 15 1.360 -2.250 -1.461 90 HB2 CYS 15 1HB CYS 15 1.584 -2.084 0.966 91 HB3 CYS 15 2HB CYS 15 3.009 -3.117 0.923 92 H MET 16 H MET 16 3.125 -1.511 -2.655 93 HA MET 16 HA MET 16 4.824 -3.642 -3.702 94 HB2 MET 16 1HB MET 16 3.528 -2.177 -5.254 95 HB3 MET 16 2HB MET 16 4.492 -0.812 -4.708 96 HG2 MET 16 1HG MET 16 5.522 -1.436 -6.679 97 HG3 MET 16 2HG MET 16 6.515 -2.206 -5.444 98 HE1 MET 16 3HE MET 16 7.083 -5.185 -7.398 99 HE2 MET 16 1HE MET 16 6.945 -3.739 -8.397 100 HE3 MET 16 2HE MET 16 7.647 -3.631 -6.783 101 H GLU 17 H GLU 17 5.049 -0.484 -2.143 102 HA GLU 17 HA GLU 17 7.789 -0.067 -2.318 103 HB2 GLU 17 1HB GLU 17 5.965 0.654 -0.016 104 HB3 GLU 17 2HB GLU 17 7.544 1.359 -0.335 105 HG2 GLU 17 1HG GLU 17 5.396 1.491 -2.405 106 HG3 GLU 17 2HG GLU 17 5.402 2.621 -1.052 107 H CYS 18 H CYS 18 6.009 -1.551 0.396 108 HA CYS 18 HA CYS 18 8.482 -2.998 1.090 109 HB2 CYS 18 1HB CYS 18 7.796 -2.903 3.440 110 HB3 CYS 18 2HB CYS 18 7.955 -1.284 2.768 111 H GLY 19 H GLY 19 4.932 -3.077 1.249 112 HA2 GLY 19 1HA GLY 19 3.680 -4.962 0.485 113 HA3 GLY 19 2HA GLY 19 5.069 -5.982 0.827 114 H LYS 20 H LYS 20 2.043 -5.181 1.844 115 HA LYS 20 HA LYS 20 2.354 -6.626 4.306 116 HB2 LYS 20 1HB LYS 20 2.989 -4.173 4.788 117 HB3 LYS 20 2HB LYS 20 1.277 -3.829 4.578 118 HG2 LYS 20 1HG LYS 20 0.733 -5.367 6.387 119 HG3 LYS 20 2HG LYS 20 2.446 -5.744 6.588 120 HD2 LYS 20 1HD LYS 20 2.926 -3.694 7.517 121 HD3 LYS 20 2HD LYS 20 1.567 -2.896 6.721 122 HE2 LYS 20 1HE LYS 20 0.057 -3.591 8.305 123 HE3 LYS 20 2HE LYS 20 1.003 -5.014 8.737 124 HZ1 LYS 20 3HZ LYS 20 1.676 -3.845 10.485 125 HZ2 LYS 20 1HZ LYS 20 1.045 -2.397 9.877 126 HZ3 LYS 20 2HZ LYS 20 2.594 -2.902 9.422 127 H ALA 21 H ALA 21 0.363 -7.289 5.205 128 HA ALA 21 HA ALA 21 -1.792 -7.375 3.281 129 HB1 ALA 21 3HB ALA 21 -2.761 -9.047 4.649 130 HB2 ALA 21 1HB ALA 21 -1.022 -9.346 4.653 131 HB3 ALA 21 2HB ALA 21 -1.788 -8.572 6.041 132 H PHE 22 H PHE 22 -3.489 -6.063 3.249 133 HA PHE 22 HA PHE 22 -4.198 -4.618 5.716 134 HB2 PHE 22 1HB PHE 22 -4.065 -3.585 2.884 135 HB3 PHE 22 2HB PHE 22 -4.950 -2.749 4.156 136 HD1 PHE 22 HD2 PHE 22 -3.730 -1.832 6.106 137 HD2 PHE 22 HD1 PHE 22 -1.707 -3.470 2.739 138 HE1 PHE 22 HE2 PHE 22 -1.658 -0.706 6.808 139 HE2 PHE 22 HE1 PHE 22 0.368 -2.348 3.435 140 HZ PHE 22 HZ PHE 22 0.395 -0.963 5.472 141 H GLY 23 H GLY 23 -6.210 -4.962 6.385 142 HA2 GLY 23 1HA GLY 23 -8.053 -6.412 4.670 143 HA3 GLY 23 2HA GLY 23 -8.276 -6.050 6.376 144 H ASP 24 H ASP 24 -7.375 -3.477 4.259 145 HA ASP 24 HA ASP 24 -10.022 -2.651 3.573 146 HB2 ASP 24 1HB ASP 24 -9.991 -0.560 4.949 147 HB3 ASP 24 2HB ASP 24 -10.173 -2.035 5.894 148 H ASN 25 H ASN 25 -10.043 -0.591 2.419 149 HA ASN 25 HA ASN 25 -7.547 -0.215 0.969 150 HB2 ASN 25 1HB ASN 25 -10.392 0.649 0.488 151 HB3 ASN 25 2HB ASN 25 -9.059 1.313 -0.453 152 HD21 ASN 25 1HD2 ASN 25 -7.605 -0.344 -1.455 153 HD22 ASN 25 2HD2 ASN 25 -8.359 -1.742 -2.134 154 H SER 26 H SER 26 -9.719 1.545 3.091 155 HA SER 26 HA SER 26 -8.877 4.138 2.786 156 HB2 SER 26 1HB SER 26 -9.467 2.803 5.438 157 HB3 SER 26 2HB SER 26 -9.576 4.527 5.084 158 HG SER 26 HG SER 26 -11.622 3.606 4.954 159 H SER 27 H SER 27 -7.514 1.814 5.126 160 HA SER 27 HA SER 27 -5.392 3.428 5.970 161 HB2 SER 27 1HB SER 27 -5.602 0.409 5.890 162 HB3 SER 27 2HB SER 27 -4.361 1.304 6.767 163 HG SER 27 HG SER 27 -6.793 0.675 7.587 164 H CYS 28 H CYS 28 -5.391 0.796 3.568 165 HA CYS 28 HA CYS 28 -2.863 0.642 2.740 166 HB2 CYS 28 1HB CYS 28 -4.763 -0.506 1.642 167 HB3 CYS 28 2HB CYS 28 -5.182 0.998 0.831 168 HG CYS 28 HG CYS 28 -2.191 0.763 -0.040 169 H THR 29 H THR 29 -5.044 3.293 1.858 170 HA THR 29 HA THR 29 -3.284 4.677 0.171 171 HB THR 29 HB THR 29 -5.514 5.766 1.900 172 HG1 THR 29 HG1 THR 29 -6.403 5.792 -0.431 173 HG21 THR 29 3HG2 THR 29 -4.146 7.617 1.321 174 HG22 THR 29 1HG2 THR 29 -5.491 7.627 0.182 175 HG23 THR 29 2HG2 THR 29 -3.913 7.023 -0.322 176 H GLN 30 H GLN 30 -4.031 5.278 3.609 177 HA GLN 30 HA GLN 30 -2.134 7.300 3.994 178 HB2 GLN 30 1HB GLN 30 -3.270 5.329 5.985 179 HB3 GLN 30 2HB GLN 30 -2.362 6.774 6.412 180 HG2 GLN 30 1HG GLN 30 -4.079 8.177 5.903 181 HG3 GLN 30 2HG GLN 30 -4.743 7.100 4.676 182 HE21 GLN 30 1HE2 GLN 30 -6.708 6.513 5.232 183 HE22 GLN 30 2HE2 GLN 30 -7.226 6.047 6.812 184 H HIS 31 H HIS 31 -1.855 3.811 4.090 185 HA HIS 31 HA HIS 31 0.559 3.509 5.421 186 HB2 HIS 31 1HB HIS 31 -0.732 1.572 4.846 187 HB3 HIS 31 2HB HIS 31 -0.617 1.934 3.127 188 HD1 HIS 31 HD1 HIS 31 1.732 1.063 5.992 189 HD2 HIS 31 HD2 HIS 31 1.367 0.581 1.882 190 HE1 HIS 31 HE1 HIS 31 3.667 -0.392 5.311 191 H GLN 32 H GLN 32 -0.084 4.731 2.240 192 HA GLN 32 HA GLN 32 2.377 4.351 0.998 193 HB2 GLN 32 1HB GLN 32 0.239 