NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
576147 | 2mhp | 19646 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 49.337 7.215 -7.964 2 H2 GLY 1 HT2 GLY 1 47.710 6.823 -8.257 3 H3 GLY 1 HT3 GLY 1 48.769 5.652 -7.627 4 HA2 GLY 1 HA2 GLY 1 47.466 7.907 -6.289 5 HA3 GLY 1 HA1 GLY 1 47.727 6.260 -5.713 6 H ALA 2 HN ALA 2 50.407 7.739 -7.248 7 HA ALA 2 HA ALA 2 52.500 8.279 -6.456 8 HB1 ALA 2 HB1 ALA 2 50.849 9.679 -4.338 9 HB2 ALA 2 HB2 ALA 2 51.266 10.349 -5.916 10 HB3 ALA 2 HB3 ALA 2 52.534 10.019 -4.734 11 H MET 3 HN MET 3 51.539 5.736 -5.616 12 HA MET 3 HA MET 3 52.355 5.478 -2.802 13 HB2 MET 3 HB2 MET 3 50.321 4.294 -3.613 14 HB3 MET 3 HB1 MET 3 51.335 3.374 -4.725 15 HG2 MET 3 HG2 MET 3 52.567 2.387 -2.895 16 HG3 MET 3 HG1 MET 3 51.765 3.437 -1.728 17 HE1 MET 3 HE1 MET 3 50.265 -0.146 -4.027 18 HE2 MET 3 HE2 MET 3 51.490 1.037 -4.473 19 HE3 MET 3 HE3 MET 3 49.794 1.367 -4.810 20 H GLY 4 HN GLY 4 54.435 5.192 -2.372 21 HA2 GLY 4 HA2 GLY 4 56.411 4.589 -4.301 22 HA3 GLY 4 HA1 GLY 4 56.638 4.551 -2.555 23 H SER 5 HN SER 5 54.764 2.591 -1.873 24 HA SER 5 HA SER 5 54.674 0.316 -1.561 25 HB2 SER 5 HB2 SER 5 53.489 0.201 -3.597 26 HB3 SER 5 HB1 SER 5 54.926 0.546 -4.554 27 HG SER 5 HG SER 5 53.965 -1.813 -3.719 28 H CYS 6 HN CYS 6 57.424 1.843 -2.092 29 HA CYS 6 HA CYS 6 59.174 -0.405 -2.668 30 HB2 CYS 6 HB2 CYS 6 60.973 1.305 -2.195 31 HB3 CYS 6 HB1 CYS 6 59.881 1.720 -3.516 32 H ARG 7 HN ARG 7 58.017 -1.476 -0.693 33 HA ARG 7 HA ARG 7 58.114 -2.224 1.481 34 HB2 ARG 7 HB2 ARG 7 60.998 -1.634 1.800 35 HB3 ARG 7 HB1 ARG 7 60.156 -3.176 1.843 36 HG2 ARG 7 HG2 ARG 7 59.965 -2.915 -0.723 37 HG3 ARG 7 HG1 ARG 7 61.225 -1.694 -0.546 38 HD2 ARG 7 HD2 ARG 7 62.632 -3.362 0.645 39 HD3 ARG 7 HD1 ARG 7 61.389 -4.579 0.362 40 HE ARG 7 HE ARG 7 63.286 -3.586 -1.566 41 HH11 ARG 7 HH21 ARG 7 60.132 -4.916 -1.060 42 HH12 ARG 7 HH22 ARG 7 60.008 -5.587 -2.652 43 HH21 ARG 7 HH11 ARG 7 63.132 -4.462 -3.655 44 HH22 ARG 7 HH12 ARG 7 61.707 -5.330 -4.121 45 HA PRO 8 HA PRO 8 57.928 0.712 4.803 46 HB2 PRO 8 HB2 PRO 8 60.646 -0.165 5.769 47 HB3 PRO 8 HB1 PRO 8 59.164 0.129 6.710 48 HG2 PRO 8 HG2 PRO 8 59.858 -2.333 6.152 49 HG3 PRO 8 HG1 PRO 8 58.166 -1.841 5.997 50 HD2 PRO 8 HD2 PRO 8 60.191 -2.344 3.870 51 HD3 PRO 8 HD1 PRO 8 58.437 -2.651 3.841 52 HA PRO 9 HA PRO 9 60.741 3.640 2.698 53 HB2 PRO 9 HB2 PRO 9 59.044 5.704 2.373 54 HB3 PRO 9 HB1 PRO 9 58.910 4.232 1.390 55 