NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
612119 | 5wuz | 36040 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLN 1 HT1 GLN 1 -2.303 -0.497 10.322 2 H2 GLN 1 HT2 GLN 1 -2.949 -2.053 10.169 3 H3 GLN 1 HT3 GLN 1 -3.774 -0.880 11.064 4 HA GLN 1 HA GLN 1 -3.267 -0.783 8.149 5 HB2 GLN 1 HB2 GLN 1 -5.724 -1.470 9.761 6 HB3 GLN 1 HB1 GLN 1 -5.811 -0.977 8.076 7 HG2 GLN 1 HG2 GLN 1 -4.428 -2.877 7.437 8 HG3 GLN 1 HG1 GLN 1 -4.307 -3.364 9.127 9 HE21 GLN 1 HE21 GLN 1 -6.102 -4.248 10.153 10 HE22 GLN 1 HE22 GLN 1 -7.458 -4.854 9.270 11 H ASN 2 HN ASN 2 -3.729 1.090 7.146 12 HA ASN 2 HA ASN 2 -4.960 3.259 8.700 13 HB2 ASN 2 HB2 ASN 2 -2.227 3.146 7.821 14 HB3 ASN 2 HB1 ASN 2 -3.048 4.443 6.959 15 HD21 ASN 2 HD21 ASN 2 -2.087 3.229 10.081 16 HD22 ASN 2 HD22 ASN 2 -2.306 4.708 10.946 17 H CYS 3 HN CYS 3 -4.647 1.586 5.716 18 HA CYS 3 HA CYS 3 -6.858 2.894 4.526 19 HB2 CYS 3 HB2 CYS 3 -5.711 4.719 3.782 20 HB3 CYS 3 HB1 CYS 3 -4.158 3.926 3.937 21 H GLY 4 HN GLY 4 -6.786 2.297 1.974 22 HA2 GLY 4 HA2 GLY 4 -5.866 0.554 0.462 23 HA3 GLY 4 HA1 GLY 4 -5.985 -0.539 1.826 24 H ARG 5 HN ARG 5 -7.201 -1.787 0.158 25 HA ARG 5 HA ARG 5 -9.773 -0.905 -0.731 26 HB2 ARG 5 HB2 ARG 5 -8.853 -3.773 -0.625 27 HB3 ARG 5 HB1 ARG 5 -10.009 -3.046 -1.732 28 HG2 ARG 5 HG2 ARG 5 -8.086 -1.658 -2.609 29 HG3 ARG 5 HG1 ARG 5 -7.028 -2.722 -1.681 30 HD2 ARG 5 HD2 ARG 5 -7.073 -3.614 -3.868 31 HD3 ARG 5 HD1 ARG 5 -8.119 -4.654 -2.904 32 HE ARG 5 HE ARG 5 -9.690 -2.655 -4.085 33 HH11 ARG 5 HH11 ARG 5 -7.854 -5.484 -5.067 34 HH12 ARG 5 HH12 ARG 5 -8.845 -5.787 -6.454 35 HH21 ARG 5 HH21 ARG 5 -10.974 -3.071 -5.905 36 HH22 ARG 5 HH22 ARG 5 -10.610 -4.421 -6.928 37 H GLN 6 HN GLN 6 -8.717 -1.988 2.221 38 HA GLN 6 HA GLN 6 -11.241 -3.272 2.982 39 HB2 GLN 6 HB2 GLN 6 -8.537 -3.136 4.277 40 HB3 GLN 6 HB1 GLN 6 -9.952 -3.638 5.189 41 HG2 GLN 6 HG2 GLN 6 -10.328 -5.464 3.622 42 HG3 GLN 6 HG1 GLN 6 -8.929 -4.953 2.682 43 HE21 GLN 6 HE21 GLN 6 -6.863 -5.293 3.502 44 HE22 GLN 6 HE22 GLN 6 -6.560 -6.383 4.808 45 H ALA 7 HN ALA 7 -9.534 -0.310 3.389 46 HA ALA 7 HA ALA 7 -11.193 0.547 5.642 47 HB1 ALA 7 HB1 ALA 7 -8.951 2.011 4.256 48 HB2 ALA 7 HB2 ALA 7 -8.761 0.981 5.674 49 HB3 ALA 7 HB3 ALA 7 -9.718 2.459 5.779 50 H GLY 8 HN GLY 8 -11.782 0.335 2.499 51 HA2 GLY 8 HA2 GLY 8 -13.602 1.315 1.362 52 HA3 GLY 8 HA1 GLY 8 -13.526 2.684 2.462 53 H ASN 9 HN ASN 9 -10.566 1.608 1.158 54 HA ASN 9 HA ASN 9 -9.006 2.446 -0.215 55 HB2 ASN 9 HB2 ASN 9 -11.428 3.254 -1.844 56 HB3 ASN 9 HB1 ASN 9 -9.773 3.465 -2.408 57 HD21 ASN 9 HD21 ASN 9 -12.277 1.186 -1.641 58 HD22 ASN 9 HD22 ASN 9 -11.545 -0.184 -2.398 59 H ARG 10 HN ARG 10 -8.291 3.839 1.390 60 HA ARG 10 HA ARG 10 -8.909 6.693 0.979 61 HB2 ARG 10 HB2 ARG 10 -7.995 5.160 3.418 62 HB3 ARG 10 HB1 ARG 10 -7.867 6.910 3.324 63 HG2 ARG 10 HG2 ARG 10 -10.290 7.069 3.014 64 HG3 ARG 10 HG1 ARG 10 -10.413 5.312 3.124 65 HD2 ARG 10 HD2 ARG 10 -9.506 5.390 5.394 66 HD3 ARG 10 HD1 ARG 10 -9.372 7.145 5.283 67 HE ARG 10 HE ARG 10 -12.026 6.399 4.754 68 HH11 ARG 10 HH11 ARG 10 -9.797 6.508 7.465 69 HH12 ARG 10 HH12 ARG 10 -11.056 6.702 8.640 70 HH21 ARG 10 HH21 ARG 10 -13.239 6.783 7.984 71 HH22 ARG 10 HH22 ARG 10 -13.656 6.653 6.308 72 H ALA 11 HN ALA 11 -6.547 7.616 2.409 73 HA ALA 11 HA ALA 11 -4.291 6.556 0.885 74 HB1 ALA 11 HB1 ALA 11 -5.187 8.359 -0.510 75 HB2 ALA 11 HB2 ALA 11 -3.586 8.756 0.115 76 HB3 ALA 11 HB3 ALA 11 -5.020 9.483 0.839 77 H CYS 12 HN CYS 12 -2.319 6.753 1.908 78 HA CYS 12 HA CYS 12 -2.427 7.796 4.653 79 HB2 CYS 12 HB2 CYS 12 -0.544 5.834 3.333 80 HB3 CYS 12 HB1 CYS 12 -0.323 6.446 4.970 81 H ALA 13 HN ALA 13 -1.572 9.696 5.066 82 HA ALA 13 HA ALA 13 0.767 10.611 3.535 83 HB1 ALA 13 HB1 ALA 13 -1.232 11.677 2.618 84 HB2 ALA 13 HB2 ALA 13 -0.159 12.850 3.383 85 HB3 ALA 13 HB3 ALA 13 -1.619 12.317 4.216 86 H ASN 14 HN ASN 14 0.364 9.471 6.302 87 HA ASN 14 HA ASN 14 1.102 11.727 7.995 88 HB2 ASN 14 HB2 ASN 14 0.373 8.874 8.636 89 HB3 ASN 14 HB1 ASN 14 0.968 10.002 9.851 90 HD21 ASN 14 HD21 ASN 14 -0.321 11.734 10.478 91 HD22 ASN 14 HD22 ASN 14 -2.014 11.786 10.140 92 H GLN 15 HN GLN 15 2.323 8.431 8.230 93 HA GLN 15 HA GLN 15 5.053 9.309 7.658 94 HB2 GLN 15 HB2 GLN 15 4.163 8.094 10.270 95 HB3 GLN 15 HB1 GLN 15 5.833 8.024 9.728 96 HG2 GLN 15 HG2 GLN 15 5.925 10.463 9.678 97 HG3 GLN 15 HG1 GLN 15 4.248 10.536 10.215 98 HE21 GLN 15 HE21 GLN 15 3.741 9.988 12.337 99 HE22 GLN 15 HE22 GLN 15 4.944 9.897 13.573 100 H LEU 16 HN LEU 16 2.664 6.854 7.851 101 HA LEU 16 HA LEU 16 4.529 4.770 6.986 102 HB2 LEU 16 HB2 LEU 16 2.479 3.260 7.267 103 HB3 LEU 16 HB1 LEU 16 3.192 3.914 8.724 104 HG LEU 16 HG LEU 16 0.814 5.248 7.461 105 HD11 LEU 16 HD11 LEU 16 0.106 2.976 7.670 106 HD12 LEU 16 HD12 LEU 16 -0.587 3.889 9.013 107 HD13 LEU 16 HD13 LEU 16 0.810 2.853 9.283 108 HD21 LEU 16 HD21 LEU 16 0.373 5.987 9.729 109 HD22 LEU 16 HD22 LEU 16 2.032 6.395 9.296 110 HD23 LEU 16 HD23 LEU 16 1.709 5.011 10.339 111 H CYS 17 HN CYS 17 2.717 3.145 5.471 112 HA CYS 17 HA CYS 17 1.830 4.836 3.301 113 HB2 CYS 17 HB2 CYS 17 3.409 2.742 2.109 114 HB3 CYS 17 HB1 CYS 17 3.480 4.476 1.840 115 H CYS 18 HN CYS 18 0.324 4.192 2.104 116 HA CYS 18 HA CYS 18 -0.917 1.598 2.602 117 HB2 CYS 18 HB2 CYS 18 -2.245 3.642 2.941 118 HB3 CYS 18 HB1 CYS 18 -1.975 4.086 1.266 119 H SER 19 HN SER 19 -1.770 0.367 0.912 120 HA SER 19 HA SER 19 -0.915 0.963 -1.811 121 HB2 SER 19 HB2 SER 19 -0.193 -1.436 -2.122 122 HB3 SER 19 HB1 SER 19 0.844 -0.521 -1.029 123 HG SER 19 HG SER 19 0.201 -2.641 -0.278 124 H GLN 20 HN GLN 20 -2.042 -0.489 -3.435 125 HA GLN 20 HA GLN 20 -4.841 -0.574 -2.851 126 HB2 GLN 20 HB2 GLN 20 -3.218 -1.383 -5.261 127 HB3 GLN 20 HB1 GLN 20 -4.957 -1.631 -5.186 128 HG2 GLN 20 HG2 GLN 20 -5.246 0.797 -4.821 129 HG3 GLN 20 HG1 GLN 20 -3.506 1.002 -5.022 130 HE21 GLN 20 HE21 GLN 20 -2.590 0.724 -7.058 131 HE22 GLN 20 HE22 GLN 20 -3.540 0.731 -8.501 132 H TYR 21 HN TYR 21 -4.875 -1.998 -1.072 133 HA TYR 21 HA TYR 21 -5.351 -4.747 -1.754 134 HB2 TYR 21 HB2 TYR 21 -3.014 -5.060 -1.429 135 HB3 TYR 21 HB1 TYR 21 -2.978 -3.966 -0.055 136 HD1 TYR 21 HD1 TYR 21 -3.967 -7.343 -1.163 137 HD2 TYR 21 HD2 TYR 21 -3.379 -4.760 2.160 138 HE1 TYR 21 HE1 TYR 21 -4.134 -9.273 0.350 139 HE2 TYR 21 HE2 TYR 21 -3.543 -6.684 3.688 140 HH TYR 21 HH TYR 21 -4.508 -8.947 3.704 141 H GLY 22 HN GLY 22 -4.667 -2.663 0.996 142 HA2 GLY 22 HA2 GLY 22 -6.923 -2.075 2.194 143 HA3 GLY 22 HA1 GLY 22 -6.915 -3.801 2.490 144 H PHE 23 HN PHE 23 -3.766 -2.650 2.396 145 HA PHE 23 HA PHE 23 -3.717 -2.249 5.297 146 HB2 PHE 23 HB2 PHE 23 -2.876 -4.550 4.286 147 HB3 PHE 23 HB1 PHE 23 -1.411 -3.621 4.018 148 HD1 PHE 23 HD1 PHE 23 -3.007 -5.758 6.211 149 HD2 PHE 23 HD2 PHE 23 -0.667 -2.199 6.208 150 HE1 PHE 23 HE1 PHE 23 -2.352 -6.189 8.542 151 HE2 PHE 23 HE2 PHE 23 -0.011 -2.628 8.540 152 HZ PHE 23 HZ PHE 23 -0.851 -4.625 9.708 153 H CYS 24 HN CYS 24 -2.391 -0.756 6.094 154 HA CYS 24 HA CYS 24 -0.434 0.581 4.372 155 HB2 CYS 24 HB2 CYS 24 -2.409 1.988 4.390 156 HB3 CYS 24 HB1 CYS 24 -2.519 1.881 6.135 157 H GLY 25 HN GLY 25 1.490 1.033 5.375 158 HA2 GLY 25 HA2 GLY 25 1.936 1.316 8.119 159 HA3 GLY 25 HA1 GLY 25 2.153 -0.377 7.723 160 H SER 26 HN SER 26 4.262 -0.808 7.640 161 HA SER 26 HA SER 26 5.983 0.947 6.020 162 HB2 SER 26 HB2 SER 26 6.613 -0.142 8.760 163 HB3 SER 26 HB1 SER 26 7.807 0.593 7.691 164 HG SER 26 HG SER 26 7.170 2.332 8.737 165 H THR 27 HN THR 27 5.045 -2.217 6.912 166 HA THR 27 HA THR 27 7.370 -3.670 6.215 167 HB THR 27 HB THR 27 4.600 -4.800 5.979 168 HG1 THR 27 HG1 THR 27 4.288 -4.173 7.974 169 HG21 THR 27 HG21 THR 27 6.473 -6.297 5.444 170 HG22 THR 27 HG22 THR 27 5.657 -6.812 6.921 171 HG23 THR 27 HG23 THR 27 7.196 -5.956 7.017 172 H SER 28 HN SER 28 7.571 -5.179 4.388 173 HA SER 28 HA SER 28 7.182 -3.805 1.892 174 HB2 SER 28 HB2 SER 28 9.269 -5.009 2.525 175 HB3 SER 28 HB1 SER 28 8.385 -6.527 2.380 176 HG SER 28 HG SER 28 7.891 -5.377 0.153 177 H GLU 29 HN GLU 29 4.760 -4.069 2.420 178 HA GLU 29 HA GLU 29 3.684 -6.011 0.557 179 HB2 GLU 29 HB2 GLU 29 2.861 -5.932 3.467 180 HB3 GLU 29 HB1 GLU 29 1.814 -6.583 2.217 181 HG2 GLU 29 HG2 GLU 29 4.596 -7.623 2.629 182 HG3 GLU 29 HG1 GLU 29 3.235 -8.216 3.578 183 H TYR 30 HN TYR 30 3.192 -3.438 2.831 184 HA TYR 30 HA TYR 30 1.052 -2.265 1.224 185 HB2 TYR 30 HB2 TYR 30 1.471 -0.742 3.575 186 HB3 TYR 30 HB1 TYR 30 0.102 -1.776 3.200 187 HD1 TYR 30 HD1 TYR 30 0.635 -4.420 3.662 188 HD2 TYR 30 HD2 TYR 30 2.595 -1.147 5.558 189 HE1 TYR 30 HE1 TYR 30 1.219 -5.872 5.553 190 HE2 TYR 30 HE2 TYR 30 3.184 -2.597 7.448 191 HH TYR 30 HH TYR 30 2.896 -5.974 7.342 192 H CYS 31 HN CYS 31 4.288 -1.806 2.346 193 HA CYS 31 HA CYS 31 4.478 0.683 0.798 194 HB2 CYS 31 HB2 CYS 31 4.461 1.037 3.314 195 HB3 CYS 31 HB1 CYS 31 6.001 0.188 3.358 196 H SER 32 HN SER 32 5.305 -0.425 -0.969 197 HA SER 32 HA SER 32 8.054 -1.453 -0.602 198 HB2 SER 32 HB2 SER 32 6.338 -3.213 -1.196 199 HB3 SER 32 HB1 SER 32 6.137 -2.387 -2.740 200 HG SER 32 HG SER 32 8.513 -2.664 -2.918 201 H ARG 33 HN ARG 33 9.536 -1.046 -2.335 202 HA ARG 33 HA ARG 33 8.898 1.437 -3.733 203 HB2 ARG 33 HB2 ARG 33 11.368 1.569 -4.154 204 HB3 ARG 33 HB1 ARG 33 10.892 1.629 -2.468 205 HG2 ARG 33 HG2 ARG 33 11.652 -1.017 -3.596 206 HG3 ARG 33 HG1 ARG 33 12.933 0.160 -3.303 207 HD2 ARG 33 HD2 ARG 33 12.195 0.370 -0.974 208 HD3 ARG 33 HD1 ARG 33 10.927 -0.818 -1.271 209 HE ARG 33 HE ARG 33 13.307 -2.024 -1.993 210 HH11 ARG 33 HH11 ARG 33 11.934 -0.717 0.964 211 HH12 ARG 33 HH12 ARG 33 12.822 -1.795 1.989 212 HH21 ARG 33 HH21 ARG 33 14.458 -3.424 -0.633 213 HH22 ARG 33 HH22 ARG 33 14.249 -3.326 1.084 214 H ALA 34 HN ALA 34 9.360 -1.889 -4.416 215 HA ALA 34 HA ALA 34 9.461 -1.299 -7.305 216 HB1 ALA 34 HB1 ALA 34 10.570 -3.727 -5.908 217 HB2 ALA 34 HB2 ALA 34 11.515 -2.365 -6.509 218 HB3 ALA 34 HB3 ALA 34 10.639 -3.397 -7.639 219 H ASN 35 HN ASN 35 7.579 -2.586 -4.821 220 HA ASN 35 HA ASN 35 5.843 -3.950 -6.767 221 HB2 ASN 35 HB2 ASN 35 6.685 -4.954 -4.049 222 HB3 ASN 35 HB1 ASN 35 5.274 -5.581 -4.895 223 HD21 ASN 35 HD21 ASN 35 5.555 -6.801 -6.761 224 HD22 ASN 35 HD22 ASN 35 7.079 -7.498 -7.182 225 H GLY 36 HN GLY 36 6.082 -1.502 -4.509 226 HA2 GLY 36 HA2 GLY 36 3.156 -1.390 -4.260 227 HA3 GLY 36 HA1 GLY 36 4.133 -1.254 -2.809 228 H CYS 37 HN CYS 37 4.200 0.723 -2.112 229 HA CYS 37 HA CYS 37 4.206 2.968 -1.934 230 HB2 CYS 37 HB2 CYS 37 6.109 2.459 -4.150 231 HB3 CYS 37 HB1 CYS 37 5.572 4.122 -3.934 232 H GLN 38 HN GLN 38 1.882 2.803 -2.344 233 HA GLN 38 HA GLN 38 1.067 4.070 -4.874 234 HB2 GLN 38 HB2 GLN 38 -0.825 2.946 -2.813 235 HB3 GLN 38 HB1 GLN 38 -1.116 3.227 -4.522 236 HG2 GLN 38 HG2 GLN 38 0.860 1.185 -3.539 237 HG3 GLN 38 HG1 GLN 38 -0.845 0.815 -3.784 238 HE21 GLN 38 HE21 GLN 38 -1.683 0.767 -5.876 239 HE22 GLN 38 HE22 GLN 38 -0.665 0.666 -7.268 240 H SER 39 HN SER 39 0.636 4.252 -1.361 241 HA SER 39 HA SER 39 -0.370 6.967 -1.482 242 HB2 SER 39 HB2 SER 39 -0.035 4.835 0.565 243 HB3 SER 39 HB1 SER 39 -0.101 6.502 1.135 244 HG SER 39 HG SER 39 -2.188 5.864 1.082 245 H ASN 40 HN ASN 40 0.816 8.115 0.788 246 HA ASN 40 HA ASN 40 3.323 8.987 -0.283 247 HB2 ASN 40 HB2 ASN 40 1.517 10.248 1.199 248 HB3 ASN 40 HB1 ASN 40 2.525 9.654 2.514 249 HD21 ASN 40 HD21 ASN 40 2.363 11.746 -0.254 250 HD22 ASN 40 HD22 ASN 40 3.790 12.654 0.095 251 H CYS 41 HN CYS 41 4.561 7.098 -0.347 252 HA CYS 41 HA CYS 41 5.326 5.824 2.167 253 HB2 CYS 41 HB2 CYS 41 6.470 4.174 0.771 254 HB3 CYS 41 HB1 CYS 41 4.841 4.424 0.161 255 H ARG 42 HN ARG 42 7.524 5.529 2.791 256 HA ARG 42 HA ARG 42 9.647 6.115 3.273 257 HB2 ARG 42 HB2 ARG 42 9.562 7.393 0.550 258 HB3 ARG 42 HB1 ARG 42 10.986 7.472 1.577 259 HG2 ARG 42 HG2 ARG 42 11.524 5.645 0.329 260 HG3 ARG 42 HG1 ARG 42 10.653 4.845 1.636 261 HD2 ARG 42 HD2 ARG 42 9.899 3.939 -0.456 262 HD3 ARG 42 HD1 ARG 42 8.600 4.908 0.234 263 HE ARG 42 HE ARG 42 9.392 6.703 -1.350 264 HH11 ARG 42 HH11 ARG 42 9.856 3.305 -2.115 265 HH12 ARG 42 HH12 ARG 42 9.875 3.578 -3.825 266 HH21 ARG 42 HH21 ARG 42 9.420 7.031 -3.590 267 HH22 ARG 42 HH22 ARG 42 9.628 5.684 -4.658 268 H GLY 43 HN GLY 43 7.594 8.736 2.229 269 HA2 GLY 43 HA2 GLY 43 7.055 10.532 3.728 270 HA3 GLY 43 HA1 GLY 43 8.658 10.376 4.430 Start of MODEL 2 1 H1 GLN 1 HT1 GLN 1 -2.961 0.135 10.387 2 H2 GLN 1 HT2 GLN 1 -3.481 -1.468 10.264 3 H3 GLN 1 HT3 GLN 1 -4.487 -0.306 10.971 4 HA GLN 1 HA GLN 1 -3.623 -0.350 8.138 5 HB2 GLN 1 HB2 GLN 1 -6.210 -1.119 9.487 6 HB3 GLN 1 HB1 GLN 1 -6.126 -0.723 7.776 7 HG2 GLN 1 HG2 GLN 1 -4.609 -2.553 7.382 8 HG3 GLN 1 HG1 GLN 1 -4.548 -2.912 9.108 9 HE21 GLN 1 HE21 GLN 1 -6.317 -3.884 10.098 10 HE22 GLN 1 HE22 GLN 1 -7.564 -4.664 9.192 11 H ASN 2 HN ASN 2 -3.958 1.459 7.014 12 HA ASN 2 HA ASN 2 -5.528 3.620 8.243 13 HB2 ASN 2 HB2 ASN 2 -2.794 3.792 6.981 14 HB3 ASN 2 HB1 ASN 2 -3.832 5.202 7.125 15 HD21 ASN 2 HD21 ASN 2 -4.237 6.078 9.142 16 HD22 ASN 2 HD22 ASN 2 -3.314 5.655 10.540 17 H CYS 3 HN CYS 3 -4.422 2.052 5.334 18 HA CYS 3 HA CYS 3 -6.669 3.055 3.825 19 HB2 CYS 3 HB2 CYS 3 -5.484 4.924 3.255 20 HB3 CYS 3 HB1 CYS 3 -3.936 4.157 3.548 21 H GLY 4 HN GLY 4 -6.659 2.236 1.550 22 HA2 GLY 4 HA2 GLY 4 -5.181 0.532 0.200 23 HA3 GLY 4 HA1 GLY 4 -5.720 -0.527 1.487 24 H ARG 5 HN ARG 5 -7.510 -1.654 1.103 25 HA ARG 5 HA ARG 5 -9.510 -0.600 -0.769 26 HB2 ARG 5 HB2 ARG 5 -8.116 -2.297 -1.884 27 HB3 ARG 5 HB1 ARG 5 -8.489 -3.447 -0.608 28 HG2 ARG 5 HG2 ARG 5 -10.747 -3.589 -1.270 29 HG3 ARG 5 HG1 ARG 5 -10.583 -2.209 -2.358 30 HD2 ARG 5 HD2 ARG 5 -9.037 -3.500 -3.756 31 HD3 ARG 5 HD1 ARG 5 -9.203 -4.875 -2.666 32 HE ARG 5 HE ARG 5 -11.756 -4.153 -3.532 33 HH11 ARG 5 HH11 ARG 5 -8.821 -5.496 -4.918 34 HH12 ARG 5 HH12 ARG 5 -9.666 -6.355 -6.162 35 HH21 ARG 5 HH21 ARG 5 -12.839 -5.287 -5.169 36 HH22 ARG 5 HH22 ARG 5 -11.938 -6.236 -6.303 37 H GLN 6 HN GLN 6 -8.778 -2.125 2.190 38 HA GLN 6 HA GLN 6 -11.458 -3.111 2.711 39 HB2 GLN 6 HB2 GLN 6 -8.910 -3.163 4.312 40 HB3 GLN 6 HB1 GLN 6 -10.445 -3.703 4.974 41 HG2 GLN 6 HG2 GLN 6 -10.612 -5.386 3.208 42 HG3 GLN 6 HG1 GLN 6 -9.065 -4.847 2.556 43 HE21 GLN 6 HE21 GLN 6 -7.172 -5.309 3.676 44 HE22 GLN 6 HE22 GLN 6 -7.109 -6.509 4.917 45 H ALA 7 HN ALA 7 -9.517 -0.354 3.500 46 HA ALA 7 HA ALA 7 -11.279 0.571 5.619 47 HB1 ALA 7 HB1 ALA 7 -8.886 1.908 4.354 48 HB2 ALA 7 HB2 ALA 7 -8.857 0.900 5.801 49 HB3 ALA 7 HB3 ALA 7 -9.721 2.437 5.815 50 H GLY 8 HN GLY 8 -11.894 0.379 2.543 51 HA2 GLY 8 HA2 GLY 8 -13.613 1.461 1.364 52 HA3 GLY 8 HA1 GLY 8 -13.460 2.840 2.444 53 H ASN 9 HN ASN 9 -10.585 1.524 1.100 54 HA ASN 9 HA ASN 9 -8.958 2.320 -0.234 55 HB2 ASN 9 HB2 ASN 9 -11.350 3.089 -1.924 56 HB3 ASN 9 HB1 ASN 9 -9.687 3.246 -2.481 57 HD21 ASN 9 HD21 ASN 9 -12.234 1.045 -1.634 58 HD22 ASN 9 HD22 ASN 9 -11.516 -0.370 -2.317 59 H ARG 10 HN ARG 10 -8.419 3.802 1.476 60 HA ARG 10 HA ARG 10 -9.002 6.628 0.903 61 HB2 ARG 10 HB2 ARG 10 -8.081 5.198 3.402 62 HB3 ARG 10 HB1 ARG 10 -8.025 6.948 3.254 63 HG2 ARG 10 HG2 ARG 10 -10.447 6.997 2.905 64 HG3 ARG 10 HG1 ARG 10 -10.501 5.240 3.056 65 HD2 ARG 10 HD2 ARG 10 -11.130 6.079 5.167 66 HD3 ARG 10 HD1 ARG 10 -9.460 5.546 5.347 67 HE ARG 10 HE ARG 10 -9.460 8.266 4.673 68 HH11 ARG 10 HH11 ARG 10 -10.368 6.230 7.386 69 HH12 ARG 10 HH12 ARG 10 -10.091 7.473 8.560 70 HH21 ARG 10 HH21 ARG 10 -9.377 9.536 7.902 71 HH22 ARG 10 HH22 ARG 10 -9.105 9.878 6.226 72 H ALA 11 HN ALA 11 -6.684 7.590 2.410 73 HA ALA 11 HA ALA 11 -4.370 6.640 0.895 74 HB1 ALA 11 HB1 ALA 11 -5.198 9.538 0.939 75 HB2 ALA 11 HB2 ALA 11 -5.295 8.459 -0.453 76 HB3 ALA 11 HB3 ALA 11 -3.724 8.889 0.221 77 H CYS 12 HN CYS 12 -2.452 6.774 2.009 78 HA CYS 12 HA CYS 12 -2.647 7.672 4.795 79 HB2 CYS 12 HB2 CYS 12 -0.543 6.046 3.358 80 HB3 CYS 12 HB1 CYS 12 -0.477 6.467 5.065 81 H ALA 13 HN ALA 13 -1.915 9.595 5.401 82 HA ALA 13 HA ALA 13 0.329 10.814 3.937 83 HB1 ALA 13 HB1 ALA 13 -1.759 11.803 3.135 84 HB2 ALA 13 HB2 ALA 13 -0.759 12.982 3.984 85 HB3 ALA 13 HB3 ALA 13 -2.163 12.277 4.785 86 H ASN 14 HN ASN 14 0.020 9.426 6.619 87 HA ASN 14 HA ASN 14 0.655 11.590 8.468 88 HB2 ASN 14 HB2 ASN 14 0.091 8.662 8.908 89 HB3 ASN 14 HB1 ASN 14 0.641 9.730 10.195 90 HD21 ASN 14 HD21 ASN 14 -1.968 8.925 8.049 91 HD22 ASN 14 HD22 ASN 14 -3.187 9.842 8.859 92 H GLN 15 HN GLN 15 2.046 8.352 8.323 93 HA GLN 15 HA GLN 15 4.721 9.420 7.852 94 HB2 GLN 15 HB2 GLN 15 3.925 7.883 10.320 95 HB3 GLN 15 HB1 GLN 15 5.589 7.943 9.757 96 HG2 GLN 15 HG2 GLN 15 5.582 10.373 9.983 97 HG3 GLN 15 HG1 GLN 15 3.910 10.318 10.538 98 HE21 GLN 15 HE21 GLN 15 3.453 9.517 12.588 99 HE22 GLN 15 HE22 GLN 15 4.673 9.335 13.797 100 H LEU 16 HN LEU 16 2.534 6.745 8.046 101 HA LEU 16 HA LEU 16 4.424 4.924 6.764 102 HB2 LEU 16 HB2 LEU 16 2.695 3.179 7.186 103 HB3 LEU 16 HB1 LEU 16 3.252 3.959 8.647 104 HG LEU 16 HG LEU 16 0.685 4.797 7.311 105 HD11 LEU 16 HD11 LEU 16 1.076 2.568 9.299 106 HD12 LEU 16 HD12 LEU 16 0.467 2.427 7.648 107 HD13 LEU 16 HD13 LEU 16 -0.482 3.274 8.869 108 HD21 LEU 16 HD21 LEU 16 0.117 5.291 9.751 109 HD22 LEU 16 HD22 LEU 16 1.301 6.343 8.983 110 HD23 LEU 16 HD23 LEU 16 1.835 5.071 10.081 111 H CYS 17 HN CYS 17 2.959 3.324 5.159 112 HA CYS 17 HA CYS 17 1.443 5.010 3.337 113 HB2 CYS 17 HB2 CYS 17 2.904 4.996 1.582 114 HB3 CYS 17 HB1 CYS 17 4.091 4.777 2.856 115 H CYS 18 HN CYS 18 0.066 4.015 1.969 116 HA CYS 18 HA CYS 18 -0.418 1.167 2.502 117 HB2 CYS 18 HB2 CYS 18 -2.745 1.636 1.920 118 HB3 CYS 18 HB1 CYS 18 -2.191 2.744 3.167 119 H SER 19 HN SER 19 -1.599 0.009 0.862 120 HA SER 19 HA SER 19 -0.883 0.636 -1.916 121 HB2 SER 19 HB2 SER 19 -0.506 -1.858 -2.242 122 HB3 SER 19 HB1 SER 19 0.703 -1.072 -1.226 123 HG SER 19 HG SER 19 0.155 -2.785 -0.043 124 H GLN 20 HN GLN 20 -2.246 -0.789 -3.471 125 HA GLN 20 HA GLN 20 -5.014 -0.504 -2.732 126 HB2 GLN 20 HB2 GLN 20 -3.880 -0.148 -5.061 127 HB3 GLN 20 HB1 GLN 20 -4.096 -1.882 -5.242 128 HG2 GLN 20 HG2 GLN 20 -6.505 -1.614 -4.923 129 HG3 GLN 20 HG1 GLN 20 -6.286 0.125 -4.739 130 HE21 GLN 20 HE21 GLN 20 -6.260 -2.554 -6.948 131 HE22 GLN 20 HE22 GLN 20 -6.272 -1.620 -8.402 132 H TYR 21 HN TYR 21 -4.705 -2.006 -0.885 133 HA TYR 21 HA TYR 21 -5.629 -4.671 -1.579 134 HB2 TYR 21 HB2 TYR 21 -3.340 -5.220 -1.435 135 HB3 TYR 21 HB1 TYR 21 -3.061 -4.096 -0.115 136 HD1 TYR 21 HD1 TYR 21 -3.229 -4.801 2.142 137 HD2 TYR 21 HD2 TYR 21 -4.533 -7.379 -0.973 138 HE1 TYR 21 HE1 TYR 21 -3.407 -6.656 3.754 139 HE2 TYR 21 HE2 TYR 21 -4.716 -9.239 0.623 140 HH TYR 21 HH TYR 21 -4.606 -8.788 3.983 141 H GLY 22 HN GLY 22 -4.721 -2.508 1.041 142 HA2 GLY 22 HA2 GLY 22 -6.754 -1.840 2.458 143 HA3 GLY 22 HA1 GLY 22 -6.917 -3.570 2.692 144 H PHE 23 HN PHE 23 -3.708 -2.296 2.462 145 HA PHE 23 HA PHE 23 -3.450 -2.280 5.373 146 HB2 PHE 23 HB2 PHE 23 -2.747 -4.497 4.190 147 HB3 PHE 23 HB1 PHE 23 -1.312 -3.595 3.744 148 HD1 PHE 23 HD1 PHE 23 -2.097 -6.069 5.722 149 HD2 PHE 23 HD2 PHE 23 -0.708 -2.068 6.209 150 HE1 PHE 23 HE1 PHE 23 -1.113 -6.674 7.890 151 HE2 PHE 23 HE2 PHE 23 0.274 -2.675 8.379 152 HZ PHE 23 HZ PHE 23 0.076 -4.979 9.220 153 H CYS 24 HN CYS 24 -2.474 -0.553 6.089 154 HA CYS 24 HA CYS 24 -0.494 0.860 4.445 155 HB2 CYS 24 HB2 CYS 24 -2.616 2.058 5.254 156 HB3 CYS 24 HB1 CYS 24 -1.918 1.938 6.864 157 H GLY 25 HN GLY 25 1.537 1.335 5.342 158 HA2 GLY 25 HA2 GLY 25 2.315 1.147 7.998 159 HA3 GLY 25 HA1 GLY 25 2.474 -0.469 7.343 160 H SER 26 HN SER 26 4.607 -0.775 7.192 161 HA SER 26 HA SER 26 6.133 1.006 5.434 162 HB2 SER 26 HB2 SER 26 7.005 0.126 8.185 163 HB3 SER 26 HB1 SER 26 8.081 0.860 6.996 164 HG SER 26 HG SER 26 7.385 2.695 7.726 165 H THR 27 HN THR 27 5.526 -2.134 6.699 166 HA THR 27 HA THR 27 7.821 -3.548 5.921 167 HB THR 27 HB THR 27 5.085 -4.784 5.832 168 HG1 THR 27 HG1 THR 27 4.777 -4.052 7.788 169 HG21 THR 27 HG21 THR 27 6.241 -6.679 6.917 170 HG22 THR 27 HG22 THR 27 7.750 -5.769 6.861 171 HG23 THR 27 HG23 THR 27 6.964 -6.266 5.363 172 H SER 28 HN SER 28 7.853 -5.266 4.162 173 HA SER 28 HA SER 28 7.423 -3.964 1.632 174 HB2 SER 28 HB2 SER 28 8.604 -5.980 0.717 175 HB3 SER 28 HB1 SER 28 9.505 -5.119 1.964 176 HG SER 28 HG SER 28 9.379 -7.498 2.132 177 H GLU 29 HN GLU 29 5.048 -4.053 2.151 178 HA GLU 29 HA GLU 29 3.799 -5.976 0.397 179 HB2 GLU 29 HB2 GLU 29 3.103 -5.839 3.341 180 HB3 GLU 29 HB1 GLU 29 1.946 -6.397 2.144 181 HG2 GLU 29 HG2 GLU 29 4.652 -7.662 2.427 182 HG3 GLU 29 HG1 GLU 29 3.287 -8.148 3.430 183 H TYR 30 HN TYR 30 3.615 -3.325 2.607 184 HA TYR 30 HA TYR 30 1.467 -2.045 1.079 185 HB2 TYR 30 HB2 TYR 30 1.989 -0.586 3.451 186 HB3 TYR 30 HB1 TYR 30 0.575 -1.564 3.085 187 HD1 TYR 30 HD1 TYR 30 0.873 -4.172 3.562 188 HD2 TYR 30 HD2 TYR 30 3.285 -1.125 5.294 189 HE1 TYR 30 HE1 TYR 30 1.446 -5.686 5.408 190 HE2 TYR 30 HE2 TYR 30 3.860 -2.630 7.144 191 HH TYR 30 HH TYR 30 3.235 -5.961 7.070 192 H CYS 31 HN CYS 31 4.795 -1.865 1.901 193 HA CYS 31 HA CYS 31 5.062 0.597 0.353 194 HB2 CYS 31 HB2 CYS 31 6.431 0.181 3.021 195 HB3 CYS 31 HB1 CYS 31 6.698 1.537 1.932 196 H SER 32 HN SER 32 5.852 -0.564 -1.356 197 HA SER 32 HA SER 32 8.473 -1.831 -0.960 198 HB2 SER 32 HB2 SER 32 6.406 -2.436 -3.085 199 HB3 SER 32 HB1 SER 32 7.997 -3.188 -2.973 200 HG SER 32 HG SER 32 7.141 -4.537 -1.627 201 H ARG 33 HN ARG 33 6.734 -0.580 -3.773 202 HA ARG 33 HA ARG 33 8.264 1.731 -4.163 203 HB2 ARG 33 HB2 ARG 33 9.512 1.028 -6.250 204 HB3 ARG 33 HB1 ARG 33 10.169 0.451 -4.730 205 HG2 ARG 33 HG2 ARG 33 9.150 -1.750 -5.135 206 HG3 ARG 33 HG1 ARG 33 8.517 -1.163 -6.673 207 HD2 ARG 33 HD2 ARG 33 10.485 -2.346 -7.205 208 HD3 ARG 33 HD1 ARG 33 10.915 -0.639 -7.301 209 HE ARG 33 HE ARG 33 11.509 -1.510 -4.722 210 HH11 ARG 33 HH11 ARG 33 12.636 -2.149 -7.987 211 HH12 ARG 33 HH12 ARG 33 14.238 -2.561 -7.476 212 HH21 ARG 33 HH21 ARG 33 13.613 -2.055 -4.077 213 HH22 ARG 33 HH22 ARG 33 14.790 -2.508 -5.264 214 H ALA 34 HN ALA 34 6.694 -0.832 -5.994 215 HA ALA 34 HA ALA 34 4.885 1.150 -7.187 216 HB1 ALA 34 HB1 ALA 34 5.031 0.069 -9.365 217 HB2 ALA 34 HB2 ALA 34 6.218 -1.072 -8.732 218 HB3 ALA 34 HB3 ALA 34 6.617 0.643 -8.847 219 H ASN 35 HN ASN 35 5.464 -2.018 -5.968 220 HA ASN 35 HA ASN 35 2.759 -2.944 -6.574 221 HB2 ASN 35 HB2 ASN 35 5.176 -4.328 -5.414 222 HB3 ASN 35 HB1 ASN 35 3.589 -5.089 -5.496 223 HD21 ASN 35 HD21 ASN 35 2.736 -5.657 -7.497 224 HD22 ASN 35 HD22 ASN 35 3.719 -5.766 -8.915 225 H GLY 36 HN GLY 36 4.705 -1.809 -3.951 226 HA2 GLY 36 HA2 GLY 36 2.501 -2.323 -2.056 227 HA3 GLY 36 HA1 GLY 36 4.193 -2.231 -1.594 228 H CYS 37 HN CYS 37 5.217 -0.054 -2.400 229 HA CYS 37 HA CYS 37 3.968 2.010 -0.911 230 HB2 CYS 37 HB2 CYS 37 6.226 2.284 -0.810 231 HB3 CYS 37 HB1 CYS 37 6.483 1.621 -2.415 232 H GLN 38 HN GLN 38 2.026 2.686 -1.644 233 HA GLN 38 HA GLN 38 1.974 3.868 -4.356 234 HB2 GLN 38 HB2 GLN 38 -0.340 2.738 -2.765 235 HB3 GLN 38 HB1 GLN 38 -0.474 3.518 -4.335 236 HG2 GLN 38 HG2 GLN 38 1.378 1.625 -4.862 237 HG3 GLN 38 HG1 GLN 38 0.408 0.808 -3.643 238 HE21 GLN 38 HE21 GLN 38 -1.745 0.326 -4.087 239 HE22 GLN 38 HE22 GLN 38 -2.381 0.360 -5.692 240 H SER 39 HN SER 39 0.775 4.162 -1.029 241 HA SER 39 HA SER 39 -0.161 6.835 -1.295 242 HB2 SER 39 HB2 SER 39 -0.814 5.013 0.374 243 HB3 SER 39 HB1 SER 39 0.662 5.441 1.237 244 HG SER 39 HG SER 39 -0.264 7.191 1.940 245 H ASN 40 HN ASN 40 0.980 7.909 1.160 246 HA ASN 40 HA ASN 40 3.330 9.158 0.106 247 HB2 ASN 40 HB2 ASN 40 1.479 10.101 1.701 248 HB3 ASN 40 HB1 ASN 40 2.470 9.396 2.971 249 HD21 ASN 40 HD21 ASN 40 4.514 10.243 3.379 250 HD22 ASN 40 HD22 ASN 40 4.995 11.798 2.798 251 H CYS 41 HN CYS 41 4.697 7.362 -0.193 252 HA CYS 41 HA CYS 41 5.766 6.111 2.226 253 HB2 CYS 41 HB2 CYS 41 6.906 4.683 0.214 254 HB3 CYS 41 HB1 CYS 41 5.351 4.282 0.927 255 H ARG 42 HN ARG 42 7.794 5.959 -0.540 256 HA ARG 42 HA ARG 42 9.761 7.663 0.777 257 HB2 ARG 42 HB2 ARG 42 10.024 5.834 -1.616 258 HB3 ARG 42 HB1 ARG 42 11.340 6.775 -0.936 259 HG2 ARG 42 HG2 ARG 42 11.766 4.856 0.171 260 HG3 ARG 42 HG1 ARG 42 10.539 5.477 1.275 261 HD2 ARG 42 HD2 ARG 42 8.972 4.210 -0.522 262 HD3 ARG 42 HD1 ARG 42 10.420 3.213 -0.616 263 HE ARG 42 HE ARG 42 9.037 3.771 1.929 264 HH11 ARG 42 HH11 ARG 42 10.557 1.491 -0.274 265 HH12 ARG 42 HH12 ARG 42 10.391 0.155 0.817 266 HH21 ARG 42 HH21 ARG 42 8.837 2.006 3.337 267 HH22 ARG 42 HH22 ARG 42 9.419 0.448 2.857 268 H GLY 43 HN GLY 43 7.606 7.764 -1.896 269 HA2 GLY 43 HA2 GLY 43 7.256 10.195 -2.581 270 HA3 GLY 43 HA1 GLY 43 8.963 10.143 -2.995 Start of MODEL 3 1 H1 GLN 1 HT1 GLN 1 -3.105 -2.348 10.114 2 H2 GLN 1 HT2 GLN 1 -4.038 -1.208 10.945 3 H3 GLN 1 HT3 GLN 1 -2.513 -0.780 10.354 4 HA GLN 1 HA GLN 1 -3.257 -1.047 8.093 5 HB2 GLN 1 HB2 GLN 1 -5.857 -1.790 9.440 6 HB3 GLN 1 HB1 GLN 1 -5.764 -1.307 7.753 7 HG2 GLN 1 HG2 GLN 1 -4.319 -3.185 7.264 8 HG3 GLN 1 HG1 GLN 1 -4.312 -3.647 8.964 9 HE21 GLN 1 HE21 GLN 1 -6.151 -4.575 9.866 10 HE22 GLN 1 HE22 GLN 1 -7.421 -5.229 8.894 11 H ASN 2 HN ASN 2 -3.679 0.833 7.076 12 HA ASN 2 HA ASN 2 -5.031 2.959 8.596 13 HB2 ASN 2 HB2 ASN 2 -2.287 2.905 7.901 14 HB3 ASN 2 HB1 ASN 2 -3.044 4.091 6.841 15 HD21 ASN 2 HD21 ASN 2 -2.289 3.240 10.125 16 HD22 ASN 2 HD22 ASN 2 -2.625 4.788 10.817 17 H CYS 3 HN CYS 3 -4.534 1.367 5.573 18 HA CYS 3 HA CYS 3 -6.799 2.550 4.347 19 HB2 CYS 3 HB2 CYS 3 -5.747 4.492 3.745 20 HB3 CYS 3 HB1 CYS 3 -4.150 3.784 3.868 21 H GLY 4 HN GLY 4 -6.666 2.044 1.807 22 HA2 GLY 4 HA2 GLY 4 -5.324 0.345 0.385 23 HA3 GLY 4 HA1 GLY 4 -5.891 -0.778 1.603 24 H ARG 5 HN ARG 5 -7.679 -1.851 1.115 25 HA ARG 5 HA ARG 5 -9.643 -0.629 -0.711 26 HB2 ARG 5 HB2 ARG 5 -8.972 -3.574 -0.626 27 HB3 ARG 5 HB1 ARG 5 -10.033 -2.760 -1.764 28 HG2 ARG 5 HG2 ARG 5 -8.010 -1.474 -2.538 29 HG3 ARG 5 HG1 ARG 5 -7.045 -2.591 -1.572 30 HD2 ARG 5 HD2 ARG 5 -7.957 -4.474 -2.841 31 HD3 ARG 5 HD1 ARG 5 -8.923 -3.362 -3.806 32 HE ARG 5 HE ARG 5 -6.235 -2.596 -3.988 33 HH11 ARG 5 HH11 ARG 5 -8.297 -5.237 -5.039 34 HH12 ARG 5 HH12 ARG 5 -7.329 -5.592 -6.430 35 HH21 ARG 5 HH21 ARG 5 -4.979 -3.082 -5.814 36 HH22 ARG 5 HH22 ARG 5 -5.453 -4.372 -6.868 37 H GLN 6 HN GLN 6 -8.981 -2.161 2.213 38 HA GLN 6 HA GLN 6 -11.681 -3.141 2.699 39 HB2 GLN 6 HB2 GLN 6 -9.150 -3.240 4.327 40 HB3 GLN 6 HB1 GLN 6 -10.698 -3.783 4.955 41 HG2 GLN 6 HG2 GLN 6 -10.844 -5.430 3.146 42 HG3 GLN 6 HG1 GLN 6 -9.275 -4.894 2.545 43 HE21 GLN 6 HE21 GLN 6 -7.416 -5.396 3.707 44 HE22 GLN 6 HE22 GLN 6 -7.398 -6.619 4.927 45 H ALA 7 HN ALA 7 -9.688 -0.438 3.574 46 HA ALA 7 HA ALA 7 -11.463 0.477 5.683 47 HB1 ALA 7 HB1 ALA 7 -9.871 2.304 5.949 48 HB2 ALA 7 HB2 ALA 7 -9.028 1.798 4.485 49 HB3 ALA 7 HB3 ALA 7 -9.037 0.750 5.902 50 H GLY 8 HN GLY 8 -12.072 0.371 2.609 51 HA2 GLY 8 HA2 GLY 8 -13.756 1.520 1.447 52 HA3 GLY 8 HA1 GLY 8 -13.579 2.868 2.562 53 H ASN 9 HN ASN 9 -10.737 1.516 1.172 54 HA ASN 9 HA ASN 9 -9.097 2.306 -0.151 55 HB2 ASN 9 HB2 ASN 9 -11.475 3.208 -1.792 56 HB3 ASN 9 HB1 ASN 9 -9.813 3.334 -2.358 57 HD21 ASN 9 HD21 ASN 9 -8.666 1.461 -2.843 58 HD22 ASN 9 HD22 ASN 9 -9.452 -0.057 -3.089 59 H ARG 10 HN ARG 10 -8.537 3.707 1.634 60 HA ARG 10 HA ARG 10 -9.039 6.566 1.199 61 HB2 ARG 10 HB2 ARG 10 -8.028 4.980 3.563 62 HB3 ARG 10 HB1 ARG 10 -7.902 6.731 3.504 63 HG2 ARG 10 HG2 ARG 10 -10.339 6.894 3.288 64 HG3 ARG 10 HG1 ARG 10 -10.455 5.135 3.370 65 HD2 ARG 10 HD2 ARG 10 -10.930 5.899 5.546 66 HD3 ARG 10 HD1 ARG 10 -9.272 5.304 5.607 67 HE ARG 10 HE ARG 10 -9.175 8.034 5.048 68 HH11 ARG 10 HH11 ARG 10 -10.144 5.967 7.716 69 HH12 ARG 10 HH12 ARG 10 -9.790 7.160 8.920 70 HH21 ARG 10 HH21 ARG 10 -8.982 9.203 8.311 71 HH22 ARG 10 HH22 ARG 10 -8.717 9.581 6.641 72 H ALA 11 HN ALA 11 -6.637 7.475 2.554 73 HA ALA 11 HA ALA 11 -4.421 6.472 0.939 74 HB1 ALA 11 HB1 ALA 11 -3.782 8.686 0.155 75 HB2 ALA 11 HB2 ALA 11 -5.204 9.384 0.930 76 HB3 ALA 11 HB3 ALA 11 -5.396 8.262 -0.417 77 H CYS 12 HN CYS 12 -2.444 6.648 1.911 78 HA CYS 12 HA CYS 12 -2.427 7.730 4.644 79 HB2 CYS 12 HB2 CYS 12 -0.623 5.734 3.264 80 HB3 CYS 12 HB1 CYS 12 -0.324 6.358 4.883 81 H ALA 13 HN ALA 13 -1.523 9.647 4.971 82 HA ALA 13 HA ALA 13 0.830 10.438 3.409 83 HB1 ALA 13 HB1 ALA 13 -0.065 12.654 2.978 84 HB2 ALA 13 HB2 ALA 13 -1.570 12.219 3.789 85 HB3 ALA 13 HB3 ALA 13 -1.112 11.414 2.288 86 H ASN 14 HN ASN 14 0.381 9.573 6.235 87 HA ASN 14 HA ASN 14 1.005 12.003 7.727 88 HB2 ASN 14 HB2 ASN 14 0.299 9.214 8.626 89 HB3 ASN 14 HB1 ASN 14 0.834 10.467 9.741 90 HD21 ASN 14 HD21 ASN 14 -1.706 9.395 7.632 91 HD22 ASN 14 HD22 ASN 14 -2.922 10.478 8.211 92 H GLN 15 HN GLN 15 2.263 8.719 8.066 93 HA GLN 15 HA GLN 15 5.007 9.656 7.694 94 HB2 GLN 15 HB2 GLN 15 3.985 8.309 10.192 95 HB3 GLN 15 HB1 GLN 15 5.687 8.305 9.753 96 HG2 GLN 15 HG2 GLN 15 5.712 10.747 9.819 97 HG3 GLN 15 HG1 GLN 15 4.004 10.751 10.258 98 HE21 GLN 15 HE21 GLN 15 7.241 10.085 11.324 99 HE22 GLN 15 HE22 GLN 15 6.880 9.966 13.010 100 H LEU 16 HN LEU 16 2.684 7.112 7.857 101 HA LEU 16 HA LEU 16 4.573 5.122 6.835 102 HB2 LEU 16 HB2 LEU 16 2.631 3.524 7.190 103 HB3 LEU 16 HB1 LEU 16 3.295 4.237 8.644 104 HG LEU 16 HG LEU 16 0.870 5.451 7.366 105 HD11 LEU 16 HD11 LEU 16 0.875 3.070 9.211 106 HD12 LEU 16 HD12 LEU 16 0.329 3.097 7.533 107 HD13 LEU 16 HD13 LEU 16 -0.543 4.012 8.761 108 HD21 LEU 16 HD21 LEU 16 1.955 6.641 9.222 109 HD22 LEU 16 HD22 LEU 16 1.779 5.212 10.239 110 HD23 LEU 16 HD23 LEU 16 0.348 6.074 9.674 111 H CYS 17 HN CYS 17 2.864 3.496 5.293 112 HA CYS 17 HA CYS 17 1.612 5.190 3.338 113 HB2 CYS 17 HB2 CYS 17 3.081 5.039 1.582 114 HB3 CYS 17 HB1 CYS 17 4.233 4.927 2.903 115 H CYS 18 HN CYS 18 0.213 4.406 2.096 116 HA CYS 18 HA CYS 18 -0.799 1.733 2.592 117 HB2 CYS 18 HB2 CYS 18 -2.255 3.660 2.866 118 HB3 CYS 18 HB1 CYS 18 -1.937 4.159 1.216 119 H SER 19 HN SER 19 -1.623 0.417 0.920 120 HA SER 19 HA SER 19 -0.739 0.958 -1.817 121 HB2 SER 19 HB2 SER 19 -0.067 -1.471 -2.055 122 HB3 SER 19 HB1 SER 19 0.994 -0.532 -1.005 123 HG SER 19 HG SER 19 0.300 -2.635 -0.184 124 H GLN 20 HN GLN 20 -1.931 -0.328 -3.438 125 HA GLN 20 HA GLN 20 -4.713 -0.455 -2.815 126 HB2 GLN 20 HB2 GLN 20 -3.136 -1.194 -5.278 127 HB3 GLN 20 HB1 GLN 20 -4.878 -1.407 -5.183 128 HG2 GLN 20 HG2 GLN 20 -5.136 0.997 -4.761 129 HG3 GLN 20 HG1 GLN 20 -3.390 1.196 -4.907 130 HE21 GLN 20 HE21 GLN 20 -6.357 0.554 -6.594 131 HE22 GLN 20 HE22 GLN 20 -5.743 0.802 -8.190 132 H TYR 21 HN TYR 21 -4.787 -1.951 -1.109 133 HA TYR 21 HA TYR 21 -5.234 -4.675 -1.910 134 HB2 TYR 21 HB2 TYR 21 -2.912 -5.006 -1.569 135 HB3 TYR 21 HB1 TYR 21 -2.879 -3.944 -0.172 136 HD1 TYR 21 HD1 TYR 21 -3.864 -7.295 -1.356 137 HD2 TYR 21 HD2 TYR 21 -3.278 -4.790 2.028 138 HE1 TYR 21 HE1 TYR 21 -4.029 -9.260 0.111 139 HE2 TYR 21 HE2 TYR 21 -3.440 -6.749 3.508 140 HH TYR 21 HH TYR 21 -4.401 -9.011 3.474 141 H GLY 22 HN GLY 22 -4.568 -2.790 0.984 142 HA2 GLY 22 HA2 GLY 22 -6.885 -2.306 2.175 143 HA3 GLY 22 HA1 GLY 22 -6.781 -4.039 2.416 144 H PHE 23 HN PHE 23 -3.701 -2.749 2.328 145 HA PHE 23 HA PHE 23 -3.635 -2.358 5.225 146 HB2 PHE 23 HB2 PHE 23 -2.757 -4.651 4.190 147 HB3 PHE 23 HB1 PHE 23 -1.304 -3.693 3.970 148 HD1 PHE 23 HD1 PHE 23 -2.803 -5.953 6.054 149 HD2 PHE 23 HD2 PHE 23 -0.745 -2.227 6.240 150 HE1 PHE 23 HE1 PHE 23 -2.194 -6.407 8.392 151 HE2 PHE 23 HE2 PHE 23 -0.134 -2.681 8.580 152 HZ PHE 23 HZ PHE 23 -0.858 -4.773 9.658 153 H CYS 24 HN CYS 24 -2.283 -0.867 6.011 154 HA CYS 24 HA CYS 24 -0.408 0.514 4.232 155 HB2 CYS 24 HB2 CYS 24 -2.380 1.905 4.318 156 HB3 CYS 24 HB1 CYS 24 -2.466 1.759 6.063 157 H GLY 25 HN GLY 25 1.410 1.485 5.340 158 HA2 GLY 25 HA2 GLY 25 2.008 1.602 7.981 159 HA3 GLY 25 HA1 GLY 25 2.230 -0.095 7.619 160 H SER 26 HN SER 26 4.333 -0.545 7.413 161 HA SER 26 HA SER 26 5.983 1.196 5.717 162 HB2 SER 26 HB2 SER 26 6.718 0.242 8.479 163 HB3 SER 26 HB1 SER 26 7.865 0.951 7.344 164 HG SER 26 HG SER 26 7.144 2.847 7.874 165 H THR 27 HN THR 27 5.222 -1.960 6.851 166 HA THR 27 HA THR 27 7.534 -3.396 6.160 167 HB THR 27 HB THR 27 4.786 -4.581 5.907 168 HG1 THR 27 HG1 THR 27 4.403 -3.902 7.870 169 HG21 THR 27 HG21 THR 27 7.384 -5.640 7.032 170 HG22 THR 27 HG22 THR 27 6.666 -6.080 5.482 171 HG23 THR 27 HG23 THR 27 5.860 -6.526 6.986 172 H SER 28 HN SER 28 7.653 -5.057 4.380 173 HA SER 28 HA SER 28 7.405 -3.727 1.843 174 HB2 SER 28 HB2 SER 28 8.536 -6.404 2.627 175 HB3 SER 28 HB1 SER 28 8.603 -5.741 0.996 176 HG SER 28 HG SER 28 9.715 -3.912 1.959 177 H GLU 29 HN GLU 29 4.906 -3.963 2.469 178 HA GLU 29 HA GLU 29 3.829 -5.809 0.499 179 HB2 GLU 29 HB2 GLU 29 2.955 -5.809 3.400 180 HB3 GLU 29 HB1 GLU 29 1.930 -6.417 2.109 181 HG2 GLU 29 HG2 GLU 29 4.696 -7.487 2.541 182 HG3 GLU 29 HG1 GLU 29 3.317 -8.096 3.453 183 H TYR 30 HN TYR 30 3.289 -3.334 2.884 184 HA TYR 30 HA TYR 30 1.185 -2.075 1.319 185 HB2 TYR 30 HB2 TYR 30 1.835 -0.525 3.619 186 HB3 TYR 30 HB1 TYR 30 0.366 -1.437 3.309 187 HD1 TYR 30 HD1 TYR 30 0.811 -4.162 3.712 188 HD2 TYR 30 HD2 TYR 30 2.858 -0.960 5.628 189 HE1 TYR 30 HE1 TYR 30 1.331 -5.636 5.606 190 HE2 TYR 30 HE2 TYR 30 3.385 -2.429 7.522 191 HH TYR 30 HH TYR 30 2.990 -5.795 7.406 192 H CYS 31 HN CYS 31 4.452 -1.699 2.367 193 HA CYS 31 HA CYS 31 4.734 0.746 0.762 194 HB2 CYS 31 HB2 CYS 31 6.096 -0.099 3.314 195 HB3 CYS 31 HB1 CYS 31 6.837 1.082 2.239 196 H SER 32 HN SER 32 5.031 -0.461 -1.110 197 HA SER 32 HA SER 32 7.183 -2.396 -1.253 198 HB2 SER 32 HB2 SER 32 5.020 -1.457 -3.064 199 HB3 SER 32 HB1 SER 32 6.438 -2.209 -3.790 200 HG SER 32 HG SER 32 5.885 -3.806 -1.879 201 H ARG 33 HN ARG 33 9.190 -2.007 -1.759 202 HA ARG 33 HA ARG 33 9.934 0.572 -2.926 203 HB2 ARG 33 HB2 ARG 33 12.271 -0.052 -2.207 204 HB3 ARG 33 HB1 ARG 33 11.126 0.186 -0.900 205 HG2 ARG 33 HG2 ARG 33 10.902 -2.235 -0.640 206 HG3 ARG 33 HG1 ARG 33 12.025 -2.488 -1.977 207 HD2 ARG 33 HD2 ARG 33 13.303 -2.749 -0.013 208 HD3 ARG 33 HD1 ARG 33 13.708 -1.151 -0.635 209 HE ARG 33 HE ARG 33 11.612 -0.875 1.200 210 HH11 ARG 33 HH11 ARG 33 15.014 -1.746 1.221 211 HH12 ARG 33 HH12 ARG 33 15.266 -1.184 2.840 212 HH21 ARG 33 HH21 ARG 33 11.965 -0.146 3.317 213 HH22 ARG 33 HH22 ARG 33 13.541 -0.280 4.025 214 H ALA 34 HN ALA 34 10.043 -2.847 -3.460 215 HA ALA 34 HA ALA 34 11.480 -2.519 -5.992 216 HB1 ALA 34 HB1 ALA 34 10.791 -5.046 -4.501 217 HB2 ALA 34 HB2 ALA 34 12.349 -4.222 -4.462 218 HB3 ALA 34 HB3 ALA 34 11.768 -4.937 -5.965 219 H ASN 35 HN ASN 35 8.416 -3.395 -4.621 220 HA ASN 35 HA ASN 35 7.324 -4.189 -7.211 221 HB2 ASN 35 HB2 ASN 35 6.242 -4.354 -4.399 222 HB3 ASN 35 HB1 ASN 35 5.225 -4.649 -5.805 223 HD21 ASN 35 HD21 ASN 35 7.888 -5.791 -3.894 224 HD22 ASN 35 HD22 ASN 35 7.949 -7.383 -4.563 225 H GLY 36 HN GLY 36 7.514 -1.445 -5.182 226 HA2 GLY 36 HA2 GLY 36 6.958 0.735 -5.884 227 HA3 GLY 36 HA1 GLY 36 5.810 0.056 -7.022 228 H CYS 37 HN CYS 37 6.095 1.815 -4.258 229 HA CYS 37 HA CYS 37 3.692 0.860 -2.930 230 HB2 CYS 37 HB2 CYS 37 4.180 2.988 -1.478 231 HB3 CYS 37 HB1 CYS 37 5.241 1.594 -1.339 232 H GLN 38 HN GLN 38 2.046 2.731 -2.257 233 HA GLN 38 HA GLN 38 1.412 4.158 -4.765 234 HB2 GLN 38 HB2 GLN 38 -0.653 3.289 -2.753 235 HB3 GLN 38 HB1 GLN 38 -0.893 3.755 -4.430 236 HG2 GLN 38 HG2 GLN 38 0.678 1.312 -3.677 237 HG3 GLN 38 HG1 GLN 38 -1.078 1.280 -3.836 238 HE21 GLN 38 HE21 GLN 38 1.946 1.602 -5.509 239 HE22 GLN 38 HE22 GLN 38 1.321 1.400 -7.107 240 H SER 39 HN SER 39 0.698 4.315 -1.265 241 HA SER 39 HA SER 39 0.068 7.105 -1.351 242 HB2 SER 39 HB2 SER 39 0.105 4.925 0.628 243 HB3 SER 39 HB1 SER 39 0.343 6.543 1.288 244 HG SER 39 HG SER 39 -1.839 5.580 -0.238 245 H ASN 40 HN ASN 40 1.176 8.353 0.730 246 HA ASN 40 HA ASN 40 3.692 9.181 -0.185 247 HB2 ASN 40 HB2 ASN 40 1.935 10.364 1.359 248 HB3 ASN 40 HB1 ASN 40 2.862 9.624 2.662 249 HD21 ASN 40 HD21 ASN 40 4.978 10.288 3.029 250 HD22 ASN 40 HD22 ASN 40 5.604 11.761 2.377 251 H CYS 41 HN CYS 41 5.026 7.441 -0.410 252 HA CYS 41 HA CYS 41 6.024 6.164 2.052 253 HB2 CYS 41 HB2 CYS 41 6.934 4.429 0.392 254 HB3 CYS 41 HB1 CYS 41 5.184 4.475 0.594 255 H ARG 42 HN ARG 42 8.177 6.191 2.526 256 HA ARG 42 HA ARG 42 10.340 6.859 2.608 257 HB2 ARG 42 HB2 ARG 42 9.932 6.612 -0.342 258 HB3 ARG 42 HB1 ARG 42 11.398 7.389 0.229 259 HG2 ARG 42 HG2 ARG 42 12.040 5.181 -0.048 260 HG3 ARG 42 HG1 ARG 42 11.706 5.280 1.679 261 HD2 ARG 42 HD2 ARG 42 9.633 4.348 -0.293 262 HD3 ARG 42 HD1 ARG 42 10.815 3.245 0.408 263 HE ARG 42 HE ARG 42 9.282 4.826 2.298 264 HH11 ARG 42 HH11 ARG 42 9.561 1.748 0.629 265 HH12 ARG 42 HH12 ARG 42 8.565 0.909 1.771 266 HH21 ARG 42 HH21 ARG 42 7.984 3.707 3.780 267 HH22 ARG 42 HH22 ARG 42 7.674 2.018 3.553 268 H GLY 43 HN GLY 43 7.985 8.897 2.245 269 HA2 GLY 43 HA2 GLY 43 8.180 11.162 3.005 270 HA3 GLY 43 HA1 GLY 43 9.747 11.255 2.217 Start of MODEL 4 1 H1 GLN 1 HT1 GLN 1 -6.865 0.549 10.801 2 H2 GLN 1 HT2 GLN 1 -7.503 -0.943 10.328 3 H3 GLN 1 HT3 GLN 1 -8.336 0.485 9.969 4 HA GLN 1 HA GLN 1 -5.687 -0.285 8.892 5 HB2 GLN 1 HB2 GLN 1 -8.461 -0.343 7.697 6 HB3 GLN 1 HB1 GLN 1 -7.011 -0.340 6.702 7 HG2 GLN 1 HG2 GLN 1 -6.281 -2.417 7.756 8 HG3 GLN 1 HG1 GLN 1 -7.731 -2.419 8.759 9 HE21 GLN 1 HE21 GLN 1 -9.722 -2.876 7.820 10 HE22 GLN 1 HE22 GLN 1 -9.856 -3.624 6.268 11 H ASN 2 HN ASN 2 -4.725 1.185 7.509 12 HA ASN 2 HA ASN 2 -5.600 3.956 7.834 13 HB2 ASN 2 HB2 ASN 2 -2.992 2.767 6.852 14 HB3 ASN 2 HB1 ASN 2 -3.327 4.492 6.815 15 HD21 ASN 2 HD21 ASN 2 -2.688 1.733 8.827 16 HD22 ASN 2 HD22 ASN 2 -2.360 2.610 10.278 17 H CYS 3 HN CYS 3 -5.256 1.475 5.455 18 HA CYS 3 HA CYS 3 -6.557 3.166 3.442 19 HB2 CYS 3 HB2 CYS 3 -4.007 1.614 3.031 20 HB3 CYS 3 HB1 CYS 3 -4.960 2.296 1.720 21 H GLY 4 HN GLY 4 -6.474 1.471 1.314 22 HA2 GLY 4 HA2 GLY 4 -6.735 -1.003 0.976 23 HA3 GLY 4 HA1 GLY 4 -7.858 -0.929 2.322 24 H ARG 5 HN ARG 5 -8.688 -2.073 0.100 25 HA ARG 5 HA ARG 5 -10.149 -0.161 -1.503 26 HB2 ARG 5 HB2 ARG 5 -10.998 -2.250 -2.698 27 HB3 ARG 5 HB1 ARG 5 -9.266 -1.985 -2.775 28 HG2 ARG 5 HG2 ARG 5 -8.947 -3.659 -0.997 29 HG3 ARG 5 HG1 ARG 5 -10.690 -3.936 -0.967 30 HD2 ARG 5 HD2 ARG 5 -10.619 -4.652 -3.301 31 HD3 ARG 5 HD1 ARG 5 -8.882 -4.354 -3.346 32 HE ARG 5 HE ARG 5 -9.542 -6.156 -1.258 33 HH11 ARG 5 HH11 ARG 5 -9.168 -6.042 -4.748 34 HH12 ARG 5 HH12 ARG 5 -8.779 -7.725 -4.876 35 HH21 ARG 5 HH21 ARG 5 -9.029 -8.355 -1.449 36 HH22 ARG 5 HH22 ARG 5 -8.701 -9.032 -3.009 37 H GLN 6 HN GLN 6 -10.564 -1.264 1.470 38 HA GLN 6 HA GLN 6 -13.491 -1.561 1.325 39 HB2 GLN 6 HB2 GLN 6 -11.635 -2.459 3.537 40 HB3 GLN 6 HB1 GLN 6 -13.373 -2.701 3.492 41 HG2 GLN 6 HG2 GLN 6 -13.033 -4.073 1.424 42 HG3 GLN 6 HG1 GLN 6 -11.299 -3.958 1.718 43 HE21 GLN 6 HE21 GLN 6 -14.314 -5.290 2.815 44 HE22 GLN 6 HE22 GLN 6 -13.639 -6.443 3.910 45 H ALA 7 HN ALA 7 -10.848 0.174 2.752 46 HA ALA 7 HA ALA 7 -12.438 1.621 4.677 47 HB1 ALA 7 HB1 ALA 7 -9.591 2.080 3.784 48 HB2 ALA 7 HB2 ALA 7 -10.096 1.057 5.130 49 HB3 ALA 7 HB3 ALA 7 -10.368 2.798 5.196 50 H GLY 8 HN GLY 8 -12.436 1.827 1.455 51 HA2 GLY 8 HA2 GLY 8 -13.632 3.493 0.263 52 HA3 GLY 8 HA1 GLY 8 -13.152 4.671 1.475 53 H ASN 9 HN ASN 9 -10.862 2.443 0.051 54 HA ASN 9 HA ASN 9 -8.928 2.732 -1.098 55 HB2 ASN 9 HB2 ASN 9 -10.750 4.546 -2.693 56 HB3 ASN 9 HB1 ASN 9 -9.114 4.143 -3.202 57 HD21 ASN 9 HD21 ASN 9 -12.338 2.957 -2.706 58 HD22 ASN 9 HD22 ASN 9 -12.147 1.477 -3.575 59 H ARG 10 HN ARG 10 -9.068 4.255 1.239 60 HA ARG 10 HA ARG 10 -8.128 6.935 0.789 61 HB2 ARG 10 HB2 ARG 10 -8.391 5.210 3.246 62 HB3 ARG 10 HB1 ARG 10 -7.660 6.807 3.307 63 HG2 ARG 10 HG2 ARG 10 -9.737 7.790 2.467 64 HG3 ARG 10 HG1 ARG 10 -10.470 6.185 2.418 65 HD2 ARG 10 HD2 ARG 10 -10.160 5.972 4.835 66 HD3 ARG 10 HD1 ARG 10 -9.423 7.573 4.884 67 HE ARG 10 HE ARG 10 -11.965 7.771 3.708 68 HH11 ARG 10 HH11 ARG 10 -10.542 7.158 6.860 69 HH12 ARG 10 HH12 ARG 10 -11.904 7.788 7.725 70 HH21 ARG 10 HH21 ARG 10 -13.710 8.598 6.594 71 HH22 ARG 10 HH22 ARG 10 -13.737 8.590 4.861 72 H ALA 11 HN ALA 11 -6.064 7.749 1.579 73 HA ALA 11 HA ALA 11 -3.874 5.828 1.124 74 HB1 ALA 11 HB1 ALA 11 -4.062 8.781 0.571 75 HB2 ALA 11 HB2 ALA 11 -3.889 7.469 -0.595 76 HB3 ALA 11 HB3 ALA 11 -2.556 7.870 0.488 77 H CYS 12 HN CYS 12 -1.876 6.126 2.351 78 HA CYS 12 HA CYS 12 -2.447 6.930 5.106 79 HB2 CYS 12 HB2 CYS 12 -0.017 5.611 3.878 80 HB3 CYS 12 HB1 CYS 12 -0.181 5.975 5.593 81 H ALA 13 HN ALA 13 -2.040 8.918 5.856 82 HA ALA 13 HA ALA 13 0.205 10.427 4.708 83 HB1 ALA 13 HB1 ALA 13 -1.107 12.455 4.559 84 HB2 ALA 13 HB2 ALA 13 -2.529 11.604 5.162 85 HB3 ALA 13 HB3 ALA 13 -1.842 11.173 3.596 86 H ASN 14 HN ASN 14 1.167 9.616 6.720 87 HA ASN 14 HA ASN 14 1.090 11.653 8.763 88 HB2 ASN 14 HB2 ASN 14 0.292 8.805 9.368 89 HB3 ASN 14 HB1 ASN 14 0.986 9.846 10.606 90 HD21 ASN 14 HD21 ASN 14 -0.191 11.606 11.358 91 HD22 ASN 14 HD22 ASN 14 -1.891 11.754 11.088 92 H GLN 15 HN GLN 15 2.220 8.343 8.462 93 HA GLN 15 HA GLN 15 4.981 9.077 8.059 94 HB2 GLN 15 HB2 GLN 15 4.045 7.779 10.617 95 HB3 GLN 15 HB1 GLN 15 5.670 7.509 10.003 96 HG2 GLN 15 HG2 GLN 15 6.112 9.908 10.109 97 HG3 GLN 15 HG1 GLN 15 4.481 10.180 10.720 98 HE21 GLN 15 HE21 GLN 15 7.647 8.946 11.438 99 HE22 GLN 15 HE22 GLN 15 7.439 8.832 13.150 100 H LEU 16 HN LEU 16 2.489 6.731 8.538 101 HA LEU 16 HA LEU 16 3.808 4.421 7.595 102 HB2 LEU 16 HB2 LEU 16 0.961 5.223 8.081 103 HB3 LEU 16 HB1 LEU 16 1.327 3.686 7.325 104 HG LEU 16 HG LEU 16 2.839 3.322 9.383 105 HD11 LEU 16 HD11 LEU 16 2.668 5.569 10.309 106 HD12 LEU 16 HD12 LEU 16 1.994 4.387 11.430 107 HD13 LEU 16 HD13 LEU 16 0.920 5.388 10.453 108 HD21 LEU 16 HD21 LEU 16 -0.164 3.227 9.556 109 HD22 LEU 16 HD22 LEU 16 0.945 2.328 10.592 110 HD23 LEU 16 HD23 LEU 16 0.884 1.989 8.862 111 H CYS 17 HN CYS 17 2.789 3.112 5.806 112 HA CYS 17 HA CYS 17 1.953 4.637 3.476 113 HB2 CYS 17 HB2 CYS 17 3.827 3.132 2.201 114 HB3 CYS 17 HB1 CYS 17 4.119 4.784 2.729 115 H CYS 18 HN CYS 18 0.663 3.573 2.113 116 HA CYS 18 HA CYS 18 0.218 0.700 2.656 117 HB2 CYS 18 HB2 CYS 18 -2.187 1.215 2.075 118 HB3 CYS 18 HB1 CYS 18 -1.611 1.924 3.579 119 H SER 19 HN SER 19 -1.443 -0.150 1.004 120 HA SER 19 HA SER 19 -0.840 0.582 -1.763 121 HB2 SER 19 HB2 SER 19 -0.647 -1.894 -2.303 122 HB3 SER 19 HB1 SER 19 0.690 -1.259 -1.345 123 HG SER 19 HG SER 19 0.200 -2.734 0.052 124 H GLN 20 HN GLN 20 -2.391 -0.556 -3.307 125 HA GLN 20 HA GLN 20 -5.075 -0.178 -2.406 126 HB2 GLN 20 HB2 GLN 20 -3.915 -1.223 -4.993 127 HB3 GLN 20 HB1 GLN 20 -5.648 -1.107 -4.719 128 HG2 GLN 20 HG2 GLN 20 -5.436 1.302 -4.381 129 HG3 GLN 20 HG1 GLN 20 -3.697 1.187 -4.646 130 HE21 GLN 20 HE21 GLN 20 -2.920 0.791 -6.719 131 HE22 GLN 20 HE22 GLN 20 -3.903 1.003 -8.124 132 H TYR 21 HN TYR 21 -5.295 -1.593 -0.689 133 HA TYR 21 HA TYR 21 -6.363 -4.154 -1.221 134 HB2 TYR 21 HB2 TYR 21 -4.157 -5.020 -1.486 135 HB3 TYR 21 HB1 TYR 21 -3.536 -4.064 -0.151 136 HD1 TYR 21 HD1 TYR 21 -3.598 -4.897 2.096 137 HD2 TYR 21 HD2 TYR 21 -5.524 -7.042 -1.027 138 HE1 TYR 21 HE1 TYR 21 -3.853 -6.835 3.589 139 HE2 TYR 21 HE2 TYR 21 -5.789 -8.985 0.454 140 HH TYR 21 HH TYR 21 -5.293 -8.818 3.805 141 H GLY 22 HN GLY 22 -4.444 -2.841 1.424 142 HA2 GLY 22 HA2 GLY 22 -6.124 -1.690 3.118 143 HA3 GLY 22 HA1 GLY 22 -6.577 -3.373 3.332 144 H PHE 23 HN PHE 23 -3.287 -2.351 2.653 145 HA PHE 23 HA PHE 23 -2.614 -2.865 5.450 146 HB2 PHE 23 HB2 PHE 23 -1.998 -4.682 3.574 147 HB3 PHE 23 HB1 PHE 23 -0.588 -3.645 3.425 148 HD1 PHE 23 HD1 PHE 23 -0.217 -2.872 6.320 149 HD2 PHE 23 HD2 PHE 23 -1.110 -6.618 4.495 150 HE1 PHE 23 HE1 PHE 23 0.791 -4.043 8.232 151 HE2 PHE 23 HE2 PHE 23 -0.104 -7.788 6.407 152 HZ PHE 23 HZ PHE 23 0.847 -6.503 8.279 153 H CYS 24 HN CYS 24 -1.418 -1.417 6.396 154 HA CYS 24 HA CYS 24 0.284 0.396 4.836 155 HB2 CYS 24 HB2 CYS 24 -1.954 1.410 5.580 156 HB3 CYS 24 HB1 CYS 24 -1.315 1.311 7.216 157 H GLY 25 HN GLY 25 2.202 1.003 5.823 158 HA2 GLY 25 HA2 GLY 25 2.881 0.827 8.500 159 HA3 GLY 25 HA1 GLY 25 3.217 -0.756 7.821 160 H SER 26 HN SER 26 5.344 -0.902 7.671 161 HA SER 26 HA SER 26 6.801 1.151 6.150 162 HB2 SER 26 HB2 SER 26 7.625 -0.072 8.784 163 HB3 SER 26 HB1 SER 26 8.733 0.810 7.734 164 HG SER 26 HG SER 26 8.008 2.409 8.951 165 H THR 27 HN THR 27 6.169 -2.131 6.795 166 HA THR 27 HA THR 27 8.568 -3.343 5.929 167 HB THR 27 HB THR 27 5.874 -4.636 5.674 168 HG1 THR 27 HG1 THR 27 5.595 -4.250 7.728 169 HG21 THR 27 HG21 THR 27 8.567 -5.717 6.520 170 HG22 THR 27 HG22 THR 27 7.807 -5.961 4.947 171 HG23 THR 27 HG23 THR 27 7.075 -6.651 6.394 172 H SER 28 HN SER 28 8.840 -4.673 3.987 173 HA SER 28 HA SER 28 8.238 -3.154 1.618 174 HB2 SER 28 HB2 SER 28 9.804 -5.704 2.019 175 HB3 SER 28 HB1 SER 28 9.687 -4.830 0.493 176 HG SER 28 HG SER 28 11.062 -4.171 2.829 177 H GLU 29 HN GLU 29 5.887 -3.599 2.049 178 HA GLU 29 HA GLU 29 4.924 -5.550 0.147 179 HB2 GLU 29 HB2 GLU 29 4.244 -5.766 3.088 180 HB3 GLU 29 HB1 GLU 29 3.164 -6.378 1.846 181 HG2 GLU 29 HG2 GLU 29 6.026 -7.263 2.022 182 HG3 GLU 29 HG1 GLU 29 4.753 -8.026 2.972 183 H TYR 30 HN TYR 30 4.410 -3.092 2.508 184 HA TYR 30 HA TYR 30 2.087 -2.042 1.048 185 HB2 TYR 30 HB2 TYR 30 2.213 -0.772 3.554 186 HB3 TYR 30 HB1 TYR 30 1.056 -1.992 3.048 187 HD1 TYR 30 HD1 TYR 30 3.576 -1.174 5.411 188 HD2 TYR 30 HD2 TYR 30 1.823 -4.491 3.396 189 HE1 TYR 30 HE1 TYR 30 4.366 -2.675 7.187 190 HE2 TYR 30 HE2 TYR 30 2.610 -5.993 5.166 191 HH TYR 30 HH TYR 30 4.361 -6.052 6.884 192 H CYS 31 HN CYS 31 5.341 -1.573 1.510 193 HA CYS 31 HA CYS 31 5.122 1.265 0.818 194 HB2 CYS 31 HB2 CYS 31 7.161 0.158 2.755 195 HB3 CYS 31 HB1 CYS 31 6.985 1.842 2.271 196 H SER 32 HN SER 32 5.747 -1.347 -0.648 197 HA SER 32 HA SER 32 8.446 -0.795 -1.639 198 HB2 SER 32 HB2 SER 32 6.552 -3.107 -2.109 199 HB3 SER 32 HB1 SER 32 8.113 -2.941 -2.915 200 HG SER 32 HG SER 32 8.679 -4.063 -1.190 201 H ARG 33 HN ARG 33 8.875 -0.043 -3.661 202 HA ARG 33 HA ARG 33 6.719 1.211 -5.086 203 HB2 ARG 33 HB2 ARG 33 8.520 2.060 -6.584 204 HB3 ARG 33 HB1 ARG 33 8.736 2.449 -4.888 205 HG2 ARG 33 HG2 ARG 33 10.406 0.664 -4.692 206 HG3 ARG 33 HG1 ARG 33 10.189 0.280 -6.401 207 HD2 ARG 33 HD2 ARG 33 10.934 2.535 -6.998 208 HD3 ARG 33 HD1 ARG 33 11.152 2.913 -5.289 209 HE ARG 33 HE ARG 33 12.650 0.624 -5.902 210 HH11 ARG 33 HH11 ARG 33 12.688 4.066 -6.600 211 HH12 ARG 33 HH12 ARG 33 14.406 4.119 -6.817 212 HH21 ARG 33 HH21 ARG 33 14.897 0.718 -6.191 213 HH22 ARG 33 HH22 ARG 33 15.654 2.225 -6.586 214 H ALA 34 HN ALA 34 6.311 -1.491 -5.118 215 HA ALA 34 HA ALA 34 6.283 -2.055 -7.977 216 HB1 ALA 34 HB1 ALA 34 6.989 -4.370 -7.674 217 HB2 ALA 34 HB2 ALA 34 7.223 -4.082 -5.951 218 HB3 ALA 34 HB3 ALA 34 8.246 -3.260 -7.128 219 H ASN 35 HN ASN 35 5.210 -2.914 -4.756 220 HA ASN 35 HA ASN 35 2.483 -3.327 -5.709 221 HB2 ASN 35 HB2 ASN 35 4.083 -5.431 -4.247 222 HB3 ASN 35 HB1 ASN 35 2.323 -5.431 -4.269 223 HD21 ASN 35 HD21 ASN 35 1.241 -5.870 -6.191 224 HD22 ASN 35 HD22 ASN 35 2.030 -6.607 -7.539 225 H GLY 36 HN GLY 36 4.701 -2.326 -3.335 226 HA2 GLY 36 HA2 GLY 36 2.752 -2.230 -1.168 227 HA3 GLY 36 HA1 GLY 36 4.448 -1.819 -1.055 228 H CYS 37 HN CYS 37 5.148 0.240 -1.877 229 HA CYS 37 HA CYS 37 3.532 2.388 -1.092 230 HB2 CYS 37 HB2 CYS 37 5.851 2.722 -0.985 231 HB3 CYS 37 HB1 CYS 37 6.104 2.167 -2.631 232 H GLN 38 HN GLN 38 1.583 2.560 -2.077 233 HA GLN 38 HA GLN 38 1.605 3.170 -4.971 234 HB2 GLN 38 HB2 GLN 38 -0.771 1.961 -3.562 235 HB3 GLN 38 HB1 GLN 38 -0.490 2.104 -5.289 236 HG2 GLN 38 HG2 GLN 38 1.534 0.557 -4.829 237 HG3 GLN 38 HG1 GLN 38 0.677 0.173 -3.340 238 HE21 GLN 38 HE21 GLN 38 0.631 -0.032 -6.813 239 HE22 GLN 38 HE22 GLN 38 -0.622 -1.216 -6.930 240 H SER 39 HN SER 39 0.100 3.756 -1.825 241 HA SER 39 HA SER 39 -1.384 6.047 -2.801 242 HB2 SER 39 HB2 SER 39 -1.430 4.193 -0.588 243 HB3 SER 39 HB1 SER 39 -1.506 5.851 0.003 244 HG SER 39 HG SER 39 -3.585 4.988 -0.474 245 H ASN 40 HN ASN 40 -1.021 7.498 -0.202 246 HA ASN 40 HA ASN 40 1.194 9.132 -0.920 247 HB2 ASN 40 HB2 ASN 40 -0.737 9.059 1.368 248 HB3 ASN 40 HB1 ASN 40 0.694 10.077 1.484 249 HD21 ASN 40 HD21 ASN 40 -2.317 9.534 -0.159 250 HD22 ASN 40 HD22 ASN 40 -2.403 11.073 -0.940 251 H CYS 41 HN CYS 41 2.918 7.665 -0.997 252 HA CYS 41 HA CYS 41 3.973 6.838 1.624 253 HB2 CYS 41 HB2 CYS 41 5.188 5.043 0.170 254 HB3 CYS 41 HB1 CYS 41 3.485 4.809 0.552 255 H ARG 42 HN ARG 42 6.236 6.923 1.923 256 HA ARG 42 HA ARG 42 8.292 7.873 1.889 257 HB2 ARG 42 HB2 ARG 42 7.821 7.622 -1.076 258 HB3 ARG 42 HB1 ARG 42 9.316 8.287 -0.435 259 HG2 ARG 42 HG2 ARG 42 10.092 6.203 -0.336 260 HG3 ARG 42 HG1 ARG 42 8.940 5.903 0.964 261 HD2 ARG 42 HD2 ARG 42 8.598 4.204 -0.649 262 HD3 ARG 42 HD1 ARG 42 7.251 5.328 -0.811 263 HE ARG 42 HE ARG 42 8.488 6.267 -2.757 264 HH11 ARG 42 HH11 ARG 42 9.122 2.955 -1.768 265 HH12 ARG 42 HH12 ARG 42 9.655 2.467 -3.343 266 HH21 ARG 42 HH21 ARG 42 9.192 5.604 -4.807 267 HH22 ARG 42 HH22 ARG 42 9.694 3.966 -5.059 268 H GLY 43 HN GLY 43 5.742 9.633 1.631 269 HA2 GLY 43 HA2 GLY 43 5.700 11.935 2.233 270 HA3 GLY 43 HA1 GLY 43 7.228 12.155 1.394 Start of MODEL 5 1 H1 GLN 1 HT1 GLN 1 -2.998 -1.984 10.147 2 H2 GLN 1 HT2 GLN 1 -4.131 -0.920 10.813 3 H3 GLN 1 HT3 GLN 1 -2.530 -0.421 10.596 4 HA GLN 1 HA GLN 1 -2.733 -0.549 8.232 5 HB2 GLN 1 HB2 GLN 1 -4.998 -0.951 7.214 6 HB3 GLN 1 HB1 GLN 1 -4.312 -2.367 7.986 7 HG2 GLN 1 HG2 GLN 1 -6.241 -0.640 9.486 8 HG3 GLN 1 HG1 GLN 1 -6.827 -1.799 8.295 9 HE21 GLN 1 HE21 GLN 1 -5.423 -1.360 11.415 10 HE22 GLN 1 HE22 GLN 1 -5.522 -3.006 11.928 11 H ASN 2 HN ASN 2 -3.463 1.231 6.986 12 HA ASN 2 HA ASN 2 -4.867 3.331 8.492 13 HB2 ASN 2 HB2 ASN 2 -2.123 3.374 7.759 14 HB3 ASN 2 HB1 ASN 2 -2.944 4.526 6.714 15 HD21 ASN 2 HD21 ASN 2 -3.952 6.317 7.621 16 HD22 ASN 2 HD22 ASN 2 -3.620 6.840 9.233 17 H CYS 3 HN CYS 3 -4.431 1.635 5.538 18 HA CYS 3 HA CYS 3 -6.689 2.823 4.298 19 HB2 CYS 3 HB2 CYS 3 -5.583 4.689 3.576 20 HB3 CYS 3 HB1 CYS 3 -4.012 3.931 3.702 21 H GLY 4 HN GLY 4 -6.576 2.192 1.768 22 HA2 GLY 4 HA2 GLY 4 -5.471 0.415 0.342 23 HA3 GLY 4 HA1 GLY 4 -5.801 -0.652 1.691 24 H ARG 5 HN ARG 5 -6.958 -1.907 -0.002 25 HA ARG 5 HA ARG 5 -9.450 -0.751 -0.930 26 HB2 ARG 5 HB2 ARG 5 -9.742 -2.875 -2.205 27 HB3 ARG 5 HB1 ARG 5 -8.229 -2.065 -2.564 28 HG2 ARG 5 HG2 ARG 5 -6.996 -3.658 -1.263 29 HG3 ARG 5 HG1 ARG 5 -8.485 -4.395 -0.669 30 HD2 ARG 5 HD2 ARG 5 -7.694 -5.820 -2.376 31 HD3 ARG 5 HD1 ARG 5 -9.033 -4.919 -3.082 32 HE ARG 5 HE ARG 5 -6.620 -3.574 -3.621 33 HH11 ARG 5 HH11 ARG 5 -8.319 -6.494 -4.583 34 HH12 ARG 5 HH12 ARG 5 -7.579 -6.546 -6.149 35 HH21 ARG 5 HH21 ARG 5 -5.665 -3.663 -5.675 36 HH22 ARG 5 HH22 ARG 5 -6.078 -4.944 -6.765 37 H GLN 6 HN GLN 6 -8.728 -1.745 1.954 38 HA GLN 6 HA GLN 6 -11.207 -3.277 2.394 39 HB2 GLN 6 HB2 GLN 6 -8.577 -3.361 3.856 40 HB3 GLN 6 HB1 GLN 6 -10.055 -3.993 4.566 41 HG2 GLN 6 HG2 GLN 6 -10.286 -5.511 2.624 42 HG3 GLN 6 HG1 GLN 6 -8.729 -4.933 2.034 43 HE21 GLN 6 HE21 GLN 6 -6.851 -5.525 3.111 44 HE22 GLN 6 HE22 GLN 6 -6.812 -6.816 4.259 45 H ALA 7 HN ALA 7 -9.394 -0.469 3.226 46 HA ALA 7 HA ALA 7 -11.061 0.211 5.517 47 HB1 ALA 7 HB1 ALA 7 -8.651 0.640 5.609 48 HB2 ALA 7 HB2 ALA 7 -9.580 2.129 5.773 49 HB3 ALA 7 HB3 ALA 7 -8.797 1.743 4.241 50 H GLY 8 HN GLY 8 -11.450 0.421 2.265 51 HA2 GLY 8 HA2 GLY 8 -13.364 1.447 1.279 52 HA3 GLY 8 HA1 GLY 8 -13.284 2.706 2.504 53 H ASN 9 HN ASN 9 -10.438 1.618 0.815 54 HA ASN 9 HA ASN 9 -8.897 2.648 -0.469 55 HB2 ASN 9 HB2 ASN 9 -11.405 3.621 -1.853 56 HB3 ASN 9 HB1 ASN 9 -9.787 3.893 -2.493 57 HD21 ASN 9 HD21 ASN 9 -8.598 2.148 -3.266 58 HD22 ASN 9 HD22 ASN 9 -9.334 0.633 -3.644 59 H ARG 10 HN ARG 10 -8.379 3.847 1.513 60 HA ARG 10 HA ARG 10 -8.904 6.731 1.339 61 HB2 ARG 10 HB2 ARG 10 -7.908 4.941 3.558 62 HB3 ARG 10 HB1 ARG 10 -7.772 6.691 3.656 63 HG2 ARG 10 HG2 ARG 10 -10.208 6.882 3.432 64 HG3 ARG 10 HG1 ARG 10 -10.329 5.123 3.376 65 HD2 ARG 10 HD2 ARG 10 -9.353 4.981 5.612 66 HD3 ARG 10 HD1 ARG 10 -9.212 6.738 5.667 67 HE ARG 10 HE ARG 10 -11.890 5.970 5.156 68 HH11 ARG 10 HH11 ARG 10 -9.562 6.129 7.781 69 HH12 ARG 10 HH12 ARG 10 -10.779 6.280 9.004 70 HH21 ARG 10 HH21 ARG 10 -12.986 6.303 8.434 71 HH22 ARG 10 HH22 ARG 10 -13.465 6.169 6.774 72 H ALA 11 HN ALA 11 -6.518 7.559 2.750 73 HA ALA 11 HA ALA 11 -4.265 6.643 1.153 74 HB1 ALA 11 HB1 ALA 11 -5.107 9.540 1.098 75 HB2 ALA 11 HB2 ALA 11 -5.252 8.400 -0.241 76 HB3 ALA 11 HB3 ALA 11 -3.658 8.861 0.356 77 H CYS 12 HN CYS 12 -2.289 6.947 2.121 78 HA CYS 12 HA CYS 12 -2.358 8.024 4.860 79 HB2 CYS 12 HB2 CYS 12 -0.245 6.256 3.603 80 HB3 CYS 12 HB1 CYS 12 -0.410 6.661 5.309 81 H ALA 13 HN ALA 13 -1.336 9.865 5.342 82 HA ALA 13 HA ALA 13 0.782 10.847 3.553 83 HB1 ALA 13 HB1 ALA 13 -0.164 13.076 3.523 84 HB2 ALA 13 HB2 ALA 13 -1.517 12.535 4.515 85 HB3 ALA 13 HB3 ALA 13 -1.315 11.906 2.880 86 H ASN 14 HN ASN 14 0.114 9.982 6.625 87 HA ASN 14 HA ASN 14 1.393 12.193 7.992 88 HB2 ASN 14 HB2 ASN 14 0.266 9.580 8.981 89 HB3 ASN 14 HB1 ASN 14 1.089 10.724 10.035 90 HD21 ASN 14 HD21 ASN 14 0.113 12.691 10.510 91 HD22 ASN 14 HD22 ASN 14 -1.568 12.972 10.228 92 H GLN 15 HN GLN 15 2.045 8.722 8.141 93 HA GLN 15 HA GLN 15 4.880 9.149 7.626 94 HB2 GLN 15 HB2 GLN 15 3.801 7.980 10.186 95 HB3 GLN 15 HB1 GLN 15 5.426 7.628 9.618 96 HG2 GLN 15 HG2 GLN 15 5.967 10.010 9.689 97 HG3 GLN 15 HG1 GLN 15 4.337 10.360 10.261 98 HE21 GLN 15 HE21 GLN 15 3.758 9.797 12.360 99 HE22 GLN 15 HE22 GLN 15 4.935 9.420 13.567 100 H LEU 16 HN LEU 16 2.247 6.938 8.217 101 HA LEU 16 HA LEU 16 3.403 4.537 7.385 102 HB2 LEU 16 HB2 LEU 16 0.595 5.556 7.575 103 HB3 LEU 16 HB1 LEU 16 0.923 3.968 6.913 104 HG LEU 16 HG LEU 16 2.175 3.523 9.086 105 HD11 LEU 16 HD11 LEU 16 2.292 5.805 9.923 106 HD12 LEU 16 HD12 LEU 16 1.403 4.778 11.049 107 HD13 LEU 16 HD13 LEU 16 0.531 5.882 9.984 108 HD21 LEU 16 HD21 LEU 16 -0.073 2.613 8.403 109 HD22 LEU 16 HD22 LEU 16 -0.781 3.889 9.395 110 HD23 LEU 16 HD23 LEU 16 0.247 2.665 10.134 111 H CYS 17 HN CYS 17 2.342 3.237 5.553 112 HA CYS 17 HA CYS 17 2.000 4.799 3.131 113 HB2 CYS 17 HB2 CYS 17 3.665 2.855 2.136 114 HB3 CYS 17 HB1 CYS 17 4.162 4.495 2.535 115 H CYS 18 HN CYS 18 0.438 4.186 2.005 116 HA CYS 18 HA CYS 18 -0.816 1.593 2.467 117 HB2 CYS 18 HB2 CYS 18 -2.163 3.602 2.771 118 HB3 CYS 18 HB1 CYS 18 -1.823 4.099 1.126 119 H SER 19 HN SER 19 -1.647 0.334 0.815 120 HA SER 19 HA SER 19 -0.848 0.836 -1.940 121 HB2 SER 19 HB2 SER 19 0.100 -1.449 -2.206 122 HB3 SER 19 HB1 SER 19 1.027 -0.504 -1.042 123 HG SER 19 HG SER 19 0.079 -2.837 -0.626 124 H GLN 20 HN GLN 20 -1.926 -0.756 -3.461 125 HA GLN 20 HA GLN 20 -4.690 -1.016 -2.776 126 HB2 GLN 20 HB2 GLN 20 -3.085 -1.859 -5.188 127 HB3 GLN 20 HB1 GLN 20 -4.797 -2.223 -5.038 128 HG2 GLN 20 HG2 GLN 20 -5.226 0.215 -4.785 129 HG3 GLN 20 HG1 GLN 20 -3.520 0.499 -5.128 130 HE21 GLN 20 HE21 GLN 20 -2.732 0.117 -7.202 131 HE22 GLN 20 HE22 GLN 20 -3.779 -0.033 -8.569 132 H TYR 21 HN TYR 21 -4.624 -2.331 -0.935 133 HA TYR 21 HA TYR 21 -4.879 -5.146 -1.422 134 HB2 TYR 21 HB2 TYR 21 -2.531 -5.304 -1.189 135 HB3 TYR 21 HB1 TYR 21 -2.486 -4.090 0.077 136 HD1 TYR 21 HD1 TYR 21 -3.849 -7.527 -0.532 137 HD2 TYR 21 HD2 TYR 21 -2.138 -4.801 2.252 138 HE1 TYR 21 HE1 TYR 21 -3.773 -9.313 1.155 139 HE2 TYR 21 HE2 TYR 21 -2.060 -6.582 3.947 140 HH TYR 21 HH TYR 21 -3.181 -8.708 4.443 141 H GLY 22 HN GLY 22 -4.717 -2.492 0.829 142 HA2 GLY 22 HA2 GLY 22 -6.761 -2.126 2.197 143 HA3 GLY 22 HA1 GLY 22 -6.717 -3.845 2.532 144 H PHE 23 HN PHE 23 -3.605 -2.514 2.432 145 HA PHE 23 HA PHE 23 -3.593 -2.065 5.325 146 HB2 PHE 23 HB2 PHE 23 -2.725 -4.400 4.400 147 HB3 PHE 23 HB1 PHE 23 -1.254 -3.471 4.152 148 HD1 PHE 23 HD1 PHE 23 -3.145 -5.370 6.444 149 HD2 PHE 23 HD2 PHE 23 -0.372 -2.144 6.226 150 HE1 PHE 23 HE1 PHE 23 -2.568 -5.710 8.810 151 HE2 PHE 23 HE2 PHE 23 0.207 -2.481 8.594 152 HZ PHE 23 HZ PHE 23 -0.891 -4.266 9.888 153 H CYS 24 HN CYS 24 -2.189 -0.627 6.116 154 HA CYS 24 HA CYS 24 -0.227 0.697 4.394 155 HB2 CYS 24 HB2 CYS 24 -2.256 2.072 4.353 156 HB3 CYS 24 HB1 CYS 24 -2.316 2.061 6.103 157 H GLY 25 HN GLY 25 1.697 1.057 5.460 158 HA2 GLY 25 HA2 GLY 25 1.936 1.453 8.244 159 HA3 GLY 25 HA1 GLY 25 2.222 -0.237 7.882 160 H SER 26 HN SER 26 4.251 -0.806 7.520 161 HA SER 26 HA SER 26 6.123 1.074 6.276 162 HB2 SER 26 HB2 SER 26 6.536 -0.239 8.963 163 HB3 SER 26 HB1 SER 26 7.840 0.490 8.027 164 HG SER 26 HG SER 26 7.142 2.087 9.349 165 H THR 27 HN THR 27 5.067 -2.131 6.843 166 HA THR 27 HA THR 27 7.420 -3.566 6.152 167 HB THR 27 HB THR 27 4.660 -4.674 5.749 168 HG1 THR 27 HG1 THR 27 4.235 -4.198 7.759 169 HG21 THR 27 HG21 THR 27 5.681 -6.720 6.666 170 HG22 THR 27 HG22 THR 27 7.212 -5.865 6.855 171 HG23 THR 27 HG23 THR 27 6.553 -6.148 5.244 172 H SER 28 HN SER 28 7.570 -5.037 4.247 173 HA SER 28 HA SER 28 7.292 -3.500 1.814 174 HB2 SER 28 HB2 SER 28 9.368 -4.728 2.470 175 HB3 SER 28 HB1 SER 28 8.502 -6.239 2.197 176 HG SER 28 HG SER 28 9.739 -5.549 0.368 177 H GLU 29 HN GLU 29 4.825 -3.951 2.434 178 HA GLU 29 HA GLU 29 3.853 -5.751 0.362 179 HB2 GLU 29 HB2 GLU 29 2.955 -5.895 3.253 180 HB3 GLU 29 HB1 GLU 29 1.990 -6.527 1.929 181 HG2 GLU 29 HG2 GLU 29 4.812 -7.433 2.367 182 HG3 GLU 29 HG1 GLU 29 3.467 -8.151 3.250 183 H TYR 30 HN TYR 30 3.185 -3.397 2.837 184 HA TYR 30 HA TYR 30 1.049 -2.165 1.276 185 HB2 TYR 30 HB2 TYR 30 1.535 -0.690 3.656 186 HB3 TYR 30 HB1 TYR 30 0.145 -1.693 3.278 187 HD1 TYR 30 HD1 TYR 30 0.733 -4.376 3.630 188 HD2 TYR 30 HD2 TYR 30 2.575 -1.119 5.671 189 HE1 TYR 30 HE1 TYR 30 1.295 -5.869 5.494 190 HE2 TYR 30 HE2 TYR 30 3.143 -2.612 7.535 191 HH TYR 30 HH TYR 30 2.921 -5.992 7.325 192 H CYS 31 HN CYS 31 4.314 -1.821 2.221 193 HA CYS 31 HA CYS 31 4.523 0.802 0.902 194 HB2 CYS 31 HB2 CYS 31 6.453 -0.305 2.950 195 HB3 CYS 31 HB1 CYS 31 6.358 1.344 2.342 196 H SER 32 HN SER 32 4.665 -0.383 -1.107 197 HA SER 32 HA SER 32 6.801 -2.256 -1.527 198 HB2 SER 32 HB2 SER 32 4.822 -0.926 -3.358 199 HB3 SER 32 HB1 SER 32 6.103 -1.972 -3.969 200 HG SER 32 HG SER 32 4.256 -2.759 -1.967 201 H ARG 33 HN ARG 33 8.834 -1.820 -1.836 202 HA ARG 33 HA ARG 33 9.636 0.808 -2.855 203 HB2 ARG 33 HB2 ARG 33 11.929 0.172 -1.987 204 HB3 ARG 33 HB1 ARG 33 10.692 0.414 -0.768 205 HG2 ARG 33 HG2 ARG 33 11.606 -1.490 0.060 206 HG3 ARG 33 HG1 ARG 33 10.463 -2.236 -1.059 207 HD2 ARG 33 HD2 ARG 33 12.240 -2.366 -2.754 208 HD3 ARG 33 HD1 ARG 33 13.374 -1.659 -1.605 209 HE ARG 33 HE ARG 33 12.191 -3.948 -0.470 210 HH11 ARG 33 HH11 ARG 33 14.520 -3.098 -2.957 211 HH12 ARG 33 HH12 ARG 33 15.384 -4.593 -2.820 212 HH21 ARG 33 HH21 ARG 33 13.337 -5.898 -0.307 213 HH22 ARG 33 HH22 ARG 33 14.714 -6.176 -1.321 214 H ALA 34 HN ALA 34 9.679 -2.565 -3.538 215 HA ALA 34 HA ALA 34 11.324 -2.160 -5.939 216 HB1 ALA 34 HB1 ALA 34 10.594 -4.707 -4.500 217 HB2 ALA 34 HB2 ALA 34 12.164 -3.904 -4.487 218 HB3 ALA 34 HB3 ALA 34 11.552 -4.617 -5.978 219 H ASN 35 HN ASN 35 8.176 -3.022 -4.788 220 HA ASN 35 HA ASN 35 7.242 -3.812 -7.440 221 HB2 ASN 35 HB2 ASN 35 6.614 -4.869 -5.054 222 HB3 ASN 35 HB1 ASN 35 5.348 -3.650 -5.150 223 HD21 ASN 35 HD21 ASN 35 3.783 -3.799 -6.751 224 HD22 ASN 35 HD22 ASN 35 3.512 -5.258 -7.636 225 H GLY 36 HN GLY 36 7.286 -1.093 -5.349 226 HA2 GLY 36 HA2 GLY 36 6.813 1.109 -6.068 227 HA3 GLY 36 HA1 GLY 36 5.741 0.455 -7.295 228 H CYS 37 HN CYS 37 5.952 1.895 -4.239 229 HA CYS 37 HA CYS 37 3.397 0.975 -3.249 230 HB2 CYS 37 HB2 CYS 37 3.870 2.947 -1.553 231 HB3 CYS 37 HB1 CYS 37 4.785 1.448 -1.449 232 H GLN 38 HN GLN 38 1.704 2.631 -2.587 233 HA GLN 38 HA GLN 38 1.212 4.351 -4.920 234 HB2 GLN 38 HB2 GLN 38 -0.938 3.595 -2.975 235 HB3 GLN 38 HB1 GLN 38 -1.069 3.960 -4.689 236 HG2 GLN 38 HG2 GLN 38 0.390 1.517 -3.761 237 HG3 GLN 38 HG1 GLN 38 -1.371 1.526 -3.878 238 HE21 GLN 38 HE21 GLN 38 -2.343 1.707 -5.910 239 HE22 GLN 38 HE22 GLN 38 -1.473 1.399 -7.371 240 H SER 39 HN SER 39 0.219 4.430 -1.469 241 HA SER 39 HA SER 39 -0.238 7.220 -1.437 242 HB2 SER 39 HB2 SER 39 0.043 5.121 0.694 243 HB3 SER 39 HB1 SER 39 -0.281 6.807 1.092 244 HG SER 39 HG SER 39 -2.157 6.657 -0.234 245 H ASN 40 HN ASN 40 0.838 8.424 0.652 246 HA ASN 40 HA ASN 40 3.386 9.247 -0.156 247 HB2 ASN 40 HB2 ASN 40 1.593 10.374 1.405 248 HB3 ASN 40 HB1 ASN 40 2.506 9.587 2.688 249 HD21 ASN 40 HD21 ASN 40 4.617 10.237 3.103 250 HD22 ASN 40 HD22 ASN 40 5.249 11.734 2.514 251 H CYS 41 HN CYS 41 4.703 7.510 -0.410 252 HA CYS 41 HA CYS 41 5.652 6.168 2.039 253 HB2 CYS 41 HB2 CYS 41 6.201 4.240 0.581 254 HB3 CYS 41 HB1 CYS 41 4.489 4.644 0.479 255 H ARG 42 HN ARG 42 7.902 5.618 2.124 256 HA ARG 42 HA ARG 42 10.132 5.997 2.000 257 HB2 ARG 42 HB2 ARG 42 9.486 6.716 -0.864 258 HB3 ARG 42 HB1 ARG 42 11.123 6.594 -0.236 259 HG2 ARG 42 HG2 ARG 42 10.857 4.259 0.202 260 HG3 ARG 42 HG1 ARG 42 9.135 4.333 -0.172 261 HD2 ARG 42 HD2 ARG 42 11.299 4.979 -2.166 262 HD3 ARG 42 HD1 ARG 42 10.605 3.370 -1.978 263 HE ARG 42 HE ARG 42 8.461 5.049 -2.348 264 HH11 ARG 42 HH11 ARG 42 11.319 4.234 -4.220 265 HH12 ARG 42 HH12 ARG 42 10.545 4.526 -5.742 266 HH21 ARG 42 HH21 ARG 42 7.470 5.426 -4.352 267 HH22 ARG 42 HH22 ARG 42 8.369 5.200 -5.816 268 H GLY 43 HN GLY 43 8.051 8.360 2.313 269 HA2 GLY 43 