5.268 -0.019 194 HB3 GLN 32 2HB GLN 32 0.675 6.821 0.682 195 HG2 GLN 32 1HG GLN 32 2.887 6.555 -0.576 196 HG3 GLN 32 2HG GLN 32 2.064 5.286 -1.481 197 HE21 GLN 32 1HE2 GLN 32 2.989 8.304 -1.778 198 HE22 GLN 32 2HE2 GLN 32 1.705 8.968 -2.724 199 H ARG 33 H ARG 33 1.321 7.458 2.391 200 HA ARG 33 HA ARG 33 3.898 8.560 2.502 201 HB2 ARG 33 1HB ARG 33 2.914 10.284 3.929 202 HB3 ARG 33 2HB ARG 33 1.861 9.921 2.569 203 HG2 ARG 33 1HG ARG 33 0.746 8.277 4.287 204 HG3 ARG 33 2HG ARG 33 1.483 9.366 5.464 205 HD2 ARG 33 1HD ARG 33 -0.525 10.412 5.182 206 HD3 ARG 33 2HD ARG 33 0.403 11.207 3.911 207 HE ARG 33 HE ARG 33 -0.995 8.837 3.055 208 HH11 ARG 33 1HH1 ARG 33 -1.172 12.284 3.509 209 HH12 ARG 33 2HH1 ARG 33 -2.439 12.504 2.349 210 HH21 ARG 33 1HH2 ARG 33 -2.664 9.113 1.525 211 HH22 ARG 33 2HH2 ARG 33 -3.288 10.699 1.222 212 H LEU 34 H LEU 34 2.069 6.656 4.816 213 HA LEU 34 HA LEU 34 3.425 7.058 7.156 214 HB2 LEU 34 1HB LEU 34 2.096 4.696 5.937 215 HB3 LEU 34 2HB LEU 34 3.066 4.442 7.387 216 HG LEU 34 HG LEU 34 0.669 6.259 7.136 217 HD11 LEU 34 1HD1 LEU 34 0.871 3.484 7.601 218 HD12 LEU 34 2HD1 LEU 34 -0.558 4.510 7.716 219 HD13 LEU 34 3HD1 LEU 34 0.451 4.242 9.137 220 HD21 LEU 34 3HD2 LEU 34 1.688 7.365 8.805 221 HD22 LEU 34 1HD2 LEU 34 2.804 6.041 9.139 222 HD23 LEU 34 2HD2 LEU 34 1.165 5.997 9.790 223 H HIS 35 H HIS 35 4.626 5.652 4.261 224 HA HIS 35 HA HIS 35 6.676 4.021 5.216 225 HB2 HIS 35 1HB HIS 35 6.165 5.505 2.689 226 HB3 HIS 35 2HB HIS 35 7.805 4.927 2.967 227 HD1 HIS 35 HD1 HIS 35 8.208 2.401 2.839 228 HD2 HIS 35 HD2 HIS 35 4.233 3.485 2.302 229 HE1 HIS 35 HE1 HIS 35 7.055 0.332 1.994 230 H THR 36 H THR 36 6.549 7.508 4.751 231 HA THR 36 HA THR 36 9.208 8.192 4.991 232 HB THR 36 HB THR 36 7.435 9.833 4.533 233 HG1 THR 36 HG1 THR 36 8.732 11.322 5.299 234 HG21 THR 36 3HG2 THR 36 6.733 10.411 7.279 235 HG22 THR 36 1HG2 THR 36 6.243 8.780 6.823 236 HG23 THR 36 2HG2 THR 36 5.686 10.163 5.882 237 H GLY 37 H GLY 37 10.612 7.471 6.458 238 HA2 GLY 37 1HA GLY 37 11.587 7.514 8.596 239 HA3 GLY 37 2HA GLY 37 10.011 7.877 9.283 240 H GLN 38 H GLN 38 9.172 6.307 10.468 241 HA GLN 38 HA GLN 38 9.124 4.243 11.514 242 HB2 GLN 38 1HB GLN 38 7.362 4.321 9.680 243 HB3 GLN 38 2HB GLN 38 8.457 3.338 8.716 244 HG2 GLN 38 1HG GLN 38 8.433 1.776 10.805 245 HG3 GLN 38 2HG GLN 38 6.930 2.621 