HG2 PRO 9 HG2 PRO 9 57.297 5.073 3.757 56 HG3 PRO 9 HG1 PRO 9 56.772 4.290 2.256 57 HD2 PRO 9 HD2 PRO 9 57.258 2.952 4.669 58 HD3 PRO 9 HD1 PRO 9 57.228 2.178 3.070 59 H MET 10 HN MET 10 62.027 5.331 3.460 60 HA MET 10 HA MET 10 61.404 6.355 6.165 61 HB2 MET 10 HB2 MET 10 64.010 5.665 4.791 62 HB3 MET 10 HB1 MET 10 63.957 6.744 6.185 63 HG2 MET 10 HG2 MET 10 64.374 4.388 6.866 64 HG3 MET 10 HG1 MET 10 62.872 5.017 7.535 65 HE1 MET 10 HE1 MET 10 63.513 2.097 4.107 66 HE2 MET 10 HE2 MET 10 64.545 3.409 4.665 67 HE3 MET 10 HE3 MET 10 63.192 3.759 3.597 68 H VAL 11 HN VAL 11 63.179 7.219 3.152 69 HA VAL 11 HA VAL 11 62.243 10.020 3.531 70 HB VAL 11 HB VAL 11 64.827 9.348 2.129 71 HG11 VAL 11 HG11 VAL 11 63.681 11.645 2.123 72 HG12 VAL 11 HG12 VAL 11 65.371 11.613 2.629 73 HG13 VAL 11 HG13 VAL 11 64.090 11.736 3.835 74 HG21 VAL 11 HG21 VAL 11 64.315 9.497 5.100 75 HG22 VAL 11 HG22 VAL 11 65.898 9.832 4.405 76 HG23 VAL 11 HG23 VAL 11 65.162 8.243 4.195 77 H LYS 12 HN LYS 12 61.038 10.712 1.883 78 HA LYS 12 HA LYS 12 60.841 9.095 -0.540 79 HB2 LYS 12 HB2 LYS 12 58.820 10.003 0.661 80 HB3 LYS 12 HB1 LYS 12 59.336 11.621 0.190 81 HG2 LYS 12 HG2 LYS 12 59.165 11.055 -2.161 82 HG3 LYS 12 HG1 LYS 12 58.822 9.369 -1.771 83 HD2 LYS 12 HD2 LYS 12 56.762 10.077 -0.587 84 HD3 LYS 12 HD1 LYS 12 57.091 11.749 -1.036 85 HE2 LYS 12 HE2 LYS 12 56.746 9.496 -3.032 86 HE3 LYS 12 HE1 LYS 12 55.462 10.610 -2.567 87 HZ1 LYS 12 HZ1 LYS 12 58.067 11.393 -3.751 88 HZ2 LYS 12 HZ2 LYS 12 56.799 12.448 -3.341 89 HZ3 LYS 12 HZ3 LYS 12 56.595 11.315 -4.590 90 H LEU 13 HN LEU 13 61.652 9.593 -2.438 91 HA LEU 13 HA LEU 13 62.755 12.298 -2.906 92 HB2 LEU 13 HB2 LEU 13 64.785 11.419 -3.769 93 HB3 LEU 13 HB1 LEU 13 64.517 10.595 -2.238 94 HG LEU 13 HG LEU 13 63.255 8.837 -3.862 95 HD11 LEU 13 HD11 LEU 13 63.957 8.776 -6.050 96 HD12 LEU 13 HD12 LEU 13 65.551 9.432 -5.691 97 HD13 LEU 13 HD13 LEU 13 64.163 10.508 -5.820 98 HD21 LEU 13 HD21 LEU 13 65.104 8.350 -2.307 99 HD22 LEU 13 HD22 LEU 13 66.254 8.942 -3.507 100 HD23 LEU 13 HD23 LEU 13 65.289 7.506 -3.844 101 H VAL 14 HN VAL 14 61.953 13.155 -4.695 102 HA VAL 14 HA VAL 14 60.888 11.326 -6.741 103 HB VAL 14 HB VAL 14 59.342 13.192 -7.313 104 HG11 VAL 14 HG11 VAL 14 58.002 13.093 -5.215 105 HG12 VAL 14 HG12 VAL 14 59.404 12.423 -4.382 106 HG13 VAL 14 HG13 VAL 14 58.628 11.507 -5.671 107 HG21 VAL 14 HG21 VAL 14 59.267 15.088 -5.584 108 HG22 VAL 14 HG22 