HA2 GLY 43 8.598 10.394 3.424 270 HA3 GLY 43 HA1 GLY 43 10.137 10.412 2.578 Start of MODEL 6 1 H1 GLN 1 HT1 GLN 1 -4.652 -0.853 11.189 2 H2 GLN 1 HT2 GLN 1 -3.119 -0.331 10.703 3 H3 GLN 1 HT3 GLN 1 -3.598 -1.928 10.419 4 HA GLN 1 HA GLN 1 -3.692 -0.627 8.397 5 HB2 GLN 1 HB2 GLN 1 -6.309 -1.557 9.577 6 HB3 GLN 1 HB1 GLN 1 -6.171 -1.013 7.911 7 HG2 GLN 1 HG2 GLN 1 -4.678 -2.788 7.375 8 HG3 GLN 1 HG1 GLN 1 -4.531 -3.251 9.070 9 HE21 GLN 1 HE21 GLN 1 -6.548 -3.304 6.242 10 HE22 GLN 1 HE22 GLN 1 -7.675 -4.480 6.818 11 H ASN 2 HN ASN 2 -3.995 1.278 7.448 12 HA ASN 2 HA ASN 2 -5.619 3.302 8.834 13 HB2 ASN 2 HB2 ASN 2 -2.929 3.605 7.511 14 HB3 ASN 2 HB1 ASN 2 -3.973 4.983 7.797 15 HD21 ASN 2 HD21 ASN 2 -2.007 2.522 9.259 16 HD22 ASN 2 HD22 ASN 2 -1.926 3.233 10.832 17 H CYS 3 HN CYS 3 -4.347 2.208 5.753 18 HA CYS 3 HA CYS 3 -6.738 3.070 4.369 19 HB2 CYS 3 HB2 CYS 3 -5.416 4.369 2.685 20 HB3 CYS 3 HB1 CYS 3 -5.398 5.095 4.287 21 H GLY 4 HN GLY 4 -6.170 2.730 1.806 22 HA2 GLY 4 HA2 GLY 4 -4.607 1.165 0.505 23 HA3 GLY 4 HA1 GLY 4 -5.202 -0.043 1.623 24 H ARG 5 HN ARG 5 -7.173 -0.986 1.269 25 HA ARG 5 HA ARG 5 -8.835 0.017 -0.932 26 HB2 ARG 5 HB2 ARG 5 -8.008 -2.867 -0.583 27 HB3 ARG 5 HB1 ARG 5 -9.162 -2.275 -1.768 28 HG2 ARG 5 HG2 ARG 5 -7.214 -0.788 -2.574 29 HG3 ARG 5 HG1 ARG 5 -6.199 -1.914 -1.673 30 HD2 ARG 5 HD2 ARG 5 -8.189 -2.781 -3.766 31 HD3 ARG 5 HD1 ARG 5 -6.502 -2.431 -4.123 32 HE ARG 5 HE ARG 5 -6.708 -4.309 -2.009 33 HH11 ARG 5 HH11 ARG 5 -7.027 -4.094 -5.500 34 HH12 ARG 5 HH12 ARG 5 -6.637 -5.762 -5.753 35 HH21 ARG 5 HH21 ARG 5 -6.197 -6.490 -2.365 36 HH22 ARG 5 HH22 ARG 5 -6.168 -7.116 -3.980 37 H GLN 6 HN GLN 6 -8.499 -1.794 1.975 38 HA GLN 6 HA GLN 6 -11.246 -2.612 2.211 39 HB2 GLN 6 HB2 GLN 6 -8.902 -2.713 4.090 40 HB3 GLN 6 HB1 GLN 6 -10.513 -3.207 4.589 41 HG2 GLN 6 HG2 GLN 6 -10.543 -4.895 2.820 42 HG3 GLN 6 HG1 GLN 6 -8.924 -4.401 2.327 43 HE21 GLN 6 HE21 GLN 6 -7.167 -4.905 3.640 44 HE22 GLN 6 HE22 GLN 6 -7.263 -6.100 4.883 45 H ALA 7 HN ALA 7 -9.441 0.168 3.185 46 HA ALA 7 HA ALA 7 -11.469 1.063 5.080 47 HB1 ALA 7 HB1 ALA 7 -9.056 1.359 5.562 48 HB2 ALA 7 HB2 ALA 7 -9.962 2.872 5.588 49 HB3 ALA 7 HB3 ALA 7 -8.954 2.471 4.197 50 H GLY 8 HN GLY 8 -11.529 0.932 1.913 51 HA2 GLY 8 HA2 GLY 8 -13.179 2.024 0.593 52 HA3 GLY 8 HA1 GLY 8 -13.030 3.439 1.624 53 H ASN 9 HN ASN 9 -10.300 1.686 0.285 54 HA ASN 9 HA ASN 9 -8.546 2.287 -1.010 55 HB2 ASN 9 HB2 ASN 9 -10.789 3.538 -2.611 56 HB3 ASN 9 HB1 ASN 9 -9.130 3.449 -3.192 57 HD21 ASN 9 HD21 ASN 9 -8.249 1.448 -3.722 58 HD22 ASN 9 HD22 ASN 9 -9.237 0.056 -3.991 59 H ARG 10 HN ARG 10 -8.791 3.869 1.211 60 HA ARG 10 HA ARG 10 -8.434 6.657 0.486 61 HB2 ARG 10 HB2 ARG 10 -8.495 5.152 3.096 62 HB3 ARG 10 HB1 ARG 10 -7.986 6.832 3.028 63 HG2 ARG 10 HG2 ARG 10 -10.151 7.449 2.071 64 HG3 ARG 10 HG1 ARG 10 -10.660 5.761 2.146 65 HD2 ARG 10 HD2 ARG 10 -10.394 5.790 4.578 66 HD3 ARG 10 HD1 ARG 10 -9.883 7.475 4.503 67 HE ARG 10 HE ARG 10 -12.385 7.253 3.267 68 HH11 ARG 10 HH11 ARG 10 -11.016 7.000 6.492 69 HH12 ARG 10 HH12 ARG 10 -12.483 7.484 7.277 70 HH21 ARG 10 HH21 ARG 10 -14.336 7.984 6.044 71 HH22 ARG 10 HH22 ARG 10 -14.292 7.885 4.315 72 H ALA 11 HN ALA 11 -6.522 7.840 1.539 73 HA ALA 11 HA ALA 11 -4.044 6.296 1.104 74 HB1 ALA 11 HB1 ALA 11 -4.514 9.218 0.558 75 HB2 ALA 11 HB2 ALA 11 -4.443 7.939 -0.654 76 HB3 ALA 11 HB3 ALA 11 -3.010 8.336 0.293 77 H CYS 12 HN CYS 12 -2.253 6.724 2.432 78 HA CYS 12 HA CYS 12 -2.916 7.669 5.106 79 HB2 CYS 12 HB2 CYS 12 -0.849 5.980 3.896 80 HB3 CYS 12 HB1 CYS 12 -0.229 7.052 5.145 81 H ALA 13 HN ALA 13 -2.190 9.497 6.070 82 HA ALA 13 HA ALA 13 -0.337 11.228 4.573 83 HB1 ALA 13 HB1 ALA 13 -2.851 12.154 5.952 84 HB2 ALA 13 HB2 ALA 13 -2.631 11.995 4.209 85 HB3 ALA 13 HB3 ALA 13 -1.683 13.175 5.113 86 H ASN 14 HN ASN 14 -0.259 9.433 7.105 87 HA ASN 14 HA ASN 14 0.483 11.411 9.113 88 HB2 ASN 14 HB2 ASN 14 -0.965 9.306 9.560 89 HB3 ASN 14 HB1 ASN 14 0.565 8.441 9.553 90 HD21 ASN 14 HD21 ASN 14 -1.408 10.770 11.203 91 HD22 ASN 14 HD22 ASN 14 -0.508 10.792 12.678 92 H GLN 15 HN GLN 15 2.043 8.286 8.674 93 HA GLN 15 HA GLN 15 4.555 9.525 7.856 94 HB2 GLN 15 HB2 GLN 15 4.188 8.015 10.438 95 HB3 GLN 15 HB1 GLN 15 5.758 8.152 9.661 96 HG2 GLN 15 HG2 GLN 15 5.632 10.585 9.826 97 HG3 GLN 15 HG1 GLN 15 4.052 10.450 10.596 98 HE21 GLN 15 HE21 GLN 15 7.475 9.996 10.966 99 HE22 GLN 15 HE22 GLN 15 7.471 9.807 12.684 100 H LEU 16 HN LEU 16 2.504 6.781 8.142 101 HA LEU 16 HA LEU 16 4.444 5.039 6.810 102 HB2 LEU 16 HB2 LEU 16 2.711 3.230 7.264 103 HB3 LEU 16 HB1 LEU 16 3.520 3.897 8.661 104 HG LEU 16 HG LEU 16 0.815 4.911 7.838 105 HD11 LEU 16 HD11 LEU 16 -0.214 3.265 9.318 106 HD12 LEU 16 HD12 LEU 16 1.357 2.504 9.569 107 HD13 LEU 16 HD13 LEU 16 0.613 2.486 7.970 108 HD21 LEU 16 HD21 LEU 16 2.056 6.150 9.571 109 HD22 LEU 16 HD22 LEU 16 2.171 4.675 10.529 110 HD23 LEU 16 HD23 LEU 16 0.596 5.405 10.218 111 H CYS 17 HN CYS 17 2.735 3.296 5.424 112 HA CYS 17 HA CYS 17 1.097 4.829 3.624 113 HB2 CYS 17 HB2 CYS 17 2.504 5.064 1.833 114 HB3 CYS 17 HB1 CYS 17 3.764 4.882 3.041 115 H CYS 18 HN CYS 18 -0.292 3.690 2.434 116 HA CYS 18 HA CYS 18 -0.300 0.774 2.809 117 HB2 CYS 18 HB2 CYS 18 -2.669 1.031 1.842 118 HB3 CYS 18 HB1 CYS 18 -2.378 1.653 3.461 119 H SER 19 HN SER 19 -1.025 -0.611 1.140 120 HA SER 19 HA SER 19 -0.180 0.245 -1.559 121 HB2 SER 19 HB2 SER 19 0.425 -2.176 -1.914 122 HB3 SER 19 HB1 SER 19 1.371 -1.409 -0.638 123 HG SER 19 HG SER 19 0.607 -3.427 0.046 124 H GLN 20 HN GLN 20 -1.141 -1.670 -3.161 125 HA GLN 20 HA GLN 20 -3.982 -1.247 -3.152 126 HB2 GLN 20 HB2 GLN 20 -2.352 -1.402 -5.172 127 HB3 GLN 20 HB1 GLN 20 -2.518 -3.140 -4.988 128 HG2 GLN 20 HG2 GLN 20 -4.829 -3.064 -5.490 129 HG3 GLN 20 HG1 GLN 20 -4.871 -1.306 -5.357 130 HE21 GLN 20 HE21 GLN 20 -3.944 -4.020 -7.316 131 HE22 GLN 20 HE22 GLN 20 -3.671 -3.135 -8.774 132 H TYR 21 HN TYR 21 -4.326 -2.268 -1.045 133 HA TYR 21 HA TYR 21 -5.242 -4.972 -1.266 134 HB2 TYR 21 HB2 TYR 21 -3.009 -5.629 -0.773 135 HB3 TYR 21 HB1 TYR 21 -2.807 -4.344 0.405 136 HD1 TYR 21 HD1 TYR 21 -3.472 -4.645 2.693 137 HD2 TYR 21 HD2 TYR 21 -4.288 -7.660 -0.189 138 HE1 TYR 21 HE1 TYR 21 -4.012 -6.223 4.503 139 HE2 TYR 21 HE2 TYR 21 -4.834 -9.246 1.608 140 HH TYR 21 HH TYR 21 -5.322 -8.280 4.821 141 H GLY 22 HN GLY 22 -4.195 -2.796 1.301 142 HA2 GLY 22 HA2 GLY 22 -6.272 -1.529 2.270 143 HA3 GLY 22 HA1 GLY 22 -6.743 -3.160 2.698 144 H PHE 23 HN PHE 23 -3.400 -2.068 2.711 145 HA PHE 23 HA PHE 23 -3.435 -1.910 5.629 146 HB2 PHE 23 HB2 PHE 23 -2.774 -4.249 4.705 147 HB3 PHE 23 HB1 PHE 23 -1.261 -3.477 4.277 148 HD1 PHE 23 HD1 PHE 23 -0.183 -2.079 6.358 149 HD2 PHE 23 HD2 PHE 23 -2.839 -5.396 6.664 150 HE1 PHE 23 HE1 PHE 23 0.629 -2.523 8.639 151 HE2 PHE 23 HE2 PHE 23 -2.032 -5.839 8.942 152 HZ PHE 23 HZ PHE 23 -0.295 -4.402 9.932 153 H CYS 24 HN CYS 24 -2.564 -0.025 6.192 154 HA CYS 24 HA CYS 24 -0.423 1.197 4.631 155 HB2 CYS 24 HB2 CYS 24 -2.397 2.513 5.567 156 HB3 CYS 24 HB1 CYS 24 -1.684 2.240 7.154 157 H GLY 25 HN GLY 25 1.656 1.621 5.477 158 HA2 GLY 25 HA2 GLY 25 2.548 1.217 8.074 159 HA3 GLY 25 HA1 GLY 25 2.657 -0.341 7.283 160 H SER 26 HN SER 26 4.819 -0.585 7.138 161 HA SER 26 HA SER 26 6.258 1.253 5.355 162 HB2 SER 26 HB2 SER 26 7.221 0.333 8.065 163 HB3 SER 26 HB1 SER 26 8.259 1.089 6.856 164 HG SER 26 HG SER 26 6.525 2.237 8.587 165 H THR 27 HN THR 27 5.573 -1.885 6.439 166 HA THR 27 HA THR 27 7.832 -3.371 5.729 167 HB THR 27 HB THR 27 4.995 -4.356 5.484 168 HG1 THR 27 HG1 THR 27 4.963 -4.579 7.699 169 HG21 THR 27 HG21 THR 27 7.538 -5.717 6.398 170 HG22 THR 27 HG22 THR 27 6.729 -5.972 4.852 171 HG23 THR 27 HG23 THR 27 5.938 -6.459 6.351 172 H SER 28 HN SER 28 7.916 -4.982 3.913 173 HA SER 28 HA SER 28 7.733 -3.612 1.382 174 HB2 SER 28 HB2 SER 28 9.668 -5.003 2.175 175 HB3 SER 28 HB1 SER 28 8.655 -6.426 1.932 176 HG SER 28 HG SER 28 9.160 -6.331 -0.097 177 H GLU 29 HN GLU 29 5.198 -4.023 2.309 178 HA GLU 29 HA GLU 29 4.042 -5.671 0.211 179 HB2 GLU 29 HB2 GLU 29 3.398 -6.027 3.150 180 HB3 GLU 29 HB1 GLU 29 2.315 -6.557 1.872 181 HG2 GLU 29 HG2 GLU 29 5.157 -7.500 1.994 182 HG3 GLU 29 HG1 GLU 29 3.886 -8.278 2.936 183 H TYR 30 HN TYR 30 3.486 -3.604 2.975 184 HA TYR 30 HA TYR 30 1.197 -2.280 1.857 185 HB2 TYR 30 HB2 TYR 30 2.623 -1.095 4.163 186 HB3 TYR 30 HB1 TYR 30 0.902 -1.358 3.925 187 HD1 TYR 30 HD1 TYR 30 0.641 -4.246 3.587 188 HD2 TYR 30 HD2 TYR 30 3.270 -2.099 6.155 189 HE1 TYR 30 HE1 TYR 30 0.697 -6.163 5.120 190 HE2 TYR 30 HE2 TYR 30 3.330 -4.014 7.691 191 HH TYR 30 HH TYR 30 1.960 -5.971 8.261 192 H CYS 31 HN CYS 31 4.606 -1.762 2.169 193 HA CYS 31 HA CYS 31 4.401 0.625 0.488 194 HB2 CYS 31 HB2 CYS 31 6.253 0.245 2.847 195 HB3 CYS 31 HB1 CYS 31 6.430 1.532 1.661 196 H SER 32 HN SER 32 4.768 -0.611 -1.340 197 HA SER 32 HA SER 32 7.113 -2.308 -1.502 198 HB2 SER 32 HB2 SER 32 4.938 -1.593 -3.456 199 HB3 SER 32 HB1 SER 32 6.329 -2.578 -3.903 200 HG SER 32 HG SER 32 5.356 -3.564 -1.653 201 H ARG 33 HN ARG 33 8.967 -1.948 -2.523 202 HA ARG 33 HA ARG 33 9.412 0.717 -3.675 203 HB2 ARG 33 HB2 ARG 33 11.853 0.280 -3.207 204 HB3 ARG 33 HB1 ARG 33 10.837 0.459 -1.787 205 HG2 ARG 33 HG2 ARG 33 10.823 -1.968 -1.481 206 HG3 ARG 33 HG1 ARG 33 11.821 -2.159 -2.924 207 HD2 ARG 33 HD2 ARG 33 12.676 -0.513 -0.554 208 HD3 ARG 33 HD1 ARG 33 13.025 -2.234 -0.692 209 HE ARG 33 HE ARG 33 13.881 -0.888 -3.023 210 HH11 ARG 33 HH11 ARG 33 14.795 -1.288 0.345 211 HH12 ARG 33 HH12 ARG 33 16.474 -0.991 0.043 212 HH21 ARG 33 HH21 ARG 33 16.084 -0.501 -3.393 213 HH22 ARG 33 HH22 ARG 33 17.202 -0.545 -2.070 214 H ALA 34 HN ALA 34 9.637 -2.684 -4.232 215 HA ALA 34 HA ALA 34 10.857 -2.295 -6.866 216 HB1 ALA 34 HB1 ALA 34 11.887 -3.985 -5.424 217 HB2 ALA 34 HB2 ALA 34 11.214 -4.704 -6.888 218 HB3 ALA 34 HB3 ALA 34 10.353 -4.853 -5.356 219 H ASN 35 HN ASN 35 7.958 -3.394 -5.278 220 HA ASN 35 HA ASN 35 6.689 -4.117 -7.806 221 HB2 ASN 35 HB2 ASN 35 5.860 -4.469 -4.928 222 HB3 ASN 35 HB1 ASN 35 4.746 -4.756 -6.259 223 HD21 ASN 35 HD21 ASN 35 5.100 -6.492 -7.642 224 HD22 ASN 35 HD22 ASN 35 6.158 -7.792 -7.225 225 H GLY 36 HN GLY 36 6.843 -1.508 -5.586 226 HA2 GLY 36 HA2 GLY 36 6.118 0.679 -6.164 227 HA3 GLY 36 HA1 GLY 36 4.883 -0.029 -7.190 228 H CYS 37 HN CYS 37 5.333 1.697 -4.476 229 HA CYS 37 HA CYS 37 3.216 0.511 -2.866 230 HB2 CYS 37 HB2 CYS 37 3.733 2.626 -1.420 231 HB3 CYS 37 HB1 CYS 37 4.921 1.332 -1.490 232 H GLN 38 HN GLN 38 1.458 2.134 -1.986 233 HA GLN 38 HA GLN 38 0.446 3.550 -4.369 234 HB2 GLN 38 HB2 GLN 38 -1.116 2.329 -2.090 235 HB3 GLN 38 HB1 GLN 38 -1.805 3.117 -3.503 236 HG2 GLN 38 HG2 GLN 38 0.061 0.832 -3.913 237 HG3 GLN 38 HG1 GLN 38 -1.582 0.496 -3.367 238 HE21 GLN 38 HE21 GLN 38 0.396 1.698 -5.956 239 HE22 GLN 38 HE22 GLN 38 -0.827 1.684 -7.176 240 H SER 39 HN SER 39 0.375 3.782 -0.797 241 HA SER 39 HA SER 39 -0.522 6.518 -0.893 242 HB2 SER 39 HB2 SER 39 -1.221 4.823 0.835 243 HB3 SER 39 HB1 SER 39 0.406 4.925 1.493 244 HG SER 39 HG SER 39 0.060 7.065 1.987 245 H ASN 40 HN ASN 40 0.738 7.750 1.141 246 HA ASN 40 HA ASN 40 3.089 8.811 0.022 247 HB2 ASN 40 HB2 ASN 40 1.344 9.753 1.752 248 HB3 ASN 40 HB1 ASN 40 2.442 9.059 2.938 249 HD21 ASN 40 HD21 ASN 40 2.027 11.489 0.490 250 HD22 ASN 40 HD22 ASN 40 3.412 12.437 0.904 251 H CYS 41 HN CYS 41 4.449 7.033 -0.348 252 HA CYS 41 HA CYS 41 5.580 5.719 2.007 253 HB2 CYS 41 HB2 CYS 41 6.623 4.222 0.133 254 HB3 CYS 41 HB1 CYS 41 4.921 4.035 0.547 255 H ARG 42 HN ARG 42 7.291 5.891 -1.006 256 HA ARG 42 HA ARG 42 9.624 7.000 0.267 257 HB2 ARG 42 HB2 ARG 42 9.103 6.120 -2.580 258 HB3 ARG 42 HB1 ARG 42 10.657 6.709 -2.011 259 HG2 ARG 42 HG2 ARG 42 10.962 4.844 -0.598 260 HG3 ARG 42 HG1 ARG 42 9.276 4.354 -0.756 261 HD2 ARG 42 HD2 ARG 42 11.209 4.415 -3.066 262 HD3 ARG 42 HD1 ARG 42 10.936 2.987 -2.070 263 HE ARG 42 HE ARG 42 8.442 3.767 -2.914 264 HH11 ARG 42 HH11 ARG 42 11.411 2.815 -4.530 265 HH12 ARG 42 HH12 ARG 42 10.588 2.170 -5.910 266 HH21 ARG 42 HH21 ARG 42 7.386 2.917 -4.731 267 HH22 ARG 42 HH22 ARG 42 8.312 2.229 -6.023 268 H GLY 43 HN GLY 43 9.185 9.088 0.811 269 HA2 GLY 43 HA2 GLY 43 9.380 11.030 -1.344 270 HA3 GLY 43 HA1 GLY 43 7.910 11.118 -0.387 Start of MODEL 7 1 H1 GLN 1 HT1 GLN 1 -3.727 -1.669 10.650 2 H2 GLN 1 HT2 GLN 1 -4.888 -0.595 11.248 3 H3 GLN 1 HT3 GLN 1 -3.330 -0.043 10.894 4 HA GLN 1 HA GLN 1 -3.649 -0.478 8.560 5 HB2 GLN 1 HB2 GLN 1 -6.347 -1.441 9.515 6 HB3 GLN 1 HB1 GLN 1 -6.051 -0.980 7.844 7 HG2 GLN 1 HG2 GLN 1 -4.460 -2.723 7.562 8 HG3 GLN 1 HG1 GLN 1 -4.467 -3.089 9.285 9 HE21 GLN 1 HE21 GLN 1 -6.208 -4.200 10.172 10 HE22 GLN 1 HE22 GLN 1 -7.341 -5.066 9.195 11 H ASN 2 HN ASN 2 -3.891 1.372 7.496 12 HA ASN 2 HA ASN 2 -5.627 3.439 8.665 13 HB2 ASN 2 HB2 ASN 2 -2.954 3.696 7.295 14 HB3 ASN 2 HB1 ASN 2 -4.029 5.068 7.475 15 HD21 ASN 2 HD21 ASN 2 -1.979 2.796 9.107 16 HD22 ASN 2 HD22 ASN 2 -1.909 3.629 10.618 17 H CYS 3 HN CYS 3 -4.414 2.047 5.685 18 HA CYS 3 HA CYS 3 -6.846 2.688 4.290 19 HB2 CYS 3 HB2 CYS 3 -5.246 3.747 2.413 20 HB3 CYS 3 HB1 CYS 3 -6.030 4.725 3.646 21 H GLY 4 HN GLY 4 -6.325 2.288 1.759 22 HA2 GLY 4 HA2 GLY 4 -4.716 0.742 0.464 23 HA3 GLY 4 HA1 GLY 4 -5.297 -0.459 1.603 24 H ARG 5 HN ARG 5 -6.929 -1.687 0.863 25 HA ARG 5 HA ARG 5 -8.893 -0.432 -0.923 26 HB2 ARG 5 HB2 ARG 5 -9.032 -2.480 -2.290 27 HB3 ARG 5 HB1 ARG 5 -7.412 -1.808 -2.324 28 HG2 ARG 5 HG2 ARG 5 -6.608 -3.519 -0.845 29 HG3 ARG 5 HG1 ARG 5 -8.245 -4.127 -0.590 30 HD2 ARG 5 HD2 ARG 5 -6.934 -4.041 -3.298 31 HD3 ARG 5 HD1 ARG 5 -6.801 -5.427 -2.218 32 HE ARG 5 HE ARG 5 -9.518 -4.726 -2.575 33 HH11 ARG 5 HH11 ARG 5 -6.874 -6.266 -4.301 34 HH12 ARG 5 HH12 ARG 5 -7.925 -7.229 -5.285 35 HH21 ARG 5 HH21 ARG 5 -10.874 -5.996 -3.874 36 HH22 ARG 5 HH22 ARG 5 -10.187 -7.075 -5.042 37 H GLN 6 HN GLN 6 -8.653 -1.344 2.017 38 HA GLN 6 HA GLN 6 -11.180 -2.865 2.129 39 HB2 GLN 6 HB2 GLN 6 -8.804 -2.953 3.986 40 HB3 GLN 6 HB1 GLN 6 -10.369 -3.632 4.404 41 HG2 GLN 6 HG2 GLN 6 -10.221 -5.138 2.477 42 HG3 GLN 6 HG1 GLN 6 -8.637 -4.469 2.088 43 HE21 GLN 6 HE21 GLN 6 -10.453 -6.465 4.275 44 HE22 GLN 6 HE22 GLN 6 -9.097 -7.190 5.062 45 H ALA 7 HN ALA 7 -9.532 -0.007 3.059 46 HA ALA 7 HA ALA 7 -11.415 0.651 5.192 47 HB1 ALA 7 HB1 ALA 7 -8.990 1.108 5.454 48 HB2 ALA 7 HB2 ALA 7 -10.005 2.536 5.654 49 HB3 ALA 7 HB3 ALA 7 -9.114 2.293 4.152 50 H GLY 8 HN GLY 8 -11.088 1.129 1.843 51 HA2 GLY 8 HA2 GLY 8 -13.171 2.043 0.806 52 HA3 GLY 8 HA1 GLY 8 -12.980 3.401 1.905 53 H ASN 9 HN ASN 9 -10.368 1.784 0.192 54 HA ASN 9 HA ASN 9 -8.755 2.493 -1.224 55 HB2 ASN 9 HB2 ASN 9 -11.145 3.869 -2.465 56 HB3 ASN 9 HB1 ASN 9 -9.554 3.852 -3.219 57 HD21 ASN 9 HD21 ASN 9 -8.733 1.918 -4.022 58 HD22 ASN 9 HD22 ASN 9 -9.741 0.546 -4.313 59 H ARG 10 HN ARG 10 -8.945 3.975 1.182 60 HA ARG 10 HA ARG 10 -8.517 6.775 0.572 61 HB2 ARG 10 HB2 ARG 10 -8.474 5.157 3.118 62 HB3 ARG 10 HB1 ARG 10 -7.964 6.840 3.090 63 HG2 ARG 10 HG2 ARG 10 -10.176 7.484 2.248 64 HG3 ARG 10 HG1 ARG 10 -10.683 5.795 2.318 65 HD2 ARG 10 HD2 ARG 10 -10.286 5.777 4.732 66 HD3 ARG 10 HD1 ARG 10 -9.772 7.463 4.662 67 HE ARG 10 HE ARG 10 -12.364 7.189 3.568 68 HH11 ARG 10 HH11 ARG 10 -10.731 7.182 6.678 69 HH12 ARG 10 HH12 ARG 10 -12.131 7.723 7.542 70 HH21 ARG 10 HH21 ARG 10 -14.082 8.126 6.434 71 HH22 ARG 10 HH22 ARG 10 -14.182 7.895 4.720 72 H ALA 11 HN ALA 11 -6.507 7.837 1.655 73 HA ALA 11 HA ALA 11 -4.113 6.225 1.053 74 HB1 ALA 11 HB1 ALA 11 -3.041 8.215 0.167 75 HB2 ALA 11 HB2 ALA 11 -4.496 9.157 0.491 76 HB3 ALA 11 HB3 ALA 11 -4.532 7.864 -0.707 77 H CYS 12 HN CYS 12 -2.202 6.708 2.229 78 HA CYS 12 HA CYS 12 -2.718 7.663 4.939 79 HB2 CYS 12 HB2 CYS 12 -0.891 5.776 3.701 80 HB3 CYS 12 HB1 CYS 12 -0.038 6.886 4.766 81 H ALA 13 HN ALA 13 -2.036 9.547 5.737 82 HA ALA 13 HA ALA 13 -0.008 11.087 4.261 83 HB1 ALA 13 HB1 ALA 13 -1.294 13.126 4.557 84 HB2 ALA 13 HB2 ALA 13 -2.572 12.219 5.365 85 HB3 ALA 13 HB3 ALA 13 -2.225 11.925 3.661 86 H ASN 14 HN ASN 14 -0.200 9.480 6.902 87 HA ASN 14 HA ASN 14 0.443 11.549 8.845 88 HB2 ASN 14 HB2 ASN 14 0.006 8.581 9.122 89 HB3 ASN 14 HB1 ASN 14 0.562 9.589 10.453 90 HD21 ASN 14 HD21 ASN 14 -2.092 8.809 8.357 91 HD22 ASN 14 HD22 ASN 14 -3.314 9.630 9.262 92 H GLN 15 HN GLN 15 1.972 8.384 8.600 93 HA GLN 15 HA GLN 15 4.569 9.583 8.017 94 HB2 GLN 15 HB2 GLN 15 3.943 8.038 10.526 95 HB3 GLN 15 HB1 GLN 15 5.580 8.164 9.899 96 HG2 GLN 15 HG2 GLN 15 5.464 10.598 10.090 97 HG3 GLN 15 HG1 GLN 15 3.825 10.467 10.724 98 HE21 GLN 15 HE21 GLN 15 3.505 9.672 12.802 99 HE22 GLN 15 HE22 GLN 15 4.788 9.566 13.954 100 H LEU 16 HN LEU 16 2.481 6.839 8.145 101 HA LEU 16 HA LEU 16 4.495 5.135 6.872 102 HB2 LEU 16 HB2 LEU 16 2.729 3.304 7.240 103 HB3 LEU 16 HB1 LEU 16 3.575 3.909 8.644 104 HG LEU 16 HG LEU 16 0.855 4.955 7.900 105 HD11 LEU 16 HD11 LEU 16 1.449 2.532 9.594 106 HD12 LEU 16 HD12 LEU 16 0.670 2.525 8.011 107 HD13 LEU 16 HD13 LEU 16 -0.131 3.287 9.384 108 HD21 LEU 16 HD21 LEU 16 2.159 6.167 9.623 109 HD22 LEU 16 HD22 LEU 16 2.254 4.682 10.566 110 HD23 LEU 16 HD23 LEU 16 0.690 5.444 10.277 111 H CYS 17 HN CYS 17 2.762 3.373 5.449 112 HA CYS 17 HA CYS 17 1.296 4.996 3.562 113 HB2 CYS 17 HB2 CYS 17 2.803 3.870 1.662 114 HB3 CYS 17 HB1 CYS 17 3.252 5.406 2.397 115 H CYS 18 HN CYS 18 -0.118 4.027 2.328 116 HA CYS 18 HA CYS 18 -0.584 1.166 2.810 117 HB2 CYS 18 HB2 CYS 18 -2.858 2.002 1.611 118 HB3 CYS 18 HB1 CYS 18 -2.602 2.068 3.349 119 H SER 19 HN SER 19 -1.314 -0.205 1.227 120 HA SER 19 HA SER 19 -0.614 0.498 -1.552 121 HB2 SER 19 HB2 SER 19 0.087 -1.902 -1.812 122 HB3 SER 19 HB1 SER 19 1.076 -1.030 -0.638 123 HG SER 19 HG SER 19 0.088 -3.231 -0.114 124 H GLN 20 HN GLN 20 -1.635 -1.457 -3.014 125 HA GLN 20 HA GLN 20 -4.490 -1.264 -2.617 126 HB2 GLN 20 HB2 GLN 20 -3.070 -1.231 -4.850 127 HB3 GLN 20 HB1 GLN 20 -3.262 -2.976 -4.750 128 HG2 GLN 20 HG2 GLN 20 -5.684 -2.721 -4.743 129 HG3 GLN 20 HG1 GLN 20 -5.507 -0.968 -4.808 130 HE21 GLN 20 HE21 GLN 20 -4.810 0.001 -6.714 131 HE22 GLN 20 HE22 GLN 20 -4.834 -0.829 -8.229 132 H TYR 21 HN TYR 21 -4.261 -2.414 -0.513 133 HA TYR 21 HA TYR 21 -4.987 -5.195 -0.777 134 HB2 TYR 21 HB2 TYR 21 -2.697 -5.682 -0.616 135 HB3 TYR 21 HB1 TYR 21 -2.392 -4.356 0.492 136 HD1 TYR 21 HD1 TYR 21 -2.035 -4.848 2.725 137 HD2 TYR 21 HD2 TYR 21 -4.226 -7.620 0.358 138 HE1 TYR 21 HE1 TYR 21 -2.090 -6.414 4.619 139 HE2 TYR 21 HE2 TYR 21 -4.285 -9.196 2.244 140 HH TYR 21 HH TYR 21 -3.010 -9.663 4.294 141 H GLY 22 HN GLY 22 -4.703 -2.281 1.049 142 HA2 GLY 22 HA2 GLY 22 -6.453 -1.584 2.552 143 HA3 GLY 22 HA1 GLY 22 -6.756 -3.272 2.908 144 H PHE 23 HN PHE 23 -3.505 -1.935 2.820 145 HA PHE 23 HA PHE 23 -3.397 -1.830 5.733 146 HB2 PHE 23 HB2 PHE 23 -2.766 -4.170 4.749 147 HB3 PHE 23 HB1 PHE 23 -1.262 -3.377 4.316 148 HD1 PHE 23 HD1 PHE 23 -2.862 -5.281 6.737 149 HD2 PHE 23 HD2 PHE 23 -0.105 -2.056 6.354 150 HE1 PHE 23 HE1 PHE 23 -2.019 -5.740 8.999 151 HE2 PHE 23 HE2 PHE 23 0.739 -2.512 8.620 152 HZ PHE 23 HZ PHE 23 -0.215 -4.356 9.944 153 H CYS 24 HN CYS 24 -2.474 0.022 6.278 154 HA CYS 24 HA CYS 24 -0.368 1.206 4.638 155 HB2 CYS 24 HB2 CYS 24 -2.278 2.593 5.520 156 HB3 CYS 24 HB1 CYS 24 -1.645 2.301 7.137 157 H GLY 25 HN GLY 25 1.709 1.691 5.474 158 HA2 GLY 25 HA2 GLY 25 2.661 1.308 8.041 159 HA3 GLY 25 HA1 GLY 25 2.752 -0.264 7.275 160 H SER 26 HN SER 26 4.848 -0.606 6.868 161 HA SER 26 HA SER 26 6.249 1.276 5.115 162 HB2 SER 26 HB2 SER 26 7.356 0.257 7.732 163 HB3 SER 26 HB1 SER 26 8.315 1.070 6.496 164 HG SER 26 HG SER 26 6.381 2.689 6.826 165 H THR 27 HN THR 27 5.598 -1.891 6.174 166 HA THR 27 HA THR 27 7.801 -3.362 5.275 167 HB THR 27 HB THR 27 4.952 -4.343 5.213 168 HG1 THR 27 HG1 THR 27 5.018 -4.532 7.396 169 HG21 THR 27 HG21 THR 27 6.639 -5.938 4.408 170 HG22 THR 27 HG22 THR 27 5.944 -6.470 5.939 171 HG23 THR 27 HG23 THR 27 7.546 -5.735 5.907 172 H SER 28 HN SER 28 7.788 -4.910 3.419 173 HA SER 28 HA SER 28 7.406 -3.488 0.942 174 HB2 SER 28 HB2 SER 28 8.590 -6.147 1.689 175 HB3 SER 28 HB1 SER 28 8.441 -5.624 0.011 176 HG SER 28 HG SER 28 10.429 -4.952 0.644 177 H GLU 29 HN GLU 29 4.941 -3.903 1.983 178 HA GLU 29 HA GLU 29 3.663 -5.523 -0.060 179 HB2 GLU 29 HB2 GLU 29 3.205 -5.949 2.904 180 HB3 GLU 29 HB1 GLU 29 2.038 -6.445 1.687 181 HG2 GLU 29 HG2 GLU 29 4.879 -7.398 1.604 182 HG3 GLU 29 HG1 GLU 29 3.666 -8.198 2.601 183 H TYR 30 HN TYR 30 3.311 -3.495 2.759 184 HA TYR 30 HA TYR 30 0.930 -2.170 1.850 185 HB2 TYR 30 HB2 TYR 30 2.553 -0.998 4.029 186 HB3 TYR 30 HB1 TYR 30 0.817 -1.250 3.937 187 HD1 TYR 30 HD1 TYR 30 3.264 -1.959 6.025 188 HD2 TYR 30 HD2 TYR 30 0.612 -4.191 3.552 189 HE1 TYR 30 HE1 TYR 30 3.438 -3.866 7.559 190 HE2 TYR 30 HE2 TYR 30 0.786 -6.103 5.083 191 HH TYR 30 HH TYR 30 2.154 -5.862 8.178 192 H CYS 31 HN CYS 31 4.345 -1.673 1.846 193 HA CYS 31 HA CYS 31 4.019 0.744 0.232 194 HB2 CYS 31 HB2 CYS 31 6.203 0.394 2.292 195 HB3 CYS 31 HB1 CYS 31 5.882 1.818 1.321 196 H SER 32 HN SER 32 4.285 -0.480 -1.623 197 HA SER 32 HA SER 32 6.640 -2.133 -1.960 198 HB2 SER 32 HB2 SER 32 4.306 -1.431 -3.718 199 HB3 SER 32 HB1 SER 32 5.699 -2.309 -4.344 200 HG SER 32 HG SER 32 4.455 -3.917 -3.650 201 H ARG 33 HN ARG 33 8.489 -1.619 -2.885 202 HA ARG 33 HA ARG 33 8.783 1.043 -4.077 203 HB2 ARG 33 HB2 ARG 33 11.248 0.709 -3.672 204 HB3 ARG 33 HB1 ARG 33 10.263 0.821 -2.225 205 HG2 ARG 33 HG2 ARG 33 10.373 -1.598 -1.942 206 HG3 ARG 33 HG1 ARG 33 11.313 -1.741 -3.428 207 HD2 ARG 33 HD2 ARG 33 13.082 -0.369 -2.426 208 HD3 ARG 33 HD1 ARG 33 12.143 -0.251 -0.939 209 HE ARG 33 HE ARG 33 12.433 -2.946 -1.438 210 HH11 ARG 33 HH11 ARG 33 14.618 -0.263 -0.834 211 HH12 ARG 33 HH12 ARG 33 15.831 -1.265 -0.108 212 HH21 ARG 33 HH21 ARG 33 14.034 -4.237 -0.487 213 HH22 ARG 33 HH22 ARG 33 15.500 -3.513 0.086 214 H ALA 34 HN ALA 34 9.252 -2.348 -4.642 215 HA ALA 34 HA ALA 34 10.339 -1.871 -7.317 216 HB1 ALA 34 HB1 ALA 34 11.522 -3.486 -5.907 217 HB2 ALA 34 HB2 ALA 34 10.864 -4.246 -7.355 218 HB3 ALA 34 HB3 ALA 34 10.056 -4.460 -5.802 219 H ASN 35 HN ASN 35 7.549 -3.110 -5.654 220 HA ASN 35 HA ASN 35 6.276 -3.969 -8.137 221 HB2 ASN 35 HB2 ASN 35 5.572 -4.315 -5.229 222 HB3 ASN 35 HB1 ASN 35 4.398 -4.649 -6.498 223 HD21 ASN 35 HD21 ASN 35 7.384 -5.617 -5.017 224 HD22 ASN 35 HD22 ASN 35 7.486 -7.171 -5.763 225 H GLY 36 HN GLY 36 6.402 -1.238 -6.105 226 HA2 GLY 36 HA2 GLY 36 5.498 0.863 -6.689 227 HA3 GLY 36 HA1 GLY 36 4.279 0.047 -7.655 228 H CYS 37 HN CYS 37 4.773 1.807 -4.912 229 HA CYS 37 HA CYS 37 2.724 0.531 -3.284 230 HB2 CYS 37 HB2 CYS 37 3.349 2.031 -1.547 231 HB3 CYS 37 HB1 CYS 37 4.860 1.621 -2.346 232 H GLN 38 HN GLN 38 1.129 2.298 -2.214 233 HA GLN 38 HA GLN 38 -0.133 3.662 -4.503 234 HB2 GLN 38 HB2 GLN 38 -1.434 2.558 -2.009 235 HB3 GLN 38 HB1 GLN 38 -2.270 3.341 -3.340 236 HG2 GLN 38 HG2 GLN 38 -0.580 0.944 -3.887 237 HG3 GLN 38 HG1 GLN 38 -2.180 0.731 -3.177 238 HE21 GLN 38 HE21 GLN 38 -0.391 1.727 -5.980 239 HE22 GLN 38 HE22 GLN 38 -1.726 1.763 -7.077 240 H SER 39 HN SER 39 0.482 3.927 -1.014 241 HA SER 39 HA SER 39 -0.255 6.750 -1.058 242 HB2 SER 39 HB2 SER 39 -1.009 5.124 0.754 243 HB3 SER 39 HB1 SER 39 0.660 5.141 1.322 244 HG SER 39 HG SER 39 -0.729 7.554 0.923 245 H ASN 40 HN ASN 40 1.289 7.823 0.865 246 HA ASN 40 HA ASN 40 3.698 8.487 -0.468 247 HB2 ASN 40 HB2 ASN 40 2.165 9.809 1.210 248 HB3 ASN 40 HB1 ASN 40 3.214 9.087 2.424 249 HD21 ASN 40 HD21 ASN 40 3.015 11.312 -0.237 250 HD22 ASN 40 HD22 ASN 40 4.528 12.099 0.040 251 H CYS 41 HN CYS 41 4.774 6.469 -0.693 252 HA CYS 41 HA CYS 41 5.812 5.271 1.759 253 HB2 CYS 41 HB2 CYS 41 6.462 3.360 0.385 254 HB3 CYS 41 HB1 CYS 41 4.765 3.740 0.114 255 H ARG 42 HN ARG 42 7.059 6.154 -1.416 256 HA ARG 42 HA ARG 42 9.746 6.479 -0.320 257 HB2 ARG 42 HB2 ARG 42 8.726 6.382 -3.158 258 HB3 ARG 42 HB1 ARG 42 10.401 6.718 -2.747 259 HG2 ARG 42 HG2 ARG 42 10.701 4.547 -1.830 260 HG3 ARG 42 HG1 ARG 42 8.971 4.209 -1.899 261 HD2 ARG 42 HD2 ARG 42 10.647 4.755 -4.342 262 HD3 ARG 42 HD1 ARG 42 10.383 3.136 -3.699 263 HE ARG 42 HE ARG 42 7.880 4.269 -4.022 264 HH11 ARG 42 HH11 ARG 42 10.555 3.401 -6.125 265 HH12 ARG 42 HH12 ARG 42 9.535 3.111 -7.494 266 HH21 ARG 42 HH21 ARG 42 6.564 3.883 -5.827 267 HH22 ARG 42 HH22 ARG 42 7.277 3.384 -7.325 268 H GLY 43 HN GLY 43 7.138 8.328 -1.664 269 HA2 GLY 43 HA2 GLY 43 7.481 10.736 -0.630 270 HA3 GLY 43 HA1 GLY 43 8.748 10.762 -1.847 Start of MODEL 8 1 H1 GLN 1 HT1 GLN 1 -3.269 -0.078 10.462 2 H2 GLN 1 HT2 GLN 1 -3.792 -1.674 10.264 3 H3 GLN 1 HT3 GLN 1 -4.820 -0.531 10.968 4 HA GLN 1 HA GLN 1 -3.841 -0.485 8.173 5 HB2 GLN 1 HB2 GLN 1 -6.483 -1.284 9.389 6 HB3 GLN 1 HB1 GLN 1 -6.331 -0.829 7.699 7 HG2 GLN 1 HG2 GLN 1 -4.865 -2.660 7.265 8 HG3 GLN 1 HG1 GLN 1 -4.758 -3.047 8.980 9 HE21 GLN 1 HE21 GLN 1 -6.734 -3.175 6.126 10 HE22 GLN 1 HE22 GLN 1 -7.901 -4.293 6.736 11 H ASN 2 HN ASN 2 -4.044 1.386 7.145 12 HA ASN 2 HA ASN 2 -5.678 3.510 8.362 13 HB2 ASN 2 HB2 ASN 2 -2.907 3.735 7.182 14 HB3 ASN 2 HB1 ASN 2 -3.941 5.132 7.431 15 HD21 ASN 2 HD21 ASN 2 -4.391 5.821 9.520 16 HD22 ASN 2 HD22 ASN 2 -3.467 5.294 10.882 17 H CYS 3 HN CYS 3 -4.424 2.057 5.451 18 HA CYS 3 HA CYS 3 -6.601 3.090 3.869 19 HB2 CYS 3 HB2 CYS 3 -5.421 5.014 3.473 20 HB3 CYS 3 HB1 CYS 3 -3.873 4.250 3.778 21 H GLY 4 HN GLY 4 -6.364 2.425 1.520 22 HA2 GLY 4 HA2 GLY 4 -4.820 0.810 0.181 23 HA3 GLY 4 HA1 GLY 4 -5.368 -0.328 1.397 24 H ARG 5 HN ARG 5 -7.060 -1.523 0.840 25 HA ARG 5 HA ARG 5 -9.033 -0.443 -1.048 26 HB2 ARG 5 HB2 ARG 5 -7.546 -2.055 -2.163 27 HB3 ARG 5 HB1 ARG 5 -7.928 -3.260 -0.943 28 HG2 ARG 5 HG2 ARG 5 -10.162 -3.439 -1.697 29 HG3 ARG 5 HG1 ARG 5 -9.986 -2.032 -2.746 30 HD2 ARG 5 HD2 ARG 5 -8.351 -3.251 -4.104 31 HD3 ARG 5 HD1 ARG 5 -8.522 -4.654 -3.048 32 HE ARG 5 HE ARG 5 -11.048 -3.921 -4.055 33 HH11 ARG 5 HH11 ARG 5 -8.056 -5.397 -5.155 34 HH12 ARG 5 HH12 ARG 5 -8.833 -6.307 -6.408 35 HH21 ARG 5 HH21 ARG 5 -12.041 -5.121 -5.701 36 HH22 ARG 5 HH22 ARG 5 -11.087 -6.149 -6.715 37 H GLN 6 HN GLN 6 -8.382 -2.046 1.888 38 HA GLN 6 HA GLN 6 -11.073 -3.092 2.254 39 HB2 GLN 6 HB2 GLN 6 -8.575 -3.255 3.923 40 HB3 GLN 6 HB1 GLN 6 -10.130 -3.834 4.500 41 HG2 GLN 6 HG2 GLN 6 -10.240 -5.393 2.615 42 HG3 GLN 6 HG1 GLN 6 -8.668 -4.821 2.060 43 HE21 GLN 6 HE21 GLN 6 -10.369 -6.659 4.468 44 HE22 GLN 6 HE22 GLN 6 -8.985 -7.438 5.146 45 H ALA 7 HN ALA 7 -9.156 -0.391 3.265 46 HA ALA 7 HA ALA 7 -10.953 0.384 5.412 47 HB1 ALA 7 HB1 ALA 7 -9.416 2.245 5.750 48 HB2 ALA 7 HB2 ALA 7 -8.563 1.826 4.265 49 HB3 ALA 7 HB3 ALA 7 -8.535 0.721 5.638 50 H GLY 8 HN GLY 8 -11.586 0.376 2.348 51 HA2 GLY 8 HA2 GLY 8 -13.312 1.524 1.245 52 HA3 GLY 8 HA1 GLY 8 -13.148 2.840 2.399 53 H ASN 9 HN ASN 9 -10.271 1.625 0.980 54 HA ASN 9 HA ASN 9 -8.660 2.504 -0.324 55 HB2 ASN 9 HB2 ASN 9 -11.067 3.326 -1.969 56 HB3 ASN 9 HB1 ASN 9 -9.406 3.510 -2.526 57 HD21 ASN 9 HD21 ASN 9 -8.214 1.694 -3.064 58 HD22 ASN 9 HD22 ASN 9 -8.944 0.147 -3.306 59 H ARG 10 HN ARG 10 -8.221 3.921 1.512 60 HA ARG 10 HA ARG 10 -8.836 6.756 1.062 61 HB2 ARG 10 HB2 ARG 10 -7.848 5.215 3.463 62 HB3 ARG 10 HB1 ARG 10 -7.799 6.970 3.409 63 HG2 ARG 10 HG2 ARG 10 -10.236 7.008 3.076 64 HG3 ARG 10 HG1 ARG 10 -10.262 5.249 3.199 65 HD2 ARG 10 HD2 ARG 10 -9.369 5.386 5.466 66 HD3 ARG 10 HD1 ARG 10 -9.310 7.144 5.343 67 HE ARG 10 HE ARG 10 -11.929 6.160 4.841 68 HH11 ARG 10 HH11 ARG 10 -9.709 6.850 7.472 69 HH12 ARG 10 HH12 ARG 10 -10.975 7.099 8.627 70 HH21 ARG 10 HH21 ARG 10 -13.158 6.896 8.003 71 HH22 ARG 10 HH22 ARG 10 -13.570 6.491 6.370 72 H ALA 11 HN ALA 11 -6.523 7.736 2.540 73 HA ALA 11 HA ALA 11 -4.237 6.920 0.897 74 HB1 ALA 11 HB1 ALA 11 -5.249 8.825 -0.258 75 HB2 ALA 11 HB2 ALA 11 -3.655 9.224 0.380 76 HB3 ALA 11 HB3 ALA 11 -5.103 9.790 1.212 77 H CYS 12 HN CYS 12 -2.361 6.820 2.003 78 HA CYS 12 HA CYS 12 -2.387 7.685 4.806 79 HB2 CYS 12 HB2 CYS 12 -0.703 5.734 3.254 80 HB3 CYS 12 HB1 CYS 12 -0.211 6.299 4.848 81 H ALA 13 HN ALA 13 -1.564 9.606 5.267 82 HA ALA 13 HA ALA 13 0.936 10.465 4.002 83 HB1 ALA 13 HB1 ALA 13 -0.864 11.503 2.709 84 HB2 ALA 13 HB2 ALA 13 0.090 12.705 3.577 85 HB3 ALA 13 HB3 ALA 13 -1.498 12.235 4.183 86 H ASN 14 HN ASN 14 0.045 9.497 6.728 87 HA ASN 14 HA ASN 14 0.518 11.838 8.393 88 HB2 ASN 14 HB2 ASN 14 -0.301 9.017 9.062 89 HB3 ASN 14 HB1 ASN 14 0.086 10.215 10.293 90 HD21 ASN 14 HD21 ASN 14 -1.292 11.966 10.602 91 HD22 ASN 14 HD22 ASN 14 -2.908 11.979 9.993 92 H GLN 15 HN GLN 15 1.777 8.526 8.439 93 HA GLN 15 HA GLN 15 4.511 9.501 8.644 94 HB2 GLN 15 HB2 GLN 15 3.327 9.128 10.991 95 HB3 GLN 15 HB1 GLN 15 3.722 7.447 10.665 96 HG2 GLN 15 HG2 GLN 15 5.518 8.189 11.927 97 HG3 GLN 15 HG1 GLN 15 6.116 8.298 10.273 98 HE21 GLN 15 HE21 GLN 15 6.410 10.324 9.337 99 HE22 GLN 15 HE22 GLN 15 6.474 11.771 10.279 100 H LEU 16 HN LEU 16 2.296 6.819 8.387 101 HA LEU 16 HA LEU 16 4.385 5.128 7.218 102 HB2 LEU 16 HB2 LEU 16 2.608 3.299 7.410 103 HB3 LEU 16 HB1 LEU 16 3.293 3.891 8.906 104 HG LEU 16 HG LEU 16 0.679 4.981 7.900 105 HD11 LEU 16 HD11 LEU 16 1.005 2.498 9.577 106 HD12 LEU 16 HD12 LEU 16 0.477 2.533 7.893 107 HD13 LEU 16 HD13 LEU 16 -0.514 3.280 9.143 108 HD21 LEU 16 HD21 LEU 16 1.789 6.098 9.802 109 HD22 LEU 16 HD22 LEU 16 1.771 4.574 10.687 110 HD23 LEU 16 HD23 LEU 16 0.253 5.365 10.264 111 H CYS 17 HN CYS 17 2.791 3.434 5.627 112 HA CYS 17 HA CYS 17 1.424 5.114 3.705 113 HB2 CYS 17 HB2 CYS 17 2.939 4.129 1.838 114 HB3 CYS 17 HB1 CYS 17 3.541 5.491 2.777 115 H CYS 18 HN CYS 18 0.102 4.125 2.320 116 HA CYS 18 HA CYS 18 -0.352 1.252 2.751 117 HB2 CYS 18 HB2 CYS 18 -2.657 1.728 1.969 118 HB3 CYS 18 HB1 CYS 18 -2.218 2.716 3.359 119 H SER 19 HN SER 19 -1.189 0.001 1.024 120 HA SER 19 HA SER 19 -0.318 0.817 -1.669 121 HB2 SER 19 HB2 SER 19 0.172 -1.649 -2.065 122 HB3 SER 19 HB1 SER 19 1.255 -0.866 -0.914 123 HG SER 19 HG SER 19 0.442 -2.928 -0.213 124 H GLN 20 HN GLN 20 -1.420 -0.887 -3.328 125 HA GLN 20 HA GLN 20 -4.265 -0.541 -2.972 126 HB2 GLN 20 HB2 GLN 20 -2.809 -0.339 -5.159 127 HB3 GLN 20 HB1 GLN 20 -3.077 -2.073 -5.262 128 HG2 GLN 20 HG2 GLN 20 -5.493 -1.700 -5.254 129 HG3 GLN 20 HG1 GLN 20 -5.222 0.039 -5.152 130 HE21 GLN 20 HE21 GLN 20 -4.434 1.142 -6.948 131 HE22 GLN 20 HE22 GLN 20 -4.470 0.458 -8.534 132 H TYR 21 HN TYR 21 -4.241 -1.930 -1.025 133 HA TYR 21 HA TYR 21 -5.049 -4.635 -1.673 134 HB2 TYR 21 HB2 TYR 21 -2.763 -5.133 -1.274 135 HB3 TYR 21 HB1 TYR 21 -2.665 -4.000 0.064 136 HD1 TYR 21 HD1 TYR 21 -3.884 -7.326 -0.957 137 HD2 TYR 21 HD2 TYR 21 -3.206 -4.672 2.291 138 HE1 TYR 21 HE1 TYR 21 -4.245 -9.181 0.617 139 HE2 TYR 21 HE2 TYR 21 -3.563 -6.520 3.880 140 HH TYR 21 HH TYR 21 -3.652 -9.775 2.926 141 H GLY 22 HN GLY 22 -4.289 -2.545 1.061 142 HA2 GLY 22 HA2 GLY 22 -6.482 -1.743 2.209 143 HA3 GLY 22 HA1 GLY 22 -6.700 -3.464 2.466 144 H PHE 23 HN PHE 23 -3.463 -2.258 2.518 145 HA PHE 23 HA PHE 23 -3.478 -2.173 5.443 146 HB2 PHE 23 HB2 PHE 23 -2.688 -4.418 4.363 147 HB3 PHE 23 HB1 PHE 23 -1.214 -3.530 4.032 148 HD1 PHE 23 HD1 PHE 23 -0.651 -2.021 6.433 149 HD2 PHE 23 HD2 PHE 23 -2.358 -5.908 6.051 150 HE1 PHE 23 HE1 PHE 23 0.140 -2.592 8.690 151 HE2 PHE 23 HE2 PHE 23 -1.571 -6.476 8.308 152 HZ PHE 23 HZ PHE 23 -0.319 -4.819 9.630 153 H CYS 24 HN CYS 24 -2.458 -0.501 6.259 154 HA CYS 24 HA CYS 24 -0.450 0.951 4.687 155 HB2 CYS 24 HB2 CYS 24 -2.587 2.107 5.506 156 HB3 CYS 24 HB1 CYS 24 -1.904 1.948 7.120 157 H GLY 25 HN GLY 25 1.553 1.452 5.622 158 HA2 GLY 25 HA2 GLY 25 2.337 1.236 8.259 159 HA3 GLY 25 HA1 GLY 25 2.501 -0.380 7.606 160 H SER 26 HN SER 26 4.623 -0.703 7.401 161 HA SER 26 HA SER 26 6.157 1.114 5.681 162 HB2 SER 26 HB2 SER 26 6.543 1.587 8.165 163 HB3 SER 26 HB1 SER 26 7.340 0.016 8.222 164 HG SER 26 HG SER 26 8.650 0.883 6.412 165 H THR 27 HN THR 27 5.569 -2.032 6.950 166 HA THR 27 HA THR 27 7.818 -3.479 6.147 167 HB THR 27 HB THR 27 5.019 -4.591 6.096 168 HG1 THR 27 HG1 THR 27 4.855 -3.921 8.087 169 HG21 THR 27 HG21 THR 27 6.807 -6.156 5.480 170 HG22 THR 27 HG22 THR 27 6.080 -6.603 7.023 171 HG23 THR 27 HG23 THR 27 7.646 -5.794 6.989 172 H SER 28 HN SER 28 7.920 -5.120 4.383 173 HA SER 28 HA SER 28 7.451 -3.870 1.836 174 HB2 SER 28 HB2 SER 28 8.716 -6.507 2.585 175 HB3 SER 28 HB1 SER 28 8.662 -5.860 0.946 176 HG SER 28 HG SER 28 10.449 -4.906 1.512 177 H GLU 29 HN GLU 29 5.056 -3.999 2.375 178 HA GLU 29 HA GLU 29 3.848 -6.016 0.703 179 HB2 GLU 29 HB2 GLU 29 3.198 -5.833 3.651 180 HB3 GLU 29 HB1 GLU 29 2.042 -6.463 2.489 181 HG2 GLU 29 HG2 GLU 29 4.798 -7.618 2.757 182 HG3 GLU 29 HG1 GLU 29 3.465 -8.134 3.787 183 H TYR 30 HN TYR 30 3.513 -3.340 2.888 184 HA TYR 30 HA TYR 30 1.202 -2.261 1.480 185 HB2 TYR 30 HB2 TYR 30 2.177 -0.589 3.630 186 HB3 TYR 30 HB1 TYR 30 0.611 -1.366 3.458 187 HD1 TYR 30 HD1 TYR 30 3.274 -1.055 5.586 188 HD2 TYR 30 HD2 TYR 30 0.871 -4.125 3.882 189 HE1 TYR 30 HE1 TYR 30 3.813 -2.524 7.476 190 HE2 TYR 30 HE2 TYR 30 1.404 -5.601 5.771 191 HH TYR 30 HH TYR 30 2.863 -4.484 8.620 192 H CYS 31 HN CYS 31 4.594 -1.802 1.869 193 HA CYS 31 HA CYS 31 4.548 0.345 -0.092 194 HB2 CYS 31 HB2 CYS 31 6.371 0.620 2.289 195 HB3 CYS 31 HB1 CYS 31 5.903 1.849 1.119 196 H SER 32 HN SER 32 5.346 -1.014 -1.659 197 HA SER 32 HA SER 32 8.135 -1.888 -1.259 198 HB2 SER 32 HB2 SER 32 5.949 -3.546 -2.528 199 HB3 SER 32 HB1 SER 32 7.658 -3.979 -2.496 200 HG SER 32 HG SER 32 7.014 -4.940 -0.712 201 H ARG 33 HN ARG 33 5.796 -0.481 -3.342 202 HA ARG 33 HA ARG 33 5.949 0.666 -5.298 203 HB2 ARG 33 HB2 ARG 33 8.290 1.281 -4.450 204 HB3 ARG 33 HB1 ARG 33 8.888 0.009 -5.498 205 HG2 ARG 33 HG2 ARG 33 9.185 1.910 -6.781 206 HG3 ARG 33 HG1 ARG 33 7.652 1.282 -7.381 207 HD2 ARG 33 HD2 ARG 33 7.751 3.345 -5.199 208 HD3 ARG 33 HD1 ARG 33 7.840 3.803 -6.897 209 HE ARG 33 HE ARG 33 5.616 2.090 -6.287 210 HH11 ARG 33 HH11 ARG 33 6.681 5.435 -6.372 211 HH12 ARG 33 HH12 ARG 33 5.074 6.064 -6.516 212 HH21 ARG 33 HH21 ARG 33 3.520 2.935 -6.486 213 HH22 ARG 33 HH22 ARG 33 3.287 4.649 -6.580 214 H ALA 34 HN ALA 34 7.738 -2.355 -5.301 215 HA ALA 34 HA ALA 34 6.988 -2.937 -8.053 216 HB1 ALA 34 HB1 ALA 34 9.256 -3.482 -7.301 217 HB2 ALA 34 HB2 ALA 34 8.380 -4.925 -7.815 218 HB3 ALA 34 HB3 ALA 34 8.588 -4.585 -6.096 219 H ASN 35 HN ASN 35 6.058 -3.715 -4.832 220 HA ASN 35 HA ASN 35 3.892 -5.436 -5.826 221 HB2 ASN 35 HB2 ASN 35 5.664 -5.937 -3.430 222 HB3 ASN 35 HB1 ASN 35 4.119 -6.749 -3.666 223 HD21 ASN 35 HD21 ASN 35 3.903 -8.257 -5.319 224 HD22 ASN 35 HD22 ASN 35 5.272 -8.960 -6.103 225 H GLY 36 HN GLY 36 4.958 -2.860 -3.859 226 HA2 GLY 36 HA2 GLY 36 2.211 -2.329 -2.994 227 HA3 GLY 36 HA1 GLY 36 3.457 -2.407 -1.758 228 H CYS 37 HN CYS 37 3.362 -0.298 -1.108 229 HA CYS 37 HA CYS 37 3.612 1.961 -1.072 230 HB2 CYS 37 HB2 CYS 37 5.942 1.475 -1.336 231 HB3 CYS 37 HB1 CYS 37 5.759 1.207 -3.060 232 H GLN 38 HN GLN 38 1.713 2.740 -1.715 233 HA GLN 38 HA GLN 38 1.521 3.609 -4.526 234 HB2 GLN 38 HB2 GLN 38 -0.790 2.772 -2.759 235 HB3 GLN 38 HB1 GLN 38 -0.896 3.288 -4.434 236 HG2 GLN 38 HG2 GLN 38 0.803 0.937 -3.731 237 HG3 GLN 38 HG1 GLN 38 -0.947 0.748 -3.827 238 HE21 GLN 38 HE21 GLN 38 1.971 1.397 -5.590 239 HE22 GLN 38 HE22 GLN 38 1.309 1.187 -7.173 240 H SER 39 HN SER 39 0.677 4.238 -1.148 241 HA SER 39 HA SER 39 -0.171 6.951 -1.674 242 HB2 SER 39 HB2 SER 39 -0.987 5.314 0.170 243 HB3 SER 39 HB1 SER 39 0.465 5.820 1.037 244 HG SER 39 HG SER 39 -1.841 7.253 0.431 245 H ASN 40 HN ASN 40 1.059 7.983 0.823 246 HA ASN 40 HA ASN 40 3.500 9.003 -0.290 247 HB2 ASN 40 HB2 ASN 40 1.724 10.157 1.263 248 HB3 ASN 40 HB1 ASN 40 2.667 9.432 2.561 249 HD21 ASN 40 HD21 ASN 40 4.771 10.137 2.928 250 HD22 ASN 40 HD22 ASN 40 5.369 11.621 2.278 251 H CYS 41 HN CYS 41 4.623 6.986 -0.497 252 HA CYS 41 HA CYS 41 5.655 5.875 2.004 253 HB2 CYS 41 HB2 CYS 41 6.513 4.091 0.154 254 HB3 CYS 41 HB1 CYS 41 4.968 3.961 0.980 255 H ARG 42 HN ARG 42 6.817 6.435 -1.283 256 HA ARG 42 HA ARG 42 9.523 6.885 -0.295 257 HB2 ARG 42 HB2 ARG 42 8.334 6.188 -2.927 258 HB3 ARG 42 HB1 ARG 42 9.821 7.119 -2.949 259 HG2 ARG 42 HG2 ARG 42 10.577 4.939 -3.087 260 HG3 ARG 42 HG1 ARG 42 10.732 5.288 -1.368 261 HD2 ARG 42 HD2 ARG 42 8.299 3.941 -2.522 262 HD3 ARG 42 HD1 ARG 42 9.727 3.036 -2.023 263 HE ARG 42 HE ARG 42 8.458 4.820 -0.082 264 HH11 ARG 42 HH11 ARG 42 9.131 1.531 -1.115 265 HH12 ARG 42 HH12 ARG 42 8.678 0.838 0.406 266 HH21 ARG 42 HH21 ARG 42 7.869 3.891 1.901 267 HH22 ARG 42 HH22 ARG 42 7.963 2.174 2.111 268 H GLY 43 HN GLY 43 6.861 8.607 -1.691 269 HA2 GLY 43 HA2 GLY 43 8.477 11.039 -2.025 270 HA3 GLY 43 HA1 GLY 43 6.866 10.782 -2.679 Start of MODEL 9 1 H1 GLN 1 HT1 GLN 1 -3.311 -2.137 10.271 2 H2 GLN 1 HT2 GLN 1 -4.117 -0.927 11.133 3 H3 GLN 1 HT3 GLN 1 -2.597 -0.616 10.462 4 HA GLN 1 HA GLN 1 -3.467 -0.849 8.245 5 HB2 GLN 1 HB2 GLN 1 -6.014 -1.442 9.744 6 HB3 GLN 1 HB1 GLN 1 -6.026 -0.896 8.073 7 HG2 GLN 1 HG2 GLN 1 -4.741 -2.835 7.399 8 HG3 GLN 1 HG1 GLN 1 -4.630 -3.368 9.075 9 HE21 GLN 1 HE21 GLN 1 -6.702 -3.005 6.310 10 HE22 GLN 1 HE22 GLN 1 -7.983 -4.012 6.882 11 H ASN 2 HN ASN 2 -4.063 0.996 7.151 12 HA ASN 2 HA ASN 2 -5.136 3.245 8.688 13 HB2 ASN 2 HB2 ASN 2 -2.404 3.045 7.642 14 HB3 ASN 2 HB1 ASN 2 -3.245 4.478 7.066 15 HD21 ASN 2 HD21 ASN 2 -3.791 6.085 8.496 16 HD22 ASN 2 HD22 ASN 2 -3.207 6.139 10.121 17 H CYS 3 HN CYS 3 -4.729 1.577 5.695 18 HA CYS 3 HA CYS 3 -6.925 2.869 4.446 19 HB2 CYS 3 HB2 CYS 3 -5.657 4.734 3.934 20 HB3 CYS 3 HB1 CYS 3 -4.164 3.824 3.863 21 H GLY 4 HN GLY 4 -6.925 2.281 1.972 22 HA2 GLY 4 HA2 GLY 4 -5.988 0.665 0.344 23 HA3 GLY 4 HA1 GLY 4 -5.923 -0.479 1.670 24 H ARG 5 HN ARG 5 -7.175 -1.766 0.034 25 HA ARG 5 HA ARG 5 -9.931 -1.007 -0.373 26 HB2 ARG 5 HB2 ARG 5 -8.388 -2.297 -2.017 27 HB3 ARG 5 HB1 ARG 5 -8.814 -3.710 -1.057 28 HG2 ARG 5 HG2 ARG 5 -11.161 -3.361 -1.528 29 HG3 ARG 5 HG1 ARG 5 -10.783 -1.887 -2.421 30 HD2 ARG 5 HD2 ARG 5 -9.492 -3.201 -4.038 31 HD3 ARG 5 HD1 ARG 5 -9.867 -4.673 -3.142 32 HE ARG 5 HE ARG 5 -12.282 -3.451 -3.792 33 HH11 ARG 5 HH11 ARG 5 -9.614 -4.964 -5.503 34 HH12 ARG 5 HH12 ARG 5 -10.604 -5.474 -6.829 35 HH21 ARG 5 HH21 ARG 5 -13.558 -4.130 -5.538 36 HH22 ARG 5 HH22 ARG 5 -12.835 -5.001 -6.848 37 H GLN 6 HN GLN 6 -9.963 -0.904 2.068 38 HA GLN 6 HA GLN 6 -11.557 -3.068 3.080 39 HB2 GLN 6 HB2 GLN 6 -8.812 -2.555 4.171 40 HB3 GLN 6 HB1 GLN 6 -10.091 -3.060 5.266 41 HG2 GLN 6 HG2 GLN 6 -10.427 -5.087 3.995 42 HG3 GLN 6 HG1 GLN 6 -9.228 -4.572 2.810 43 HE21 GLN 6 HE21 GLN 6 -9.757 -5.781 6.023 44 HE22 GLN 6 HE22 GLN 6 -8.119 -6.221 6.348 45 H ALA 7 HN ALA 7 -9.940 -0.028 3.570 46 HA ALA 7 HA ALA 7 -11.907 0.848 5.561 47 HB1 ALA 7 HB1 ALA 7 -10.401 2.735 5.940 48 HB2 ALA 7 HB2 ALA 7 -9.364 2.184 4.624 49 HB3 ALA 7 HB3 ALA 7 -9.535 1.204 6.081 50 H GLY 8 HN GLY 8 -11.315 0.991 2.243 51 HA2 GLY 8 HA2 GLY 8 -12.858 1.928 0.698 52 HA3 GLY 8 HA1 GLY 8 -13.298 3.129 1.904 53 H ASN 9 HN ASN 9 -9.987 2.277 1.110 54 HA ASN 9 HA ASN 9 -8.198 3.494 0.455 55 HB2 ASN 9 HB2 ASN 9 -10.216 4.402 -1.604 56 HB3 ASN 9 HB1 ASN 9 -8.507 4.813 -1.689 57 HD21 ASN 9 HD21 ASN 9 -7.001 3.198 -2.117 58 HD22 ASN 9 HD22 ASN 9 -7.461 1.667 -2.774 59 H ARG 10 HN ARG 10 -8.065 4.671 2.407 60 HA ARG 10 HA ARG 10 -9.096 7.410 2.410 61 HB2 ARG 10 HB2 ARG 10 -7.850 5.666 4.525 62 HB3 ARG 10 HB1 ARG 10 -8.084 7.390 4.772 63 HG2 ARG 10 HG2 ARG 10 -10.496 7.101 4.405 64 HG3 ARG 10 HG1 ARG 10 -10.243 5.367 4.205 65 HD2 ARG 10 HD2 ARG 10 -9.419 6.860 6.684 66 HD3 ARG 10 HD1 ARG 10 -11.020 6.148 6.491 67 HE ARG 10 HE ARG 10 -9.053 4.203 5.952 68 HH11 ARG 10 HH11 ARG 10 -10.404 5.955 8.680 69 HH12 ARG 10 HH12 ARG 10 -10.033 4.702 9.816 70 HH21 ARG 10 HH21 ARG 10 -9.001 2.789 9.122 71 HH22 ARG 10 HH22 ARG 10 -8.579 2.574 7.456 72 H ALA 11 HN ALA 11 -6.278 5.774 1.551 73 HA ALA 11 HA ALA 11 -4.191 6.362 0.909 74 HB1 ALA 11 HB1 ALA 11 -3.726 8.628 0.194 75 HB2 ALA 11 HB2 ALA 11 -5.171 9.210 1.022 76 HB3 ALA 11 HB3 ALA 11 -5.323 8.126 -0.361 77 H CYS 12 HN CYS 12 -2.265 6.485 1.918 78 HA CYS 12 HA CYS 12 -2.273 7.615 4.640 79 HB2 CYS 12 HB2 CYS 12 -0.503 5.491 3.418 80 HB3 CYS 12 HB1 CYS 12 -0.346 6.107 5.060 81 H ALA 13 HN ALA 13 -1.226 9.431 4.979 82 HA ALA 13 HA ALA 13 1.225 10.036 3.491 83 HB1 ALA 13 HB1 ALA 13 -0.950 12.088 3.835 84 HB2 ALA 13 HB2 ALA 13 -0.735 11.130 2.372 85 HB3 ALA 13 HB3 ALA 13 0.537 12.233 2.896 86 H ASN 14 HN ASN 14 0.394 9.294 6.342 87 HA ASN 14 HA ASN 14 1.236 11.649 7.825 88 HB2 ASN 14 HB2 ASN 14 0.146 8.986 8.714 89 HB3 ASN 14 HB1 ASN 14 0.741 10.197 9.845 90 HD21 ASN 14 HD21 ASN 14 -1.748 9.373 7.569 91 HD22 ASN 14 HD22 ASN 14 -2.867 10.602 8.038 92 H GLN 15 HN GLN 15 2.102 8.228 8.142 93 HA GLN 15 HA GLN 15 4.942 8.900 8.096 94 HB2 GLN 15 HB2 GLN 15 3.550 7.596 10.427 95 HB3 GLN 15 HB1 GLN 15 5.274 7.401 10.147 96 HG2 GLN 15 HG2 GLN 15 5.577 9.819 10.314 97 HG3 GLN 15 HG1 GLN 15 3.846 10.015 10.591 98 HE21 GLN 15 HE21 GLN 15 2.962 9.371 12.555 99 HE22 GLN 15 HE22 GLN 15 3.938 9.079 13.950 100 H LEU 16 HN LEU 16 2.419 6.518 7.983 101 HA LEU 16 HA LEU 16 4.289 4.485 7.015 102 HB2 LEU 16 HB2 LEU 16 2.268 2.932 7.226 103 HB3 LEU 16 HB1 LEU 16 2.978 3.518 8.711 104 HG LEU 16 HG LEU 16 0.538 4.823 7.524 105 HD11 LEU 16 HD11 LEU 16 -0.783 3.392 9.062 106 HD12 LEU 16 HD12 LEU 16 0.664 2.432 9.352 107 HD13 LEU 16 HD13 LEU 16 -0.039 2.500 7.734 108 HD21 LEU 16 HD21 LEU 16 0.109 5.419 9.883 109 HD22 LEU 16 HD22 LEU 16 1.646 6.063 9.310 110 HD23 LEU 16 HD23 LEU 16 1.620 4.635 10.342 111 H CYS 17 HN CYS 17 2.523 2.925 5.423 112 HA CYS 17 HA CYS 17 1.707 4.744 3.301 113 HB2 CYS 17 HB2 CYS 17 3.291 2.440 2.352 114 HB3 CYS 17 HB1 CYS 17 3.180 4.066 1.704 115 H CYS 18 HN CYS 18 0.159 4.186 2.043 116 HA CYS 18 HA CYS 18 -1.248 1.679 2.556 117 HB2 CYS 18 HB2 CYS 18 -2.475 3.767 2.782 118 HB3 CYS 18 HB1 CYS 18 -2.069 4.207 1.139 119 H SER 19 HN SER 19 -1.975 0.334 0.965 120 HA SER 19 HA SER 19 -1.078 0.756 -1.785 121 HB2 SER 19 HB2 SER 19 -0.579 -1.737 -1.912 122 HB3 SER 19 HB1 SER 19 0.559 -0.791 -0.954 123 HG SER 19 HG SER 19 0.081 -2.073 0.627 124 H GLN 20 HN GLN 20 -2.273 -0.565 -3.384 125 HA GLN 20 HA GLN 20 -5.084 -0.550 -2.821 126 HB2 GLN 20 HB2 GLN 20 -3.477 -1.336 -5.251 127 HB3 GLN 20 HB1 GLN 20 -5.225 -1.507 -5.194 128 HG2 GLN 20 HG2 GLN 20 -5.445 0.898 -4.797 129 HG3 GLN 20 HG1 GLN 20 -3.690 1.064 -4.867 130 HE21 GLN 20 HE21 GLN 20 -6.594 0.481 -6.682 131 HE22 GLN 20 HE22 GLN 20 -5.908 0.720 -8.248 132 H TYR 21 HN TYR 21 -5.069 -2.045 -1.063 133 HA TYR 21 HA TYR 21 -5.719 -4.739 -1.834 134 HB2 TYR 21 HB2 TYR 21 -3.322 -5.051 -1.619 135 HB3 TYR 21 HB1 TYR 21 -3.295 -4.175 -0.099 136 HD1 TYR 21 HD1 TYR 21 -4.043 -5.264 1.979 137 HD2 TYR 21 HD2 TYR 21 -3.980 -7.366 -1.714 138 HE1 TYR 21 HE1 TYR 21 -4.229 -7.396 3.194 139 HE2 TYR 21 HE2 TYR 21 -4.173 -9.504 -0.514 140 HH TYR 21 HH TYR 21 -3.698 -10.405 1.724 141 H GLY 22 HN GLY 22 -4.884 -2.671 0.870 142 HA2 GLY 22 HA2 GLY 22 -6.963 -2.056 2.263 143 HA3 GLY 22 HA1 GLY 22 -7.069 -3.794 2.484 144 H PHE 23 HN PHE 23 -3.871 -2.799 2.189 145 HA PHE 23 HA PHE 23 -3.548 -2.741 5.101 146 HB2 PHE 23 HB2 PHE 23 -2.726 -4.812 3.647 147 HB3 PHE 23 HB1 PHE 23 -1.326 -3.778 3.418 148 HD1 PHE 23 HD1 PHE 23 -1.093 -2.508 6.109 149 HD2 PHE 23 HD2 PHE 23 -1.974 -6.525 4.991 150 HE1 PHE 23 HE1 PHE 23 -0.209 -3.301 8.263 151 HE2 PHE 23 HE2 PHE 23 -1.094 -7.317 7.145 152 HZ PHE 23 HZ PHE 23 -0.210 -5.706 8.784 153 H CYS 24 HN CYS 24 -2.587 -1.030 5.904 154 HA CYS 24 HA CYS 24 -0.600 0.426 4.309 155 HB2 CYS 24 HB2 CYS 24 -2.609 1.789 4.400 156 HB3 CYS 24 HB1 CYS 24 -2.717 1.574 6.140 157 H GLY 25 HN GLY 25 1.321 0.731 5.305 158 HA2 GLY 25 HA2 GLY 25 1.712 0.926 8.096 159 HA3 GLY 25 HA1 GLY 25 2.025 -0.721 7.582 160 H SER 26 HN SER 26 4.206 -0.756 7.939 161 HA SER 26 HA SER 26 5.828 1.065 6.280 162 HB2 SER 26 HB2 SER 26 6.399 0.029 9.050 163 HB3 SER 26 HB1 SER 26 7.590 0.851 8.046 164 HG SER 26 HG SER 26 6.133 2.653 7.997 165 H THR 27 HN THR 27 5.152 -2.169 7.172 166 HA THR 27 HA THR 27 7.590 -3.436 6.608 167 HB THR 27 HB THR 27 4.945 -4.759 6.121 168 HG1 THR 27 HG1 THR 27 4.419 -4.189 8.089 169 HG21 THR 27 HG21 THR 27 7.520 -5.745 7.366 170 HG22 THR 27 HG22 THR 27 6.960 -6.107 5.734 171 HG23 THR 27 HG23 THR 27 6.060 -6.706 7.128 172 H SER 28 HN SER 28 8.087 -4.870 4.800 173 HA SER 28 HA SER 28 7.784 -3.499 2.291 174 HB2 SER 28 HB2 SER 28 9.260 -6.026 3.025 175 HB3 SER 28 HB1 SER 28 9.335 -5.243 1.447 176 HG SER 28 HG SER 28 10.398 -3.549 2.324 177 H GLU 29 HN GLU 29 5.410 -3.895 2.439 178 HA GLU 29 HA GLU 29 4.665 -5.971 0.574 179 HB2 GLU 29 HB2 GLU 29 3.545 -5.896 3.385 180 HB3 GLU 29 HB1 GLU 29 2.658 -6.615 2.052 181 HG2 GLU 29 HG2 GLU 29 5.434 -7.506 2.753 182 HG3 GLU 29 HG1 GLU 29 4.014 -8.159 3.568 183 H TYR 30 HN TYR 30 3.755 -3.403 2.728 184 HA TYR 30 HA TYR 30 1.723 -2.428 0.881 185 HB2 TYR 30 HB2 TYR 30 1.838 -0.799 3.205 186 HB3 TYR 30 HB1 TYR 30 0.562 -1.912 2.733 187 HD1 TYR 30 HD1 TYR 30 3.029 -1.173 5.177 188 HD2 TYR 30 HD2 TYR 30 0.943 -4.429 3.400 189 HE1 TYR 30 HE1 TYR 30 3.521 -2.563 7.140 190 HE2 TYR 30 HE2 TYR 30 1.434 -5.825 5.359 191 HH TYR 30 HH TYR 30 2.622 -4.552 8.268 192 H CYS 31 HN CYS 31 4.799 -1.650 2.276 193 HA CYS 31 HA CYS 31 4.885 0.803 0.663 194 HB2 CYS 31 HB2 CYS 31 4.781 1.064 3.243 195 HB3 CYS 31 HB1 CYS 31 6.455 0.528 3.207 196 H SER 32 HN SER 32 5.837 -0.331 -1.054 197 HA SER 32 HA SER 32 8.715 -0.837 -0.631 198 HB2 SER 32 HB2 SER 32 7.480 -2.999 -0.824 199 HB3 SER 32 HB1 SER 32 6.947 -2.509 -2.431 200 HG SER 32 HG SER 32 9.686 -2.518 -1.788 201 H ARG 33 HN ARG 33 10.070 -0.273 -2.368 202 HA ARG 33 HA ARG 33 8.874 1.701 -4.141 203 HB2 ARG 33 HB2 ARG 33 11.247 2.326 -4.658 204 HB3 ARG 33 HB1 ARG 33 10.783 2.506 -2.976 205 HG2 ARG 33 HG2 ARG 33 11.947 0.414 -2.433 206 HG3 ARG 33 HG1 ARG 33 12.416 0.243 -4.125 207 HD2 ARG 33 HD2 ARG 33 13.652 2.351 -3.993 208 HD3 ARG 33 HD1 ARG 33 13.179 2.523 -2.303 209 HE ARG 33 HE ARG 33 14.464 0.048 -2.650 210 HH11 ARG 33 HH11 ARG 33 15.257 3.469 -2.634 211 HH12 ARG 33 HH12 ARG 33 16.891 3.204 -2.119 212 HH21 ARG 33 HH21 ARG 33 16.604 -0.274 -1.979 213 HH22 ARG 33 HH22 ARG 33 17.651 1.087 -1.750 214 H ALA 34 HN ALA 34 9.538 -1.538 -4.376 215 HA ALA 34 HA ALA 34 9.791 -1.368 -7.307 216 HB1 ALA 34 HB1 ALA 34 11.066 -3.457 -5.548 217 HB2 ALA 34 HB2 ALA 34 11.906 -2.114 -6.323 218 HB3 ALA 34 HB3 ALA 34 11.161 -3.374 -7.306 219 H ASN 35 HN ASN 35 8.054 -2.587 -4.639 220 HA ASN 35 HA ASN 35 6.382 -4.215 -6.428 221 HB2 ASN 35 HB2 ASN 35 7.499 -5.051 -3.755 222 HB3 ASN 35 HB1 ASN 35 6.096 -5.833 -4.475 223 HD21 ASN 35 HD21 ASN 35 9.520 -5.312 -4.697 224 HD22 ASN 35 HD22 ASN 35 9.844 -6.561 -5.845 225 H GLY 36 HN GLY 36 6.573 -1.820 -4.037 226 HA2 GLY 36 HA2 GLY 36 3.672 -2.049 -3.524 227 HA3 GLY 36 HA1 GLY 36 4.806 -1.563 -2.277 228 H CYS 37 HN CYS 37 4.571 0.467 -1.818 229 HA CYS 37 HA CYS 37 3.952 2.653 -1.909 230 HB2 CYS 37 HB2 CYS 37 6.095 2.333 -3.955 231 HB3 CYS 37 HB1 CYS 37 5.316 3.901 -3.770 232 H GLN 38 HN GLN 38 1.852 2.853 -2.339 233 HA GLN 38 HA GLN 38 1.122 3.345 -5.153 234 HB2 GLN 38 HB2 GLN 38 -0.715 2.273 -3.007 235 HB3 GLN 38 HB1 GLN 38 -1.083 2.453 -4.713 236 HG2 GLN 38 HG2 GLN 38 1.220 0.724 -3.930 237 HG3 GLN 38 HG1 GLN 38 -0.414 0.102 -3.714 238 HE21 GLN 38 HE21 GLN 38 -1.709 -0.261 -5.528 239 HE22 GLN 38 HE22 GLN 38 -1.042 -0.375 -7.118 240 H SER 39 HN SER 39 0.273 4.070 -1.756 241 HA SER 39 HA SER 39 -0.760 6.687 -2.534 242 HB2 SER 39 HB2 SER 39 -1.864 5.159 -0.831 243 HB3 SER 39 HB1 SER 39 -0.507 5.514 0.239 244 HG SER 39 HG SER 39 -1.395 7.358 0.689 245 H ASN 40 HN ASN 40 0.015 8.130 -0.182 246 HA ASN 40 HA ASN 40 2.613 9.018 -0.938 247 HB2 ASN 40 HB2 ASN 40 0.722 9.706 1.289 248 HB3 ASN 40 HB1 ASN 40 2.348 10.381 1.256 249 HD21 ASN 40 HD21 ASN 40 2.910 11.824 -0.383 250 HD22 ASN 40 HD22 ASN 40 1.719 12.624 -1.345 251 H CYS 41 HN CYS 41 3.933 7.197 -0.758 252 HA CYS 41 HA CYS 41 4.375 6.041 1.890 253 HB2 CYS 41 HB2 CYS 41 5.577 4.284 0.771 254 HB3 CYS 41 HB1 CYS 41 4.128 4.596 -0.178 255 H ARG 42 HN ARG 42 6.404 5.872 2.857 256 HA ARG 42 HA ARG 42 8.323 6.707 3.734 257 HB2 ARG 42 HB2 ARG 42 9.054 6.794 0.799 258 HB3 ARG 42 HB1 ARG 42 10.212 6.941 2.113 259 HG2 ARG 42 HG2 ARG 42 9.939 4.718 2.769 260 HG3 ARG 42 HG1 ARG 42 8.400 4.559 1.923 261 HD2 ARG 42 HD2 ARG 42 11.077 4.904 0.573 262 HD3 ARG 42 HD1 ARG 42 10.272 3.358 0.821 263 HE ARG 42 HE ARG 42 8.399 4.735 -0.507 264 HH11 ARG 42 HH11 ARG 42 11.819 4.313 -1.191 265 HH12 ARG 42 HH12 ARG 42 11.611 4.460 -2.905 266 HH21 ARG 42 HH21 ARG 42 8.152 4.926 -2.753 267 HH22 ARG 42 HH22 ARG 42 9.537 4.807 -3.787 268 H GLY 43 HN GLY 43 6.262 8.717 3.224 269 HA2 GLY 43 HA2 GLY 43 6.394 10.973 4.008 270 HA3 GLY 43 HA1 GLY 43 7.994 11.094 3.295 Start of MODEL 10 1 H1 GLN 1 HT1 GLN 1 -4.527 -0.834 11.081 2 H2 GLN 1 HT2 GLN 1 -2.964 -0.494 10.533 3 H3 GLN 1 HT3 GLN 1 -3.616 -2.041 10.322 4 HA GLN 1 HA GLN 1 -3.636 -0.805 8.256 5 HB2 GLN 1 HB2 GLN 1 -6.302 -1.408 9.537 6 HB3 GLN 1 HB1 GLN 1 -6.151 -0.952 7.847 7 HG2 GLN 1 HG2 GLN 1 -4.748 -2.893 7.430 8 HG3 GLN 1 HG1 GLN 1 -4.845 -3.341 9.132 9 HE21 GLN 1 HE21 GLN 1 -6.768 -4.171 9.949 10 HE22 GLN 1 HE22 GLN 1 -8.018 -4.775 8.921 11 H ASN 2 HN ASN 2 -3.936 1.053 7.163 12 HA ASN 2 HA ASN 2 -5.232 3.298 8.557 13 HB2 ASN 2 HB2 ASN 2 -2.472 3.086 7.609 14 HB3 ASN 2 HB1 ASN 2 -3.301 4.497 6.962 15 HD21 ASN 2 HD21 ASN 2 -3.913 6.138 8.328 16 HD22 ASN 2 HD22 ASN 2 -3.379 6.245 9.968 17 H CYS 3 HN CYS 3 -4.747 1.554 5.625 18 HA CYS 3 HA CYS 3 -6.888 2.837 4.272 19 HB2 CYS 3 HB2 CYS 3 -5.571 4.665 3.745 20 HB3 CYS 3 HB1 CYS 3 -4.089 3.729 3.755 21 H GLY 4 HN GLY 4 -6.781 2.177 1.796 22 HA2 GLY 4 HA2 GLY 4 -5.523 0.335 0.471 23 HA3 GLY 4 HA1 GLY 4 -6.159 -0.688 1.740 24 H ARG 5 HN ARG 5 -8.061 -1.622 1.396 25 HA ARG 5 HA ARG 5 -9.927 -0.419 -0.541 26 HB2 ARG 5 HB2 ARG 5 -9.399 -3.388 -0.336 27 HB3 ARG 5 HB1 ARG 5 -10.418 -2.568 -1.511 28 HG2 ARG 5 HG2 ARG 5 -8.334 -1.415 -2.332 29 HG3 ARG 5 HG1 ARG 5 -7.423 -2.527 -1.311 30 HD2 ARG 5 HD2 ARG 5 -9.386 -3.445 -3.406 31 HD3 ARG 5 HD1 ARG 5 -7.672 -3.200 -3.737 32 HE ARG 5 HE ARG 5 -7.906 -4.882 -1.513 33 HH11 ARG 5 HH11 ARG 5 -8.570 -4.990 -4.959 34 HH12 ARG 5 HH12 ARG 5 -8.348 -6.704 -5.065 35 HH21 ARG 5 HH21 ARG 5 -7.621 -7.125 -1.675 36 HH22 ARG 5 HH22 ARG 5 -7.812 -7.911 -3.206 37 H GLN 6 HN GLN 6 -9.355 -1.935 2.431 38 HA GLN 6 HA GLN 6 -12.118 -2.705 2.930 39 HB2 GLN 6 HB2 GLN 6 -9.595 -2.951 4.551 40 HB3 GLN 6 HB1 GLN 6 -11.175 -3.343 5.214 41 HG2 GLN 6 HG2 GLN 6 -11.484 -5.035 3.477 42 HG3 GLN 6 HG1 GLN 6 -9.898 -4.643 2.818 43 HE21 GLN 6 HE21 GLN 6 -8.050 -5.252 3.946 44 HE22 GLN 6 HE22 GLN 6 -8.091 -6.432 5.208 45 H ALA 7 HN ALA 7 -9.972 -0.099 3.688 46 HA ALA 7 HA ALA 7 -11.673 0.996 5.778 47 HB1 ALA 7 HB1 ALA 7 -9.971 2.732 5.969 48 HB2 ALA 7 HB2 ALA 7 -9.165 2.116 4.526 49 HB3 ALA 7 HB3 ALA 7 -9.233 1.129 5.986 50 H GLY 8 HN GLY 8 -12.246 0.810 2.688 51 HA2 GLY 8 HA2 GLY 8 -13.874 2.009 1.484 52 HA3 GLY 8 HA1 GLY 8 -13.605 3.392 2.535 53 H ASN 9 HN ASN 9 -10.842 1.812 1.249 54 HA ASN 9 HA ASN 9 -9.143 2.446 -0.085 55 HB2 ASN 9 HB2 ASN 9 -11.454 3.327 -1.830 56 HB3 ASN 9 HB1 ASN 9 -9.779 3.340 -2.371 57 HD21 ASN 9 HD21 ASN 9 -12.492 1.368 -1.482 58 HD22 ASN 9 HD22 ASN 9 -11.876 -0.120 -2.106 59 H ARG 10 HN ARG 10 -8.582 3.944 1.625 60 HA ARG 10 HA ARG 10 -8.956 6.785 1.002 61 HB2 ARG 10 HB2 ARG 10 -8.029 5.290 3.456 62 HB3 ARG 10 HB1 ARG 10 -7.809 7.026 3.304 63 HG2 ARG 10 HG2 ARG 10 -10.239 7.296 3.047 64 HG3 ARG 10 HG1 ARG 10 -10.438 5.555 3.250 65 HD2 ARG 10 HD2 ARG 10 -10.884 6.490 5.364 66 HD3 ARG 10 HD1 ARG 10 -9.256 5.823 5.478 67 HE ARG 10 HE ARG 10 -8.969 8.477 4.739 68 HH11 ARG 10 HH11 ARG 10 -10.264 6.741 7.506 69 HH12 ARG 10 HH12 ARG 10 -9.903 8.019 8.620 70 HH21 ARG 10 HH21 ARG 10 -8.908 9.937 7.888 71 HH22 ARG 10 HH22 ARG 10 -8.506 10.133 6.215 72 H ALA 11 HN ALA 11 -6.497 7.605 2.382 73 HA ALA 11 HA ALA 11 -4.328 6.467 0.794 74 HB1 ALA 11 HB1 ALA 11 -5.189 8.295 -0.592 75 HB2 ALA 11 HB2 ALA 11 -3.564 8.642 -0.000 76 HB3 ALA 11 HB3 ALA 11 -4.961 9.418 0.748 77 H CYS 12 HN CYS 12 -2.337 6.563 1.808 78 HA CYS 12 HA CYS 12 -2.380 7.645 4.540 79 HB2 CYS 12 HB2 CYS 12 -0.571 5.602 3.242 80 HB3 CYS 12 HB1 CYS 12 -0.367 6.196 4.886 81 H ALA 13 HN ALA 13 -1.473 9.527 4.900 82 HA ALA 13 HA ALA 13 0.972 10.281 3.463 83 HB1 ALA 13 HB1 ALA 13 -0.900 11.345 2.308 84 HB2 ALA 13 HB2 ALA 13 0.150 12.535 3.080 85 HB3 ALA 13 HB3 ALA 13 -1.394 12.109 3.819 86 H ASN 14 HN ASN 14 0.158 9.416 6.299 87 HA ASN 14 HA ASN 14 0.936 11.757 7.844 88 HB2 ASN 14 HB2 ASN 14 -0.104 9.052 8.664 89 HB3 ASN 14 HB1 ASN 14 0.468 10.243 9.827 90 HD21 ASN 14 HD21 ASN 14 -2.002 9.434 7.525 91 HD22 ASN 14 HD22 ASN 14 -3.145 10.630 8.023 92 H GLN 15 HN GLN 15 1.860 8.355 8.157 93 HA GLN 15 HA GLN 15 4.690 9.067 8.082 94 HB2 GLN 15 HB2 GLN 15 3.338 7.727 10.416 95 HB3 GLN 15 HB1 GLN 15 5.064 7.571 10.124 96 HG2 GLN 15 HG2 GLN 15 5.312 9.996 10.301 97 HG3 GLN 15 HG1 GLN 15 3.580 10.150 10.591 98 HE21 GLN 15 HE21 GLN 15 2.726 9.479 12.560 99 HE22 GLN 15 HE22 GLN 15 3.719 9.201 13.946 100 H LEU 16 HN LEU 16 2.244 6.581 8.167 101 HA LEU 16 HA LEU 16 4.084 4.594 7.081 102 HB2 LEU 16 HB2 LEU 16 2.281 2.964 7.477 103 HB3 LEU 16 HB1 LEU 16 2.664 3.854 8.929 104 HG LEU 16 HG LEU 16 0.280 4.513 7.196 105 HD11 LEU 16 HD11 LEU 16 -0.245 2.358 7.823 106 HD12 LEU 16 HD12 LEU 16 -0.911 3.294 9.162 107 HD13 LEU 16 HD13 LEU 16 0.636 2.475 9.345 108 HD21 LEU 16 HD21 LEU 16 1.166 5.298 9.961 109 HD22 LEU 16 HD22 LEU 16 -0.531 5.363 9.489 110 HD23 LEU 16 HD23 LEU 16 0.660 6.333 8.624 111 H CYS 17 HN CYS 17 2.783 3.059 5.346 112 HA CYS 17 HA CYS 17 1.644 4.865 3.341 113 HB2 CYS 17 HB2 CYS 17 4.020 4.626 2.849 114 HB3 CYS 17 HB1 CYS 17 3.843 2.881 2.800 115 H CYS 18 HN CYS 18 0.204 4.178 2.024 116 HA CYS 18 HA CYS 18 -1.139 1.656 2.543 117 HB2 CYS 18 HB2 CYS 18 -2.317 3.833 2.533 118 HB3 CYS 18 HB1 CYS 18 -1.924 4.001 0.831 119 H SER 19 HN SER 19 -2.034 0.394 0.923 120 HA SER 19 HA SER 19 -1.096 0.599 -1.819 121 HB2 SER 19 HB2 SER 19 -0.724 -1.943 -1.821 122 HB3 SER 19 HB1 SER 19 0.524 -0.965 -1.048 123 HG SER 19 HG SER 19 0.104 -1.936 0.755 124 H GLN 20 HN GLN 20 -2.431 -0.515 -3.346 125 HA GLN 20 HA GLN 20 -5.199 -0.533 -2.621 126 HB2 GLN 20 HB2 GLN 20 -3.742 -1.221 -5.173 127 HB3 GLN 20 HB1 GLN 20 -5.487 -1.367 -5.022 128 HG2 GLN 20 HG2 GLN 20 -5.643 1.017 -4.508 129 HG3 GLN 20 HG1 GLN 20 -3.893 1.162 -4.659 130 HE21 GLN 20 HE21 GLN 20 -2.945 1.032 -6.695 131 HE22 GLN 20 HE22 GLN 20 -3.862 1.209 -8.148 132 H TYR 21 HN TYR 21 -5.203 -2.099 -0.967 133 HA TYR 21 HA TYR 21 -5.904 -4.736 -1.815 134 HB2 TYR 21 HB2 TYR 21 -3.640 -5.344 -1.794 135 HB3 TYR 21 HB1 TYR 21 -3.258 -4.252 -0.473 136 HD1 TYR 21 HD1 TYR 21 -4.773 -7.517 -1.304 137 HD2 TYR 21 HD2 TYR 21 -3.311 -4.994 1.784 138 HE1 TYR 21 HE1 TYR 21 -4.851 -9.410 0.262 139 HE2 TYR 21 HE2 TYR 21 -3.383 -6.880 3.365 140 HH TYR 21 HH TYR 21 -4.550 -9.025 3.620 141 H GLY 22 HN GLY 22 -4.828 -2.865 0.960 142 HA2 GLY 22 HA2 GLY 22 -6.894 -2.313 2.458 143 HA3 GLY 22 HA1 GLY 22 -6.915 -4.055 2.643 144 H PHE 23 HN PHE 23 -3.806 -2.646 2.260 145 HA PHE 23 HA PHE 23 -3.389 -2.667 5.155 146 HB2 PHE 23 HB2 PHE 23 -2.561 -4.753 3.751 147 HB3 PHE 23 HB1 PHE 23 -1.194 -3.700 3.428 148 HD1 PHE 23 HD1 PHE 23 -1.603 -6.414 5.047 149 HD2 PHE 23 HD2 PHE 23 -0.995 -2.338 6.133 150 HE1 PHE 23 HE1 PHE 23 -0.617 -7.129 7.183 151 HE2 PHE 23 HE2 PHE 23 -0.009 -3.052 8.269 152 HZ PHE 23 HZ PHE 23 0.183 -5.449 8.795 153 H CYS 24 HN CYS 24 -2.388 -0.982 5.928 154 HA CYS 24 HA CYS 24 -0.463 0.515 4.303 155 HB2 CYS 24 HB2 CYS 24 -2.508 1.836 4.329 156 HB3 CYS 24 HB1 CYS 24 -2.645 1.652 6.069 157 H GLY 25 HN GLY 25 1.470 0.550 5.283 158 HA2 GLY 25 HA2 GLY 25 1.731 0.879 8.135 159 HA3 GLY 25 HA1 GLY 25 2.168 -0.726 7.582 160 H SER 26 HN SER 26 4.321 -0.710 7.931 161 HA SER 26 HA SER 26 5.914 1.329 6.514 162 HB2 SER 26 HB2 SER 26 6.449 0.002 9.171 163 HB3 SER 26 HB1 SER 26 7.650 0.953 8.295 164 HG SER 26 HG SER 26 5.713 2.556 8.324 165 H THR 27 HN THR 27 5.335 -2.003 7.047 166 HA THR 27 HA THR 27 7.819 -3.122 6.352 167 HB THR 27 HB THR 27 5.219 -4.501 5.783 168 HG1 THR 27 HG1 THR 27 4.686 -4.149 7.798 169 HG21 THR 27 HG21 THR 27 7.843 -5.476 6.928 170 HG22 THR 27 HG22 THR 27 7.284 -5.726 5.274 171 HG23 THR 27 HG23 THR 27 6.423 -6.476 6.618 172 H SER 28 HN SER 28 8.351 -4.353 4.421 173 HA SER 28 HA SER 28 7.747 -2.834 2.022 174 HB2 SER 28 HB2 SER 28 9.593 -4.224 1.019 175 HB3 SER 28 HB1 SER 28 10.087 -3.300 2.437 176 HG SER 28 HG SER 28 10.411 -5.834 2.096 177 H GLU 29 HN GLU 29 5.509 -3.754 2.337 178 HA GLU 29 HA GLU 29 5.109 -5.929 0.464 179 HB2 GLU 29 HB2 GLU 29 4.999 -6.911 2.761 180 HB3 GLU 29 HB1 GLU 29 3.739 -5.757 3.168 181 HG2 GLU 29 HG2 GLU 29 2.500 -7.603 2.695 182 HG3 GLU 29 HG1 GLU 29 2.525 -6.808 1.122 183 H TYR 30 HN TYR 30 3.838 -3.374 2.469 184 HA TYR 30 HA TYR 30 1.570 -2.812 0.797 185 HB2 TYR 30 HB2 TYR 30 2.307 -0.734 2.717 186 HB3 TYR 30 HB1 TYR 30 0.789 -1.600 2.542 187 HD1 TYR 30 HD1 TYR 30 1.092 -4.244 3.307 188 HD2 TYR 30 HD2 TYR 30 3.319 -0.929 4.790 189 HE1 TYR 30 HE1 TYR 30 1.574 -5.497 5.361 190 HE2 TYR 30 HE2 TYR 30 3.796 -2.182 6.849 191 HH TYR 30 HH TYR 30 3.245 -5.513 7.156 192 H CYS 31 HN CYS 31 4.664 -1.360 1.551 193 HA CYS 31 HA CYS 31 4.769 -0.065 -1.028 194 HB2 CYS 31 HB2 CYS 31 4.974 1.563 1.510 195 HB3 CYS 31 HB1 CYS 31 5.352 2.154 -0.102 196 H SER 32 HN SER 32 6.564 -0.947 -1.716 197 HA SER 32 HA SER 32 8.956 -0.812 0.007 198 HB2 SER 32 HB2 SER 32 8.137 -3.131 -0.598 199 HB3 SER 32 HB1 SER 32 8.532 -2.751 -2.272 200 HG SER 32 HG SER 32 10.587 -2.973 -1.844 201 H ARG 33 HN ARG 33 10.890 -0.115 -0.895 202 HA ARG 33 HA ARG 33 10.626 1.738 -3.087 203 HB2 ARG 33 HB2 ARG 33 12.953 0.981 -1.315 204 HB3 ARG 33 HB1 ARG 33 13.082 2.164 -2.606 205 HG2 ARG 33 HG2 ARG 33 11.001 2.494 -0.483 206 HG3 ARG 33 HG1 ARG 33 12.675 2.949 -0.163 207 HD2 ARG 33 HD2 ARG 33 11.124 3.961 -2.541 208 HD3 ARG 33 HD1 ARG 33 11.150 4.795 -0.988 209 HE ARG 33 HE ARG 33 13.793 4.343 -1.763 210 HH11 ARG 33 HH11 ARG 33 11.057 6.255 -2.852 211 HH12 ARG 33 HH12 ARG 33 12.051 7.487 -3.555 212 HH21 ARG 33 HH21 ARG 33 15.075 5.967 -2.690 213 HH22 ARG 33 HH22 ARG 33 14.324 7.323 -3.463 214 H ALA 34 HN ALA 34 11.098 -1.513 -3.022 215 HA ALA 34 HA ALA 34 12.811 -1.547 -5.412 216 HB1 ALA 34 HB1 ALA 34 13.654 -2.860 -3.525 217 HB2 ALA 34 HB2 ALA 34 13.265 -3.881 -4.909 218 HB3 ALA 34 HB3 ALA 34 12.169 -3.810 -3.529 219 H ASN 35 HN ASN 35 9.638 -2.191 -4.234 220 HA ASN 35 HA ASN 35 8.905 -3.554 -6.728 221 HB2 ASN 35 HB2 ASN 35 7.465 -3.476 -4.075 222 HB3 ASN 35 HB1 ASN 35 6.811 -4.217 -5.529 223 HD21 ASN 35 HD21 ASN 35 7.709 -6.123 -6.302 224 HD22 ASN 35 HD22 ASN 35 8.738 -7.113 -5.330 225 H GLY 36 HN GLY 36 7.991 -0.899 -4.608 226 HA2 GLY 36 HA2 GLY 36 7.426 1.167 -5.963 227 HA3 GLY 36 HA1 GLY 36 6.230 0.138 -6.734 228 H CYS 37 HN CYS 37 6.476 2.550 -4.673 229 HA CYS 37 HA CYS 37 4.668 1.647 -2.583 230 HB2 CYS 37 HB2 CYS 37 5.912 4.333 -3.183 231 HB3 CYS 37 HB1 CYS 37 4.878 4.011 -1.798 232 H GLN 38 HN GLN 38 2.598 2.753 -2.143 233 HA GLN 38 HA GLN 38 1.357 3.709 -4.643 234 HB2 GLN 38 HB2 GLN 38 -0.083 2.547 -2.254 235 HB3 GLN 38 HB1 GLN 38 -0.726 2.817 -3.871 236 HG2 GLN 38 HG2 GLN 38 1.581 1.134 -4.023 237 HG3 GLN 38 HG1 GLN 38 0.452 0.468 -2.856 238 HE21 GLN 38 HE21 GLN 38 0.990 1.308 -6.178 239 HE22 GLN 38 HE22 GLN 38 -0.366 0.462 -6.833 240 H SER 39 HN SER 39 0.997 4.036 -1.097 241 HA SER 39 HA SER 39 0.175 6.795 -1.391 242 HB2 SER 39 HB2 SER 39 0.141 4.717 0.677 243 HB3 SER 39 HB1 SER 39 0.383 6.352 1.285 244 HG SER 39 HG SER 39 -1.575 6.925 0.582 245 H ASN 40 HN ASN 40 1.263 7.964 0.888 246 HA ASN 40 HA ASN 40 3.823 8.760 -0.093 247 HB2 ASN 40 HB2 ASN 40 1.929 10.054 1.262 248 HB3 ASN 40 HB1 ASN 40 2.930 9.559 2.625 249 HD21 ASN 40 HD21 ASN 40 5.005 10.381 2.833 250 HD22 ASN 40 HD22 ASN 40 5.538 11.770 1.953 251 H CYS 41 HN CYS 41 5.103 6.886 0.007 252 HA CYS 41 HA CYS 41 5.805 5.874 2.666 253 HB2 CYS 41 HB2 CYS 41 6.735 3.986 1.628 254 HB3 CYS 41 HB1 CYS 41 5.397 4.379 0.560 255 H ARG 42 HN ARG 42 7.695 6.205 3.676 256 HA ARG 42 HA ARG 42 9.688 7.096 4.275 257 HB2 ARG 42 HB2 ARG 42 10.121 6.749 1.331 258 HB3 ARG 42 HB1 ARG 42 11.311 7.637 2.267 259 HG2 ARG 42 HG2 ARG 42 12.185 5.514 2.313 260 HG3 ARG 42 HG1 ARG 42 11.270 5.540 3.816 261 HD2 ARG 42 HD2 ARG 42 10.100 4.488 1.251 262 HD3 ARG 42 HD1 ARG 42 11.051 3.472 2.331 263 HE ARG 42 HE ARG 42 8.943 4.814 3.708 264 HH11 ARG 42 HH11 ARG 42 9.599 2.034 1.665 265 HH12 ARG 42 HH12 ARG 42 8.244 1.134 2.259 266 HH21 ARG 42 HH21 ARG 42 7.176 3.618 4.471 267 HH22 ARG 42 HH22 ARG 42 6.874 2.031 3.846 268 H GLY 43 HN GLY 43 7.337 8.854 3.118 269 HA2 GLY 43 HA2 GLY 43 8.849 11.373 2.879 270 