11.170 246 HE21 GLN 38 1HE2 GLN 38 7.727 -0.173 10.202 247 HE22 GLN 38 2HE2 GLN 38 6.637 -0.470 8.895 248 H ARG 39 H ARG 39 11.708 4.631 11.275 249 HA ARG 39 HA ARG 39 12.910 2.440 9.771 250 HB2 ARG 39 1HB ARG 39 15.061 3.470 10.722 251 HB3 ARG 39 2HB ARG 39 14.162 4.408 9.537 252 HG2 ARG 39 1HG ARG 39 13.570 4.858 12.410 253 HG3 ARG 39 2HG ARG 39 15.085 5.486 11.757 254 HD2 ARG 39 1HD ARG 39 12.583 5.986 10.232 255 HD3 ARG 39 2HD ARG 39 12.846 6.900 11.716 256 HE ARG 39 HE ARG 39 14.091 7.359 9.233 257 HH11 ARG 39 1HH1 ARG 39 14.807 7.254 12.638 258 HH12 ARG 39 2HH1 ARG 39 16.113 8.387 12.532 259 HH21 ARG 39 1HH2 ARG 39 15.809 8.852 9.079 260 HH22 ARG 39 2HH2 ARG 39 16.681 9.296 10.507 261 HA PRO 40 HA PRO 40 13.141 -0.284 13.220 262 HB2 PRO 40 1HB PRO 40 15.243 -1.809 12.430 263 HB3 PRO 40 2HB PRO 40 13.640 -1.929 11.696 264 HG2 PRO 40 1HG PRO 40 16.066 -0.472 10.719 265 HG3 PRO 40 2HG PRO 40 14.916 -1.468 9.807 266 HD2 PRO 40 1HD PRO 40 14.821 1.238 9.804 267 HD3 PRO 40 2HD PRO 40 13.365 0.230 9.662 268 H SER 41 H SER 41 13.830 1.547 14.615 269 HA SER 41 HA SER 41 15.358 2.722 15.894 270 HB2 SER 41 1HB SER 41 14.839 0.639 17.145 271 HB3 SER 41 2HB SER 41 16.243 -0.129 16.404 272 HG SER 41 HG SER 41 16.545 2.301 17.781 273 H GLY 42 H GLY 42 16.258 2.706 13.254 274 HA2 GLY 42 1HA GLY 42 19.097 2.010 13.365 275 HA3 GLY 42 2HA GLY 42 18.209 2.521 11.937 276 HA PRO 43 HA PRO 43 20.507 6.077 14.233 277 HB2 PRO 43 1HB PRO 43 22.948 5.975 13.048 278 HB3 PRO 43 2HB PRO 43 22.577 5.136 14.560 279 HG2 PRO 43 1HG PRO 43 22.673 4.058 11.769 280 HG3 PRO 43 2HG PRO 43 23.298 3.343 13.266 281 HD2 PRO 43 1HD PRO 43 20.952 2.574 12.152 282 HD3 PRO 43 2HD PRO 43 21.225 2.563 13.907 283 H SER 44 H SER 44 21.239 5.009 10.905 284 HA SER 44 HA SER 44 20.534 7.716 9.978 285 HB2 SER 44 1HB SER 44 22.930 6.642 9.627 286 HB3 SER 44 2HB SER 44 22.128 5.850 8.271 287 HG SER 44 HG SER 44 21.725 8.589 8.566 288 H SER 45 H SER 45 20.636 4.377 8.719 289 HA SER 45 HA SER 45 19.261 3.259 7.285 290 HB2 SER 45 1HB SER 45 16.951 3.218 7.877 291 HB3 SER 45 2HB SER 45 17.838 3.499 9.376 292 HG SER 45 HG SER 45 15.898 4.941 8.469 293 H GLY 46 H GLY 46 20.443 5.465 6.111 294 HA2 GLY 46 1HA GLY 46 18.276 6.462 4.363 295 HA3 GLY 46 2HA GLY 46 19.673 7.434 4.802
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