HA3 GLY 43 HA1 GLY 43 7.204 11.121 2.316 Start of MODEL 11 1 H1 GLN 1 HT1 GLN 1 -5.096 -0.329 10.959 2 H2 GLN 1 HT2 GLN 1 -3.499 0.216 10.838 3 H3 GLN 1 HT3 GLN 1 -3.866 -1.403 10.515 4 HA GLN 1 HA GLN 1 -3.488 -0.181 8.476 5 HB2 GLN 1 HB2 GLN 1 -6.320 -1.099 8.997 6 HB3 GLN 1 HB1 GLN 1 -5.730 -0.677 7.397 7 HG2 GLN 1 HG2 GLN 1 -5.495 -2.964 7.408 8 HG3 GLN 1 HG1 GLN 1 -3.885 -2.433 7.890 9 HE21 GLN 1 HE21 GLN 1 -3.194 -2.771 9.993 10 HE22 GLN 1 HE22 GLN 1 -4.011 -3.838 11.078 11 H ASN 2 HN ASN 2 -3.810 1.592 7.206 12 HA ASN 2 HA ASN 2 -5.547 3.707 8.291 13 HB2 ASN 2 HB2 ASN 2 -2.799 3.930 7.063 14 HB3 ASN 2 HB1 ASN 2 -3.871 5.314 7.206 15 HD21 ASN 2 HD21 ASN 2 -4.342 6.148 9.240 16 HD22 ASN 2 HD22 ASN 2 -3.400 5.756 10.634 17 H CYS 3 HN CYS 3 -4.348 2.101 5.438 18 HA CYS 3 HA CYS 3 -6.578 2.996 3.854 19 HB2 CYS 3 HB2 CYS 3 -5.480 4.928 3.319 20 HB3 CYS 3 HB1 CYS 3 -3.901 4.245 3.660 21 H GLY 4 HN GLY 4 -6.421 2.190 1.560 22 HA2 GLY 4 HA2 GLY 4 -4.776 0.534 0.315 23 HA3 GLY 4 HA1 GLY 4 -5.403 -0.542 1.545 24 H ARG 5 HN ARG 5 -7.277 -1.577 1.154 25 HA ARG 5 HA ARG 5 -9.065 -0.577 -0.957 26 HB2 ARG 5 HB2 ARG 5 -8.280 -3.480 -0.637 27 HB3 ARG 5 HB1 ARG 5 -9.371 -2.822 -1.846 28 HG2 ARG 5 HG2 ARG 5 -7.430 -1.490 -2.715 29 HG3 ARG 5 HG1 ARG 5 -6.403 -2.428 -1.630 30 HD2 ARG 5 HD2 ARG 5 -6.267 -3.541 -3.694 31 HD3 ARG 5 HD1 ARG 5 -7.396 -4.496 -2.738 32 HE ARG 5 HE ARG 5 -8.786 -2.578 -4.290 33 HH11 ARG 5 HH11 ARG 5 -7.120 -5.651 -4.625 34 HH12 ARG 5 HH12 ARG 5 -8.035 -6.126 -6.016 35 HH21 ARG 5 HH21 ARG 5 -9.973 -3.221 -6.111 36 HH22 ARG 5 HH22 ARG 5 -9.648 -4.751 -6.856 37 H GLN 6 HN GLN 6 -8.558 -2.197 2.009 38 HA GLN 6 HA GLN 6 -11.308 -3.055 2.364 39 HB2 GLN 6 HB2 GLN 6 -8.853 -3.263 4.088 40 HB3 GLN 6 HB1 GLN 6 -10.443 -3.735 4.669 41 HG2 GLN 6 HG2 GLN 6 -10.614 -5.377 2.868 42 HG3 GLN 6 HG1 GLN 6 -9.019 -4.904 2.288 43 HE21 GLN 6 HE21 GLN 6 -7.197 -5.481 3.472 44 HE22 GLN 6 HE22 GLN 6 -7.242 -6.702 4.692 45 H ALA 7 HN ALA 7 -9.310 -0.393 3.312 46 HA ALA 7 HA ALA 7 -11.155 0.549 5.353 47 HB1 ALA 7 HB1 ALA 7 -9.548 2.349 5.692 48 HB2 ALA 7 HB2 ALA 7 -8.643 1.825 4.272 49 HB3 ALA 7 HB3 ALA 7 -8.740 0.781 5.691 50 H GLY 8 HN GLY 8 -11.535 0.458 2.220 51 HA2 GLY 8 HA2 GLY 8 -13.227 1.617 1.039 52 HA3 GLY 8 HA1 GLY 8 -12.990 2.998 2.097 53 H ASN 9 HN ASN 9 -10.177 1.485 0.808 54 HA ASN 9 HA ASN 9 -8.490 2.192 -0.520 55 HB2 ASN 9 HB2 ASN 9 -10.414 1.609 -2.181 56 HB3 ASN 9 HB1 ASN 9 -10.516 3.348 -2.432 57 HD21 ASN 9 HD21 ASN 9 -8.609 0.488 -2.888 58 HD22 ASN 9 HD22 ASN 9 -7.475 1.171 -3.999 59 H ARG 10 HN ARG 10 -8.654 3.839 1.475 60 HA ARG 10 HA ARG 10 -8.932 6.611 0.663 61 HB2 ARG 10 HB2 ARG 10 -8.308 5.228 3.272 62 HB3 ARG 10 HB1 ARG 10 -8.185 6.972 3.106 63 HG2 ARG 10 HG2 ARG 10 -10.550 7.079 2.484 64 HG3 ARG 10 HG1 ARG 10 -10.669 5.327 2.660 65 HD2 ARG 10 HD2 ARG 10 -10.061 5.525 5.021 66 HD3 ARG 10 HD1 ARG 10 -9.936 7.274 4.844 67 HE ARG 10 HE ARG 10 -12.490 6.460 4.014 68 HH11 ARG 10 HH11 ARG 10 -10.633 6.721 6.984 69 HH12 ARG 10 HH12 ARG 10 -12.035 6.942 7.976 70 HH21 ARG 10 HH21 ARG 10 -14.115 6.957 7.041 71 HH22 ARG 10 HH22 ARG 10 -14.311 6.750 5.333 72 H ALA 11 HN ALA 11 -6.814 7.629 2.399 73 HA ALA 11 HA ALA 11 -4.330 6.715 1.140 74 HB1 ALA 11 HB1 ALA 11 -3.647 8.996 0.617 75 HB2 ALA 11 HB2 ALA 11 -5.205 9.601 1.183 76 HB3 ALA 11 HB3 ALA 11 -5.125 8.567 -0.245 77 H CYS 12 HN CYS 12 -2.505 6.951 2.442 78 HA CYS 12 HA CYS 12 -3.050 7.521 5.235 79 HB2 CYS 12 HB2 CYS 12 -0.538 6.485 3.914 80 HB3 CYS 12 HB1 CYS 12 -0.795 6.610 5.652 81 H ALA 13 HN ALA 13 -0.026 8.292 3.616 82 HA ALA 13 HA ALA 13 1.334 10.110 3.623 83 HB1 ALA 13 HB1 ALA 13 -1.232 11.648 3.301 84 HB2 ALA 13 HB2 ALA 13 -0.356 10.835 2.003 85 HB3 ALA 13 HB3 ALA 13 0.387 12.189 2.853 86 H ASN 14 HN ASN 14 0.266 9.280 6.303 87 HA ASN 14 HA ASN 14 0.404 11.820 7.750 88 HB2 ASN 14 HB2 ASN 14 -0.479 9.067 8.598 89 HB3 ASN 14 HB1 ASN 14 -0.223 10.371 9.752 90 HD21 ASN 14 HD21 ASN 14 -1.595 12.170 9.707 91 HD22 ASN 14 HD22 ASN 14 -3.146 12.105 8.949 92 H GLN 15 HN GLN 15 1.723 8.562 8.074 93 HA GLN 15 HA GLN 15 4.392 9.584 8.589 94 HB2 GLN 15 HB2 GLN 15 2.807 8.055 10.645 95 HB3 GLN 15 HB1 GLN 15 4.565 8.012 10.628 96 HG2 GLN 15 HG2 GLN 15 4.628 10.438 10.901 97 HG3 GLN 15 HG1 GLN 15 2.865 10.482 10.913 98 HE21 GLN 15 HE21 GLN 15 5.728 9.597 12.670 99 HE22 GLN 15 HE22 GLN 15 4.964 9.369 14.204 100 H LEU 16 HN LEU 16 2.201 6.991 7.966 101 HA LEU 16 HA LEU 16 4.412 5.275 7.057 102 HB2 LEU 16 HB2 LEU 16 2.642 3.405 7.240 103 HB3 LEU 16 HB1 LEU 16 3.354 4.007 8.720 104 HG LEU 16 HG LEU 16 0.699 5.044 7.745 105 HD11 LEU 16 HD11 LEU 16 0.550 2.591 7.845 106 HD12 LEU 16 HD12 LEU 16 -0.431 3.375 9.081 107 HD13 LEU 16 HD13 LEU 16 1.112 2.641 9.517 108 HD21 LEU 16 HD21 LEU 16 1.765 6.288 9.554 109 HD22 LEU 16 HD22 LEU 16 1.928 4.806 10.496 110 HD23 LEU 16 HD23 LEU 16 0.327 5.455 10.141 111 H CYS 17 HN CYS 17 2.827 3.473 5.513 112 HA CYS 17 HA CYS 17 1.511 5.079 3.497 113 HB2 CYS 17 HB2 CYS 17 3.070 3.806 1.752 114 HB3 CYS 17 HB1 CYS 17 3.545 5.355 2.439 115 H CYS 18 HN CYS 18 0.156 4.062 2.175 116 HA CYS 18 HA CYS 18 -0.350 1.215 2.752 117 HB2 CYS 18 HB2 CYS 18 -2.659 1.668 2.026 118 HB3 CYS 18 HB1 CYS 18 -2.178 2.749 3.330 119 H SER 19 HN SER 19 -1.131 -0.165 1.142 120 HA SER 19 HA SER 19 -0.317 0.531 -1.611 121 HB2 SER 19 HB2 SER 19 0.136 -1.947 -1.893 122 HB3 SER 19 HB1 SER 19 1.216 -1.152 -0.748 123 HG SER 19 HG SER 19 0.474 -3.051 0.169 124 H GLN 20 HN GLN 20 -1.474 -1.118 -3.217 125 HA GLN 20 HA GLN 20 -4.307 -0.755 -2.840 126 HB2 GLN 20 HB2 GLN 20 -2.806 -0.687 -5.039 127 HB3 GLN 20 HB1 GLN 20 -3.221 -2.394 -5.092 128 HG2 GLN 20 HG2 GLN 20 -5.592 -1.825 -5.088 129 HG3 GLN 20 HG1 GLN 20 -5.185 -0.112 -5.010 130 HE21 GLN 20 HE21 GLN 20 -4.328 0.903 -6.824 131 HE22 GLN 20 HE22 GLN 20 -4.427 0.204 -8.401 132 H TYR 21 HN TYR 21 -4.273 -2.086 -0.849 133 HA TYR 21 HA TYR 21 -5.106 -4.804 -1.406 134 HB2 TYR 21 HB2 TYR 21 -2.826 -5.312 -1.006 135 HB3 TYR 21 HB1 TYR 21 -2.702 -4.127 0.284 136 HD1 TYR 21 HD1 TYR 21 -3.962 -7.479 -0.591 137 HD2 TYR 21 HD2 TYR 21 -3.221 -4.709 2.546 138 HE1 TYR 21 HE1 TYR 21 -4.320 -9.268 1.056 139 HE2 TYR 21 HE2 TYR 21 -3.576 -6.492 4.207 140 HH TYR 21 HH TYR 21 -3.701 -9.777 3.383 141 H GLY 22 HN GLY 22 -4.293 -2.679 1.288 142 HA2 GLY 22 HA2 GLY 22 -6.489 -1.822 2.418 143 HA3 GLY 22 HA1 GLY 22 -6.700 -3.533 2.731 144 H PHE 23 HN PHE 23 -3.471 -2.288 2.713 145 HA PHE 23 HA PHE 23 -3.448 -2.115 5.632 146 HB2 PHE 23 HB2 PHE 23 -2.681 -4.405 4.620 147 HB3 PHE 23 HB1 PHE 23 -1.202 -3.535 4.261 148 HD1 PHE 23 HD1 PHE 23 -0.382 -2.076 6.476 149 HD2 PHE 23 HD2 PHE 23 -2.621 -5.701 6.484 150 HE1 PHE 23 HE1 PHE 23 0.401 -2.556 8.756 151 HE2 PHE 23 HE2 PHE 23 -1.842 -6.179 8.764 152 HZ PHE 23 HZ PHE 23 -0.328 -4.608 9.904 153 H CYS 24 HN CYS 24 -2.423 -0.391 6.358 154 HA CYS 24 HA CYS 24 -0.423 0.970 4.699 155 HB2 CYS 24 HB2 CYS 24 -2.528 2.165 5.563 156 HB3 CYS 24 HB1 CYS 24 -1.774 2.070 7.150 157 H GLY 25 HN GLY 25 1.582 1.610 5.639 158 HA2 GLY 25 HA2 GLY 25 2.473 1.388 8.210 159 HA3 GLY 25 HA1 GLY 25 2.599 -0.246 7.598 160 H SER 26 HN SER 26 4.724 -0.600 7.281 161 HA SER 26 HA SER 26 6.172 1.221 5.492 162 HB2 SER 26 HB2 SER 26 7.198 0.238 8.154 163 HB3 SER 26 HB1 SER 26 8.196 1.029 6.935 164 HG SER 26 HG SER 26 7.399 2.487 8.536 165 H THR 27 HN THR 27 5.549 -1.962 6.599 166 HA THR 27 HA THR 27 7.811 -3.367 5.707 167 HB THR 27 HB THR 27 5.009 -4.482 5.677 168 HG1 THR 27 HG1 THR 27 4.916 -4.175 7.757 169 HG21 THR 27 HG21 THR 27 7.665 -5.744 6.383 170 HG22 THR 27 HG22 THR 27 6.764 -6.008 4.890 171 HG23 THR 27 HG23 THR 27 6.097 -6.551 6.429 172 H SER 28 HN SER 28 7.859 -4.926 3.862 173 HA SER 28 HA SER 28 7.351 -3.540 1.388 174 HB2 SER 28 HB2 SER 28 9.458 -4.773 1.913 175 HB3 SER 28 HB1 SER 28 8.546 -6.278 1.812 176 HG SER 28 HG SER 28 8.874 -4.375 -0.272 177 H GLU 29 HN GLU 29 4.948 -3.911 2.277 178 HA GLU 29 HA GLU 29 3.722 -5.742 0.387 179 HB2 GLU 29 HB2 GLU 29 3.218 -5.897 3.370 180 HB3 GLU 29 HB1 GLU 29 2.069 -6.505 2.189 181 HG2 GLU 29 HG2 GLU 29 4.914 -7.452 2.235 182 HG3 GLU 29 HG1 GLU 29 3.686 -8.163 3.279 183 H TYR 30 HN TYR 30 3.393 -3.372 2.918 184 HA TYR 30 HA TYR 30 0.999 -2.201 1.768 185 HB2 TYR 30 HB2 TYR 30 2.221 -0.681 3.923 186 HB3 TYR 30 HB1 TYR 30 0.599 -1.340 3.809 187 HD1 TYR 30 HD1 TYR 30 0.886 -4.215 3.934 188 HD2 TYR 30 HD2 TYR 30 3.200 -1.241 5.908 189 HE1 TYR 30 HE1 TYR 30 1.410 -5.817 5.722 190 HE2 TYR 30 HE2 TYR 30 3.726 -2.833 7.699 191 HH TYR 30 HH TYR 30 2.801 -4.889 8.673 192 H CYS 31 HN CYS 31 4.401 -1.642 2.086 193 HA CYS 31 HA CYS 31 4.168 0.687 0.326 194 HB2 CYS 31 HB2 CYS 31 6.347 0.369 2.393 195 HB3 CYS 31 HB1 CYS 31 5.981 1.795 1.427 196 H SER 32 HN SER 32 4.413 -0.654 -1.466 197 HA SER 32 HA SER 32 6.633 -2.463 -1.708 198 HB2 SER 32 HB2 SER 32 4.476 -1.517 -3.561 199 HB3 SER 32 HB1 SER 32 5.821 -2.486 -4.161 200 HG SER 32 HG SER 32 5.140 -4.180 -3.004 201 H ARG 33 HN ARG 33 8.530 -2.240 -2.669 202 HA ARG 33 HA ARG 33 9.262 0.402 -3.717 203 HB2 ARG 33 HB2 ARG 33 10.467 -0.776 -1.687 204 HB3 ARG 33 HB1 ARG 33 11.241 -1.741 -2.925 205 HG2 ARG 33 HG2 ARG 33 11.421 1.271 -2.891 206 HG3 ARG 33 HG1 ARG 33 12.544 0.241 -2.007 207 HD2 ARG 33 HD2 ARG 33 13.174 -0.863 -4.105 208 HD3 ARG 33 HD1 ARG 33 12.062 0.182 -4.989 209 HE ARG 33 HE ARG 33 13.737 1.877 -3.613 210 HH11 ARG 33 HH11 ARG 33 14.172 -0.617 -6.049 211 HH12 ARG 33 HH12 ARG 33 15.584 0.126 -6.721 212 HH21 ARG 33 HH21 ARG 33 15.589 2.830 -4.510 213 HH22 ARG 33 HH22 ARG 33 16.386 2.075 -5.850 214 H ALA 34 HN ALA 34 9.103 -2.986 -4.414 215 HA ALA 34 HA ALA 34 10.244 -2.571 -7.091 216 HB1 ALA 34 HB1 ALA 34 10.610 -4.974 -7.177 217 HB2 ALA 34 HB2 ALA 34 9.847 -5.158 -5.598 218 HB3 ALA 34 HB3 ALA 34 11.369 -4.279 -5.746 219 H ASN 35 HN ASN 35 7.412 -3.558 -5.347 220 HA ASN 35 HA ASN 35 6.020 -4.388 -7.774 221 HB2 ASN 35 HB2 ASN 35 5.301 -4.532 -4.848 222 HB3 ASN 35 HB1 ASN 35 4.123 -4.865 -6.113 223 HD21 ASN 35 HD21 ASN 35 4.370 -6.693 -7.397 224 HD22 ASN 35 HD22 ASN 35 5.406 -7.998 -6.942 225 H GLY 36 HN GLY 36 6.408 -1.600 -5.846 226 HA2 GLY 36 HA2 GLY 36 5.682 0.548 -6.495 227 HA3 GLY 36 HA1 GLY 36 4.402 -0.191 -7.440 228 H CYS 37 HN CYS 37 5.130 1.498 -4.649 229 HA CYS 37 HA CYS 37 2.880 0.518 -3.089 230 HB2 CYS 37 HB2 CYS 37 3.659 2.445 -1.519 231 HB3 CYS 37 HB1 CYS 37 4.687 1.030 -1.695 232 H GLN 38 HN GLN 38 1.427 2.363 -2.053 233 HA GLN 38 HA GLN 38 0.447 3.917 -4.353 234 HB2 GLN 38 HB2 GLN 38 -1.094 2.952 -1.940 235 HB3 GLN 38 HB1 GLN 38 -1.768 3.792 -3.330 236 HG2 GLN 38 HG2 GLN 38 -0.260 1.269 -3.794 237 HG3 GLN 38 HG1 GLN 38 -1.886 1.167 -3.117 238 HE21 GLN 38 HE21 GLN 38 -3.645 1.835 -4.365 239 HE22 GLN 38 HE22 GLN 38 -3.530 2.034 -6.077 240 H SER 39 HN SER 39 0.306 4.230 -0.768 241 HA SER 39 HA SER 39 -0.032 7.073 -0.925 242 HB2 SER 39 HB2 SER 39 -0.928 5.430 0.860 243 HB3 SER 39 HB1 SER 39 0.678 5.565 1.569 244 HG SER 39 HG SER 39 0.315 7.626 2.068 245 H ASN 40 HN ASN 40 1.420 8.085 1.140 246 HA ASN 40 HA ASN 40 3.912 8.720 -0.014 247 HB2 ASN 40 HB2 ASN 40 2.390 10.014 1.658 248 HB3 ASN 40 HB1 ASN 40 3.285 9.131 2.891 249 HD21 ASN 40 HD21 ASN 40 5.475 9.564 3.188 250 HD22 ASN 40 HD22 ASN 40 6.224 10.990 2.564 251 H CYS 41 HN CYS 41 4.956 6.763 -0.358 252 HA CYS 41 HA CYS 41 5.885 5.292 1.995 253 HB2 CYS 41 HB2 CYS 41 6.606 3.621 0.118 254 HB3 CYS 41 HB1 CYS 41 4.902 3.744 0.544 255 H ARG 42 HN ARG 42 7.149 6.194 -1.172 256 HA ARG 42 HA ARG 42 9.865 6.325 -0.126 257 HB2 ARG 42 HB2 ARG 42 8.768 6.437 -2.933 258 HB3 ARG 42 HB1 ARG 42 10.470 6.665 -2.559 259 HG2 ARG 42 HG2 ARG 42 10.655 4.432 -1.721 260 HG3 ARG 42 HG1 ARG 42 8.912 4.192 -1.836 261 HD2 ARG 42 HD2 ARG 42 10.647 4.797 -4.220 262 HD3 ARG 42 HD1 ARG 42 10.307 3.157 -3.675 263 HE ARG 42 HE ARG 42 7.889 4.568 -4.008 264 HH11 ARG 42 HH11 ARG 42 10.436 3.117 -5.941 265 HH12 ARG 42 HH12 ARG 42 9.397 2.822 -7.296 266 HH21 ARG 42 HH21 ARG 42 6.548 4.172 -5.792 267 HH22 ARG 42 HH22 ARG 42 7.198 3.420 -7.210 268 H GLY 43 HN GLY 43 7.384 8.406 -1.401 269 HA2 GLY 43 HA2 GLY 43 8.581 10.749 -0.290 270 HA3 GLY 43 HA1 GLY 43 8.753 10.715 -2.038 Start of MODEL 12 1 H1 GLN 1 HT1 GLN 1 -4.374 -1.913 10.571 2 H2 GLN 1 HT2 GLN 1 -5.524 -0.742 10.981 3 H3 GLN 1 HT3 GLN 1 -3.874 -0.378 11.079 4 HA GLN 1 HA GLN 1 -3.621 -0.566 8.723 5 HB2 GLN 1 HB2 GLN 1 -5.700 -0.793 7.296 6 HB3 GLN 1 HB1 GLN 1 -5.249 -2.250 8.163 7 HG2 GLN 1 HG2 GLN 1 -7.301 -0.393 9.306 8 HG3 GLN 1 HG1 GLN 1 -7.737 -1.539 8.040 9 HE21 GLN 1 HE21 GLN 1 -7.684 -3.745 8.482 10 HE22 GLN 1 HE22 GLN 1 -7.644 -4.357 10.096 11 H ASN 2 HN ASN 2 -3.944 1.225 7.327 12 HA ASN 2 HA ASN 2 -5.309 3.507 8.590 13 HB2 ASN 2 HB2 ASN 2 -2.556 3.270 7.511 14 HB3 ASN 2 HB1 ASN 2 -3.415 4.746 7.086 15 HD21 ASN 2 HD21 ASN 2 -3.909 6.227 8.667 16 HD22 ASN 2 HD22 ASN 2 -3.254 6.151 10.264 17 H CYS 3 HN CYS 3 -4.792 1.683 5.702 18 HA CYS 3 HA CYS 3 -6.938 2.915 4.308 19 HB2 CYS 3 HB2 CYS 3 -5.603 4.755 3.809 20 HB3 CYS 3 HB1 CYS 3 -4.138 3.797 3.739 21 H GLY 4 HN GLY 4 -6.786 2.248 1.841 22 HA2 GLY 4 HA2 GLY 4 -5.479 0.397 0.559 23 HA3 GLY 4 HA1 GLY 4 -6.187 -0.614 1.800 24 H ARG 5 HN ARG 5 -8.013 -1.585 1.272 25 HA ARG 5 HA ARG 5 -9.823 -0.290 -0.659 26 HB2 ARG 5 HB2 ARG 5 -9.230 -3.253 -0.553 27 HB3 ARG 5 HB1 ARG 5 -10.306 -2.443 -1.684 28 HG2 ARG 5 HG2 ARG 5 -8.296 -1.158 -2.485 29 HG3 ARG 5 HG1 ARG 5 -7.317 -2.262 -1.520 30 HD2 ARG 5 HD2 ARG 5 -7.313 -3.154 -3.706 31 HD3 ARG 5 HD1 ARG 5 -8.438 -4.149 -2.785 32 HE ARG 5 HE ARG 5 -9.822 -2.046 -4.074 33 HH11 ARG 5 HH11 ARG 5 -8.274 -5.112 -4.805 34 HH12 ARG 5 HH12 ARG 5 -9.266 -5.412 -6.194 35 HH21 ARG 5 HH21 ARG 5 -11.107 -2.459 -5.895 36 HH22 ARG 5 HH22 ARG 5 -10.867 -3.910 -6.809 37 H GLN 6 HN GLN 6 -9.344 -1.944 2.248 38 HA GLN 6 HA GLN 6 -12.140 -2.671 2.651 39 HB2 GLN 6 HB2 GLN 6 -9.655 -3.111 4.293 40 HB3 GLN 6 HB1 GLN 6 -11.260 -3.499 4.895 41 HG2 GLN 6 HG2 GLN 6 -11.577 -5.050 3.026 42 HG3 GLN 6 HG1 GLN 6 -9.956 -4.671 2.446 43 HE21 GLN 6 HE21 GLN 6 -8.171 -5.421 3.589 44 HE22 GLN 6 HE22 GLN 6 -8.294 -6.684 4.761 45 H ALA 7 HN ALA 7 -9.943 -0.165 3.542 46 HA ALA 7 HA ALA 7 -11.581 0.838 5.726 47 HB1 ALA 7 HB1 ALA 7 -9.087 1.990 4.473 48 HB2 ALA 7 HB2 ALA 7 -9.135 0.928 5.881 49 HB3 ALA 7 HB3 ALA 7 -9.849 2.538 5.966 50 H GLY 8 HN GLY 8 -12.251 0.823 2.656 51 HA2 GLY 8 HA2 GLY 8 -13.898 2.116 1.578 52 HA3 GLY 8 HA1 GLY 8 -13.541 3.447 2.670 53 H ASN 9 HN ASN 9 -10.832 1.899 1.290 54 HA ASN 9 HA ASN 9 -9.166 2.547 -0.076 55 HB2 ASN 9 HB2 ASN 9 -11.516 3.439 -1.765 56 HB3 ASN 9 HB1 ASN 9 -9.851 3.462 -2.341 57 HD21 ASN 9 HD21 ASN 9 -8.790 1.524 -2.733 58 HD22 ASN 9 HD22 ASN 9 -9.635 0.024 -2.872 59 H ARG 10 HN ARG 10 -8.645 4.054 1.688 60 HA ARG 10 HA ARG 10 -9.017 6.893 1.064 61 HB2 ARG 10 HB2 ARG 10 -8.039 5.403 3.504 62 HB3 ARG 10 HB1 ARG 10 -7.858 7.144 3.353 63 HG2 ARG 10 HG2 ARG 10 -10.290 7.371 3.138 64 HG3 ARG 10 HG1 ARG 10 -10.458 5.624 3.322 65 HD2 ARG 10 HD2 ARG 10 -9.448 5.761 5.544 66 HD3 ARG 10 HD1 ARG 10 -9.266 7.504 5.358 67 HE ARG 10 HE ARG 10 -11.967 6.767 4.985 68 HH11 ARG 10 HH11 ARG 10 -9.599 7.128 7.554 69 HH12 ARG 10 HH12 ARG 10 -10.793 7.454 8.766 70 HH21 ARG 10 HH21 ARG 10 -13.007 7.492 8.217 71 HH22 ARG 10 HH22 ARG 10 -13.512 7.196 6.587 72 H ALA 11 HN ALA 11 -6.500 7.645 2.479 73 HA ALA 11 HA ALA 11 -4.386 6.556 0.787 74 HB1 ALA 11 HB1 ALA 11 -4.979 9.513 0.871 75 HB2 ALA 11 HB2 ALA 11 -5.263 8.444 -0.503 76 HB3 ALA 11 HB3 ALA 11 -3.617 8.748 0.053 77 H CYS 12 HN CYS 12 -2.407 6.517 1.775 78 HA CYS 12 HA CYS 12 -2.301 7.579 4.515 79 HB2 CYS 12 HB2 CYS 12 -0.686 5.429 3.142 80 HB3 CYS 12 HB1 CYS 12 -0.338 6.020 4.762 81 H ALA 13 HN ALA 13 -1.257 9.412 4.840 82 HA ALA 13 HA ALA 13 1.251 9.958 3.443 83 HB1 ALA 13 HB1 ALA 13 -1.025 11.935 3.455 84 HB2 ALA 13 HB2 ALA 13 -0.476 11.006 2.060 85 HB3 ALA 13 HB3 ALA 13 0.589 12.204 2.795 86 H ASN 14 HN ASN 14 0.165 9.424 6.285 87 HA ASN 14 HA ASN 14 0.956 11.860 7.662 88 HB2 ASN 14 HB2 ASN 14 -0.244 9.279 8.648 89 HB3 ASN 14 HB1 ASN 14 0.292 10.556 9.734 90 HD21 ASN 14 HD21 ASN 14 -0.840 12.495 9.805 91 HD22 ASN 14 HD22 ASN 14 -2.433 12.652 9.156 92 H GLN 15 HN GLN 15 1.763 8.438 8.104 93 HA GLN 15 HA GLN 15 4.592 9.111 8.363 94 HB2 GLN 15 HB2 GLN 15 2.977 7.706 10.484 95 HB3 GLN 15 HB1 GLN 15 4.725 7.553 10.384 96 HG2 GLN 15 HG2 GLN 15 4.955 9.968 10.670 97 HG3 GLN 15 HG1 GLN 15 3.202 10.121 10.769 98 HE21 GLN 15 HE21 GLN 15 6.086 9.045 12.377 99 HE22 GLN 15 HE22 GLN 15 5.385 8.848 13.943 100 H LEU 16 HN LEU 16 2.143 6.625 8.165 101 HA LEU 16 HA LEU 16 4.084 4.734 7.059 102 HB2 LEU 16 HB2 LEU 16 2.346 3.003 7.415 103 HB3 LEU 16 HB1 LEU 16 2.766 3.830 8.895 104 HG LEU 16 HG LEU 16 0.296 4.536 7.312 105 HD11 LEU 16 HD11 LEU 16 -0.011 2.250 7.780 106 HD12 LEU 16 HD12 LEU 16 -0.876 3.111 9.054 107 HD13 LEU 16 HD13 LEU 16 0.703 2.402 9.387 108 HD21 LEU 16 HD21 LEU 16 1.244 5.075 10.118 109 HD22 LEU 16 HD22 LEU 16 -0.458 5.184 9.673 110 HD23 LEU 16 HD23 LEU 16 0.724 6.230 8.891 111 H CYS 17 HN CYS 17 2.756 3.181 5.326 112 HA CYS 17 HA CYS 17 1.575 5.033 3.381 113 HB2 CYS 17 HB2 CYS 17 2.983 4.361 1.633 114 HB3 CYS 17 HB1 CYS 17 4.074 4.418 3.010 115 H CYS 18 HN CYS 18 0.098 4.325 2.010 116 HA CYS 18 HA CYS 18 -1.359 1.939 2.748 117 HB2 CYS 18 HB2 CYS 18 -2.511 4.089 2.437 118 HB3 CYS 18 HB1 CYS 18 -2.003 4.113 0.759 119 H SER 19 HN SER 19 -2.157 0.436 1.302 120 HA SER 19 HA SER 19 -0.709 0.101 -1.229 121 HB2 SER 19 HB2 SER 19 -0.025 -1.503 0.559 122 HB3 SER 19 HB1 SER 19 -1.681 -2.103 0.592 123 HG SER 19 HG SER 19 -0.025 -3.215 -0.797 124 H GLN 20 HN GLN 20 -1.947 -1.235 -2.846 125 HA GLN 20 HA GLN 20 -4.775 -0.513 -2.789 126 HB2 GLN 20 HB2 GLN 20 -2.956 -1.523 -4.977 127 HB3 GLN 20 HB1 GLN 20 -4.696 -1.398 -5.192 128 HG2 GLN 20 HG2 GLN 20 -4.568 1.007 -4.723 129 HG3 GLN 20 HG1 GLN 20 -2.819 0.867 -4.556 130 HE21 GLN 20 HE21 GLN 20 -5.504 0.824 -6.757 131 HE22 GLN 20 HE22 GLN 20 -4.580 0.959 -8.210 132 H TYR 21 HN TYR 21 -5.103 -2.071 -1.024 133 HA TYR 21 HA TYR 21 -6.288 -4.482 -1.912 134 HB2 TYR 21 HB2 TYR 21 -4.342 -5.714 -1.958 135 HB3 TYR 21 HB1 TYR 21 -3.513 -4.630 -0.853 136 HD1 TYR 21 HD1 TYR 21 -5.904 -7.453 -1.021 137 HD2 TYR 21 HD2 TYR 21 -3.330 -5.147 1.451 138 HE1 TYR 21 HE1 TYR 21 -6.170 -9.108 0.777 139 HE2 TYR 21 HE2 TYR 21 -3.585 -6.796 3.260 140 HH TYR 21 HH TYR 21 -4.964 -9.861 2.777 141 H GLY 22 HN GLY 22 -4.732 -3.084 0.918 142 HA2 GLY 22 HA2 GLY 22 -6.702 -2.203 2.472 143 HA3 GLY 22 HA1 GLY 22 -6.910 -3.931 2.660 144 H PHE 23 HN PHE 23 -3.737 -2.504 2.215 145 HA PHE 23 HA PHE 23 -3.187 -2.871 5.067 146 HB2 PHE 23 HB2 PHE 23 -2.425 -4.790 3.406 147 HB3 PHE 23 HB1 PHE 23 -1.076 -3.702 3.130 148 HD1 PHE 23 HD1 PHE 23 -1.037 -2.679 6.112 149 HD2 PHE 23 HD2 PHE 23 -1.096 -6.536 4.304 150 HE1 PHE 23 HE1 PHE 23 0.061 -3.625 8.099 151 HE2 PHE 23 HE2 PHE 23 -0.001 -7.484 6.291 152 HZ PHE 23 HZ PHE 23 0.580 -6.029 8.190 153 H CYS 24 HN CYS 24 -2.520 -0.994 5.854 154 HA CYS 24 HA CYS 24 -0.550 0.573 4.334 155 HB2 CYS 24 HB2 CYS 24 -2.674 1.791 4.561 156 HB3 CYS 24 HB1 CYS 24 -2.624 1.561 6.301 157 H GLY 25 HN GLY 25 1.410 0.710 5.258 158 HA2 GLY 25 HA2 GLY 25 1.808 0.863 8.089 159 HA3 GLY 25 HA1 GLY 25 2.226 -0.719 7.460 160 H SER 26 HN SER 26 4.395 -0.701 7.710 161 HA SER 26 HA SER 26 5.906 1.329 6.196 162 HB2 SER 26 HB2 SER 26 6.523 0.220 8.931 163 HB3 SER 26 HB1 SER 26 7.684 1.128 7.964 164 HG SER 26 HG SER 26 5.582 2.613 7.940 165 H THR 27 HN THR 27 5.472 -1.973 7.028 166 HA THR 27 HA THR 27 7.938 -3.115 6.436 167 HB THR 27 HB THR 27 5.361 -4.504 5.776 168 HG1 THR 27 HG1 THR 27 4.779 -3.848 7.733 169 HG21 THR 27 HG21 THR 27 7.443 -5.761 5.424 170 HG22 THR 27 HG22 THR 27 6.503 -6.455 6.744 171 HG23 THR 27 HG23 THR 27 7.913 -5.454 7.096 172 H SER 28 HN SER 28 8.513 -4.490 4.574 173 HA SER 28 HA SER 28 8.255 -3.002 2.117 174 HB2 SER 28 HB2 SER 28 10.422 -3.911 2.931 175 HB3 SER 28 HB1 SER 28 9.806 -5.538 2.648 176 HG SER 28 HG SER 28 10.903 -3.825 0.899 177 H GLU 29 HN GLU 29 5.915 -3.529 2.170 178 HA GLU 29 HA GLU 29 5.342 -5.547 0.179 179 HB2 GLU 29 HB2 GLU 29 4.064 -5.599 2.926 180 HB3 GLU 29 HB1 GLU 29 3.291 -6.318 1.522 181 HG2 GLU 29 HG2 GLU 29 6.058 -7.111 2.364 182 HG3 GLU 29 HG1 GLU 29 4.625 -7.841 3.086 183 H TYR 30 HN TYR 30 4.176 -3.144 2.417 184 HA TYR 30 HA TYR 30 2.235 -2.109 0.529 185 HB2 TYR 30 HB2 TYR 30 2.433 -0.457 2.853 186 HB3 TYR 30 HB1 TYR 30 1.099 -1.489 2.376 187 HD1 TYR 30 HD1 TYR 30 3.473 -0.857 4.889 188 HD2 TYR 30 HD2 TYR 30 1.427 -4.066 2.982 189 HE1 TYR 30 HE1 TYR 30 3.869 -2.278 6.850 190 HE2 TYR 30 HE2 TYR 30 1.827 -5.493 4.940 191 HH TYR 30 HH TYR 30 2.914 -4.270 7.911 192 H CYS 31 HN CYS 31 5.237 -1.259 2.070 193 HA CYS 31 HA CYS 31 5.422 1.194 0.474 194 HB2 CYS 31 HB2 CYS 31 7.052 0.301 2.866 195 HB3 CYS 31 HB1 CYS 31 7.320 1.790 1.978 196 H SER 32 HN SER 32 5.645 -0.436 -1.317 197 HA SER 32 HA SER 32 8.125 -1.894 -1.499 198 HB2 SER 32 HB2 SER 32 5.845 -1.413 -3.396 199 HB3 SER 32 HB1 SER 32 7.308 -2.257 -3.898 200 HG SER 32 HG SER 32 6.837 -3.578 -1.896 201 H ARG 33 HN ARG 33 9.992 -1.291 -2.291 202 HA ARG 33 HA ARG 33 10.215 1.305 -3.629 203 HB2 ARG 33 HB2 ARG 33 12.668 1.114 -3.086 204 HB3 ARG 33 HB1 ARG 33 11.606 1.243 -1.696 205 HG2 ARG 33 HG2 ARG 33 11.818 -1.150 -1.286 206 HG3 ARG 33 HG1 ARG 33 12.832 -1.318 -2.720 207 HD2 ARG 33 HD2 ARG 33 14.489 0.183 -1.712 208 HD3 ARG 33 HD1 ARG 33 13.477 0.330 -0.275 209 HE ARG 33 HE ARG 33 13.891 -2.363 -0.585 210 HH11 ARG 33 HH11 ARG 33 15.996 0.417 -0.165 211 HH12 ARG 33 HH12 ARG 33 17.233 -0.496 0.632 212 HH21 ARG 33 HH21 ARG 33 15.524 -3.538 0.460 213 HH22 ARG 33 HH22 ARG 33 16.965 -2.733 0.985 214 H ALA 34 HN ALA 34 10.828 -2.082 -4.016 215 HA ALA 34 HA ALA 34 12.107 -1.710 -6.615 216 HB1 ALA 34 HB1 ALA 34 11.623 -4.244 -5.059 217 HB2 ALA 34 HB2 ALA 34 13.120 -3.311 -5.064 218 HB3 ALA 34 HB3 ALA 34 12.567 -4.099 -6.542 219 H ASN 35 HN ASN 35 9.191 -2.946 -5.159 220 HA ASN 35 HA ASN 35 8.086 -3.715 -7.752 221 HB2 ASN 35 HB2 ASN 35 7.192 -4.199 -4.914 222 HB3 ASN 35 HB1 ASN 35 6.122 -4.498 -6.279 223 HD21 ASN 35 HD21 ASN 35 6.599 -6.164 -7.712 224 HD22 ASN 35 HD22 ASN 35 7.715 -7.421 -7.314 225 H GLY 36 HN GLY 36 8.013 -1.136 -5.506 226 HA2 GLY 36 HA2 GLY 36 7.153 1.003 -5.954 227 HA3 GLY 36 HA1 GLY 36 6.099 0.305 -7.171 228 H CYS 37 HN CYS 37 6.065 1.878 -4.337 229 HA CYS 37 HA CYS 37 3.943 0.406 -3.015 230 HB2 CYS 37 HB2 CYS 37 4.108 2.050 -1.259 231 HB3 CYS 37 HB1 CYS 37 5.752 1.682 -1.765 232 H GLN 38 HN GLN 38 2.106 2.238 -2.156 233 HA GLN 38 HA GLN 38 0.980 3.218 -4.700 234 HB2 GLN 38 HB2 GLN 38 -0.654 2.472 -2.277 235 HB3 GLN 38 HB1 GLN 38 -1.202 2.687 -3.933 236 HG2 GLN 38 HG2 GLN 38 0.696 0.503 -3.111 237 HG3 GLN 38 HG1 GLN 38 -1.054 0.313 -3.089 238 HE21 GLN 38 HE21 GLN 38 -1.087 -1.297 -4.619 239 HE22 GLN 38 HE22 GLN 38 -0.726 -1.024 -6.286 240 H SER 39 HN SER 39 0.695 3.814 -1.180 241 HA SER 39 HA SER 39 0.150 6.621 -1.674 242 HB2 SER 39 HB2 SER 39 0.011 4.751 0.603 243 HB3 SER 39 HB1 SER 39 0.310 6.438 1.008 244 HG SER 39 HG SER 39 -1.568 6.769 -0.549 245 H ASN 40 HN ASN 40 1.301 8.059 0.206 246 HA ASN 40 HA ASN 40 3.924 8.503 -0.698 247 HB2 ASN 40 HB2 ASN 40 2.171 10.059 0.498 248 HB3 ASN 40 HB1 ASN 40 2.999 9.526 1.957 249 HD21 ASN 40 HD21 ASN 40 5.140 10.124 2.296 250 HD22 ASN 40 HD22 ASN 40 5.887 11.407 1.411 251 H CYS 41 HN CYS 41 5.091 6.594 -0.480 252 HA CYS 41 HA CYS 41 5.665 5.655 2.224 253 HB2 CYS 41 HB2 CYS 41 6.646 3.678 1.172 254 HB3 CYS 41 HB1 CYS 41 5.039 3.958 0.521 255 H ARG 42 HN ARG 42 7.593 6.243 -0.676 256 HA ARG 42 HA ARG 42 9.802 7.149 1.041 257 HB2 ARG 42 HB2 ARG 42 11.255 6.689 -1.013 258 HB3 ARG 42 HB1 ARG 42 10.569 5.282 -0.219 259 HG2 ARG 42 HG2 ARG 42 8.818 5.189 -1.959 260 HG3 ARG 42 HG1 ARG 42 9.581 6.559 -2.767 261 HD2 ARG 42 HD2 ARG 42 11.624 5.261 -3.059 262 HD3 ARG 42 HD1 ARG 42 10.889 3.896 -2.218 263 HE ARG 42 HE ARG 42 9.207 4.509 -4.325 264 HH11 ARG 42 HH11 ARG 42 12.533 3.435 -3.977 265 HH12 ARG 42 HH12 ARG 42 12.544 2.602 -5.495 266 HH21 ARG 42 HH21 ARG 42 9.246 3.413 -6.309 267 HH22 ARG 42 HH22 ARG 42 10.684 2.590 -6.813 268 H GLY 43 HN GLY 43 7.484 8.277 -1.151 269 HA2 GLY 43 HA2 GLY 43 7.135 10.615 -1.471 270 HA3 GLY 43 HA1 GLY 43 8.867 10.866 -1.315 Start of MODEL 13 1 H1 GLN 1 HT1 GLN 1 -2.639 -0.751 10.338 2 H2 GLN 1 HT2 GLN 1 -3.321 -2.287 10.147 3 H3 GLN 1 HT3 GLN 1 -4.151 -1.096 11.016 4 HA GLN 1 HA GLN 1 -3.517 -0.993 8.125 5 HB2 GLN 1 HB2 GLN 1 -6.058 -1.626 9.625 6 HB3 GLN 1 HB1 GLN 1 -6.061 -1.116 7.944 7 HG2 GLN 1 HG2 GLN 1 -4.731 -3.047 7.328 8 HG3 GLN 1 HG1 GLN 1 -4.639 -3.544 9.017 9 HE21 GLN 1 HE21 GLN 1 -6.670 -3.274 6.210 10 HE22 GLN 1 HE22 GLN 1 -7.946 -4.287 6.783 11 H ASN 2 HN ASN 2 -3.871 0.903 7.126 12 HA ASN 2 HA ASN 2 -5.096 3.095 8.653 13 HB2 ASN 2 HB2 ASN 2 -2.350 2.929 7.652 14 HB3 ASN 2 HB1 ASN 2 -3.189 4.364 7.073 15 HD21 ASN 2 HD21 ASN 2 -3.791 5.946 8.516 16 HD22 ASN 2 HD22 ASN 2 -3.232 5.989 10.150 17 H CYS 3 HN CYS 3 -4.658 1.482 5.636 18 HA CYS 3 HA CYS 3 -6.845 2.784 4.388 19 HB2 CYS 3 HB2 CYS 3 -5.632 4.667 3.874 20 HB3 CYS 3 HB1 CYS 3 -4.103 3.815 3.904 21 H GLY 4 HN GLY 4 -6.753 2.261 1.868 22 HA2 GLY 4 HA2 GLY 4 -5.492 0.512 0.432 23 HA3 GLY 4 HA1 GLY 4 -6.083 -0.588 1.660 24 H ARG 5 HN ARG 5 -8.040 -1.468 1.401 25 HA ARG 5 HA ARG 5 -9.926 -0.246 -0.500 26 HB2 ARG 5 HB2 ARG 5 -9.357 -3.212 -0.346 27 HB3 ARG 5 HB1 ARG 5 -10.459 -2.411 -1.455 28 HG2 ARG 5 HG2 ARG 5 -8.439 -1.185 -2.354 29 HG3 ARG 5 HG1 ARG 5 -7.464 -2.322 -1.423 30 HD2 ARG 5 HD2 ARG 5 -8.471 -4.190 -2.620 31 HD3 ARG 5 HD1 ARG 5 -9.492 -3.075 -3.527 32 HE ARG 5 HE ARG 5 -6.814 -2.342 -3.906 33 HH11 ARG 5 HH11 ARG 5 -8.976 -4.968 -4.785 34 HH12 ARG 5 HH12 ARG 5 -8.111 -5.343 -6.239 35 HH21 ARG 5 HH21 ARG 5 -5.701 -2.852 -5.812 36 HH22 ARG 5 HH22 ARG 5 -6.260 -4.146 -6.818 37 H GLN 6 HN GLN 6 -9.300 -1.889 2.409 38 HA GLN 6 HA GLN 6 -12.047 -2.645 2.963 39 HB2 GLN 6 HB2 GLN 6 -9.496 -2.888 4.542 40 HB3 GLN 6 HB1 GLN 6 -11.063 -3.311 5.219 41 HG2 GLN 6 HG2 GLN 6 -11.372 -4.981 3.463 42 HG3 GLN 6 HG1 GLN 6 -9.802 -4.554 2.782 43 HE21 GLN 6 HE21 GLN 6 -7.926 -5.145 3.877 44 HE22 GLN 6 HE22 GLN 6 -7.928 -6.346 5.117 45 H ALA 7 HN ALA 7 -9.896 -0.045 3.744 46 HA ALA 7 HA ALA 7 -11.577 1.011 5.868 47 HB1 ALA 7 HB1 ALA 7 -9.087 2.161 4.610 48 HB2 ALA 7 HB2 ALA 7 -9.134 1.141 6.049 49 HB3 ALA 7 HB3 ALA 7 -9.876 2.742 6.077 50 H GLY 8 HN GLY 8 -12.179 0.881 2.778 51 HA2 GLY 8 HA2 GLY 8 -13.827 2.100 1.619 52 HA3 GLY 8 HA1 GLY 8 -13.540 3.467 2.688 53 H ASN 9 HN ASN 9 -10.808 1.889 1.324 54 HA ASN 9 HA ASN 9 -9.128 2.538 -0.026 55 HB2 ASN 9 HB2 ASN 9 -11.463 3.477 -1.710 56 HB3 ASN 9 HB1 ASN 9 -9.798 3.491 -2.282 57 HD21 ASN 9 HD21 ASN 9 -12.510 1.517 -1.384 58 HD22 ASN 9 HD22 ASN 9 -11.916 0.039 -2.054 59 H ARG 10 HN ARG 10 -8.539 3.995 1.716 60 HA ARG 10 HA ARG 10 -8.899 6.852 1.170 61 HB2 ARG 10 HB2 ARG 10 -7.927 5.285 3.560 62 HB3 ARG 10 HB1 ARG 10 -7.695 7.023 3.451 63 HG2 ARG 10 HG2 ARG 10 -10.119 7.331 3.273 64 HG3 ARG 10 HG1 ARG 10 -10.342 5.585 3.405 65 HD2 ARG 10 HD2 ARG 10 -9.305 5.620 5.619 66 HD3 ARG 10 HD1 ARG 10 -9.073 7.363 5.486 67 HE ARG 10 HE ARG 10 -11.797 6.741 5.117 68 HH11 ARG 10 HH11 ARG 10 -9.401 6.857 7.683 69 HH12 ARG 10 HH12 ARG 10 -10.574 7.159 8.920 70 HH21 ARG 10 HH21 ARG 10 -12.787 7.317 8.394 71 HH22 ARG 10 HH22 ARG 10 -13.314 7.136 6.753 72 H ALA 11 HN ALA 11 -6.414 7.639 2.501 73 HA ALA 11 HA ALA 11 -4.289 6.534 0.826 74 HB1 ALA 11 HB1 ALA 11 -4.895 9.488 0.925 75 HB2 ALA 11 HB2 ALA 11 -5.168 8.426 -0.457 76 HB3 ALA 11 HB3 ALA 11 -3.525 8.735 0.107 77 H CYS 12 HN CYS 12 -2.296 6.520 1.814 78 HA CYS 12 HA CYS 12 -2.243 7.547 4.573 79 HB2 CYS 12 HB2 CYS 12 -0.666 5.382 3.189 80 HB3 CYS 12 HB1 CYS 12 -0.214 6.013 4.769 81 H ALA 13 HN ALA 13 -1.252 9.393 4.921 82 HA ALA 13 HA ALA 13 1.236 10.017 3.493 83 HB1 ALA 13 HB1 ALA 13 -0.932 12.068 3.872 84 HB2 ALA 13 HB2 ALA 13 -0.716 11.143 2.388 85 HB3 ALA 13 HB3 ALA 13 0.560 12.226 2.943 86 H ASN 14 HN ASN 14 0.379 9.206 6.321 87 HA ASN 14 HA ASN 14 1.193 11.526 7.874 88 HB2 ASN 14 HB2 ASN 14 0.154 8.813 8.676 89 HB3 ASN 14 HB1 ASN 14 0.732 9.996 9.846 90 HD21 ASN 14 HD21 ASN 14 -1.750 9.202 7.551 91 HD22 ASN 14 HD22 ASN 14 -2.887 10.397 8.061 92 H GLN 15 HN GLN 15 2.094 8.183 8.522 93 HA GLN 15 HA GLN 15 4.935 8.904 8.324 94 HB2 GLN 15 HB2 GLN 15 3.582 7.514 10.633 95 HB3 GLN 15 HB1 GLN 15 5.317 7.440 10.370 96 HG2 GLN 15 HG2 GLN 15 5.302 9.196 11.786 97 HG3 GLN 15 HG1 GLN 15 4.985 10.097 10.306 98 HE21 GLN 15 HE21 GLN 15 3.604 8.793 13.223 99 HE22 GLN 15 HE22 GLN 15 2.148 9.721 13.189 100 H LEU 16 HN LEU 16 2.460 6.493 8.123 101 HA LEU 16 HA LEU 16 4.379 4.488 7.187 102 HB2 LEU 16 HB2 LEU 16 2.362 2.916 7.331 103 HB3 LEU 16 HB1 LEU 16 3.035 3.489 8.840 104 HG LEU 16 HG LEU 16 0.632 4.823 7.620 105 HD11 LEU 16 HD11 LEU 16 0.044 2.493 7.730 106 HD12 LEU 16 HD12 LEU 16 -0.751 3.351 9.052 107 HD13 LEU 16 HD13 LEU 16 0.678 2.375 9.372 108 HD21 LEU 16 HD21 LEU 16 1.536 4.495 10.486 109 HD22 LEU 16 HD22 LEU 16 0.143 5.421 9.929 110 HD23 LEU 16 HD23 LEU 16 1.773 5.942 9.508 111 H CYS 17 HN CYS 17 2.648 2.935 5.540 112 HA CYS 17 HA CYS 17 1.841 4.767 3.430 113 HB2 CYS 17 HB2 CYS 17 3.457 2.521 2.428 114 HB3 CYS 17 HB1 CYS 17 3.374 4.180 1.868 115 H CYS 18 HN CYS 18 0.335 4.181 2.122 116 HA CYS 18 HA CYS 18 -1.009 1.633 2.601 117 HB2 CYS 18 HB2 CYS 18 -2.308 3.642 2.918 118 HB3 CYS 18 HB1 CYS 18 -1.913 4.193 1.302 119 H SER 19 HN SER 19 -1.871 0.405 0.966 120 HA SER 19 HA SER 19 -0.989 0.836 -1.786 121 HB2 SER 19 HB2 SER 19 -0.563 -1.672 -1.955 122 HB3 SER 19 HB1 SER 19 0.622 -0.777 -1.006 123 HG SER 19 HG SER 19 0.133 -2.054 0.574 124 H GLN 20 HN GLN 20 -2.357 -0.154 -3.375 125 HA GLN 20 HA GLN 20 -5.114 -0.193 -2.639 126 HB2 GLN 20 HB2 GLN 20 -3.681 -0.780 -5.227 127 HB3 GLN 20 HB1 GLN 20 -5.427 -0.915 -5.074 128 HG2 GLN 20 HG2 GLN 20 -5.554 1.445 -4.448 129 HG3 GLN 20 HG1 GLN 20 -3.803 1.577 -4.607 130 HE21 GLN 20 HE21 GLN 20 -2.872 1.524 -6.655 131 HE22 GLN 20 HE22 GLN 20 -3.798 1.781 -8.090 132 H TYR 21 HN TYR 21 -5.177 -1.829 -1.070 133 HA TYR 21 HA TYR 21 -5.908 -4.414 -2.043 134 HB2 TYR 21 HB2 TYR 21 -3.651 -5.055 -2.021 135 HB3 TYR 21 HB1 TYR 21 -3.275 -4.039 -0.641 136 HD1 TYR 21 HD1 TYR 21 -3.361 -4.901 1.572 137 HD2 TYR 21 HD2 TYR 21 -4.848 -7.226 -1.658 138 HE1 TYR 21 HE1 TYR 21 -3.494 -6.866 3.051 139 HE2 TYR 21 HE2 TYR 21 -4.988 -9.195 -0.194 140 HH TYR 21 HH TYR 21 -4.707 -8.990 3.186 141 H GLY 22 HN GLY 22 -4.824 -2.723 0.843 142 HA2 GLY 22 HA2 GLY 22 -6.910 -2.207 2.337 143 HA3 GLY 22 HA1 GLY 22 -6.948 -3.956 2.440 144 H PHE 23 HN PHE 23 -3.808 -2.625 2.154 145 HA PHE 23 HA PHE 23 -3.441 -2.734 5.056 146 HB2 PHE 23 HB2 PHE 23 -2.638 -4.798 3.601 147 HB3 PHE 23 HB1 PHE 23 -1.241 -3.768 3.337 148 HD1 PHE 23 HD1 PHE 23 -1.760 -6.517 4.876 149 HD2 PHE 23 HD2 PHE 23 -1.054 -2.489 6.077 150 HE1 PHE 23 HE1 PHE 23 -0.840 -7.314 7.012 151 HE2 PHE 23 HE2 PHE 23 -0.135 -3.286 8.214 152 HZ PHE 23 HZ PHE 23 -0.025 -5.700 8.683 153 H CYS 24 HN CYS 24 -2.476 -1.044 5.875 154 HA CYS 24 HA CYS 24 -0.474 0.423 4.316 155 HB2 CYS 24 HB2 CYS 24 -2.478 1.789 4.327 156 HB3 CYS 24 HB1 CYS 24 -2.660 1.576 6.059 157 H GLY 25 HN GLY 25 1.428 0.637 5.336 158 HA2 GLY 25 HA2 GLY 25 1.746 0.881 8.145 159 HA3 GLY 25 HA1 GLY 25 2.081 -0.763 7.636 160 H SER 26 HN SER 26 4.255 -0.820 7.991 161 HA SER 26 HA SER 26 5.896 1.046 6.401 162 HB2 SER 26 HB2 SER 26 6.427 -0.050 9.157 163 HB3 SER 26 HB1 SER 26 7.636 0.792 8.187 164 HG SER 26 HG SER 26 6.100 2.574 8.126 165 H THR 27 HN THR 27 5.205 -2.209 7.188 166 HA THR 27 HA THR 27 7.658 -3.455 6.640 167 HB THR 27 HB THR 27 5.019 -4.766 6.086 168 HG1 THR 27 HG1 THR 27 4.493 -4.206 8.062 169 HG21 THR 27 HG21 THR 27 7.035 -6.107 5.672 170 HG22 THR 27 HG22 THR 27 6.126 -6.744 7.044 171 HG23 THR 27 HG23 THR 27 7.585 -5.791 7.319 172 H SER 28 HN SER 28 8.182 -4.852 4.813 173 HA SER 28 HA SER 28 7.952 -3.422 2.331 174 HB2 SER 28 HB2 SER 28 10.065 -4.455 3.153 175 HB3 SER 28 HB1 SER 28 9.347 -6.041 2.880 176 HG SER 28 HG SER 28 8.999 -5.119 0.635 177 H GLU 29 HN GLU 29 5.566 -3.825 2.433 178 HA GLU 29 HA GLU 29 4.869 -5.851 0.493 179 HB2 GLU 29 HB2 GLU 29 3.669 -5.832 3.271 180 HB3 GLU 29 HB1 GLU 29 2.826 -6.531 1.899 181 HG2 GLU 29 HG2 GLU 29 5.585 -7.425 2.661 182 HG3 GLU 29 HG1 GLU 29 4.148 -8.093 3.433 183 H TYR 30 HN TYR 30 3.890 -3.338 2.684 184 HA TYR 30 HA TYR 30 1.915 -2.309 0.796 185 HB2 TYR 30 HB2 TYR 30 1.934 -0.740 3.152 186 HB3 TYR 30 HB1 TYR 30 0.698 -1.877 2.632 187 HD1 TYR 30 HD1 TYR 30 1.067 -4.373 3.305 188 HD2 TYR 30 HD2 TYR 30 3.133 -1.129 5.132 189 HE1 TYR 30 HE1 TYR 30 1.535 -5.782 5.257 190 HE2 TYR 30 HE2 TYR 30 3.598 -2.535 7.089 191 HH TYR 30 HH TYR 30 3.160 -5.897 7.093 192 H CYS 31 HN CYS 31 4.988 -1.612 2.224 193 HA CYS 31 HA CYS 31 5.094 0.906 0.718 194 HB2 CYS 31 HB2 CYS 31 4.932 1.085 3.301 195 HB3 CYS 31 HB1 CYS 31 6.608 0.556 3.285 196 H SER 32 HN SER 32 6.034 -0.353 -0.984 197 HA SER 32 HA SER 32 8.938 -0.501 -0.702 198 HB2 SER 32 HB2 SER 32 8.927 -2.743 -1.966 199 HB3 SER 32 HB1 SER 32 8.470 -2.801 -0.265 200 HG SER 32 HG SER 32 6.675 -3.650 -0.906 201 H ARG 33 HN ARG 33 10.015 0.077 -2.521 202 HA ARG 33 HA ARG 33 8.452 1.251 -4.641 203 HB2 ARG 33 HB2 ARG 33 10.533 2.250 -3.552 204 HB3 ARG 33 HB1 ARG 33 11.467 1.083 -4.472 205 HG2 ARG 33 HG2 ARG 33 11.618 2.945 -5.811 206 HG3 ARG 33 HG1 ARG 33 10.225 2.132 -6.523 207 HD2 ARG 33 HD2 ARG 33 8.729 3.573 -5.217 208 HD3 ARG 33 HD1 ARG 33 10.128 4.387 -4.518 209 HE ARG 33 HE ARG 33 9.750 4.408 -7.428 210 HH11 ARG 33 HH11 ARG 33 9.873 6.192 -4.405 211 HH12 ARG 33 HH12 ARG 33 9.935 7.736 -5.187 212 HH21 ARG 33 HH21 ARG 33 9.834 6.441 -8.428 213 HH22 ARG 33 HH22 ARG 33 9.913 7.876 -7.462 214 H ALA 34 HN ALA 34 9.107 -1.839 -4.194 215 HA ALA 34 HA ALA 34 9.773 -2.409 -7.003 216 HB1 ALA 34 HB1 ALA 34 10.584 -4.580 -6.276 217 HB2 ALA 34 HB2 ALA 34 10.126 -4.209 -4.615 218 HB3 ALA 34 HB3 ALA 34 11.406 -3.287 -5.403 219 H ASN 35 HN ASN 35 7.456 -2.883 -4.470 220 HA ASN 35 HA ASN 35 5.612 -4.135 -6.360 221 HB2 ASN 35 HB2 ASN 35 6.386 -5.302 -3.694 222 HB3 ASN 35 HB1 ASN 35 4.881 -5.725 -4.501 223 HD21 ASN 35 HD21 ASN 35 8.342 -5.967 -4.572 224 HD22 ASN 35 HD22 ASN 35 8.436 -7.212 -5.766 225 H GLY 36 HN GLY 36 6.151 -2.455 -3.361 226 HA2 GLY 36 HA2 GLY 36 3.299 -2.006 -2.926 227 HA3 GLY 36 HA1 GLY 36 4.597 -1.568 -1.830 228 H CYS 37 HN CYS 37 4.561 0.509 -1.502 229 HA CYS 37 HA CYS 37 4.044 2.728 -1.740 230 HB2 CYS 37 HB2 CYS 37 6.244 2.065 -3.622 231 HB3 CYS 37 HB1 CYS 37 5.576 3.692 -3.672 232 H GLN 38 HN GLN 38 1.929 2.914 -2.286 233 HA GLN 38 HA GLN 38 1.413 3.484 -5.129 234 HB2 GLN 38 HB2 GLN 38 -0.612 2.312 -3.217 235 HB3 GLN 38 HB1 GLN 38 -0.808 2.566 -4.944 236 HG2 GLN 38 HG2 GLN 38 1.445 0.972 -4.794 237 HG3 GLN 38 HG1 GLN 38 0.408 0.328 -3.525 238 HE21 GLN 38 HE21 GLN 38 -1.512 -0.666 -4.071 239 HE22 GLN 38 HE22 GLN 38 -1.913 -1.101 -5.694 240 H SER 39 HN SER 39 0.400 4.087 -1.766 241 HA SER 39 HA SER 39 -0.752 6.655 -2.481 242 HB2 SER 39 HB2 SER 39 -1.690 5.055 -0.739 243 HB3 SER 39 HB1 SER 39 -0.315 5.490 0.276 244 HG SER 39 HG SER 39 -1.448 7.154 0.852 245 H ASN 40 HN ASN 40 0.105 7.994 -0.001 246 HA ASN 40 HA ASN 40 2.623 9.035 -0.930 247 HB2 ASN 40 HB2 ASN 40 0.722 9.723 1.281 248 HB3 ASN 40 HB1 ASN 40 2.339 10.420 1.269 249 HD21 ASN 40 HD21 ASN 40 2.907 11.859 -0.366 250 HD22 ASN 40 HD22 ASN 40 1.723 12.630 -1.360 251 H CYS 41 HN CYS 41 3.954 7.183 -0.729 252 HA CYS 41 HA CYS 41 4.524 6.199 1.960 253 HB2 CYS 41 HB2 CYS 41 5.705 4.392 0.921 254 HB3 CYS 41 HB1 CYS 41 4.245 4.636 -0.029 255 H ARG 42 HN ARG 42 6.573 6.185 2.897 256 HA ARG 42 HA ARG 42 8.515 7.098 3.629 257 HB2 ARG 42 HB2 ARG 42 9.052 7.179 0.655 258 HB3 ARG 42 HB1 ARG 42 10.276 7.521 1.870 259 HG2 ARG 42 HG2 ARG 42 10.324 5.317 2.621 260 HG3 ARG 42 HG1 ARG 42 8.751 4.943 1.920 261 HD2 ARG 42 HD2 ARG 42 11.213 5.573 0.298 262 HD3 ARG 42 HD1 ARG 42 10.702 3.939 0.715 263 HE ARG 42 HE ARG 42 8.628 4.428 -0.551 264 HH11 ARG 42 HH11 ARG 42 11.503 6.319 -1.267 265 HH12 ARG 42 HH12 ARG 42 10.987 6.702 -2.875 266 HH21 ARG 42 HH21 ARG 42 7.973 4.951 -2.653 267 HH22 ARG 42 HH22 ARG 42 8.991 5.929 -3.657 268 H GLY 43 HN GLY 43 6.249 8.954 3.074 269 HA2 GLY 43 HA2 GLY 43 7.742 11.426 3.424 270 HA3 GLY 43 HA1 GLY 43 6.688 11.371 2.020 Start of MODEL 14 1 H1 GLN 1 HT1 GLN 1 -4.390 -1.810 10.501 2 H2 GLN 1 HT2 GLN 1 -5.415 -0.576 11.037 3 H3 GLN 1 HT3 GLN 1 -3.769 -0.265 10.805 4 HA GLN 1 HA GLN 1 -3.980 -0.623 8.448 5 HB2 GLN 1 HB2 GLN 1 -6.851 -1.180 9.193 6 HB3 GLN 1 HB1 GLN 1 -6.375 -0.743 7.557 7 HG2 GLN 1 HG2 GLN 1 -4.996 -2.698 7.376 8 HG3 GLN 1 HG1 GLN 1 -5.281 -3.103 9.067 9 HE21 GLN 1 HE21 GLN 1 -7.272 -3.943 9.681 10 HE22 GLN 1 HE22 GLN 1 -8.393 -4.585 8.535 11 H ASN 2 HN ASN 2 -3.887 1.245 7.385 12 HA ASN 2 HA ASN 2 -5.272 3.567 8.542 13 HB2 ASN 2 HB2 ASN 2 -2.539 3.191 7.530 14 HB3 ASN 2 HB1 ASN 2 -3.325 4.631 6.898 15 HD21 ASN 2 HD21 ASN 2 -2.298 2.970 9.801 16 HD22 ASN 2 HD22 ASN 2 -2.288 4.362 10.825 17 H CYS 3 HN CYS 3 -4.762 1.727 5.649 18 HA CYS 3 HA CYS 3 -6.939 2.972 4.284 19 HB2 CYS 3 HB2 CYS 3 -5.580 4.753 3.700 20 HB3 CYS 3 HB1 CYS 3 -4.131 3.770 3.675 21 H GLY 4 HN GLY 4 -6.754 2.271 1.786 22 HA2 GLY 4 HA2 GLY 4 -5.623 0.324 0.527 23 HA3 GLY 4 HA1 GLY 4 -6.307 -0.632 1.826 24 H ARG 5 HN ARG 5 -7.779 -1.832 0.686 25 HA ARG 5 HA ARG 5 -9.803 -0.319 -0.807 26 HB2 ARG 5 HB2 ARG 5 -10.297 -2.391 -2.069 27 HB3 ARG 5 HB1 ARG 5 -8.620 -1.907 -2.246 28 HG2 ARG 5 HG2 ARG 5 -7.946 -3.629 -0.654 29 HG3 ARG 5 HG1 ARG 5 -9.633 -4.098 -0.440 30 HD2 ARG 5 HD2 ARG 5 -9.767 -4.689 -2.810 31 HD3 ARG 5 HD1 ARG 5 -8.084 -4.214 -3.027 32 HE ARG 5 HE ARG 5 -8.201 -6.130 -0.991 33 HH11 ARG 5 HH11 ARG 5 -8.704 -5.960 -4.463 34 HH12 ARG 5 HH12 ARG 5 -8.270 -7.616 -4.722 35 HH21 ARG 5 HH21 ARG 5 -7.639 -8.295 -1.354 36 HH22 ARG 5 HH22 ARG 5 -7.668 -8.937 -2.963 37 H GLN 6 HN GLN 6 -9.415 -1.456 2.151 38 HA GLN 6 HA GLN 6 -12.140 -2.535 2.438 39 HB2 GLN 6 HB2 GLN 6 -9.684 -2.898 4.146 40 HB3 GLN 6 HB1 GLN 6 -11.291 -3.356 4.687 41 HG2 GLN 6 HG2 GLN 6 -11.474 -4.899 2.786 42 HG3 GLN 6 HG1 GLN 6 -9.840 -4.459 2.291 43 HE21 GLN 6 HE21 GLN 6 -11.775 -6.147 4.630 44 HE22 GLN 6 HE22 GLN 6 -10.486 -7.039 5.356 45 H ALA 7 HN ALA 7 -9.981 -0.015 3.409 46 HA ALA 7 HA ALA 7 -11.658 0.966 5.561 47 HB1 ALA 7 HB1 ALA 7 -9.971 2.708 5.802 48 HB2 ALA 7 HB2 ALA 7 -9.198 2.183 4.306 49 HB3 ALA 7 HB3 ALA 7 -9.216 1.117 5.710 50 H GLY 8 HN GLY 8 -12.150 1.016 2.385 51 HA2 GLY 8 HA2 GLY 8 -13.860 2.246 1.311 52 HA3 GLY 8 HA1 GLY 8 -13.626 3.546 2.470 53 H ASN 9 HN ASN 9 -10.862 2.111 0.972 54 HA ASN 9 HA ASN 9 -9.198 2.902 -0.327 55 HB2 ASN 9 HB2 ASN 9 -11.564 3.927 -1.912 56 HB3 ASN 9 HB1 ASN 9 -9.903 4.014 -2.494 57 HD21 ASN 9 HD21 ASN 9 -12.572 1.927 -1.731 58 HD22 ASN 9 HD22 ASN 9 -11.959 0.518 -2.520 59 H ARG 10 HN ARG 10 -8.642 4.216 1.535 60 HA ARG 10 HA ARG 10 -8.947 7.107 1.123 61 HB2 ARG 10 HB2 ARG 10 -8.105 5.432 3.496 62 HB3 ARG 10 HB1 ARG 10 -7.872 7.174 3.461 63 HG2 ARG 10 HG2 ARG 10 -10.282 7.491 3.196 64 HG3 ARG 10 HG1 ARG 10 -10.514 5.743 3.238 65 HD2 ARG 10 HD2 ARG 10 -9.576 5.674 5.496 66 HD3 ARG 10 HD1 ARG 10 -9.338 7.421 5.452 67 HE ARG 10 HE ARG 10 -12.031 6.909 4.930 68 HH11 ARG 10 HH11 ARG 10 -9.797 6.576 7.618 69 HH12 ARG 10 HH12 ARG 10 -11.034 6.755 8.818 70 HH21 ARG 10 HH21 ARG 10 -13.203 7.073 8.193 71 HH22 ARG 10 HH22 ARG 10 -13.633 7.142 6.517 72 H ALA 11 HN ALA 11 -6.520 7.825 2.547 73 HA ALA 11 HA ALA 11 -4.357 6.663 0.963 74 HB1 ALA 11 HB1 ALA 11 -3.506 8.840 0.268 75 HB2 ALA 11 HB2 ALA 11 -4.885 9.634 1.029 76 HB3 ALA 11 HB3 ALA 11 -5.133 8.572 -0.358 77 H CYS 12 HN CYS 12 -2.373 6.688 1.969 78 HA CYS 12 HA CYS 12 -2.393 7.588 4.761 79 HB2 CYS 12 HB2 CYS 12 -0.548 5.673 3.318 80 HB3 CYS 12 HB1 CYS 12 -0.412 6.107 5.019 81 H ALA 13 HN ALA 13 -1.612 9.526 5.120 82 HA ALA 13 HA ALA 13 0.876 10.363 3.796 83 HB1 ALA 13 HB1 ALA 13 -1.531 12.129 4.198 84 HB2 ALA 13 HB2 ALA 13 -0.999 11.448 2.661 85 HB3 ALA 13 HB3 ALA 13 0.016 12.617 3.505 86 H ASN 14 HN ASN 14 0.058 9.330 6.555 87 HA ASN 14 HA ASN 14 0.713 11.594 8.255 88 HB2 ASN 14 HB2 ASN 14 -0.185 8.789 8.876 89 HB3 ASN 14 HB1 ASN 14 0.320 9.922 10.125 90 HD21 ASN 14 HD21 ASN 14 -2.095 9.154 7.752 91 HD22 ASN 14 HD22 ASN 14 -3.301 10.251 8.326 92 H GLN 15 HN GLN 15 1.828 8.233 8.334 93 HA GLN 15 HA GLN 15 4.615 9.089 8.305 94 HB2 GLN 15 HB2 GLN 15 3.331 7.658 10.622 95 HB3 GLN 15 HB1 GLN 15 5.057 7.545 10.313 96 HG2 GLN 15 HG2 GLN 15 5.262 9.966 10.534 97 HG3 GLN 15 HG1 GLN 15 3.528 10.088 10.830 98 HE21 GLN 15 HE21 GLN 15 2.688 9.372 12.789 99 HE22 GLN 15 HE22 GLN 15 3.688 9.087 14.168 100 H LEU 16 HN LEU 16 2.211 6.654 7.909 101 HA LEU 16 HA LEU 16 4.233 4.743 6.969 102 HB2 LEU 16 HB2 LEU 16 2.345 3.033 7.153 103 HB3 LEU 16 HB1 LEU 16 3.004 3.646 8.650 104 HG LEU 16 HG LEU 16 0.472 4.786 7.486 105 HD11 LEU 16 HD11 LEU 16 0.121 2.395 7.636 106 HD12 LEU 16 HD12 LEU 16 -0.766 3.219 8.919 107 HD13 LEU 16 HD13 LEU 16 0.742 2.387 9.288 108 HD21 LEU 16 HD21 LEU 16 1.544 4.595 10.307 109 HD22 LEU 16 HD22 LEU 16 -0.006 5.297 9.847 110 HD23 LEU 16 HD23 LEU 16 1.494 6.049 9.310 111 H CYS 17 HN CYS 17 2.599 3.101 5.357 112 HA CYS 17 HA CYS 17 1.654 4.885 3.251 113 HB2 CYS 17 HB2 CYS 17 3.152 2.799 1.987 114 HB3 CYS 17 HB1 CYS 17 3.389 4.539 1.878 115 H CYS 18 HN CYS 18 0.141 4.196 1.960 116 HA CYS 18 HA CYS 18 -1.308 1.796 2.673 117 HB2 CYS 18 HB2 CYS 18 -2.466 3.958 2.429 118 HB3 CYS 18 HB1 CYS 18 -1.995 4.005 0.741 119 H SER 19 HN SER 19 -2.099 0.313 1.233 120 HA SER 19 HA SER 19 -0.851 0.132 -1.416 121 HB2 SER 19 HB2 SER 19 0.055 -1.398 0.473 122 HB3 SER 19 HB1 SER 19 -1.439 -2.296 0.218 123 HG SER 19 HG SER 19 -0.327 -3.217 -1.311 124 H GLN 20 HN GLN 20 -2.092 -1.206 -2.959 125 HA GLN 20 HA GLN 20 -4.958 -0.890 -2.593 126 HB2 GLN 20 HB2 GLN 20 -3.525 -0.461 -4.763 127 HB3 GLN 20 HB1 GLN 20 -3.728 -2.189 -5.006 128 HG2 GLN 20 HG2 GLN 20 -6.155 -1.912 -4.967 129 HG3 GLN 20 HG1 GLN 20 -5.952 -0.179 -4.719 130 HE21 GLN 20 HE21 GLN 20 -5.226 1.103 -6.415 131 HE22 GLN 20 HE22 GLN 20 -5.239 0.555 -8.053 132 H TYR 21 HN TYR 21 -5.150 -2.383 -0.859 133 HA TYR 21 HA TYR 21 -5.901 -5.025 -1.561 134 HB2 TYR 21 HB2 TYR 21 -3.589 -5.626 -1.609 135 HB3 TYR 21 HB1 TYR 21 -3.229 -4.659 -0.190 136 HD1 TYR 21 HD1 TYR 21 -4.561 -7.841 -1.393 137 HD2 TYR 21 HD2 TYR 21 -3.625 -5.541 2.054 138 HE1 TYR 21 HE1 TYR 21 -4.747 -9.864 -0.009 139 HE2 TYR 21 HE2 TYR 21 -3.805 -7.557 3.453 140 HH TYR 21 HH TYR 21 -4.899 -9.761 3.375 141 H GLY 22 HN GLY 22 -4.791 -2.895 0.972 142 HA2 GLY 22 HA2 GLY 22 -6.651 -2.272 2.596 143 HA3 GLY 22 HA1 GLY 22 -6.792 -4.004 2.832 144 H PHE 23 HN PHE 23 -3.628 -2.762 2.259 145 HA PHE 23 HA PHE 23 -3.046 -2.947 5.121 146 HB2 PHE 23 HB2 PHE 23 -2.244 -4.855 3.456 147 HB3 PHE 23 HB1 PHE 23 -0.923 -3.732 3.194 148 HD1 PHE 23 HD1 PHE 23 -0.857 -2.686 6.130 149 HD2 PHE 23 HD2 PHE 23 -0.967 -6.586 4.415 150 HE1 PHE 23 HE1 PHE 23 0.239 -3.596 8.134 151 HE2 PHE 23 HE2 PHE 23 0.127 -7.497 6.420 152 HZ PHE 23 HZ PHE 23 0.731 -6.004 8.282 153 H CYS 24 HN CYS 24 -2.478 -0.996 5.842 154 HA CYS 24 HA CYS 24 -0.506 0.541 4.301 155 HB2 CYS 24 HB2 CYS 24 -2.624 1.765 4.470 156 HB3 CYS 24 HB1 CYS 24 -2.614 1.565 6.215 157 H GLY 25 HN GLY 25 1.445 0.588 5.194 158 HA2 GLY 25 HA2 GLY 25 1.845 0.871 8.028 159 HA3 GLY 25 HA1 GLY 25 2.283 -0.720 7.432 160 H SER 26 HN SER 26 4.467 -0.546 7.806 161 HA SER 26 HA SER 26 5.899 1.444 6.165 162 HB2 SER 26 HB2 SER 26 6.603 0.415 8.910 163 HB3 SER 26 HB1 SER 26 7.686 1.382 7.910 164 HG SER 26 HG SER 26 6.705 2.979 8.889 165 H THR 27 HN THR 27 5.542 -1.846 7.045 166 HA THR 27 HA THR 27 8.049 -2.918 6.471 167 HB THR 27 HB THR 27 5.512 -4.397 5.870 168 HG1 THR 27 HG1 THR 27 4.950 -4.336 7.915 169 HG21 THR 27 HG21 THR 27 6.730 -6.299 6.848 170 HG22 THR 27 HG22 THR 27 8.116 -5.251 7.150 171 HG23 THR 27 HG23 THR 27 7.618 -5.600 5.494 172 H SER 28 HN SER 28 8.690 -4.264 4.639 173 HA SER 28 HA SER 28 8.331 -2.844 2.156 174 HB2 SER 28 HB2 SER 28 10.550 -3.616 2.962 175 HB3 SER 28 HB1 SER 28 10.020 -5.280 2.728 176 HG SER 28 HG SER 28 9.508 -4.176 0.469 177 H GLU 29 HN GLU 29 6.036 -3.463 2.194 178 HA GLU 29 HA GLU 29 5.547 -5.572 0.283 179 HB2 GLU 29 HB2 GLU 29 4.300 -5.612 3.044 180 HB3 GLU 29 HB1 GLU 29 3.537 -6.393 1.668 181 HG2 GLU 29 HG2 GLU 29 6.346 -7.057 2.484 182 HG3 GLU 29 HG1 GLU 29 4.955 -7.825 3.245 183 H TYR 30 HN TYR 30 4.305 -3.144 2.449 184 HA TYR 30 HA TYR 30 2.309 -2.284 0.529 185 HB2 TYR 30 HB2 TYR 30 2.332 -0.585 2.821 186 HB3 TYR 30 HB1 TYR 30 1.095 -1.739 2.352 187 HD1 TYR 30 HD1 TYR 30 3.468 -0.881 4.835 188 HD2 TYR 30 HD2 TYR 30 1.547 -4.235 3.052 189 HE1 TYR 30 HE1 TYR 30 3.962 -2.229 6.829 190 HE2 TYR 30 HE2 TYR 30 2.042 -5.587 5.040 191 HH TYR 30 HH TYR 30 3.109 -4.234 7.960 192 H CYS 31 HN CYS 31 5.237 -1.234 2.069 193 HA CYS 31 HA CYS 31 5.230 1.235 0.497 194 HB2 CYS 31 HB2 CYS 31 7.149 0.525 2.718 195 HB3 CYS 31 HB1 CYS 31 6.867 2.110 2.010 196 H SER 32 HN SER 32 5.523 -0.490 -1.263 197 HA SER 32 HA SER 32 8.063 -1.779 -1.510 198 HB2 SER 32 HB2 SER 32 5.765 -1.327 -3.392 199 HB3 SER 32 HB1 SER 32 7.258 -2.093 -3.930 200 HG SER 32 HG SER 32 5.853 -3.691 -3.257 201 H ARG 33 HN ARG 33 9.926 -0.987 -2.102 202 HA ARG 33 HA ARG 33 10.047 1.593 -3.481 203 HB2 ARG 33 HB2 ARG 33 12.483 1.555 -2.816 204 HB3 ARG 33 HB1 ARG 33 11.341 1.647 -1.488 205 HG2 ARG 33 HG2 ARG 33 11.655 -0.750 -1.057 206 HG3 ARG 33 HG1 ARG 33 12.809 -0.831 -2.389 207 HD2 ARG 33 HD2 ARG 33 14.252 0.775 -1.236 208 HD3 ARG 33 HD1 ARG 33 13.095 0.864 0.092 209 HE ARG 33 HE ARG 33 13.814 -1.816 -0.265 210 HH11 ARG 33 HH11 ARG 33 15.314 1.175 0.808 211 HH12 ARG 33 HH12 ARG 33 16.446 0.369 1.842 212 HH21 ARG 33 HH21 ARG 33 15.307 -2.847 1.095 213 HH22 ARG 33 HH22 ARG 33 16.441 -1.905 2.003 214 H ALA 34 HN ALA 34 10.737 -1.756 -3.884 215 HA ALA 34 HA ALA 34 12.133 -1.280 -6.419 216 HB1 ALA 34 HB1 ALA 34 11.890 -3.829 -4.833 217 HB2 ALA 34 HB2 ALA 34 13.278 -2.741 -4.825 218 HB3 ALA 34 HB3 ALA 34 12.843 -3.605 -6.300 219 H ASN 35 HN ASN 35 9.292 -2.716 -5.014 220 HA ASN 35 HA ASN 35 8.375 -3.737 -7.592 221 HB2 ASN 35 HB2 ASN 35 7.394 -4.101 -4.769 222 HB3 ASN 35 HB1 ASN 35 6.408 -4.571 -6.148 223 HD21 ASN 35 HD21 ASN 35 7.073 -6.285 -7.446 224 HD22 ASN 35 HD22 ASN 35 8.265 -7.420 -6.922 225 H GLY 36 HN GLY 36 7.963 -1.017 -5.551 226 HA2 GLY 36 HA2 GLY 36 6.954 0.992 -6.311 227 HA3 GLY 36 HA1 GLY 36 5.928 0.047 -7.376 228 H CYS 37 HN CYS 37 6.023 1.836 -4.585 229 HA CYS 37 HA CYS 37 3.823 0.440 -3.267 230 HB2 CYS 37 HB2 CYS 37 4.152 2.444 -1.598 231 HB3 CYS 37 HB1 CYS 37 5.323 1.134 -1.634 232 H GLN 38 HN GLN 38 2.129 2.228 -2.255 233 HA GLN 38 HA GLN 38 1.130 3.601 -4.662 234 HB2 GLN 38 HB2 GLN 38 -0.614 2.803 -2.349 235 HB3 GLN 38 HB1 GLN 38 -1.073 3.119 -4.015 236 HG2 GLN 38 HG2 GLN 38 0.690 0.806 -3.274 237 HG3 GLN 38 HG1 GLN 38 -1.068 0.697 -3.209 238 HE21 GLN 38 HE21 GLN 38 -2.262 0.777 -5.127 239 HE22 GLN 38 HE22 GLN 38 -1.531 0.500 -6.667 240 H SER 39 HN SER 39 0.527 3.949 -1.130 241 HA SER 39 HA SER 39 0.210 6.803 -1.446 242 HB2 SER 39 HB2 SER 39 -0.054 4.842 0.776 243 HB3 SER 39 HB1 SER 39 0.045 6.556 1.165 244 HG SER 39 HG SER 39 -1.748 5.641 -0.800 245 H ASN 40 HN ASN 40 1.236 7.989 0.738 246 HA ASN 40 HA ASN 40 3.859 8.614 0.056 247 HB2 ASN 40 HB2 ASN 40 2.326 9.055 2.616 248 HB3 ASN 40 HB1 ASN 40 3.939 9.707 2.349 249 HD21 ASN 40 HD21 ASN 40 0.592 9.862 1.427 250 HD22 ASN 40 HD22 ASN 40 0.685 11.365 0.581 251 H CYS 41 HN CYS 41 5.112 6.854 -0.153 252 HA CYS 41 HA CYS 41 5.792 5.318 2.254 253 HB2 CYS 41 HB2 CYS 41 6.869 3.790 0.394 254 HB3 CYS 41 HB1 CYS 41 5.131 3.735 0.677 255 H ARG 42 HN ARG 42 7.346 6.526 -0.676 256 HA ARG 42 HA ARG 42 9.891 6.773 0.744 257 HB2 ARG 42 HB2 ARG 42 9.202 6.792 -2.189 258 HB3 ARG 42 HB1 ARG 42 10.803 7.202 -1.591 259 HG2 ARG 42 HG2 ARG 42 11.048 4.989 -0.633 260 HG3 ARG 42 HG1 ARG 42 9.408 4.570 -1.129 261 HD2 ARG 42 HD2 ARG 42 11.543 5.404 -3.079 262 HD3 ARG 42 HD1 ARG 42 11.285 3.726 -2.608 263 HE ARG 42 HE ARG 42 8.834 4.768 -3.443 264 HH11 ARG 42 HH11 ARG 42 11.949 3.996 -4.868 265 HH12 ARG 42 HH12 ARG 42 11.284 3.682 -6.436 266 HH21 ARG 42 HH21 ARG 42 7.984 4.353 -5.503 267 HH22 ARG 42 HH22 ARG 42 9.040 3.885 -6.794 268 H GLY 43 HN GLY 43 7.441 8.670 -0.823 269 HA2 GLY 43 HA2 GLY 43 8.597 11.108 0.277 270 HA3 GLY 43 HA1 GLY 43 8.438 11.052 -1.471 Start of MODEL 15 1 H1 GLN 1 HT1 GLN 1 -3.811 -0.236 10.852 2 H2 GLN 1 HT2 GLN 1 -4.410 -1.791 10.569 3 H3 GLN 1 HT3 GLN 1 -5.428 -0.596 11.196 4 HA GLN 1 HA GLN 1 -4.182 -0.566 8.511 5 HB2 GLN 1 HB2 GLN 1 -6.972 -1.217 9.451 6 HB3 GLN 1 HB1 GLN 1 -6.633 -0.738 7.794 7 HG2 GLN 1 HG2 GLN 1 -5.173 -2.647 7.509 8 HG3 GLN 1 HG1 GLN 1 -5.413 -3.108 9.193 9 HE21 GLN 1 HE21 GLN 1 -7.377 -3.999 9.826 10 HE22 GLN 1 HE22 GLN 1 -8.513 -4.626 8.685 11 H ASN 2 HN ASN 2 -4.254 1.309 7.446 12 HA ASN 2 HA ASN 2 -5.724 3.553 8.666 13 HB2 ASN 2 HB2 ASN 2 -3.026 3.574 7.297 14 HB3 ASN 2 HB1 ASN 2 -3.929 5.033 7.669 15 HD21 ASN 2 HD21 ASN 2 -4.161 5.679 9.812 16 HD22 ASN 2 HD22 ASN 2 -3.165 5.048 11.074 17 H CYS 3 HN CYS 3 -4.668 2.014 5.717 18 HA CYS 3 HA CYS 3 -6.842 3.160 4.204 19 HB2 CYS 3 HB2 CYS 3 -5.467 5.003 3.871 20 HB3 CYS 3 HB1 CYS 3 -4.000 4.049 3.902 21 H GLY 4 HN GLY 4 -6.387 2.537 1.718 22 HA2 GLY 4 HA2 GLY 4 -5.101 0.714 0.475 23 HA3 GLY 4 HA1 GLY 4 -5.735 -0.337 1.725 24 H ARG 5 HN ARG 5 -6.996 -1.642 0.423 25 HA ARG 5 HA ARG 5 -9.130 -0.292 -1.078 26 HB2 ARG 5 HB2 ARG 5 -9.328 -2.366 -2.440 27 HB3 ARG 5 HB1 ARG 5 -7.734 -1.642 -2.551 28 HG2 ARG 5 HG2 ARG 5 -6.799 -3.328 -1.130 29 HG3 ARG 5 HG1 ARG 5 -8.400 -3.980 -0.771 30 HD2 ARG 5 HD2 ARG 5 -8.674 -4.594 -3.122 31 HD3 ARG 5 HD1 ARG 5 -7.079 -3.936 -3.482 32 HE ARG 5 HE ARG 5 -6.765 -5.826 -1.465 33 HH11 ARG 5 HH11 ARG 5 -7.735 -5.793 -4.841 34 HH12 ARG 5 HH12 ARG 5 -7.177 -7.407 -5.135 35 HH21 ARG 5 HH21 ARG 5 -6.042 -7.936 -1.874 36 HH22 ARG 5 HH22 ARG 5 -6.221 -8.617 -3.457 37 H GLN 6 HN GLN 6 -8.845 -1.336 1.852 38 HA GLN 6 HA GLN 6 -11.363 -2.862 1.936 39 HB2 GLN 6 HB2 GLN 6 -9.001 -2.859 3.801 40 HB3 GLN 6 HB1 GLN 6 -10.559 -3.523 4.268 41 HG2 GLN 6 HG2 GLN 6 -10.437 -5.107 2.407 42 HG3 GLN 6 HG1 GLN 6 -8.869 -4.445 1.954 43 HE21 GLN 6 HE21 GLN 6 -10.617 -6.358 4.266 44 HE22 GLN 6 HE22 GLN 6 -9.239 -7.044 5.048 45 H ALA 7 HN ALA 7 -9.719 -0.033 3.046 46 HA ALA 7 HA ALA 7 -11.762 0.660 5.002 47 HB1 ALA 7 HB1 ALA 7 -9.403 1.104 5.497 48 HB2 ALA 7 HB2 ALA 7 -10.356 2.588 5.490 49 HB3 ALA 7 HB3 ALA 7 -9.321 2.197 4.116 50 H GLY 8 HN GLY 8 -11.666 0.801 1.747 51 HA2 GLY 8 HA2 GLY 8 -13.349 1.820 0.423 52 HA3 GLY 8 HA1 GLY 8 -13.517 3.074 1.644 53 H ASN 9 HN ASN 9 -10.396 2.047 0.491 54 HA ASN 9 HA ASN 9 -8.668 3.105 -0.495 55 HB2 ASN 9 HB2 ASN 9 -10.899 4.068 -2.296 56 HB3 ASN 9 HB1 ASN 9 -9.197 4.361 -2.634 57 HD21 ASN 9 HD21 ASN 9 -11.715 1.980 -2.431 58 HD22 ASN 9 HD22 ASN 9 -10.865 0.715 -3.246 59 H ARG 10 HN ARG 10 -8.420 4.281 1.495 60 HA ARG 10 HA ARG 10 -8.997 7.155 1.310 61 HB2 ARG 10 HB2 ARG 10 -8.259 5.352 3.623 62 HB3 ARG 10 HB1 ARG 10 -8.234 7.104 3.760 63 HG2 ARG 10 HG2 ARG 10 -10.617 7.182 3.211 64 HG3 ARG 10 HG1 ARG 10 -10.640 5.423 3.082 65 HD2 ARG 10 HD2 ARG 10 -9.978 5.243 5.430 66 HD3 ARG 10 HD1 ARG 10 -9.946 7.001 5.558 67 HE ARG 10 HE ARG 10 -12.478 6.200 4.646 68 HH11 ARG 10 HH11 ARG 10 -10.555 6.058 7.582 69 HH12 ARG 10 HH12 ARG 10 -11.939 6.029 8.623 70 HH21 ARG 10 HH21 ARG 10 -14.041 6.088 7.743 71 HH22 ARG 10 HH22 ARG 10 -14.274 6.162 6.028 72 H ALA 11 HN ALA 11 -6.813 7.881 3.141 73 HA ALA 11 HA ALA 11 -4.420 7.201 1.591 74 HB1 ALA 11 HB1 ALA 11 -5.203 10.026 2.302 75 HB2 ALA 11 HB2 ALA 11 -5.255 9.318 0.687 76 HB3 ALA 11 HB3 ALA 11 -3.709 9.529 1.508 77 H CYS 12 HN CYS 12 -2.526 7.109 2.748 78 HA CYS 12 HA CYS 12 -2.805 7.022 5.638 79 HB2 CYS 12 HB2 CYS 12 -0.563 6.328 3.756 80 HB3 CYS 12 HB1 CYS 12 -0.413 6.201 5.505 81 H ALA 13 HN ALA 13 -0.648 7.740 6.833 82 HA ALA 13 HA ALA 13 -0.534 10.614 6.589 83 HB1 ALA 13 HB1 ALA 13 -0.739 9.346 8.759 84 HB2 ALA 13 HB2 ALA 13 0.495 10.604 8.713 85 HB3 ALA 13 HB3 ALA 13 0.958 8.910 8.562 86 H ASN 14 HN ASN 14 2.114 11.019 7.589 87 HA ASN 14 HA ASN 14 3.608 10.750 5.094 88 HB2 ASN 14 HB2 ASN 14 3.206 12.892 6.590 89 HB3 ASN 14 HB1 ASN 14 4.621 12.279 7.438 90 HD21 ASN 14 HD21 ASN 14 3.407 13.595 4.459 91 HD22 ASN 14 HD22 ASN 14 4.942 13.953 3.753 92 H GLN 15 HN GLN 15 3.486 9.212 8.123 93 HA GLN 15 HA GLN 15 6.331 8.478 8.076 94 HB2 GLN 15 HB2 GLN 15 4.193 8.216 10.182 95 HB3 GLN 15 HB1 GLN 15 5.738 7.388 10.316 96 HG2 GLN 15 HG2 GLN 15 6.899 9.538 10.235 97 HG3 GLN 15 HG1 GLN 15 5.348 10.367 10.104 98 HE21 GLN 15 HE21 GLN 15 3.991 10.466 11.893 99 HE22 GLN 15 HE22 GLN 15 4.555 10.137 13.493 100 H LEU 16 HN LEU 16 3.292 7.277 7.188 101 HA LEU 16 HA LEU 16 4.429 4.630 6.674 102 HB2 LEU 16 HB2 LEU 16 2.252 3.573 7.378 103 HB3 LEU 16 HB1 LEU 16 3.196 4.235 8.693 104 HG LEU 16 HG LEU 16 0.878 5.721 7.464 105 HD11 LEU 16 HD11 LEU 16 -0.489 4.894 9.310 106 HD12 LEU 16 HD12 LEU 16 0.840 3.855 9.825 107 HD13 LEU 16 HD13 LEU 16 0.061 3.584 8.266 108 HD21 LEU 16 HD21 LEU 16 2.378 7.103 8.797 109 HD22 LEU 16 HD22 LEU 16 2.269 5.965 10.138 110 HD23 LEU 16 HD23 LEU 16 0.847 6.883 9.644 111 H CYS 17 HN CYS 17 2.390 3.369 5.403 112 HA CYS 17 HA CYS 17 1.024 5.048 3.548 113 HB2 CYS 17 HB2 CYS 17 2.365 5.006 1.696 114 HB3 CYS 17 HB1 CYS 17 3.632 4.767 2.889 115 H CYS 18 HN CYS 18 -0.389 4.013 2.182 116 HA CYS 18 HA CYS 18 -0.830 1.157 2.763 117 HB2 CYS 18 HB2 CYS 18 -3.128 1.554 1.881 118 HB3 CYS 18 HB1 CYS 18 -2.740 2.554 3.275 119 H SER 19 HN SER 19 -1.563 -0.246 1.135 120 HA SER 19 HA SER 19 -0.809 0.462 -1.624 121 HB2 SER 19 HB2 SER 19 0.061 -1.879 -1.887 122 HB3 SER 19 HB1 SER 19 0.984 -0.938 -0.714 123 HG SER 19 HG SER 19 0.542 -2.915 0.191 124 H GLN 20 HN GLN 20 -1.715 -1.384 -3.167 125 HA GLN 20 HA GLN 20 -4.558 -1.449 -2.808 126 HB2 GLN 20 HB2 GLN 20 -3.096 -1.333 -5.004 127 HB3 GLN 20 HB1 GLN 20 -3.162 -3.085 -4.899 128 HG2 GLN 20 HG2 GLN 20 -5.583 -3.026 -4.984 129 HG3 GLN 20 HG1 GLN 20 -5.559 -1.264 -4.999 130 HE21 GLN 20 HE21 GLN 20 -4.962 -4.160 -6.820 131 HE22 GLN 20 HE22 GLN 20 -4.849 -3.407 -8.371 132 H TYR 21 HN TYR 21 -4.614 -2.575 -0.791 133 HA TYR 21 HA TYR 21 -5.025 -5.403 -1.016 134 HB2 TYR 21 HB2 TYR 21 -2.589 -5.433 -0.695 135 HB3 TYR 21 HB1 TYR 21 -2.741 -4.398 0.714 136 HD1 TYR 21 HD1 TYR 21 -3.675 -5.323 2.836 137 HD2 TYR 21 HD2 TYR 21 -2.919 -7.786 -0.546 138 HE1 TYR 21 HE1 TYR 21 -3.776 -7.318 4.271 139 HE2 TYR 21 HE2 TYR 21 -3.026 -9.789 0.875 140 HH TYR 21 HH TYR 21 -2.739 -10.381 3.244 141 H GLY 22 HN GLY 22 -4.377 -2.828 1.282 142 HA2 GLY 22 HA2 GLY 22 -6.432 -2.000 2.512 143 HA3 GLY 22 HA1 GLY 22 -6.688 -3.689 2.903 144 H PHE 23 HN PHE 23 -3.432 -2.579 2.746 145 HA PHE 23 HA PHE 23 -3.309 -2.415 5.670 146 HB2 PHE 23 HB2 PHE 23 -2.446 -4.601 4.483 147 HB3 PHE 23 HB1 PHE 23 -1.032 -3.616 4.163 148 HD1 PHE 23 HD1 PHE 23 -2.202 -6.035 6.234 149 HD2 PHE 23 HD2 PHE 23 -0.334 -2.212 6.485 150 HE1 PHE 23 HE1 PHE 23 -1.352 -6.597 8.470 151 HE2 PHE 23 HE2 PHE 23 0.516 -2.775 8.722 152 HZ PHE 23 HZ PHE 23 0.009 -4.969 9.716 153 H CYS 24 HN CYS 24 -2.390 -0.640 6.403 154 HA CYS 24 HA CYS 24 -0.502 0.868 4.743 155 HB2 CYS 24 HB2 CYS 24 -2.604 1.990 5.554 156 HB3 CYS 24 HB1 CYS 24 -2.004 1.771 7.195 157 H GLY 25 HN GLY 25 1.475 1.598 5.663 158 HA2 GLY 25 HA2 GLY 25 2.391 1.424 8.226 159 HA3 GLY 25 HA1 GLY 25 2.601 -0.206 7.615 160 H SER 26 HN SER 26 4.735 -0.470 7.247 161 HA SER 26 HA SER 26 6.102 1.530 5.578 162 HB2 SER 26 HB2 SER 26 6.638 1.724 8.067 163 HB3 SER 26 HB1 SER 26 7.476 0.183 7.889 164 HG SER 26 HG SER 26 8.916 1.120 6.515 165 H THR 27 HN THR 27 5.729 -1.780 6.514 166 HA THR 27 HA THR 27 7.975 -2.996 5.382 167 HB THR 27 HB THR 27 5.239 -4.260 5.425 168 HG1 THR 27 HG1 THR 27 5.231 -3.934 7.504 169 HG21 THR 27 HG21 THR 27 6.474 -6.304 6.002 170 HG22 THR 27 HG22 THR 27 7.991 -5.409 5.927 171 HG23 THR 27 HG23 THR 27 7.031 -5.639 4.466 172 H SER 28 HN SER 28 8.032 -4.426 3.454 173 HA SER 28 HA SER 28 7.242 -2.960 1.087 174 HB2 SER 28 HB2 SER 28 9.515 -3.957 1.404 175 HB3 SER 28 HB1 SER 28 8.782 -5.555 1.289 176 HG SER 28 HG SER 28 8.769 -3.537 -0.711 177 H GLU 29 HN GLU 29 4.984 -3.648 2.107 178 HA GLU 29 HA GLU 29 3.834 -5.542 0.222 179 HB2 GLU 29 HB2 GLU 29 3.478 -5.752 3.227 180 HB3 GLU 29 HB1 GLU 29 2.360 -6.482 2.084 181 HG2 GLU 29 HG2 GLU 29 5.288 -7.117 2.014 182 HG3 GLU 29 HG1 GLU 29 4.191 -7.951 3.115 183 H TYR 30 HN TYR 30 3.507 -3.188 2.747 184 HA TYR 30 HA TYR 30 0.972 -2.182 1.732 185 HB2 TYR 30 HB2 TYR 30 2.161 -0.597 3.852 186 HB3 TYR 30 HB1 TYR 30 0.595 -1.384 3.803 187 HD1 TYR 30 HD1 TYR 30 1.104 -4.220 3.920 188 HD2 TYR 30 HD2 TYR 30 3.273 -1.072 5.787 189 HE1 TYR 30 HE1 TYR 30 1.828 -5.771 5.682 190 HE2 TYR 30 HE2 TYR 30 4.001 -2.614 7.551 191 HH TYR 30 HH TYR 30 3.271 -4.732 8.567 192 H CYS 31 HN CYS 31 4.346 -1.535 1.814 193 HA CYS 31 HA CYS 31 3.971 0.920 0.250 194 HB2 CYS 31 HB2 CYS 31 6.125 0.213 2.240 195 HB3 CYS 31 HB1 CYS 31 6.342 1.485 1.048 196 H SER 32 HN SER 32 3.745 -0.452 -1.561 197 HA SER 32 HA SER 32 5.842 -2.190 -2.420 198 HB2 SER 32 HB2 SER 32 3.231 -1.260 -3.467 199 HB3 SER 32 HB1 SER 32 4.394 -1.849 -4.653 200 HG SER 32 HG SER 32 2.820 -3.292 -3.161 201 H ARG 33 HN ARG 33 7.763 -1.397 -2.927 202 HA ARG 33 HA ARG 33 8.047 1.130 -4.335 203 HB2 ARG 33 HB2 ARG 33 9.526 0.184 -2.357 204 HB3 ARG 33 HB1 ARG 33 10.336 -0.708 -3.626 205 HG2 ARG 33 HG2 ARG 33 10.110 2.300 -3.679 206 HG3 ARG 33 HG1 ARG 33 11.417 1.461 -2.847 207 HD2 ARG 33 HD2 ARG 33 12.053 0.375 -4.952 208 HD3 ARG 33 HD1 ARG 33 10.758 1.233 -5.786 209 HE ARG 33 HE ARG 33 12.258 3.191 -4.588 210 HH11 ARG 33 HH11 ARG 33 12.930 0.654 -6.922 211 HH12 ARG 33 HH12 ARG 33 14.199 1.544 -7.695 212 HH21 ARG 33 HH21 ARG 33 13.923 4.337 -5.615 213 HH22 ARG 33 HH22 ARG 33 14.759 3.627 -6.955 214 H ALA 34 HN ALA 34 8.202 -2.267 -4.918 215 HA ALA 34 HA ALA 34 9.137 -1.842 -7.673 216 HB1 ALA 34 HB1 ALA 34 10.497 -3.392 -6.353 217 HB2 ALA 34 HB2 ALA 34 9.716 -4.205 -7.709 218 HB3 ALA 34 HB3 ALA 34 9.075 -4.399 -6.077 219 H ASN 35 HN ASN 35 6.440 -2.756 -5.755 220 HA ASN 35 HA ASN 35 5.027 -3.874 -8.061 221 HB2 ASN 35 HB2 ASN 35 4.499 -4.027 -5.101 222 HB3 ASN 35 HB1 ASN 35 3.265 -4.462 -6.279 223 HD21 ASN 35 HD21 ASN 35 6.337 -5.290 -4.896 224 HD22 ASN 35 HD22 ASN 35 6.424 -6.892 -5.538 225 H GLY 36 HN GLY 36 5.191 -1.029 -6.125 226 HA2 GLY 36 HA2 GLY 36 4.251 0.988 -7.128 227 HA3 GLY 36 HA1 GLY 36 2.843 0.036 -7.564 228 H CYS 37 HN CYS 37 4.049 2.272 -5.435 229 HA CYS 37 HA CYS 37 2.591 1.556 -3.058 230 HB2 CYS 37 HB2 CYS 37 4.000 4.076 -3.939 231 HB3 CYS 37 HB1 CYS 37 3.206 3.913 -2.381 232 H GLN 38 HN GLN 38 0.755 2.636 -2.201 233 HA GLN 38 HA GLN 38 -0.891 3.974 -4.237 234 HB2 GLN 38 HB2 GLN 38 -1.668 2.634 -1.638 235 HB3 GLN 38 HB1 GLN 38 -2.795 3.503 -2.670 236 HG2 GLN 38 HG2 GLN 38 -1.155 1.259 -3.770 237 HG3 GLN 38 HG1 GLN 38 -2.622 0.930 -2.849 238 HE21 GLN 38 HE21 GLN 38 -1.309 2.261 -5.777 239 HE22 GLN 38 HE22 GLN 38 -2.799 2.363 -6.644 240 H SER 39 HN SER 39 -0.115 4.228 -0.749 241 HA SER 39 HA SER 39 -0.781 7.058 -0.802 242 HB2 SER 39 HB2 SER 39 -1.514 5.411 1.022 243 HB3 SER 39 HB1 SER 39 0.156 5.478 1.574 244 HG SER 39 HG SER 39 -0.115 7.489 2.239 245 H ASN 40 HN ASN 40 0.875 7.931 1.239 246 HA ASN 40 HA ASN 40 3.232 8.645 -0.202 247 HB2 ASN 40 HB2 ASN 40 1.736 9.934 1.539 248 HB3 ASN 40 HB1 ASN 40 2.835 9.205 2.704 249 HD21 ASN 40 HD21 ASN 40 2.520 11.463 0.080 250 HD22 ASN 40 HD22 ASN 40 4.037 12.258 0.308 251 H CYS 41 HN CYS 41 4.305 6.605 -0.468 252 HA CYS 41 HA CYS 41 5.357 5.375 1.946 253 HB2 CYS 41 HB2 CYS 41 6.032 3.508 0.624 254 HB3 CYS 41 HB1 CYS 41 4.431 3.958 0.070 255 H ARG 42 HN ARG 42 6.884 6.228 -1.121 256 HA ARG 42 HA ARG 42 9.133 7.396 0.368 257 HB2 ARG 42 HB2 ARG 42 9.324 5.539 -2.008 258 HB3 ARG 42 HB1 ARG 42 10.675 6.472 -1.384 259 HG2 ARG 42 HG2 ARG 42 11.062 4.493 -0.325 260 HG3 ARG 42 HG1 ARG 42 10.011 5.254 0.872 261 HD2 ARG 42 HD2 ARG 42 8.088 4.107 -0.397 262 HD3 ARG 42 HD1 ARG 42 9.350 3.117 -1.129 263 HE ARG 42 HE ARG 42 8.766 3.233 1.759 264 HH11 ARG 42 HH11 ARG 42 9.971 1.471 -1.033 265 HH12 ARG 42 HH12 ARG 42 10.233 0.010 -0.139 266 HH21 ARG 42 HH21 ARG 42 9.122 1.311 2.905 267 HH22 ARG 42 HH22 ARG 42 9.753 -0.079 2.087 268 H GLY 43 HN GLY 43 7.128 7.411 -2.462 269 HA2 GLY 43 HA2 GLY 43 6.509 9.480 -3.510 270 HA3 GLY 43 HA1 GLY 43 8.097 10.114 -3.107 Start of MODEL 16 1 H1 GLN 1 HT1 GLN 1 -4.241 -2.212 10.258 2 H2 GLN 1 HT2 GLN 1 -5.436 -1.077 10.638 3 H3 GLN 1 HT3 GLN 1 -3.801 -0.670 10.800 4 HA GLN 1 HA GLN 1 -3.472 -0.842 8.434 5 HB2 GLN 1 HB2 GLN 1 -6.413 -1.542 8.453 6 HB3 GLN 1 HB1 GLN 1 -5.561 -1.028 7.005 7 HG2 GLN 1 HG2 GLN 1 -5.506 -3.318 6.806 8 HG3 GLN 1 HG1 GLN 1 -3.950 -2.984 7.565 9 HE21 GLN 1 HE21 GLN 1 -3.613 -3.575 9.702 10 HE22 GLN 1 HE22 GLN 1 -4.664 -4.661 10.539 11 H ASN 2 HN ASN 2 -3.467 1.067 7.328 12 HA ASN 2 HA ASN 2 -4.979 3.269 8.552 13 HB2 ASN 2 HB2 ASN 2 -2.247 3.040 7.940 14 HB3 ASN 2 HB1 ASN 2 -2.895 4.140 6.729 15 HD21 ASN 2 HD21 ASN 2 -2.323 3.615 10.117 16 HD22 ASN 2 HD22 ASN 2 -2.588 5.246 10.621 17 H CYS 3 HN CYS 3 -4.567 1.500 5.616 18 HA CYS 3 HA CYS 3 -6.752 2.728 4.308 19 HB2 CYS 3 HB2 CYS 3 -5.532 4.611 3.734 20 HB3 CYS 3 HB1 CYS 3 -4.010 3.746 3.709 21 H GLY 4 HN GLY 4 -6.673 2.083 1.829 22 HA2 GLY 4 HA2 GLY 4 -5.315 0.264 0.520 23 HA3 GLY 4 HA1 GLY 4 -6.018 -0.762 1.752 24 H ARG 5 HN ARG 5 -7.648 -1.880 0.951 25 HA ARG 5 HA ARG 5 -9.512 -0.568 -0.905 26 HB2 ARG 5 HB2 ARG 5 -8.164 -2.333 -1.966 27 HB3 ARG 5 HB1 ARG 5 -8.716 -3.485 -0.761 28 HG2 ARG 5 HG2 ARG 5 -10.917 -3.453 -1.601 29 HG3 ARG 5 HG1 ARG 5 -10.584 -2.047 -2.613 30 HD2 ARG 5 HD2 ARG 5 -9.019 -3.387 -3.946 31 HD3 ARG 5 HD1 ARG 5 -9.364 -4.789 -2.933 32 HE ARG 5 HE ARG 5 -11.790 -3.873 -3.944 33 HH11 ARG 5 HH11 ARG 5 -8.836 -5.287 -5.215 34 HH12 ARG 5 HH12 ARG 5 -9.633 -6.017 -6.569 35 HH21 ARG 5 HH21 ARG 5 -12.811 -4.838 -5.722 36 HH22 ARG 5 HH22 ARG 5 -11.882 -5.762 -6.855 37 H GLN 6 HN GLN 6 -9.112 -2.175 2.057 38 HA GLN 6 HA GLN 6 -11.923 -2.910 2.351 39 HB2 GLN 6 HB2 GLN 6 -9.498 -3.455 4.053 40 HB3 GLN 6 HB1 GLN 6 -11.129 -3.858 4.567 41 HG2 GLN 6 HG2 GLN 6 -11.372 -5.313 2.607 42 HG3 GLN 6 HG1 GLN 6 -9.720 -4.927 2.131 43 HE21 GLN 6 HE21 GLN 6 -8.004 -5.753 3.325 44 HE22 GLN 6 HE22 GLN 6 -8.200 -7.067 4.430 45 H ALA 7 HN ALA 7 -9.705 -0.474 3.376 46 HA ALA 7 HA ALA 7 -11.339 0.449 5.592 47 HB1 ALA 7 HB1 ALA 7 -8.854 1.654 4.374 48 HB2 ALA 7 HB2 ALA 7 -8.893 0.532 5.734 49 HB3 ALA 7 HB3 ALA 7 -9.607 2.137 5.894 50 H GLY 8 HN GLY 8 -12.170 0.525 2.614 51 HA2 GLY 8 HA2 GLY 8 -13.789 1.868 1.582 52 HA3 GLY 8 HA1 GLY 8 -13.426 3.151 2.728 53 H ASN 9 HN ASN 9 -10.719 1.704 1.254 54 HA ASN 9 HA ASN 9 -9.077 2.429 -0.098 55 HB2 ASN 9 HB2 ASN 9 -11.457 3.347 -1.730 56 HB3 ASN 9 HB1 ASN 9 -9.800 3.428 -2.319 57 HD21 ASN 9 HD21 ASN 9 -8.696 1.526 -2.781 58 HD22 ASN 9 HD22 ASN 9 -9.514 0.017 -2.982 59 H ARG 10 HN ARG 10 -8.521 3.869 1.690 60 HA ARG 10 HA ARG 10 -8.956 6.727 1.182 61 HB2 ARG 10 HB2 ARG 10 -7.982 5.172 3.584 62 HB3 ARG 10 HB1 ARG 10 -7.842 6.920 3.493 63 HG2 ARG 10 HG2 ARG 10 -10.264 7.115 3.281 64 HG3 ARG 10 HG1 ARG 10 -10.413 5.357 3.346 65 HD2 ARG 10 HD2 ARG 10 -9.426 5.363 5.589 66 HD3 ARG 10 HD1 ARG 10 -9.291 7.120 5.522 67 HE ARG 10 HE ARG 10 -11.953 6.495 5.051 68 HH11 ARG 10 HH11 ARG 10 -9.677 6.143 7.703 69 HH12 ARG 10 HH12 ARG 10 -10.907 6.222 8.920 70 HH21 ARG 10 HH21 ARG 10 -13.095 6.480 8.330 71 HH22 ARG 10 HH22 ARG 10 -13.545 6.597 6.661 72 H ALA 11 HN ALA 11 -6.498 7.504 2.632 73 HA ALA 11 HA ALA 11 -4.281 6.455 1.079 74 HB1 ALA 11 HB1 ALA 11 -3.583 8.620 0.202 75 HB2 ALA 11 HB2 ALA 11 -5.023 9.374 0.887 76 HB3 ALA 11 HB3 ALA 11 -5.180 8.184 -0.406 77 H CYS 12 HN CYS 12 -2.275 6.779 2.063 78 HA CYS 12 HA CYS 12 -2.415 7.910 4.778 79 HB2 CYS 12 HB2 CYS 12 -0.303 6.103 3.575 80 HB3 CYS 12 HB1 CYS 12 -0.418 6.593 5.263 81 H ALA 13 HN ALA 13 -1.340 9.707 5.338 82 HA ALA 13 HA ALA 13 0.746 10.744 3.547 83 HB1 ALA 13 HB1 ALA 13 -0.209 12.967 3.565 84 HB2 ALA 13 HB2 ALA 13 -1.548 12.403 4.565 85 HB3 ALA 13 HB3 ALA 13 -1.366 11.803 2.917 86 H ASN 14 HN ASN 14 0.162 9.799 6.603 87 HA ASN 14 HA ASN 14 1.427 12.007 7.993 88 HB2 ASN 14 HB2 ASN 14 0.359 9.357 8.949 89 HB3 ASN 14 HB1 ASN 14 1.190 10.489 10.011 90 HD21 ASN 14 HD21 ASN 14 -1.673 9.874 8.146 91 HD22 ASN 14 HD22 ASN 14 -2.639 11.129 8.836 92 H GLN 15 HN GLN 15 2.130 8.546 7.999 93 HA GLN 15 HA GLN 15 4.944 9.007 7.437 94 HB2 GLN 15 HB2 GLN 15 4.312 8.945 10.047 95 HB3 GLN 15 HB1 GLN 15 4.418 7.216 9.761 96 HG2 GLN 15 HG2 GLN 15 6.642 9.076 8.985 97 HG3 GLN 15 HG1 GLN 15 6.497 8.431 10.618 98 HE21 GLN 15 HE21 GLN 15 7.215 7.721 7.306 99 HE22 GLN 15 HE22 GLN 15 7.844 6.133 7.564 100 H LEU 16 HN LEU 16 2.365 6.770 8.144 101 HA LEU 16 HA LEU 16 3.443 4.379 7.190 102 HB2 LEU 16 HB2 LEU 16 0.667 5.443 7.554 103 HB3 LEU 16 HB1 LEU 16 0.928 3.864 6.842 104 HG LEU 16 HG LEU 16 2.271 3.345 8.932 105 HD11 LEU 16 HD11 LEU 16 2.491 5.603 9.814 106 HD12 LEU 16 HD12 LEU 16 1.631 4.576 10.960 107 HD13 LEU 16 HD13 LEU 16 0.738 5.724 9.963 108 HD21 LEU 16 HD21 LEU 16 -0.007 2.480 8.356 109 HD22 LEU 16 HD22 LEU 16 -0.667 3.781 9.350 110 HD23 LEU 16 HD23 LEU 16 0.354 2.545 10.082 111 H CYS 17 HN CYS 17 2.299 3.129 5.364 112 HA CYS 17 HA CYS 17 1.690 4.781 3.073 113 HB2 CYS 17 HB2 CYS 17 3.481 2.782 2.079 114 HB3 CYS 17 HB1 CYS 17 3.542 4.527 1.893 115 H CYS 18 HN CYS 18 0.179 4.171 1.986 116 HA CYS 18 HA CYS 18 -1.069 1.588 2.363 117 HB2 CYS 18 HB2 CYS 18 -2.303 3.719 2.521 118 HB3 CYS 18 HB1 CYS 18 -1.947 4.029 0.832 119 H SER 19 HN SER 19 -1.739 0.240 0.750 120 HA SER 19 HA SER 19 -0.869 0.705 -1.998 121 HB2 SER 19 HB2 SER 19 -0.063 -1.678 -2.168 122 HB3 SER 19 HB1 SER 19 0.933 -0.675 -1.113 123 HG SER 19 HG SER 19 0.350 -2.778 -0.255 124 H GLN 20 HN GLN 20 -1.948 -0.847 -3.543 125 HA GLN 20 HA GLN 20 -4.743 -0.988 -2.971 126 HB2 GLN 20 HB2 GLN 20 -3.081 -1.923 -5.309 127 HB3 GLN 20 HB1 GLN 20 -4.817 -2.188 -5.232 128 HG2 GLN 20 HG2 GLN 20 -5.179 0.224 -5.091 129 HG3 GLN 20 HG1 GLN 20 -3.438 0.489 -5.167 130 HE21 GLN 20 HE21 GLN 20 -6.279 -0.449 -6.930 131 HE22 GLN 20 HE22 GLN 20 -5.589 -0.330 -8.510 132 H TYR 21 HN TYR 21 -4.781 -2.301 -1.109 133 HA TYR 21 HA TYR 21 -5.171 -5.097 -1.619 134 HB2 TYR 21 HB2 TYR 21 -2.827 -5.329 -1.277 135 HB3 TYR 21 HB1 TYR 21 -2.823 -4.162 0.034 136 HD1 TYR 21 HD1 TYR 21 -3.687 -7.622 -0.891 137 HD2 TYR 21 HD2 TYR 21 -3.241 -4.841 2.293 138 HE1 TYR 21 HE1 TYR 21 -3.808 -9.470 0.725 139 HE2 TYR 21 HE2 TYR 21 -3.360 -6.683 3.922 140 HH TYR 21 HH TYR 21 -3.105 -9.946 3.033 141 H GLY 22 HN GLY 22 -4.482 -2.945 1.081 142 HA2 GLY 22 HA2 GLY 22 -6.779 -2.333 2.238 143 HA3 GLY 22 HA1 GLY 22 -6.712 -4.041 2.616 144 H PHE 23 HN PHE 23 -3.610 -2.744 2.437 145 HA PHE 23 HA PHE 23 -3.556 -2.212 5.315 146 HB2 PHE 23 HB2 PHE 23 -2.632 -4.532 4.386 147 HB3 PHE 23 HB1 PHE 23 -1.196 -3.556 4.126 148 HD1 PHE 23 HD1 PHE 23 -0.359 -2.184 6.200 149 HD2 PHE 23 HD2 PHE 23 -2.985 -5.529 6.426 150 HE1 PHE 23 HE1 PHE 23 0.257 -2.507 8.560 151 HE2 PHE 23 HE2 PHE 23 -2.375 -5.852 8.785 152 HZ PHE 23 HZ PHE 23 -0.752 -4.342 9.855 153 H CYS 24 HN CYS 24 -2.115 -0.758 6.067 154 HA CYS 24 HA CYS 24 -0.288 0.625 4.242 155 HB2 CYS 24 HB2 CYS 24 -2.286 2.006 4.306 156 HB3 CYS 24 HB1 CYS 24 -2.335 1.915 6.058 157 H GLY 25 HN GLY 25 1.666 1.159 5.216 158 HA2 GLY 25 HA2 GLY 25 2.081 1.509 7.959 159 HA3 GLY 25 HA1 GLY 25 2.371 -0.178 7.598 160 H SER 26 HN SER 26 4.452 -0.597 7.432 161 HA SER 26 HA SER 26 6.190 1.257 5.950 162 HB2 SER 26 HB2 SER 26 6.746 0.017 8.642 163 HB3 SER 26 HB1 SER 26 7.991 0.761 7.640 164 HG SER 26 HG SER 26 6.077 2.516 7.746 165 H THR 27 HN THR 27 5.256 -1.961 6.651 166 HA THR 27 HA THR 27 7.597 -3.358 5.877 167 HB THR 27 HB THR 27 4.841 -4.513 5.587 168 HG1 THR 27 HG1 THR 27 4.506 -3.978 7.605 169 HG21 THR 27 HG21 THR 27 5.923 -6.544 6.452 170 HG22 THR 27 HG22 THR 27 7.447 -5.670 6.597 171 HG23 THR 27 HG23 THR 27 6.742 -5.955 5.006 172 H SER 28 HN SER 28 7.722 -4.829 3.976 173 HA SER 28 HA SER 28 7.365 -3.319 1.547 174 HB2 SER 28 HB2 SER 28 8.659 -5.962 2.172 175 HB3 SER 28 HB1 SER 28 8.609 -5.268 0.552 176 HG SER 28 HG SER 28 9.603 -3.355 1.616 177 H GLU 29 HN GLU 29 4.867 -4.024 2.516 178 HA GLU 29 HA GLU 29 3.881 -5.781 0.398 179 HB2 GLU 29 HB2 GLU 29 3.916 -6.977 2.610 180 HB3 GLU 29 HB1 GLU 29 2.856 -5.734 3.253 181 HG2 GLU 29 HG2 GLU 29 1.370 -7.388 2.759 182 HG3 GLU 29 HG1 GLU 29 1.313 -6.420 1.288 183 H TYR 30 HN TYR 30 3.251 -3.368 2.821 184 HA TYR 30 HA TYR 30 1.098 -2.162 1.260 185 HB2 TYR 30 HB2 TYR 30 1.441 -0.726 3.651 186 HB3 TYR 30 HB1 TYR 30 0.140 -1.842 3.268 187 HD1 TYR 30 HD1 TYR 30 0.797 -4.437 3.701 188 HD2 TYR 30 HD2 TYR 30 2.670 -1.098 5.564 189 HE1 TYR 30 HE1 TYR 30 1.484 -5.873 5.571 190 HE2 TYR 30 HE2 TYR 30 3.363 -2.530 7.435 191 HH TYR 30 HH TYR 30 3.207 -5.916 7.318 192 H CYS 31 HN CYS 31 4.266 -1.684 2.538 193 HA CYS 31 HA CYS 31 4.528 0.825 1.054 194 HB2 CYS 31 HB2 CYS 31 4.505 1.032 3.613 195 HB3 CYS 31 HB1 CYS 31 6.060 0.209 3.579 196 H SER 32 HN SER 32 5.298 -0.235 -0.740 197 HA SER 32 HA SER 32 7.544 -2.040 -0.561 198 HB2 SER 32 HB2 SER 32 5.893 -0.933 -2.799 199 HB3 SER 32 HB1 SER 32 7.406 -1.768 -3.142 200 HG SER 32 HG SER 32 5.492 -2.940 -1.445 201 H ARG 33 HN ARG 33 9.616 -1.611 -0.724 202 HA ARG 33 HA ARG 33 10.477 1.125 -1.332 203 HB2 ARG 33 HB2 ARG 33 11.883 -1.159 0.066 204 HB3 ARG 33 HB1 ARG 33 12.667 0.362 -0.328 205 HG2 ARG 33 HG2 ARG 33 10.158 0.389 1.290 206 HG3 ARG 33 HG1 ARG 33 11.685 -0.046 2.056 207 HD2 ARG 33 HD2 ARG 33 12.658 2.076 1.300 208 HD3 ARG 33 HD1 ARG 33 11.121 2.509 0.551 209 HE ARG 33 HE ARG 33 10.378 2.089 3.081 210 HH11 ARG 33 HH11 ARG 33 13.059 3.964 1.804 211 HH12 ARG 33 HH12 ARG 33 13.057 5.081 3.127 212 HH21 ARG 33 HH21 ARG 33 10.395 3.563 4.803 213 HH22 ARG 33 HH22 ARG 33 11.550 4.853 4.823 214 H ALA 34 HN ALA 34 10.593 -2.113 -2.490 215 HA ALA 34 HA ALA 34 12.364 -1.301 -4.697 216 HB1 ALA 34 HB1 ALA 34 13.469 -2.914 -3.222 217 HB2 ALA 34 HB2 ALA 34 13.187 -3.587 -4.829 218 HB3 ALA 34 HB3 ALA 34 12.146 -4.051 -3.483 219 H ASN 35 HN ASN 35 9.368 -2.696 -3.745 220 HA ASN 35 HA ASN 35 8.767 -3.712 -6.413 221 HB2 ASN 35 HB2 ASN 35 7.318 -3.883 -3.774 222 HB3 ASN 35 HB1 ASN 35 6.554 -4.364 -5.285 223 HD21 ASN 35 HD21 ASN 35 7.311 -6.176 -6.377 224 HD22 ASN 35 HD22 ASN 35 8.319 -7.353 -5.612 225 H GLY 36 HN GLY 36 8.322 -0.863 -4.588 226 HA2 GLY 36 HA2 GLY 36 7.583 1.166 -5.564 227 HA3 GLY 36 HA1 GLY 36 6.622 0.241 -6.704 228 H CYS 37 HN CYS 37 6.631 1.996 -3.804 229 HA CYS 37 HA CYS 37 4.136 0.916 -2.784 230 HB2 CYS 37 HB2 CYS 37 4.452 2.983 -1.175 231 HB3 CYS 37 HB1 CYS 37 5.479 1.566 -0.996 232 H GLN 38 HN GLN 38 2.335 2.561 -2.212 233 HA GLN 38 HA GLN 38 1.866 4.170 -4.635 234 HB2 GLN 38 HB2 GLN 38 -0.307 3.248 -2.769 235 HB3 GLN 38 HB1 GLN 38 -0.442 3.740 -4.450 236 HG2 GLN 38 HG2 GLN 38 1.072 1.283 -3.624 237 HG3 GLN 38 HG1 GLN 38 -0.664 1.263 -3.919 238 HE21 GLN 38 HE21 GLN 38 -1.440 1.563 -6.015 239 HE22 GLN 38 HE22 GLN 38 -0.422 1.398 -7.401 240 H SER 39 HN SER 39 0.661 4.251 -1.246 241 HA SER 39 HA SER 39 0.178 7.038 -1.282 242 HB2 SER 39 HB2 SER 39 0.130 4.842 0.702 243 HB3 SER 39 HB1 SER 39 0.192 6.485 1.335 244 HG SER 39 HG SER 39 -1.948 5.967 1.079 245 H ASN 40 HN ASN 40 1.100 8.271 0.844 246 HA ASN 40 HA ASN 40 3.657 9.150 0.178 247 HB2 ASN 40 HB2 ASN 40 1.774 10.252 1.594 248 HB3 ASN 40 HB1 ASN 40 2.559 9.458 2.956 249 HD21 ASN 40 HD21 ASN 40 4.598 10.131 3.600 250 HD22 ASN 40 HD22 ASN 40 5.284 11.630 3.080 251 H CYS 41 HN CYS 41 5.076 7.487 0.007 252 HA CYS 41 HA CYS 41 5.952 6.188 2.510 253 HB2 CYS 41 HB2 CYS 41 6.889 4.413 0.978 254 HB3 CYS 41 HB1 CYS 41 5.137 4.531 0.950 255 H ARG 42 HN ARG 42 8.223 5.798 2.762 256 HA ARG 42 HA ARG 42 10.430 6.299 2.797 257 HB2 ARG 42 HB2 ARG 42 9.931 7.152 -0.056 258 HB3 ARG 42 HB1 ARG 42 11.526 7.125 0.682 259 HG2 ARG 42 HG2 ARG 42 11.494 4.778 0.911 260 HG3 ARG 42 HG1 ARG 42 9.764 4.693 0.577 261 HD2 ARG 42 HD2 ARG 42 11.803 5.646 -1.427 262 HD3 ARG 42 HD1 ARG 42 11.271 3.969 -1.305 263 HE ARG 42 HE ARG 42 9.016 5.627 -1.551 264 HH11 ARG 42 HH11 ARG 42 11.709 4.507 -3.509 265 HH12 ARG 42 HH12 ARG 42 10.834 4.649 -4.997 266 HH21 ARG 42 HH21 ARG 42 7.891 5.805 -3.510 267 HH22 ARG 42 HH22 ARG 42 8.675 5.384 -4.996 268 H GLY 43 HN GLY 43 8.150 8.776 2.315 269 HA2 GLY 43 HA2 GLY 43 9.600 10.634 3.889 270 HA3 GLY 43 HA1 GLY 43 9.686 11.095 2.196 Start of MODEL 17 1 H1 GLN 1 HT1 GLN 1 -4.898 -1.938 10.370 2 H2 GLN 1 HT2 GLN 1 -6.145 -0.806 10.521 3 H3 GLN 1 HT3 GLN 1 -4.566 -0.387 10.958 4 HA GLN 1 HA GLN 1 -3.828 -0.587 8.689 5 HB2 GLN 1 HB2 GLN 1 -6.716 -1.340 8.227 6 HB3 GLN 1 HB1 GLN 1 -5.666 -0.792 6.929 7 HG2 GLN 1 HG2 GLN 1 -5.557 -3.095 6.757 8 HG3 GLN 1 HG1 GLN 1 -4.105 -2.700 7.676 9 HE21 GLN 1 HE21 GLN 1 -7.277 -4.115 7.786 10 HE22 GLN 1 HE22 GLN 1 -7.097 -4.902 9.313 11 H ASN 2 HN ASN 2 -3.606 1.308 7.619 12 HA ASN 2 HA ASN 2 -5.203 3.556 8.580 13 HB2 ASN 2 HB2 ASN 2 -2.450 3.253 7.523 14 HB3 ASN 2 HB1 ASN 2 -3.280 4.729 7.049 15 HD21 ASN 2 HD21 ASN 2 -3.765 6.262 8.584 16 HD22 ASN 2 HD22 ASN 2 -3.125 6.222 10.188 17 H CYS 3 HN CYS 3 -4.755 1.659 5.729 18 HA CYS 3 HA CYS 3 -6.844 2.933 4.303 19 HB2 CYS 3 HB2 CYS 3 -5.460 4.740 3.806 20 HB3 CYS 3 HB1 CYS 3 -4.021 3.743 3.741 21 H GLY 4 HN GLY 4 -6.689 2.235 1.843 22 HA2 GLY 4 HA2 GLY 4 -5.395 0.313 0.621 23 HA3 GLY 4 HA1 GLY 4 -6.202 -0.644 1.845 24 H ARG 5 HN ARG 5 -8.032 -1.546 1.238 25 HA ARG 5 HA ARG 5 -9.726 -0.171 -0.740 26 HB2 ARG 5 HB2 ARG 5 -9.213 -3.150 -0.656 27 HB3 ARG 5 HB1 ARG 5 -10.260 -2.309 -1.791 28 HG2 ARG 5 HG2 ARG 5 -8.186 -1.031 -2.508 29 HG3 ARG 5 HG1 ARG 5 -7.272 -2.241 -1.606 30 HD2 ARG 5 HD2 ARG 5 -7.297 -3.046 -3.812 31 HD3 ARG 5 HD1 ARG 5 -8.543 -3.977 -2.984 32 HE ARG 5 HE ARG 5 -9.629 -1.657 -4.223 33 HH11 ARG 5 HH11 ARG 5 -8.537 -4.915 -4.949 34 HH12 ARG 5 HH12 ARG 5 -9.543 -5.063 -6.351 35 HH21 ARG 5 HH21 ARG 5 -10.939 -1.874 -6.061 36 HH22 ARG 5 HH22 ARG 5 -10.902 -3.343 -6.978 37 H GLN 6 HN GLN 6 -9.395 -1.947 2.133 38 HA GLN 6 HA GLN 6 -12.248 -2.496 2.447 39 HB2 GLN 6 HB2 GLN 6 -9.832 -3.227 4.091 40 HB3 GLN 6 HB1 GLN 6 -11.472 -3.521 4.648 41 HG2 GLN 6 HG2 GLN 6 -11.879 -4.930 2.686 42 HG3 GLN 6 HG1 GLN 6 -10.223 -4.648 2.151 43 HE21 GLN 6 HE21 GLN 6 -8.523 -5.604 3.271 44 HE22 GLN 6 HE22 GLN 6 -8.767 -6.918 4.364 45 H ALA 7 HN ALA 7 -9.907 -0.185 3.449 46 HA ALA 7 HA ALA 7 -11.450 0.796 5.710 47 HB1 ALA 7 HB1 ALA 7 -9.003 0.754 5.822 48 HB2 ALA 7 HB2 ALA 7 -9.627 2.396 5.986 49 HB3 ALA 7 HB3 ALA 7 -8.922 1.869 4.457 50 H GLY 8 HN GLY 8 -12.221 0.950 2.685 51 HA2 GLY 8 HA2 GLY 8 -13.823 2.384 1.721 52 HA3 GLY 8 HA1 GLY 8 -13.328 3.653 2.832 53 H ASN 9 HN ASN 9 -10.750 2.016 1.354 54 HA ASN 9 HA ASN 9 -9.095 2.611 -0.049 55 HB2 ASN 9 HB2 ASN 9 -11.457 3.569 -1.682 56 HB3 ASN 9 HB1 ASN 9 -9.809 3.544 -2.300 57 HD21 ASN 9 HD21 ASN 9 -8.804 1.570 -2.691 58 HD22 ASN 9 HD22 ASN 9 -9.697 0.096 -2.813 59 H ARG 10 HN ARG 10 -8.613 4.133 1.783 60 HA ARG 10 HA ARG 10 -8.868 6.969 1.120 61 HB2 ARG 10 HB2 ARG 10 -7.948 5.461 3.569 62 HB3 ARG 10 HB1 ARG 10 -7.697 7.192 3.412 63 HG2 ARG 10 HG2 ARG 10 -10.122 7.507 3.172 64 HG3 ARG 10 HG1 ARG 10 -10.351 5.771 3.389 65 HD2 ARG 10 HD2 ARG 10 -9.351 5.910 5.611 66 HD3 ARG 10 HD1 ARG 10 -9.090 7.640 5.393 67 HE ARG 10 HE ARG 10 -11.827 6.953 5.043 68 HH11 ARG 10 HH11 ARG 10 -9.426 7.501 7.547 69 HH12 ARG 10 HH12 ARG 10 -10.602 7.957 8.735 70 HH21 ARG 10 HH21 ARG 10 -12.821 7.985 8.204 71 HH22 ARG 10 HH22 ARG 10 -13.348 7.552 6.612 72 H ALA 11 HN ALA 11 -6.346 7.680 2.527 73 HA ALA 11 HA ALA 11 -4.252 6.537 0.843 74 HB1 ALA 11 HB1 ALA 11 -5.077 8.458 -0.432 75 HB2 ALA 11 HB2 ALA 11 -3.426 8.714 0.130 76 HB3 ALA 11 HB3 ALA 11 -4.770 9.507 0.952 77 H CYS 12 HN CYS 12 -2.221 6.557 1.778 78 HA CYS 12 HA CYS 12 -2.125 7.533 4.553 79 HB2 CYS 12 HB2 CYS 12 -0.539 5.378 3.152 80 HB3 CYS 12 HB1 CYS 12 -0.188 5.940 4.783 81 H ALA 13 HN ALA 13 -1.191 9.435 4.778 82 HA ALA 13 HA ALA 13 1.394 9.944 3.500 83 HB1 ALA 13 HB1 ALA 13 -0.283 10.968 2.039 84 HB2 ALA 13 HB2 ALA 13 0.747 12.180 2.798 85 HB3 ALA 13 HB3 ALA 13 -0.888 11.911 3.401 86 H ASN 14 HN ASN 14 0.230 9.422 6.293 87 HA ASN 14 HA ASN 14 0.961 11.874 7.679 88 HB2 ASN 14 HB2 ASN 14 -0.303 9.315 8.638 89 HB3 ASN 14 HB1 ASN 14 0.197 10.599 9.732 90 HD21 ASN 14 HD21 ASN 14 -0.916 12.552 9.728 91 HD22 ASN 14 HD22 ASN 14 -2.480 12.714 9.012 92 H GLN 15 HN GLN 15 1.747 8.444 8.096 93 HA GLN 15 HA GLN 15 4.553 9.112 8.522 94 HB2 GLN 15 HB2 GLN 15 2.829 7.715 10.558 95 HB3 GLN 15 HB1 GLN 15 4.576 7.528 10.537 96 HG2 GLN 15 HG2 GLN 15 4.841 9.936 10.846 97 HG3 GLN 15 HG1 GLN 15 3.087 10.125 10.864 98 HE21 GLN 15 HE21 GLN 15 5.870 8.984 12.600 99 HE22 GLN 15 HE22 GLN 15 5.092 8.794 14.132 100 H LEU 16 HN LEU 16 2.109 6.651 8.111 101 HA LEU 16 HA LEU 16 4.139 4.779 7.124 102 HB2 LEU 16 HB2 LEU 16 2.393 3.007 7.410 103 HB3 LEU 16 HB1 LEU 16 2.861 3.787 8.902 104 HG LEU 16 HG LEU 16 0.349 4.567 7.426 105 HD11 LEU 16 HD11 LEU 16 0.778 2.354 9.418 106 HD12 LEU 16 HD12 LEU 16 0.085 2.240 7.799 107 HD13 LEU 16 HD13 LEU 16 -0.801 3.061 9.084 108 HD21 LEU 16 HD21 LEU 16 1.335 4.910 10.256 109 HD22 LEU 16 HD22 LEU 16 -0.348 5.148 9.792 110 HD23 LEU 16 HD23 LEU 16 0.908 6.167 9.096 111 H CYS 17 HN CYS 17 2.766 3.141 5.436 112 HA CYS 17 HA CYS 17 1.728 4.946 3.363 113 HB2 CYS 17 HB2 CYS 17 3.136 2.754 2.155 114 HB3 CYS 17 HB1 CYS 17 3.397 4.477 1.948 115 H CYS 18 HN CYS 18 0.253 4.220 1.978 116 HA CYS 18 HA CYS 18 -1.262 1.881 2.788 117 HB2 CYS 18 HB2 CYS 18 -2.383 4.042 2.441 118 HB3 CYS 18 HB1 CYS 18 -1.864 4.026 0.771 119 H SER 19 HN SER 19 -2.139 0.424 1.307 120 HA SER 19 HA SER 19 -0.722 0.068 -1.227 121 HB2 SER 19 HB2 SER 19 -0.210 -1.493 0.855 122 HB3 SER 19 HB1 SER 19 -1.635 -2.327 0.250 123 HG SER 19 HG SER 19 -0.476 -3.075 -1.325 124 H GLN 20 HN GLN 20 -2.021 -1.452 -2.731 125 HA GLN 20 HA GLN 20 -4.827 -0.651 -2.542 126 HB2 GLN 20 HB2 GLN 20 -3.063 -1.426 -4.833 127 HB3 GLN 20 HB1 GLN 20 -4.809 -1.537 -4.999 128 HG2 GLN 20 HG2 GLN 20 -4.932 0.869 -4.306 129 HG3 GLN 20 HG1 GLN 20 -3.174 0.918 -4.424 130 HE21 GLN 20 HE21 GLN 20 -6.163 0.643 -6.176 131 HE22 GLN 20 HE22 GLN 20 -5.508 0.947 -7.745 132 H TYR 21 HN TYR 21 -5.133 -2.298 -0.846 133 HA TYR 21 HA TYR 21 -6.641 -4.435 -1.768 134 HB2 TYR 21 HB2 TYR 21 -5.381 -6.435 -1.143 135 HB3 TYR 21 HB1 TYR 21 -4.517 -5.541 -2.379 136 HD1 TYR 21 HD1 TYR 21 -4.468 -6.750 1.058 137 HD2 TYR 21 HD2 TYR 21 -2.395 -4.412 -1.832 138 HE1 TYR 21 HE1 TYR 21 -2.423 -6.911 2.400 139 HE2 TYR 21 HE2 TYR 21 -0.343 -4.565 -0.488 140 HH TYR 21 HH TYR 21 0.010 -6.741 2.085 141 H GLY 22 HN GLY 22 -5.013 -2.819 0.798 142 HA2 GLY 22 HA2 GLY 22 -6.665 -2.331 2.661 143 HA3 GLY 22 HA1 GLY 22 -6.853 -4.066 2.745 144 H PHE 23 HN PHE 23 -3.781 -2.318 2.309 145 HA PHE 23 HA PHE 23 -3.090 -2.883 5.079 146 HB2 PHE 23 HB2 PHE 23 -2.355 -4.759 3.333 147 HB3 PHE 23 HB1 PHE 23 -1.002 -3.661 3.115 148 HD1 PHE 23 HD1 PHE 23 -1.079 -6.548 4.220 149 HD2 PHE 23 HD2 PHE 23 -0.950 -2.729 6.102 150 HE1 PHE 23 HE1 PHE 23 -0.003 -7.555 6.188 151 HE2 PHE 23 HE2 PHE 23 0.126 -3.734 8.072 152 HZ PHE 23 HZ PHE 23 0.602 -6.148 8.115 153 H CYS 24 HN CYS 24 -2.429 -1.036 5.884 154 HA CYS 24 HA CYS 24 -0.464 0.545 4.380 155 HB2 CYS 24 HB2 CYS 24 -2.588 1.764 4.601 156 HB3 CYS 24 HB1 CYS 24 -2.543 1.534 6.341 157 H GLY 25 HN GLY 25 1.482 0.670 5.299 158 HA2 GLY 25 HA2 GLY 25 1.895 0.831 8.123 159 HA3 GLY 25 HA1 GLY 25 2.302 -0.759 7.501 160 H SER 26 HN SER 26 4.473 -0.792 7.649 161 HA SER 26 HA SER 26 5.965 1.240 6.125 162 HB2 SER 26 HB2 SER 26 6.644 0.146 8.851 163 HB3 SER 26 HB1 SER 26 7.772 1.065 7.856 164 HG SER 26 HG SER 26 6.583 2.857 8.128 165 H THR 27 HN THR 27 5.517 -2.052 6.967 166 HA THR 27 HA THR 27 7.977 -3.202 6.343 167 HB THR 27 HB THR 27 5.381 -4.586 5.758 168 HG1 THR 27 HG1 THR 27 4.839 -4.000 7.734 169 HG21 THR 27 HG21 THR 27 7.968 -5.545 6.998 170 HG22 THR 27 HG22 THR 27 7.444 -5.855 5.343 171 HG23 THR 27 HG23 THR 27 6.543 -6.540 6.695 172 H SER 28 HN SER 28 8.517 -4.581 4.478 173 HA SER 28 HA SER 28 8.245 -3.102 2.028 174 HB2 SER 28 HB2 SER 28 9.745 -5.641 2.665 175 HB3 SER 28 HB1 SER 28 9.848 -4.765 1.138 176 HG SER 28 HG SER 28 10.257 -3.169 3.317 177 H GLU 29 HN GLU 29 5.876 -3.539 2.103 178 HA GLU 29 HA GLU 29 5.212 -5.529 0.115 179 HB2 GLU 29 HB2 GLU 29 4.003 -5.595 2.890 180 HB3 GLU 29 HB1 GLU 29 3.170 -6.266 1.498 181 HG2 GLU 29 HG2 GLU 29 5.934 -7.152 2.249 182 HG3 GLU 29 HG1 GLU 29 4.499 -7.856 2.992 183 H TYR 30 HN TYR 30 4.193 -3.098 2.377 184 HA TYR 30 HA TYR 30 2.212 -2.024 0.529 185 HB2 TYR 30 HB2 TYR 30 2.307 -0.490 2.918 186 HB3 TYR 30 HB1 TYR 30 1.041 -1.586 2.401 187 HD1 TYR 30 HD1 TYR 30 1.445 -4.131 2.958 188 HD2 TYR 30 HD2 TYR 30 3.431 -0.911 4.910 189 HE1 TYR 30 HE1 TYR 30 1.911 -5.591 4.877 190 HE2 TYR 30 HE2 TYR 30 3.896 -2.367 6.833 191 HH TYR 30 HH TYR 30 3.008 -4.411 7.860 192 H CYS 31 HN CYS 31 5.231 -1.288 2.075 193 HA CYS 31 HA CYS 31 5.398 1.257 0.611 194 HB2 CYS 31 HB2 CYS 31 7.130 0.434 2.949 195 HB3 CYS 31 HB1 CYS 31 6.969 2.037 2.252 196 H SER 32 HN SER 32 5.780 -0.480 -1.152 197 HA SER 32 HA SER 32 8.526 -1.490 -1.146 198 HB2 SER 32 HB2 SER 32 6.511 -2.892 -1.852 199 HB3 SER 32 HB1 SER 32 6.492 -1.923 -3.327 200 HG SER 32 HG SER 32 8.564 -3.603 -2.372 201 H ARG 33 HN ARG 33 10.133 -0.490 -2.079 202 HA ARG 33 HA ARG 33 9.618 1.739 -3.901 203 HB2 ARG 33 HB2 ARG 33 11.135 1.872 -1.807 204 HB3 ARG 33 HB1 ARG 33 12.303 0.968 -2.755 205 HG2 ARG 33 HG2 ARG 33 12.992 3.156 -3.050 206 HG3 ARG 33 HG1 ARG 33 12.016 2.873 -4.492 207 HD2 ARG 33 HD2 ARG 33 10.114 3.985 -3.424 208 HD3 ARG 33 HD1 ARG 33 11.077 4.247 -1.971 209 HE ARG 33 HE ARG 33 12.434 5.365 -4.152 210 HH11 ARG 33 HH11 ARG 33 9.515 5.951 -2.290 211 HH12 ARG 33 HH12 ARG 33 9.523 7.656 -2.598 212 HH21 ARG 33 HH21 ARG 33 12.425 7.599 -4.540 213 HH22 ARG 33 HH22 ARG 33 11.171 8.587 -3.870 214 H ALA 34 HN ALA 34 10.770 -1.492 -3.870 215 HA ALA 34 HA ALA 34 12.126 -1.279 -6.439 216 HB1 ALA 34 HB1 ALA 34 12.771 -3.598 -6.091 217 HB2 ALA 34 HB2 ALA 34 11.748 -3.679 -4.658 218 HB3 ALA 34 HB3 ALA 34 13.162 -2.624 -4.674 219 H ASN 35 HN ASN 35 9.164 -2.454 -5.062 220 HA ASN 35 HA ASN 35 8.339 -3.666 -7.590 221 HB2 ASN 35 HB2 ASN 35 7.157 -3.783 -4.819 222 HB3 ASN 35 HB1 ASN 35 6.324 -4.417 -6.234 223 HD21 ASN 35 HD21 ASN 35 7.131 -6.243 -7.267 224 HD22 ASN 35 HD22 ASN 35 8.276 -7.293 -6.512 225 H GLY 36 HN GLY 36 7.517 -1.070 -5.389 226 HA2 GLY 36 HA2 GLY 36 6.738 0.980 -6.590 227 HA3 GLY 36 HA1 GLY 36 5.565 -0.072 -7.364 228 H CYS 37 HN CYS 37 5.962 2.166 -5.019 229 HA CYS 37 HA CYS 37 4.258 1.147 -2.942 230 HB2 CYS 37 HB2 CYS 37 5.271 3.914 -3.610 231 HB3 CYS 37 HB1 CYS 37 4.275 3.566 -2.205 232 H GLN 38 HN GLN 38 2.153 2.263 -2.337 233 HA GLN 38 HA GLN 38 0.672 2.889 -4.802 234 HB2 GLN 38 HB2 GLN 38 -0.470 1.974 -2.154 235 HB3 GLN 38 HB1 GLN 38 -1.348 2.166 -3.662 236 HG2 GLN 38 HG2 GLN 38 0.892 0.183 -3.238 237 HG3 GLN 38 HG1 GLN 38 -0.819 -0.203 -3.102 238 HE21 GLN 38 HE21 GLN 38 1.762 0.639 -5.273 239 HE22 GLN 38 HE22 GLN 38 0.961 0.169 -6.731 240 H SER 39 HN SER 39 0.638 3.752 -1.308 241 HA SER 39 HA SER 39 -0.043 6.500 -2.114 242 HB2 SER 39 HB2 SER 39 -1.394 5.337 -0.349 243 HB3 SER 39 HB1 SER 39 0.032 5.369 0.688 244 HG SER 39 HG SER 39 -1.470 7.547 -0.318 245 H ASN 40 HN ASN 40 0.972 8.100 -0.268 246 HA ASN 40 HA ASN 40 3.653 8.452 -0.989 247 HB2 ASN 40 HB2 ASN 40 1.832 10.073 0.032 248 HB3 ASN 40 HB1 ASN 40 2.600 9.622 1.549 249 HD21 ASN 40 HD21 ASN 40 2.998 11.251 -1.494 250 HD22 ASN 40 HD22 ASN 40 4.453 12.090 -1.087 251 H CYS 41 HN CYS 41 4.821 6.573 -0.588 252 HA CYS 41 HA CYS 41 5.075 5.621 2.131 253 HB2 CYS 41 HB2 CYS 41 6.407 3.794 1.214 254 HB3 CYS 41 HB1 CYS 41 4.943 3.985 0.264 255 H ARG 42 HN ARG 42 7.456 6.549 -0.312 256 HA ARG 42 HA ARG 42 9.064 7.810 1.806 257 HB2 ARG 42 HB2 ARG 42 10.056 6.121 -0.493 258 HB3 ARG 42 HB1 ARG 42 11.105 7.111 0.511 259 HG2 ARG 42 HG2 ARG 42 11.354 5.116 1.576 260 HG3 ARG 42 HG1 ARG 42 9.946 5.722 2.451 261 HD2 ARG 42 HD2 ARG 42 8.560 4.505 0.668 262 HD3 ARG 42 HD1 ARG 42 10.059 3.671 0.259 263 HE ARG 42 HE ARG 42 8.695 3.527 2.868 264 HH11 ARG 42 HH11 ARG 42 10.865 2.115 0.490 265 HH12 ARG 42 HH12 ARG 42 11.044 0.633 1.367 266 HH21 ARG 42 HH21 ARG 42 8.951 1.579 3.998 267 HH22 ARG 42 HH22 ARG 42 9.961 0.330 3.350 268 H GLY 43 HN GLY 43 7.839 7.944 -1.419 269 HA2 GLY 43 HA2 GLY 43 7.847 10.656 -1.744 270 HA3 GLY 43 HA1 GLY 43 9.440 10.164 -2.300 Start of MODEL 18 1 H1 GLN 1 HT1 GLN 1 -2.908 -0.586 10.539 2 H2 GLN 1 HT2 GLN 1 -3.498 -2.152 10.294 3 H3 GLN 1 HT3 GLN 1 -4.459 -0.999 11.076 4 HA GLN 1 HA GLN 1 -3.565 -0.874 8.255 5 HB2 GLN 1 HB2 GLN 1 -6.200 -1.619 9.521 6 HB3 GLN 1 HB1 GLN 1 -6.077 -1.106 7.845 7 HG2 GLN 1 HG2 GLN 1 -4.632 -2.973 7.340 8 HG3 GLN 1 HG1 GLN 1 -4.625 -3.459 9.034 9 HE21 GLN 1 HE21 GLN 1 -6.458 -4.415 9.918 10 HE22 GLN 1 HE22 GLN 1 -7.721 -5.063 8.934 11 H ASN 2 HN ASN 2 -3.847 1.017 7.245 12 HA ASN 2 HA ASN 2 -5.260 3.170 8.672 13 HB2 ASN 2 HB2 ASN 2 -2.489 3.071 7.795 14 HB3 ASN 2 HB1 ASN 2 -3.338 4.433 7.073 15 HD21 ASN 2 HD21 ASN 2 -2.346 2.931 10.065 16 HD22 ASN 2 HD22 ASN 2 -2.540 4.329 11.060 17 H CYS 3 HN CYS 3 -4.684 1.532 5.690 18 HA CYS 3 HA CYS 3 -6.891 2.743 4.374 19 HB2 CYS 3 HB2 CYS 3 -5.714 4.642 3.834 20 HB3 CYS 3 HB1 CYS 3 -4.165 3.833 3.928 21 H GLY 4 HN GLY 4 -6.716 2.175 1.863 22 HA2 GLY 4 HA2 GLY 4 -5.377 0.418 0.506 23 HA3 GLY 4 HA1 GLY 4 -6.002 -0.665 1.731 24 H ARG 5 HN ARG 5 -7.901 -1.612 1.364 25 HA ARG 5 HA ARG 5 -9.746 -0.421 -0.596 26 HB2 ARG 5 HB2 ARG 5 -9.105 -3.371 -0.417 27 HB3 ARG 5 HB1 ARG 5 -10.208 -2.609 -1.553 28 HG2 ARG 5 HG2 ARG 5 -8.209 -1.317 -2.407 29 HG3 ARG 5 HG1 ARG 5 -7.218 -2.420 -1.451 30 HD2 ARG 5 HD2 ARG 5 -8.129 -4.321 -2.668 31 HD3 ARG 5 HD1 ARG 5 -9.174 -3.246 -3.596 32 HE ARG 5 HE ARG 5 -6.508 -2.426 -3.916 33 HH11 ARG 5 HH11 ARG 5 -8.591 -5.090 -4.866 34 HH12 ARG 5 HH12 ARG 5 -7.693 -5.426 -6.309 35 HH21 ARG 5 HH21 ARG 5 -5.351 -2.884 -5.810 36 HH22 ARG 5 HH22 ARG 5 -5.861 -4.177 -6.841 37 H GLN 6 HN GLN 6 -9.192 -2.062 2.331 38 HA GLN 6 HA GLN 6 -11.947 -2.854 2.793 39 HB2 GLN 6 HB2 GLN 6 -9.443 -3.079 4.450 40 HB3 GLN 6 HB1 GLN 6 -11.025 -3.526 5.072 41 HG2 GLN 6 HG2 GLN 6 -11.255 -5.182 3.284 42 HG3 GLN 6 HG1 GLN 6 -9.660 -4.737 2.676 43 HE21 GLN 6 HE21 GLN 6 -7.829 -5.326 3.840 44 HE22 GLN 6 HE22 GLN 6 -7.874 -6.537 5.072 45 H ALA 7 HN ALA 7 -9.859 -0.224 3.634 46 HA ALA 7 HA ALA 7 -11.602 0.792 5.728 47 HB1 ALA 7 HB1 ALA 7 -9.168 0.966 5.965 48 HB2 ALA 7 HB2 ALA 7 -9.934 2.554 5.976 49 HB3 ALA 7 HB3 ALA 7 -9.103 1.986 4.527 50 H GLY 8 HN GLY 8 -12.176 0.656 2.648 51 HA2 GLY 8 HA2 GLY 8 -13.815 1.858 1.463 52 HA3 GLY 8 HA1 GLY 8 -13.555 3.229 2.532 53 H ASN 9 HN ASN 9 -10.768 1.708 1.243 54 HA ASN 9 HA ASN 9 -9.077 2.375 -0.086 55 HB2 ASN 9 HB2 ASN 9 -11.030 1.890 -1.757 56 HB3 ASN 9 HB1 ASN 9 -11.030 3.634 -1.994 57 HD21 ASN 9 HD21 ASN 9 -9.259 4.617 -2.971 58 HD22 ASN 9 HD22 ASN 9 -8.085 3.716 -3.862 59 H ARG 10 HN ARG 10 -8.574 3.866 1.651 60 HA ARG 10 HA ARG 10 -8.985 6.707 1.065 61 HB2 ARG 10 HB2 ARG 10 -8.025 5.195 3.495 62 HB3 ARG 10 HB1 ARG 10 -7.836 6.937 3.367 63 HG2 ARG 10 HG2 ARG 10 -10.266 7.173 3.127 64 HG3 ARG 10 HG1 ARG 10 -10.440 5.425 3.295 65 HD2 ARG 10 HD2 ARG 10 -9.451 5.539 5.527 66 HD3 ARG 10 HD1 ARG 10 -9.261 7.284 5.358 67 HE ARG 10 HE ARG 10 -11.962 6.559 4.956 68 HH11 ARG 10 HH11 ARG 10 -9.615 6.897 7.547 69 HH12 ARG 10 HH12 ARG 10 -10.819 7.219 8.749 70 HH21 ARG 10 HH21 ARG 10 -13.026 7.266 8.183 71 HH22 ARG 10 HH22 ARG 10 -13.519 6.982 6.548 72 H ALA 11 HN ALA 11 -6.560 7.601 2.411 73 HA ALA 11 HA ALA 11 -4.372 6.513 0.807 74 HB1 ALA 11 HB1 ALA 11 -5.287 8.341 -0.541 75 HB2 ALA 11 HB2 ALA 11 -3.661 8.711 0.035 76 HB3 ALA 11 HB3 ALA 11 -5.062 9.449 0.812 77 H CYS 12 HN CYS 12 -2.404 6.578 1.819 78 HA CYS 12 HA CYS 12 -2.392 7.682 4.543 79 HB2 CYS 12 HB2 CYS 12 -0.743 5.530 3.221 80 HB3 CYS 12 HB1 CYS 12 -0.319 6.212 4.787 81 H ALA 13 HN ALA 13 -1.459 9.567 4.839 82 HA ALA 13 HA ALA 13 1.048 10.208 3.472 83 HB1 ALA 13 HB1 ALA 13 -0.721 11.196 2.100 84 HB2 ALA 13 HB2 ALA 13 0.289 12.432 2.849 85 HB3 ALA 13 HB3 ALA 13 -1.311 12.085 3.506 86 H ASN 14 HN ASN 14 0.093 9.547 6.285 87 HA ASN 14 HA ASN 14 0.714 12.002 7.719 88 HB2 ASN 14 HB2 ASN 14 -1.194 10.323 8.305 89 HB3 ASN 14 HB1 ASN 14 0.095 9.401 9.070 90 HD21 ASN 14 HD21 ASN 14 -1.790 12.315 9.154 91 HD22 ASN 14 HD22 ASN 14 -1.338 12.805 10.747 92 H GLN 15 HN GLN 15 1.720 8.639 8.209 93 HA GLN 15 HA GLN 15 4.521 9.458 8.336 94 HB2 GLN 15 HB2 GLN 15 3.044 8.088 10.575 95 HB3 GLN 15 HB1 GLN 15 4.793 8.004 10.420 96 HG2 GLN 15 HG2 GLN 15 4.927 10.437 10.584 97 HG3 GLN 15 HG1 GLN 15 3.173 10.524 10.733 98 HE21 GLN 15 HE21 GLN 15 2.188 9.837 12.634 99 HE22 GLN 15 HE22 GLN 15 3.076 9.617 14.100 100 H LEU 16 HN LEU 16 2.162 6.896 8.194 101 HA LEU 16 HA LEU 16 4.194 5.002 7.269 102 HB2 LEU 16 HB2 LEU 16 2.353 3.283 7.516 103 HB3 LEU 16 HB1 LEU 16 2.898 4.020 9.002 104 HG LEU 16 HG LEU 16 0.417 5.000 7.609 105 HD11 LEU 16 HD11 LEU 16 0.690 2.669 9.493 106 HD12 LEU 16 HD12 LEU 16 0.024 2.661 7.859 107 HD13 LEU 16 HD13 LEU 16 -0.832 3.487 9.161 108 HD21 LEU 16 HD21 LEU 16 -0.223 5.559 9.960 109 HD22 LEU 16 HD22 LEU 16 1.194 6.433 9.383 110 HD23 LEU 16 HD23 LEU 16 1.390 5.058 10.469 111 H CYS 17 HN CYS 17 2.679 3.298 5.640 112 HA CYS 17 HA CYS 17 1.641 5.005 3.531 113 HB2 CYS 17 HB2 CYS 17 3.131 3.485 1.924 114 HB3 CYS 17 HB1 CYS 17 3.732 4.998 2.597 115 H CYS 18 HN CYS 18 0.239 4.298 2.249 116 HA CYS 18 HA CYS 18 -0.970 1.694 2.720 117 HB2 CYS 18 HB2 CYS 18 -2.331 3.692 2.959 118 HB3 CYS 18 HB1 CYS 18 -1.931 4.184 1.323 119 H SER 19 HN SER 19 -1.799 0.441 1.042 120 HA SER 19 HA SER 19 -0.797 0.891 -1.669 121 HB2 SER 19 HB2 SER 19 -0.289 -1.554 -1.886 122 HB3 SER 19 HB1 SER 19 0.759 -0.739 -0.725 123 HG SER 19 HG SER 19 0.060 -2.106 0.694 124 H GLN 20 HN GLN 20 -2.018 -0.443 -3.305 125 HA GLN 20 HA GLN 20 -4.837 -0.337 -2.729 126 HB2 GLN 20 HB2 GLN 20 -3.263 -1.087 -5.192 127 HB3 GLN 20 HB1 GLN 20 -5.014 -1.232 -5.128 128 HG2 GLN 20 HG2 GLN 20 -5.173 1.173 -4.638 129 HG3 GLN 20 HG1 GLN 20 -3.420 1.298 -4.772 130 HE21 GLN 20 HE21 GLN 20 -6.402 0.828 -6.488 131 HE22 GLN 20 HE22 GLN 20 -5.769 1.088 -8.073 132 H TYR 21 HN TYR 21 -4.933 -1.878 -1.032 133 HA TYR 21 HA TYR 21 -5.597 -4.531 -1.884 134 HB2 TYR 21 HB2 TYR 21 -3.324 -5.108 -1.712 135 HB3 TYR 21 HB1 TYR 21 -3.055 -4.030 -0.353 136 HD1 TYR 21 HD1 TYR 21 -3.297 -4.800 1.892 137 HD2 TYR 21 HD2 TYR 21 -4.463 -7.295 -1.346 138 HE1 TYR 21 HE1 TYR 21 -3.488 -6.711 3.435 139 HE2 TYR 21 HE2 TYR 21 -4.659 -9.210 0.183 140 HH TYR 21 HH TYR 21 -4.650 -8.867 3.561 141 H GLY 22 HN GLY 22 -4.578 -2.866 1.047 142 HA2 GLY 22 HA2 GLY 22 -6.797 -2.253 2.385 143 HA3 GLY 22 HA1 GLY 22 -6.787 -3.995 2.568 144 H PHE 23 HN PHE 23 -3.674 -2.600 2.350 145 HA PHE 23 HA PHE 23 -3.422 -2.537 5.266 146 HB2 PHE 23 HB2 PHE 23 -2.533 -4.669 3.955 147 HB3 PHE 23 HB1 PHE 23 -1.140 -3.632 3.703 148 HD1 PHE 23 HD1 PHE 23 -1.932 -6.279 5.470 149 HD2 PHE 23 HD2 PHE 23 -0.854 -2.234 6.269 150 HE1 PHE 23 HE1 PHE 23 -1.097 -6.939 7.685 151 HE2 PHE 23 HE2 PHE 23 -0.020 -2.894 8.485 152 HZ PHE 23 HZ PHE 23 -0.138 -5.248 9.195 153 H CYS 24 HN CYS 24 -2.371 -0.876 6.068 154 HA CYS 24 HA CYS 24 -0.432 0.602 4.439 155 HB2 CYS 24 HB2 CYS 24 -2.457 1.926 4.449 156 HB3 CYS 24 HB1 CYS 24 -2.628 1.731 6.184 157 H GLY 25 HN GLY 25 1.474 0.942 5.436 158 HA2 GLY 25 HA2 GLY 25 1.835 1.218 8.233 159 HA3 GLY 25 HA1 GLY 25 2.210 -0.423 7.742 160 H SER 26 HN SER 26 4.367 -0.603 7.768 161 HA SER 26 HA SER 26 5.936 1.337 6.206 162 HB2 SER 26 HB2 SER 26 6.605 0.302 8.959 163 HB3 SER 26 HB1 SER 26 7.742 1.168 7.926 164 HG SER 26 HG SER 26 6.900 2.857 8.872 165 H THR 27 HN THR 27 5.335 -1.905 7.114 166 HA THR 27 HA THR 27 7.783 -3.142 6.474 167 HB THR 27 HB THR 27 5.128 -4.496 6.112 168 HG1 THR 27 HG1 THR 27 4.674 -3.901 8.091 169 HG21 THR 27 HG21 THR 27 6.298 -6.419 7.098 170 HG22 THR 27 HG22 THR 27 7.757 -5.444 7.267 171 HG23 THR 27 HG23 THR 27 7.136 -5.832 5.662 172 H SER 28 HN SER 28 8.213 -4.590 4.652 173 HA SER 28 HA SER 28 7.682 -3.284 2.127 174 HB2 SER 28 HB2 SER 28 9.940 -4.130 2.783 175 HB3 SER 28 HB1 SER 28 9.312 -5.773 2.668 176 HG SER 28 HG SER 28 10.401 -4.553 0.747 177 H GLU 29 HN GLU 29 5.368 -3.816 2.473 178 HA GLU 29 HA GLU 29 4.603 -6.023 0.765 179 HB2 GLU 29 HB2 GLU 29 3.656 -5.817 3.634 180 HB3 GLU 29 HB1 GLU 29 2.742 -6.678 2.406 181 HG2 GLU 29 HG2 GLU 29 5.605 -7.356 2.990 182 HG3 GLU 29 HG1 GLU 29 4.281 -8.026 3.941 183 H TYR 30 HN TYR 30 3.765 -3.339 2.797 184 HA TYR 30 HA TYR 30 1.492 -2.588 1.153 185 HB2 TYR 30 HB2 TYR 30 2.109 -0.685 3.237 186 HB3 TYR 30 HB1 TYR 30 0.646 -1.629 3.007 187 HD1 TYR 30 HD1 TYR 30 1.067 -4.279 3.686 188 HD2 TYR 30 HD2 TYR 30 3.144 -0.921 5.283 189 HE1 TYR 30 HE1 TYR 30 1.601 -5.576 5.702 190 HE2 TYR 30 HE2 TYR 30 3.678 -2.215 7.301 191 HH TYR 30 HH TYR 30 3.279 -5.573 7.499 192 H CYS 31 HN CYS 31 4.772 -1.784 1.759 193 HA CYS 31 HA CYS 31 4.608 0.423 -0.157 194 HB2 CYS 31 HB2 CYS 31 6.596 0.627 2.059 195 HB3 CYS 31 HB1 CYS 31 5.792 1.902 1.156 196 H SER 32 HN SER 32 5.301 -1.078 -1.730 197 HA SER 32 HA SER 32 8.171 -1.746 -1.551 198 HB2 SER 32 HB2 SER 32 6.658 -3.736 -1.553 199 HB3 SER 32 HB1 SER 32 6.075 -3.239 -3.140 200 HG SER 32 HG SER 32 8.385 -4.519 -2.453 201 H ARG 33 HN ARG 33 9.472 -1.135 -3.216 202 HA ARG 33 HA ARG 33 8.366 0.775 -5.086 203 HB2 ARG 33 HB2 ARG 33 10.510 1.099 -3.783 204 HB3 ARG 33 HB1 ARG 33 11.242 -0.121 -4.809 205 HG2 ARG 33 HG2 ARG 33 11.932 1.751 -5.911 206 HG3 ARG 33 HG1 ARG 33 10.389 1.506 -6.729 207 HD2 ARG 33 HD2 ARG 33 10.372 3.773 -6.196 208 HD3 ARG 33 HD1 ARG 33 9.419 3.042 -4.906 209 HE ARG 33 HE ARG 33 11.594 3.118 -3.599 210 HH11 ARG 33 HH11 ARG 33 10.826 5.497 -6.068 211 HH12 ARG 33 HH12 ARG 33 11.802 6.732 -5.343 212 HH21 ARG 33 HH21 ARG 33 12.864 4.749 -2.670 213 HH22 ARG 33 HH22 ARG 33 12.954 6.308 -3.422 214 H ALA 34 HN ALA 34 8.391 -2.452 -5.201 215 HA ALA 34 HA ALA 34 8.815 -2.528 -8.113 216 HB1 ALA 34 HB1 ALA 34 10.661 -3.662 -6.972 217 HB2 ALA 34 HB2 ALA 34 9.700 -4.780 -7.940 218 HB3 ALA 34 HB3 ALA 34 9.505 -4.738 -6.188 219 H ASN 35 HN ASN 35 6.809 -3.356 -5.434 220 HA ASN 35 HA ASN 35 4.787 -4.424 -7.266 221 HB2 ASN 35 HB2 ASN 35 5.805 -5.842 -4.806 222 HB3 ASN 35 HB1 ASN 35 4.241 -6.208 -5.527 223 HD21 ASN 35 HD21 ASN 35 4.158 -7.204 -7.544 224 HD22 ASN 35 HD22 ASN 35 5.530 -7.998 -8.231 225 H GLY 36 HN GLY 36 5.566 -2.457 -4.615 226 HA2 GLY 36 HA2 GLY 36 2.705 -2.224 -3.910 227 HA3 GLY 36 HA1 GLY 36 3.981 -2.097 -2.713 228 H CYS 37 HN CYS 37 4.380 -0.163 -2.075 229 HA CYS 37 HA CYS 37 4.082 2.092 -1.818 230 HB2 CYS 37 HB2 CYS 37 6.174 1.455 -3.728 231 HB3 CYS 37 HB1 CYS 37 5.599 3.113 -3.878 232 H GLN 38 HN GLN 38 2.085 2.835 -2.069 233 HA GLN 38 HA GLN 38 1.368 3.910 -4.724 234 HB2 GLN 38 HB2 GLN 38 -0.636 2.955 -2.670 235 HB3 GLN 38 HB1 GLN 38 -0.945 3.407 -4.338 236 HG2 GLN 38 HG2 GLN 38 0.805 1.076 -3.634 237 HG3 GLN 38 HG1 GLN 38 -0.946 0.923 -3.746 238 HE21 GLN 38 HE21 GLN 38 2.001 1.453 -5.501 239 HE22 GLN 38 HE22 GLN 38 1.348 1.211 -7.081 240 H SER 39 HN SER 39 0.839 4.143 -1.230 241 HA SER 39 HA SER 39 0.082 6.922 -1.341 242 HB2 SER 39 HB2 SER 39 0.178 4.729 0.627 243 HB3 SER 39 HB1 SER 39 0.409 6.345 1.293 244 HG SER 39 HG SER 39 -1.597 6.883 0.730 245 H ASN 40 HN ASN 40 1.290 8.108 0.800 246 HA ASN 40 HA ASN 40 3.834 8.836 -0.222 247 HB2 ASN 40 HB2 ASN 40 2.101 10.161 1.265 248 HB3 ASN 40 HB1 ASN 40 3.049 9.490 2.589 249 HD21 ASN 40 HD21 ASN 40 5.183 10.134 2.861 250 HD22 ASN 40 HD22 ASN 40 5.822 11.543 2.092 251 H CYS 41 HN CYS 41 5.045 6.949 -0.322 252 HA CYS 41 HA CYS 41 5.981 5.859 2.246 253 HB2 CYS 41 HB2 CYS 41 6.738 3.881 0.871 254 HB3 CYS 41 HB1 CYS 41 4.994 4.109 0.904 255 H ARG 42 HN ARG 42 7.128 6.597 -1.006 256 HA ARG 42 HA ARG 42 9.868 6.841 -0.006 257 HB2 ARG 42 HB2 ARG 42 9.191 7.012 -2.918 258 HB3 ARG 42 HB1 ARG 42 10.659 6.424 -2.159 259 HG2 ARG 42 HG2 ARG 42 8.063 4.929 -1.918 260 HG3 ARG 42 HG1 ARG 42 9.120 4.728 -3.312 261 HD2 ARG 42 HD2 ARG 42 9.587 2.973 -1.748 262 HD3 ARG 42 HD1 ARG 42 10.955 4.084 -1.753 263 HE ARG 42 HE ARG 42 9.189 4.842 0.291 264 HH11 ARG 42 HH11 ARG 42 11.394 2.209 -0.444 265 HH12 ARG 42 HH12 ARG 42 11.700 1.849 1.221 266 HH21 ARG 42 HH21 ARG 42 9.605 4.352 2.464 267 HH22 ARG 42 HH22 ARG 42 10.687 3.061 2.866 268 H GLY 43 HN GLY 43 7.333 8.652 -1.563 269 HA2 GLY 43 HA2 GLY 43 8.934 11.114 -1.229 270 HA3 GLY 43 HA1 GLY 43 7.936 10.848 -2.651 Start of MODEL 19 1 H1 GLN 1 HT1 GLN 1 -2.174 -0.504 10.281 2 H2 GLN 1 HT2 GLN 1 -2.781 -2.078 10.157 3 H3 GLN 1 HT3 GLN 1 -3.630 -0.911 11.042 4 HA GLN 1 HA GLN 1 -3.146 -0.848 8.120 5 HB2 GLN 1 HB2 GLN 1 -5.579 -1.561 9.760 6 HB3 GLN 1 HB1 GLN 1 -5.682 -1.108 8.065 7 HG2 GLN 1 HG2 GLN 1 -4.286 -2.989 7.448 8 HG3 GLN 1 HG1 GLN 1 -4.093 -3.424 9.145 9 HE21 GLN 1 HE21 GLN 1 -6.254 -3.357 6.427 10 HE22 GLN 1 HE22 GLN 1 -7.451 -4.410 7.093 11 H ASN 2 HN ASN 2 -3.640 1.005 7.100 12 HA ASN 2 HA ASN 2 -4.932 3.159 8.621 13 HB2 ASN 2 HB2 ASN 2 -2.190 3.122 7.640 14 HB3 ASN 2 HB1 ASN 2 -3.094 4.478 6.974 15 HD21 ASN 2 HD21 ASN 2 -3.881 6.063 8.356 16 HD22 ASN 2 HD22 ASN 2 -3.315 6.234 9.979 17 H CYS 3 HN CYS 3 -4.545 1.478 5.644 18 HA CYS 3 HA CYS 3 -6.789 2.710 4.435 19 HB2 CYS 3 HB2 CYS 3 -5.695 4.585 3.727 20 HB3 CYS 3 HB1 CYS 3 -4.119 3.836 3.854 21 H GLY 4 HN GLY 4 -6.630 2.154 1.861 22 HA2 GLY 4 HA2 GLY 4 -5.561 0.389 0.410 23 HA3 GLY 4 HA1 GLY 4 -5.903 -0.704 1.735 24 H ARG 5 HN ARG 5 -7.094 -1.941 0.083 25 HA ARG 5 HA ARG 5 -9.560 -0.735 -0.863 26 HB2 ARG 5 HB2 ARG 5 -9.881 -2.853 -2.142 27 HB3 ARG 5 HB1 ARG 5 -8.352 -2.068 -2.493 28 HG2 ARG 5 HG2 ARG 5 -7.199 -3.676 -1.049 29 HG3 ARG 5 HG1 ARG 5 -8.741 -4.463 -0.705 30 HD2 ARG 5 HD2 ARG 5 -9.004 -4.977 -3.085 31 HD3 ARG 5 HD1 ARG 5 -7.462 -4.192 -3.424 32 HE ARG 5 HE ARG 5 -7.070 -6.191 -1.487 33 HH11 ARG 5 HH11 ARG 5 -7.799 -5.918 -4.913 34 HH12 ARG 5 HH12 ARG 5 -7.074 -7.442 -5.305 35 HH21 ARG 5 HH21 ARG 5 -6.128 -8.181 -2.024 36 HH22 ARG 5 HH22 ARG 5 -6.130 -8.721 -3.670 37 H GLN 6 HN GLN 6 -8.884 -1.685 2.021 38 HA GLN 6 HA GLN 6 -11.371 -3.204 2.471 39 HB2 GLN 6 HB2 GLN 6 -8.761 -3.270 3.981 40 HB3 GLN 6 HB1 GLN 6 -10.250 -3.937 4.634 41 HG2 GLN 6 HG2 GLN 6 -9.235 -4.824 1.953 42 HG3 GLN 6 HG1 GLN 6 -8.580 -5.514 3.437 43 HE21 GLN 6 HE21 GLN 6 -11.368 -5.236 1.385 44 HE22 GLN 6 HE22 GLN 6 -12.281 -6.515 2.104 45 H ALA 7 HN ALA 7 -9.547 -0.394 3.261 46 HA ALA 7 HA ALA 7 -11.204 0.322 5.552 47 HB1 ALA 7 HB1 ALA 7 -8.780 0.719 5.625 48 HB2 ALA 7 HB2 ALA 7 -9.700 2.212 5.805 49 HB3 ALA 7 HB3 ALA 7 -8.932 1.832 4.266 50 H GLY 8 HN GLY 8 -11.359 0.671 2.221 51 HA2 GLY 8 HA2 GLY 8 -13.317 1.692 1.234 52 HA3 GLY 8 HA1 GLY 8 -13.224 2.945 2.464 53 H ASN 9 HN ASN 9 -10.539 1.650 0.618 54 HA ASN 9 HA ASN 9 -8.861 2.639 -0.516 55 HB2 ASN 9 HB2 ASN 9 -9.547 3.688 -2.668 56 HB3 ASN 9 HB1 ASN 9 -10.331 2.149 -2.351 57 HD21 ASN 9 HD21 ASN 9 -10.752 5.541 -2.794 58 HD22 ASN 9 HD22 ASN 9 -12.479 5.543 -2.822 59 H ARG 10 HN ARG 10 -8.506 3.909 1.507 60 HA ARG 10 HA ARG 10 -8.827 6.797 1.152 61 HB2 ARG 10 HB2 ARG 10 -7.963 5.063 3.468 62 HB3 ARG 10 HB1 ARG 10 -7.753 6.807 3.497 63 HG2 ARG 10 HG2 ARG 10 -10.168 7.099 3.217 64 HG3 ARG 10 HG1 ARG 10 -10.371 5.346 3.208 65 HD2 ARG 10 HD2 ARG 10 -9.451 5.227 5.470 66 HD3 ARG 10 HD1 ARG 10 -9.237 6.978 5.478 67 HE ARG 10 HE ARG 10 -11.927 6.365 4.920 68 HH11 ARG 10 HH11 ARG 10 -9.675 6.284 7.614 69 HH12 ARG 10 HH12 ARG 10 -10.917 6.474 8.806 70 HH21 ARG 10 HH21 ARG 10 -13.100 6.660 8.173 71 HH22 ARG 10 HH22 ARG 10 -13.536 6.613 6.498 72 H ALA 11 HN ALA 11 -6.440 7.594 2.577 73 HA ALA 11 HA ALA 11 -4.220 6.523 1.012 74 HB1 ALA 11 HB1 ALA 11 -5.089 8.364 -0.352 75 HB2 ALA 11 HB2 ALA 11 -3.473 8.715 0.263 76 HB3 ALA 11 HB3 ALA 11 -4.883 9.467 1.010 77 H CYS 12 HN CYS 12 -2.199 6.782 1.949 78 HA CYS 12 HA CYS 12 -2.233 7.769 4.724 79 HB2 CYS 12 HB2 CYS 12 -0.392 5.784 3.371 80 HB3 CYS 12 HB1 CYS 12 -0.211 6.338 5.032 81 H ALA 13 HN ALA 13 -1.349 9.683 5.056 82 HA ALA 13 HA ALA 13 1.058 10.455 3.564 83 HB1 ALA 13 HB1 ALA 13 -1.315 12.265 3.976 84 HB2 ALA 13 HB2 ALA 13 -0.857 11.498 2.455 85 HB3 ALA 13 HB3 ALA 13 0.205 12.699 3.192 86 H ASN 14 HN ASN 14 0.501 9.526 6.368 87 HA ASN 14 HA ASN 14 1.191 11.884 7.937 88 HB2 ASN 14 HB2 ASN 14 -0.575 10.083 8.600 89 HB3 ASN 14 HB1 ASN 14 0.827 9.147 9.108 90 HD21 ASN 14 HD21 ASN 14 -1.110 11.967 9.702 91 HD22 ASN 14 HD22 ASN 14 -0.473 12.328 11.266 92 H GLN 15 HN GLN 15 2.342 8.548 8.166 93 HA GLN 15 HA GLN 15 5.116 9.383 7.810 94 HB2 GLN 15 HB2 GLN 15 4.047 8.160 10.349 95 HB3 GLN 15 HB1 GLN 15 5.738 8.018 9.895 96 HG2 GLN 15 HG2 GLN 15 5.946 10.450 9.888 97 HG3 GLN 15 HG1 GLN 15 4.247 10.596 10.335 98 HE21 GLN 15 HE21 GLN 15 3.602 10.044 12.418 99 HE22 GLN 15 HE22 GLN 15 4.730 9.880 13.716 100 H LEU 16 HN LEU 16 2.652 7.022 7.712 101 HA LEU 16 HA LEU 16 4.538 4.929 6.886 102 HB2 LEU 16 HB2 LEU 16 2.525 3.388 7.173 103 HB3 LEU 16 HB1 LEU 16 3.229 4.042 8.634 104 HG LEU 16 HG LEU 16 0.806 5.313 7.382 105 HD11 LEU 16 HD11 LEU 16 -0.568 3.940 8.899 106 HD12 LEU 16 HD12 LEU 16 0.858 2.988 9.297 107 HD13 LEU 16 HD13 LEU 16 0.227 2.985 7.649 108 HD21 LEU 16 HD21 LEU 16 0.362 6.050 9.661 109 HD22 LEU 16 HD22 LEU 16 1.984 6.541 9.175 110 HD23 LEU 16 HD23 LEU 16 1.766 5.157 10.245 111 H CYS 17 HN CYS 17 2.783 3.303 5.369 112 HA CYS 17 HA CYS 17 1.789 4.979 3.236 113 HB2 CYS 17 HB2 CYS 17 3.435 2.990 1.972 114 HB3 CYS 17 HB1 CYS 17 3.457 4.737 1.772 115 H CYS 18 HN CYS 18 0.314 4.250 2.015 116 HA CYS 18 HA CYS 18 -0.851 1.634 2.589 117 HB2 CYS 18 HB2 CYS 18 -2.236 3.627 2.852 118 HB3 CYS 18 HB1 CYS 18 -1.935 4.069 1.182 119 H SER 19 HN SER 19 -1.728 0.324 0.937 120 HA SER 19 HA SER 19 -0.953 0.842 -1.824 121 HB2 SER 19 HB2 SER 19 -0.040 -1.459 -2.114 122 HB3 SER 19 HB1 SER 19 0.921 -0.513 -0.977 123 HG SER 19 HG SER 19 -0.149 -2.841 -0.556 124 H GLN 20 HN GLN 20 -2.064 -0.666 -3.362 125 HA GLN 20 HA GLN 20 -4.820 -0.936 -2.656 126 HB2 GLN 20 HB2 GLN 20 -3.251 -1.701 -5.118 127 HB3 GLN 20 HB1 GLN 20 -4.970 -2.031 -4.965 128 HG2 GLN 20 HG2 GLN 20 -5.406 0.358 -4.692 129 HG3 GLN 20 HG1 GLN 20 -3.680 0.687 -4.847 130 HE21 GLN 20 HE21 GLN 20 -6.581 -0.272 -6.500 131 HE22 GLN 20 HE22 GLN 20 -5.980 -0.057 -8.106 132 H TYR 21 HN TYR 21 -4.745 -2.329 -0.873 133 HA TYR 21 HA TYR 21 -5.074 -5.111 -1.476 134 HB2 TYR 21 HB2 TYR 21 -2.735 -5.359 -1.322 135 HB3 TYR 21 HB1 TYR 21 -2.601 -4.189 -0.023 136 HD1 TYR 21 HD1 TYR 21 -2.274 -4.956 2.142 137 HD2 TYR 21 HD2 TYR 21 -4.025 -7.580 -0.713 138 HE1 TYR 21 HE1 TYR 21 -2.194 -6.789 3.781 139 HE2 TYR 21 HE2 TYR 21 -3.950 -9.418 0.917 140 HH TYR 21 HH TYR 21 -3.333 -8.923 4.216 141 H GLY 22 HN GLY 22 -4.995 -2.472 0.759 142 HA2 GLY 22 HA2 GLY 22 -6.936 -2.176 2.230 143 HA3 GLY 22 HA1 GLY 22 -6.906 -3.907 2.495 144 H PHE 23 HN PHE 23 -3.778 -2.676 2.394 145 HA PHE 23 HA PHE 23 -3.700 -2.306 5.299 146 HB2 PHE 23 HB2 PHE 23 -2.902 -4.624 4.282 147 HB3 PHE 23 HB1 PHE 23 -1.424 -3.718 4.006 148 HD1 PHE 23 HD1 PHE 23 -0.699 -2.273 6.218 149 HD2 PHE 23 HD2 PHE 23 -2.986 -5.867 6.186 150 HE1 PHE 23 HE1 PHE 23 -0.031 -2.718 8.543 151 HE2 PHE 23 HE2 PHE 23 -2.322 -6.312 8.511 152 HZ PHE 23 HZ PHE 23 -0.843 -4.739 9.692 153 H CYS 24 HN CYS 24 -2.345 -0.826 6.073 154 HA CYS 24 HA CYS 24 -0.413 0.488 4.306 155 HB2 CYS 24 HB2 CYS 24 -2.349 1.925 4.351 156 HB3 CYS 24 HB1 CYS 24 -2.468 1.794 6.094 157 H GLY 25 HN GLY 25 1.440 1.344 5.388 158 HA2 GLY 25 HA2 GLY 25 1.987 1.493 8.061 159 HA3 GLY 25 HA1 GLY 25 2.212 -0.204 7.686 160 H SER 26 HN SER 26 4.344 -0.597 7.577 161 HA SER 26 HA SER 26 5.990 1.200 5.925 162 HB2 SER 26 HB2 SER 26 6.731 0.025 8.597 163 HB3 SER 26 HB1 SER 26 7.865 0.839 7.520 164 HG SER 26 HG SER 26 7.218 2.518 8.648 165 H THR 27 HN THR 27 5.180 -2.018 6.811 166 HA THR 27 HA THR 27 7.479 -3.418 5.993 167 HB THR 27 HB THR 27 4.713 -4.555 5.703 168 HG1 THR 27 HG1 THR 27 4.381 -4.038 7.723 169 HG21 THR 27 HG21 THR 27 7.309 -5.737 6.709 170 HG22 THR 27 HG22 THR 27 6.599 -6.016 5.118 171 HG23 THR 27 HG23 THR 27 5.776 -6.597 6.566 172 H SER 28 HN SER 28 7.612 -4.894 4.092 173 HA SER 28 HA SER 28 7.230 -3.387 1.663 174 HB2 SER 28 HB2 SER 28 9.324 -4.600 2.244 175 HB3 SER 28 HB1 SER 28 8.452 -6.116 2.030 176 HG SER 28 HG SER 28 9.661 -5.353 0.154 177 H GLU 29 HN GLU 29 4.785 -3.825 2.365 178 HA GLU 29 HA GLU 29 3.739 -5.632 0.339 179 HB2 GLU 29 HB2 GLU 29 2.962 -5.784 3.263 180 HB3 GLU 29 HB1 GLU 29 1.937 -6.409 1.980 181 HG2 GLU 29 HG2 GLU 29 4.775 -7.324 2.295 182 HG3 GLU 29 HG1 GLU 29 3.464 -8.044 3.226 183 H TYR 30 HN TYR 30 3.158 -3.278 2.835 184 HA TYR 30 HA TYR 30 0.947 -2.072 1.370 185 HB2 TYR 30 HB2 TYR 30 1.535 -0.615 3.741 186 HB3 TYR 30 HB1 TYR 30 0.118 -1.593 3.397 187 HD1 TYR 30 HD1 TYR 30 0.689 -4.294 3.680 188 HD2 TYR 30 HD2 TYR 30 2.638 -1.091 5.695 189 HE1 TYR 30 HE1 TYR 30 1.311 -5.824 5.497 190 HE2 TYR 30 HE2 TYR 30 3.265 -2.615 7.514 191 HH TYR 30 HH TYR 30 2.512 -4.747 8.480 192 H CYS 31 HN CYS 31 4.207 -1.541 2.398 193 HA CYS 31 HA CYS 31 4.314 0.949 0.841 194 HB2 CYS 31 HB2 CYS 31 4.481 1.275 3.355 195 HB3 CYS 31 HB1 CYS 31 5.996 0.383 3.289 196 H SER 32 HN SER 32 4.993 -0.120 -0.990 197 HA SER 32 HA SER 32 7.311 -1.868 -0.883 198 HB2 SER 32 HB2 SER 32 5.395 -1.044 -3.037 199 HB3 SER 32 HB1 SER 32 6.903 -1.862 -3.441 200 HG SER 32 HG SER 32 4.801 -3.098 -2.907 201 H ARG 33 HN ARG 33 9.324 -1.369 -1.327 202 HA ARG 33 HA ARG 33 9.941 1.327 -2.300 203 HB2 ARG 33 HB2 ARG 33 12.240 0.896 -1.374 204 HB3 ARG 33 HB1 ARG 33 10.962 0.953 -0.175 205 HG2 ARG 33 HG2 ARG 33 10.965 -1.487 -0.036 206 HG3 ARG 33 HG1 ARG 33 12.224 -1.560 -1.271 207 HD2 ARG 33 HD2 ARG 33 13.727 -0.301 0.200 208 HD3 ARG 33 HD1 ARG 33 12.468 -0.241 1.432 209 HE ARG 33 HE ARG 33 12.857 -2.915 0.818 210 HH11 ARG 33 HH11 ARG 33 14.778 -0.316 2.194 211 HH12 ARG 33 HH12 ARG 33 15.755 -1.386 3.143 212 HH21 ARG 33 HH21 ARG 33 14.149 -4.297 2.068 213 HH22 ARG 33 HH22 ARG 33 15.398 -3.637 3.071 214 H ALA 34 HN ALA 34 10.328 -2.039 -2.979 215 HA ALA 34 HA ALA 34 11.928 -1.443 -5.373 216 HB1 ALA 34 HB1 ALA 34 11.594 -4.078 -3.949 217 HB2 ALA 34 HB2 ALA 34 12.984 -3.001 -3.808 218 HB3 ALA 34 HB3 ALA 34 12.621 -3.774 -5.351 219 H ASN 35 HN ASN 35 8.942 -2.750 -4.215 220 HA ASN 35 HA ASN 35 8.186 -3.784 -6.837 221 HB2 ASN 35 HB2 ASN 35 6.910 -3.959 -4.112 222 HB3 ASN 35 HB1 ASN 35 6.043 -4.430 -5.569 223 HD21 ASN 35 HD21 ASN 35 6.716 -6.243 -6.716 224 HD22 ASN 35 HD22 ASN 35 7.772 -7.423 -6.027 225 H GLY 36 HN GLY 36 7.835 -0.943 -4.975 226 HA2 GLY 36 HA2 GLY 36 7.051 1.090 -5.918 227 HA3 GLY 36 HA1 GLY 36 6.021 0.164 -6.997 228 H CYS 37 HN CYS 37 6.101 2.087 -4.281 229 HA CYS 37 HA CYS 37 3.762 0.951 -2.980 230 HB2 CYS 37 HB2 CYS 37 4.075 3.209 -1.610 231 HB3 CYS 37 HB1 CYS 37 5.115 1.819 -1.322 232 H GLN 38 HN GLN 38 1.914 2.531 -2.404 233 HA GLN 38 HA GLN 38 1.171 3.917 -4.899 234 HB2 GLN 38 HB2 GLN 38 -0.710 2.971 -2.742 235 HB3 GLN 38 HB1 GLN 38 -1.113 3.457 -4.381 236 HG2 GLN 38 HG2 GLN 38 0.601 1.067 -3.775 237 HG3 GLN 38 HG1 GLN 38 -1.157 0.979 -3.864 238 HE21 GLN 38 HE21 GLN 38 1.784 1.435 -5.653 239 HE22 GLN 38 HE22 GLN 38 1.101 1.236 -7.227 240 H SER 39 HN SER 39 0.505 4.150 -1.408 241 HA SER 39 HA SER 39 -0.272 6.893 -1.531 242 HB2 SER 39 HB2 SER 39 0.006 4.769 0.510 243 HB3 SER 39 HB1 SER 39 0.041 6.431 1.095 244 HG SER 39 HG SER 39 -2.079 5.870 1.072 245 H ASN 40 HN ASN 40 0.801 8.237 0.492 246 HA ASN 40 HA ASN 40 3.321 9.081 -0.467 247 HB2 ASN 40 HB2 ASN 40 1.362 10.044 1.323 248 HB3 ASN 40 HB1 ASN 40 2.877 9.984 2.219 249 HD21 ASN 40 HD21 ASN 40 4.605 11.259 1.555 250 HD22 ASN 40 HD22 ASN 40 4.401 12.590 0.473 251 H CYS 41 HN CYS 41 4.629 7.273 -0.456 252 HA CYS 41 HA CYS 41 5.413 6.098 2.097 253 HB2 CYS 41 HB2 CYS 41 6.842 4.638 0.476 254 HB3 CYS 41 HB1 CYS 41 5.100 4.417 0.481 255 H ARG 42 HN ARG 42 8.115 5.447 1.449 256 HA ARG 42 HA ARG 42 9.454 7.731 2.385 257 HB2 ARG 42 HB2 ARG 42 11.547 6.291 1.444 258 HB3 ARG 42 HB1 ARG 42 10.749 5.954 2.968 259 HG2 ARG 42 HG2 ARG 42 10.950 3.864 1.997 260 HG3 ARG 42 HG1 ARG 42 9.295 4.314 1.605 261 HD2 ARG 42 HD2 ARG 42 11.559 4.829 -0.302 262 HD3 ARG 42 HD1 ARG 42 10.742 3.271 -0.242 263 HE ARG 42 HE ARG 42 8.746 5.153 -0.483 264 HH11 ARG 42 HH11 ARG 42 11.521 4.190 -2.408 265 HH12 ARG 42 HH12 ARG 42 10.783 4.644 -3.908 266 HH21 ARG 42 HH21 ARG 42 7.804 5.752 -2.459 267 HH22 ARG 42 HH22 ARG 42 8.683 5.527 -3.935 268 H GLY 43 HN GLY 43 9.133 9.498 1.136 269 HA2 GLY 43 HA2 GLY 43 10.006 9.462 -1.662 270 HA3 GLY 43 HA1 GLY 43 9.078 10.735 -0.884 Start of MODEL 20 1 H1 GLN 1 HT1 GLN 1 -6.057 0.011 11.192 2 H2 GLN 1 HT2 GLN 1 -4.376 0.189 11.124 3 H3 GLN 1 HT3 GLN 1 -5.081 -1.312 10.793 4 HA GLN 1 HA GLN 1 -4.376 -0.225 8.765 5 HB2 GLN 1 HB2 GLN 1 -6.627 -1.589 9.118 6 HB3 GLN 1 HB1 GLN 1 -7.359 -0.044 8.715 7 HG2 GLN 1 HG2 GLN 1 -6.083 -0.026 6.606 8 HG3 GLN 1 HG1 GLN 1 -5.450 -1.622 7.007 9 HE21 GLN 1 HE21 GLN 1 -8.236 0.197 6.022 10 HE22 GLN 1 HE22 GLN 1 -9.215 -1.154 5.573 11 H ASN 2 HN ASN 2 -4.380 1.537 7.405 12 HA ASN 2 HA ASN 2 -5.626 4.003 8.420 13 HB2 ASN 2 HB2 ASN 2 -2.846 3.633 7.295 14 HB3 ASN 2 HB1 ASN 2 -3.615 5.208 7.404 15 HD21 ASN 2 HD21 ASN 2 -2.334 2.516 9.215 16 HD22 ASN 2 HD22 ASN 2 -2.169 3.352 10.719 17 H CYS 3 HN CYS 3 -4.737 2.041 5.699 18 HA CYS 3 HA CYS 3 -6.665 3.251 3.980 19 HB2 CYS 3 HB2 CYS 3 -5.249 4.986 3.465 20 HB3 CYS 3 HB1 CYS 3 -3.809 4.056 3.825 21 H GLY 4 HN GLY 4 -6.445 2.363 1.682 22 HA2 GLY 4 HA2 GLY 4 -5.356 0.553 0.362 23 HA3 GLY 4 HA1 GLY 4 -5.496 -0.429 1.805 24 H ARG 5 HN ARG 5 -6.599 -1.871 0.186 25 HA ARG 5 HA ARG 5 -9.302 -1.062 -0.512 26 HB2 ARG 5 HB2 ARG 5 -7.617 -2.362 -2.029 27 HB3 ARG 5 HB1 ARG 5 -8.177 -3.769 -1.133 28 HG2 ARG 5 HG2 ARG 5 -10.453 -3.349 -1.826 29 HG3 ARG 5 HG1 ARG 5 -9.951 -1.873 -2.653 30 HD2 ARG 5 HD2 ARG 5 -8.534 -3.206 -4.151 31 HD3 ARG 5 HD1 ARG 5 -9.058 -4.676 -3.330 32 HE ARG 5 HE ARG 5 -11.368 -3.446 -4.161 33 HH11 ARG 5 HH11 ARG 5 -8.496 -4.660 -5.777 34 HH12 ARG 5 HH12 ARG 5 -9.338 -5.026 -7.246 35 HH21 ARG 5 HH21 ARG 5 -12.449 -3.933 -6.093 36 HH22 ARG 5 HH22 ARG 5 -11.573 -4.614 -7.423 37 H GLN 6 HN GLN 6 -9.622 -0.959 1.885 38 HA GLN 6 HA GLN 6 -11.201 -3.197 2.748 39 HB2 GLN 6 HB2 GLN 6 -8.604 -2.563 4.092 40 HB3 GLN 6 HB1 GLN 6 -9.962 -3.092 5.077 41 HG2 GLN 6 HG2 GLN 6 -10.125 -5.138 3.757 42 HG3 GLN 6 HG1 GLN 6 -8.765 -4.609 2.768 43 HE21 GLN 6 HE21 GLN 6 -9.764 -5.790 5.881 44 HE22 GLN 6 HE22 GLN 6 -8.189 -6.206 6.455 45 H ALA 7 HN ALA 7 -9.825 -0.064 3.390 46 HA ALA 7 HA ALA 7 -11.942 0.671 5.260 47 HB1 ALA 7 HB1 ALA 7 -9.641 1.302 5.799 48 HB2 ALA 7 HB2 ALA 7 -10.660 2.725 5.589 49 HB3 ALA 7 HB3 ALA 7 -9.549 2.240 4.309 50 H GLY 8 HN GLY 8 -10.994 1.151 1.980 51 HA2 GLY 8 HA2 GLY 8 -13.030 1.785 0.577 52 HA3 GLY 8 HA1 GLY 8 -13.059 3.221 1.589 53 H ASN 9 HN ASN 9 -10.071 1.731 0.569 54 HA ASN 9 HA ASN 9 -8.286 2.452 -0.615 55 HB2 ASN 9 HB2 ASN 9 -10.131 2.055 -2.427 56 HB3 ASN 9 HB1 ASN 9 -10.113 3.808 -2.582 57 HD21 ASN 9 HD21 ASN 9 -8.325 0.867 -3.041 58 HD22 ASN 9 HD22 ASN 9 -7.082 1.537 -4.037 59 H ARG 10 HN ARG 10 -8.512 3.977 1.475 60 HA ARG 10 HA ARG 10 -8.652 6.793 0.856 61 HB2 ARG 10 HB2 ARG 10 -7.880 5.253 3.341 62 HB3 ARG 10 HB1 ARG 10 -7.800 7.006 3.258 63 HG2 ARG 10 HG2 ARG 10 -10.204 7.086 2.780 64 HG3 ARG 10 HG1 ARG 10 -10.275 5.326 2.902 65 HD2 ARG 10 HD2 ARG 10 -9.526 5.454 5.223 66 HD3 ARG 10 HD1 ARG 10 -9.434 7.210 5.102 67 HE ARG 10 HE ARG 10 -12.029 6.296 4.422 68 HH11 ARG 10 HH11 ARG 10 -9.975 6.829 7.222 69 HH12 ARG 10 HH12 ARG 10 -11.311 7.068 8.299 70 HH21 ARG 10 HH21 ARG 10 -13.451 6.947 7.522 71 HH22 ARG 10 HH22 ARG 10 -13.760 6.614 5.850 72 H ALA 11 HN ALA 11 -6.413 7.746 2.415 73 HA ALA 11 HA ALA 11 -4.078 6.745 0.946 74 HB1 ALA 11 HB1 ALA 11 -3.344 8.996 0.397 75 HB2 ALA 11 HB2 ALA 11 -4.797 9.665 1.139 76 HB3 ALA 11 HB3 ALA 11 -4.926 8.666 -0.308 77 H CYS 12 HN CYS 12 -2.183 6.760 2.047 78 HA CYS 12 HA CYS 12 -2.302 7.571 4.866 79 HB2 CYS 12 HB2 CYS 12 -0.545 5.666 3.334 80 HB3 CYS 12 HB1 CYS 12 -0.127 6.197 4.960 81 H ALA 13 HN ALA 13 -1.599 9.563 5.261 82 HA ALA 13 HA ALA 13 0.944 10.442 4.082 83 HB1 ALA 13 HB1 ALA 13 -0.857 11.445 2.763 84 HB2 ALA 13 HB2 ALA 13 0.066 12.664 3.644 85 HB3 ALA 13 HB3 ALA 13 -1.523 12.168 4.229 86 H ASN 14 HN ASN 14 0.030 9.454 6.791 87 HA ASN 14 HA ASN 14 0.449 11.799 8.464 88 HB2 ASN 14 HB2 ASN 14 -0.355 8.970 9.118 89 HB3 ASN 14 HB1 ASN 14 0.003 10.169 10.357 90 HD21 ASN 14 HD21 ASN 14 -2.200 9.195 7.856 91 HD22 ASN 14 HD22 ASN 14 -3.495 10.247 8.306 92 H GLN 15 HN GLN 15 1.725 8.497 8.574 93 HA GLN 15 HA GLN 15 4.454 9.492 8.795 94 HB2 GLN 15 HB2 GLN 15 3.091 7.877 10.944 95 HB3 GLN 15 HB1 GLN 15 4.840 7.902 10.769 96 HG2 GLN 15 HG2 GLN 15 3.271 10.439 11.066 97 HG3 GLN 15 HG1 GLN 15 3.752 9.485 12.468 98 HE21 GLN 15 HE21 GLN 15 4.841 11.480 9.840 99 HE22 GLN 15 HE22 GLN 15 6.446 11.735 10.427 100 H LEU 16 HN LEU 16 2.241 6.846 8.405 101 HA LEU 16 HA LEU 16 4.383 5.159 7.317 102 HB2 LEU 16 HB2 LEU 16 2.725 3.269 7.566 103 HB3 LEU 16 HB1 LEU 16 3.266 3.979 9.068 104 HG LEU 16 HG LEU 16 0.653 4.806 7.830 105 HD11 LEU 16 HD11 LEU 16 -0.446 3.105 9.227 106 HD12 LEU 16 HD12 LEU 16 1.135 2.443 9.638 107 HD13 LEU 16 HD13 LEU 16 0.563 2.393 7.969 108 HD21 LEU 16 HD21 LEU 16 1.450 6.178 9.674 109 HD22 LEU 16 HD22 LEU 16 1.678 4.744 10.672 110 HD23 LEU 16 HD23 LEU 16 0.054 5.233 10.190 111 H CYS 17 HN CYS 17 2.992 3.446 5.666 112 HA CYS 17 HA CYS 17 1.583 5.098 3.725 113 HB2 CYS 17 HB2 CYS 17 3.110 4.134 1.887 114 HB3 CYS 17 HB1 CYS 17 3.765 5.425 2.888 115 H CYS 18 HN CYS 18 0.260 4.094 2.338 116 HA CYS 18 HA CYS 18 -0.186 1.219 2.823 117 HB2 CYS 18 HB2 CYS 18 -2.524 1.638 2.224 118 HB3 CYS 18 HB1 CYS 18 -2.019 2.752 3.491 119 H SER 19 HN SER 19 -1.107 -0.044 1.127 120 HA SER 19 HA SER 19 -0.309 0.764 -1.594 121 HB2 SER 19 HB2 SER 19 0.127 -1.704 -2.013 122 HB3 SER 19 HB1 SER 19 1.250 -0.952 -0.881 123 HG SER 19 HG SER 19 0.432 -2.991 -0.158 124 H GLN 20 HN GLN 20 -1.471 -1.045 -3.176 125 HA GLN 20 HA GLN 20 -4.313 -0.625 -2.732 126 HB2 GLN 20 HB2 GLN 20 -2.939 -0.361 -4.967 127 HB3 GLN 20 HB1 GLN 20 -3.219 -2.090 -5.110 128 HG2 GLN 20 HG2 GLN 20 -5.631 -1.708 -4.996 129 HG3 GLN 20 HG1 GLN 20 -5.348 0.026 -4.853 130 HE21 GLN 20 HE21 GLN 20 -5.268 -2.731 -6.962 131 HE22 GLN 20 HE22 GLN 20 -5.121 -1.852 -8.442 132 H TYR 21 HN TYR 21 -4.386 -2.042 -0.874 133 HA TYR 21 HA TYR 21 -5.163 -4.732 -1.551 134 HB2 TYR 21 HB2 TYR 21 -2.894 -5.305 -1.236 135 HB3 TYR 21 HB1 TYR 21 -2.695 -4.161 0.081 136 HD1 TYR 21 HD1 TYR 21 -4.080 -7.457 -0.831 137 HD2 TYR 21 HD2 TYR 21 -3.099 -4.807 2.342 138 HE1 TYR 21 HE1 TYR 21 -4.400 -9.287 0.779 139 HE2 TYR 21 HE2 TYR 21 -3.414 -6.630 3.967 140 HH TYR 21 HH TYR 21 -4.616 -8.769 4.123 141 H GLY 22 HN GLY 22 -4.289 -2.711 1.196 142 HA2 GLY 22 HA2 GLY 22 -6.442 -1.922 2.428 143 HA3 GLY 22 HA1 GLY 22 -6.645 -3.645 2.676 144 H PHE 23 HN PHE 23 -3.430 -2.314 2.629 145 HA PHE 23 HA PHE 23 -3.333 -2.323 5.549 146 HB2 PHE 23 HB2 PHE 23 -2.548 -4.537 4.405 147 HB3 PHE 23 HB1 PHE 23 -1.098 -3.621 4.043 148 HD1 PHE 23 HD1 PHE 23 -0.508 -2.133 6.463 149 HD2 PHE 23 HD2 PHE 23 -2.117 -6.058 6.047 150 HE1 PHE 23 HE1 PHE 23 0.362 -2.728 8.684 151 HE2 PHE 23 HE2 PHE 23 -1.249 -6.649 8.267 152 HZ PHE 23 HZ PHE 23 -0.008 -4.986 9.589 153 H CYS 24 HN CYS 24 -2.375 -0.602 6.330 154 HA CYS 24 HA CYS 24 -0.392 0.864 4.745 155 HB2 CYS 24 HB2 CYS 24 -2.520 2.011 5.594 156 HB3 CYS 24 HB1 CYS 24 -1.820 1.848 7.201 157 H GLY 25 HN GLY 25 1.619 1.390 5.662 158 HA2 GLY 25 HA2 GLY 25 2.449 1.149 8.281 159 HA3 GLY 25 HA1 GLY 25 2.616 -0.460 7.607 160 H SER 26 HN SER 26 4.737 -0.771 7.326 161 HA SER 26 HA SER 26 6.205 1.086 5.600 162 HB2 SER 26 HB2 SER 26 7.158 0.138 8.302 163 HB3 SER 26 HB1 SER 26 8.198 0.911 7.106 164 HG SER 26 HG SER 26 6.922 2.171 8.886 165 H THR 27 HN THR 27 5.652 -2.096 6.772 166 HA THR 27 HA THR 27 7.947 -3.468 5.916 167 HB THR 27 HB THR 27 5.206 -4.703 5.845 168 HG1 THR 27 HG1 THR 27 4.955 -4.094 7.847 169 HG21 THR 27 HG21 THR 27 7.098 -6.150 5.259 170 HG22 THR 27 HG22 THR 27 6.364 -6.653 6.781 171 HG23 THR 27 HG23 THR 27 7.880 -5.751 6.790 172 H SER 28 HN SER 28 8.088 -5.038 4.109 173 HA SER 28 HA SER 28 7.507 -3.757 1.603 174 HB2 SER 28 HB2 SER 28 8.878 -6.363 2.264 175 HB3 SER 28 HB1 SER 28 8.760 -5.688 0.641 176 HG SER 28 HG SER 28 9.683 -3.844 2.380 177 H GLU 29 HN GLU 29 5.148 -3.952 2.149 178 HA GLU 29 HA GLU 29 3.934 -5.973 0.501 179 HB2 GLU 29 HB2 GLU 29 3.398 -5.891 3.477 180 HB3 GLU 29 HB1 GLU 29 2.201 -6.501 2.347 181 HG2 GLU 29 HG2 GLU 29 4.982 -7.622 2.463 182 HG3 GLU 29 HG1 GLU 29 3.699 -8.191 3.529 183 H TYR 30 HN TYR 30 3.606 -3.378 2.787 184 HA TYR 30 HA TYR 30 1.223 -2.309 1.510 185 HB2 TYR 30 HB2 TYR 30 2.333 -0.654 3.621 186 HB3 TYR 30 HB1 TYR 30 0.740 -1.381 3.506 187 HD1 TYR 30 HD1 TYR 30 1.019 -4.190 3.840 188 HD2 TYR 30 HD2 TYR 30 3.405 -1.131 5.587 189 HE1 TYR 30 HE1 TYR 30 1.583 -5.698 5.695 190 HE2 TYR 30 HE2 TYR 30 3.974 -2.631 7.443 191 HH TYR 30 HH TYR 30 3.356 -5.965 7.372 192 H CYS 31 HN CYS 31 4.625 -1.841 1.667 193 HA CYS 31 HA CYS 31 4.457 0.306 -0.277 194 HB2 CYS 31 HB2 CYS 31 6.396 0.707 1.975 195 HB3 CYS 31 HB1 CYS 31 5.721 1.889 0.866 196 H SER 32 HN SER 32 5.345 -0.903 -1.891 197 HA SER 32 HA SER 32 8.152 -1.716 -1.466 198 HB2 SER 32 HB2 SER 32 6.078 -3.336 -2.942 199 HB3 SER 32 HB1 SER 32 7.793 -3.728 -2.836 200 HG SER 32 HG SER 32 5.886 -3.650 -0.744 201 H ARG 33 HN ARG 33 5.853 -0.218 -3.528 202 HA ARG 33 HA ARG 33 6.031 1.051 -5.400 203 HB2 ARG 33 HB2 ARG 33 9.002 0.572 -5.154 204 HB3 ARG 33 HB1 ARG 33 8.280 1.605 -6.375 205 HG2 ARG 33 HG2 ARG 33 7.745 2.105 -3.473 206 HG3 ARG 33 HG1 ARG 33 9.245 2.656 -4.214 207 HD2 ARG 33 HD2 ARG 33 6.524 3.327 -5.320 208 HD3 ARG 33 HD1 ARG 33 7.356 4.336 -4.139 209 HE ARG 33 HE ARG 33 9.106 3.892 -6.267 210 HH11 ARG 33 HH11 ARG 33 6.065 5.560 -5.709 211 HH12 ARG 33 HH12 ARG 33 6.350 6.735 -6.950 212 HH21 ARG 33 HH21 ARG 33 9.457 5.440 -7.885 213 HH22 ARG 33 HH22 ARG 33 8.270 6.666 -8.180 214 H ALA 34 HN ALA 34 8.014 -1.847 -5.584 215 HA ALA 34 HA ALA 34 7.416 -2.215 -8.405 216 HB1 ALA 34 HB1 ALA 34 9.006 -3.959 -6.530 217 HB2 ALA 34 HB2 ALA 34 9.669 -2.711 -7.584 218 HB3 ALA 34 HB3 ALA 34 8.904 -4.138 -8.281 219 H ASN 35 HN ASN 35 6.498 -3.484 -5.316 220 HA ASN 35 HA ASN 35 4.401 -5.115 -6.579 221 HB2 ASN 35 HB2 ASN 35 6.199 -5.901 -4.280 222 HB3 ASN 35 HB1 ASN 35 4.690 -6.734 -4.643 223 HD21 ASN 35 HD21 ASN 35 7.940 -6.094 -5.685 224 HD22 ASN 35 HD22 ASN 35 8.017 -7.337 -6.883 225 H GLY 36 HN GLY 36 5.264 -2.695 -4.411 226 HA2 GLY 36 HA2 GLY 36 2.538 -2.580 -3.341 227 HA3 GLY 36 HA1 GLY 36 3.877 -2.573 -2.201 228 H CYS 37 HN CYS 37 3.414 -0.544 -1.409 229 HA CYS 37 HA CYS 37 3.282 1.712 -1.230 230 HB2 CYS 37 HB2 CYS 37 5.667 1.632 -1.447 231 HB3 CYS 37 HB1 CYS 37 5.562 1.492 -3.196 232 H GLN 38 HN GLN 38 1.548 2.675 -1.784 233 HA GLN 38 HA GLN 38 1.172 3.479 -4.589 234 HB2 GLN 38 HB2 GLN 38 -1.020 2.619 -2.684 235 HB3 GLN 38 HB1 GLN 38 -1.238 3.144 -4.349 236 HG2 GLN 38 HG2 GLN 38 0.585 0.852 -3.859 237 HG3 GLN 38 HG1 GLN 38 -1.149 0.576 -3.682 238 HE21 GLN 38 HE21 GLN 38 1.424 1.359 -5.875 239 HE22 GLN 38 HE22 GLN 38 0.535 1.110 -7.334 240 H SER 39 HN SER 39 0.720 4.108 -1.175 241 HA SER 39 HA SER 39 -0.195 6.820 -1.602 242 HB2 SER 39 HB2 SER 39 -0.932 5.219 0.273 243 HB3 SER 39 HB1 SER 39 0.622 5.588 1.022 244 HG SER 39 HG SER 39 -1.396 7.457 0.319 245 H ASN 40 HN ASN 40 1.202 7.861 0.745 246 HA ASN 40 HA ASN 40 3.607 8.785 -0.555 247 HB2 ASN 40 HB2 ASN 40 1.843 10.067 0.928 248 HB3 ASN 40 HB1 ASN 40 2.858 9.501 2.249 249 HD21 ASN 40 HD21 ASN 40 2.673 11.550 -0.552 250 HD22 ASN 40 HD22 ASN 40 4.098 12.471 -0.226 251 H CYS 41 HN CYS 41 4.769 6.755 -0.563 252 HA CYS 41 HA CYS 41 5.735 5.884 2.052 253 HB2 CYS 41 HB2 CYS 41 6.326 3.816 1.128 254 HB3 CYS 41 HB1 CYS 41 4.837 4.222 0.287 255 H ARG 42 HN ARG 42 7.070 6.680 -1.111 256 HA ARG 42 HA ARG 42 9.662 7.258 0.134 257 HB2 ARG 42 HB2 ARG 42 8.837 6.218 -2.490 258 HB3 ARG 42 HB1 ARG 42 10.112 7.421 -2.562 259 HG2 ARG 42 HG2 ARG 42 11.297 5.444 -2.449 260 HG3 ARG 42 HG1 ARG 42 11.275 5.959 -0.765 261 HD2 ARG 42 HD2 ARG 42 9.242 4.044 -1.897 262 HD3 ARG 42 HD1 ARG 42 10.784 3.503 -1.236 263 HE ARG 42 HE ARG 42 9.359 5.192 0.576 264 HH11 ARG 42 HH11 ARG 42 9.567 1.880 -0.573 265 HH12 ARG 42 HH12 ARG 42 8.899 1.213 0.879 266 HH21 ARG 42 HH21 ARG 42 8.486 4.297 2.468 267 HH22 ARG 42 HH22 ARG 42 8.287 2.582 2.598 268 H GLY 43 HN GLY 43 7.044 8.692 -1.622 269 HA2 GLY 43 HA2 GLY 43 7.176 11.244 -0.907 270 HA3 GLY 43 HA1 GLY 43 8.481 11.190 -2.083
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