VAL 14 60.645 15.115 -6.685 109 HG23 VAL 14 HG23 VAL 14 60.841 14.521 -5.038 110 H CYS 15 HN CYS 15 61.056 12.120 -8.968 111 HA CYS 15 HA CYS 15 63.604 13.582 -9.369 112 HB2 CYS 15 HB2 CYS 15 62.326 11.269 -10.706 113 HB3 CYS 15 HB1 CYS 15 63.188 12.381 -11.759 114 HA PRO 16 HA PRO 16 60.784 16.925 -10.783 115 HB2 PRO 16 HB2 PRO 16 63.484 17.860 -11.668 116 HB3 PRO 16 HB1 PRO 16 62.175 18.788 -10.912 117 HG2 PRO 16 HG2 PRO 16 64.278 18.017 -9.510 118 HG3 PRO 16 HG1 PRO 16 62.660 17.969 -8.802 119 HD2 PRO 16 HD2 PRO 16 64.385 15.725 -9.712 120 HD3 PRO 16 HD1 PRO 16 63.139 15.744 -8.451 121 H ALA 17 HN ALA 17 60.856 18.195 -13.020 122 HA ALA 17 HA ALA 17 60.322 16.392 -15.070 123 HB1 ALA 17 HB1 ALA 17 60.138 18.310 -16.509 124 HB2 ALA 17 HB2 ALA 17 61.154 19.274 -15.437 125 HB3 ALA 17 HB3 ALA 17 59.540 18.789 -14.919 126 H ASP 18 HN ASP 18 63.214 18.382 -14.475 127 HA ASP 18 HA ASP 18 64.620 16.871 -16.567 128 HB2 ASP 18 HB2 ASP 18 65.365 19.403 -15.099 129 HB3 ASP 18 HB1 ASP 18 66.430 18.575 -16.228 130 H ASN 19 HN ASN 19 63.913 16.469 -13.483 131 HA ASN 19 HA ASN 19 64.747 15.173 -11.808 132 HB2 ASN 19 HB2 ASN 19 67.034 14.435 -13.592 133 HB3 ASN 19 HB1 ASN 19 66.286 13.490 -12.306 134 HD21 ASN 19 HD21 ASN 19 63.518 14.320 -13.257 135 HD22 ASN 19 HD22 ASN 19 63.236 13.377 -14.640 136 H LEU 20 HN LEU 20 65.341 17.771 -11.459 137 HA LEU 20 HA LEU 20 68.121 18.296 -11.224 138 HB2 LEU 20 HB2 LEU 20 65.802 19.715 -9.910 139 HB3 LEU 20 HB1 LEU 20 67.448 20.307 -9.951 140 HG LEU 20 HG LEU 20 66.385 21.490 -11.704 141 HD11 LEU 20 HD11 LEU 20 68.501 20.227 -12.396 142 HD12 LEU 20 HD12 LEU 20 67.467 20.817 -13.699 143 HD13 LEU 20 HD13 LEU 20 67.430 19.114 -13.243 144 HD21 LEU 20 HD21 LEU 20 65.180 18.951 -12.822 145 HD22 LEU 20 HD22 LEU 20 64.771 20.622 -13.220 146 HD23 LEU 20 HD23 LEU 20 64.335 19.959 -11.652 147 H ARG 21 HN ARG 21 65.709 17.199 -8.926 148 HA ARG 21 HA ARG 21 67.359 17.374 -6.638 149 HB2 ARG 21 HB2 ARG 21 64.899 17.105 -6.550 150 HB3 ARG 21 HB1 ARG 21 65.073 15.466 -7.178 151 HG2 ARG 21 HG2 ARG 21 66.444 14.852 -5.217 152 HG3 ARG 21 HG1 ARG 21 66.271 16.491 -4.586 153 HD2 ARG 21 HD2 ARG 21 63.965 14.608 -5.161 154 HD3 ARG 21 HD1 ARG 21 64.651 14.894 -3.562 155 HE ARG 21 HE ARG 21 62.936 16.699 -5.064 156 HH11 ARG 21 HH21 ARG 21 65.256 16.286 -2.532 157 HH12 ARG 21 HH22 ARG 21 64.770 17.705 -1.665 158 HH21 ARG 21 HH11 ARG 21 62.294 18.564 -3.937 159 HH22 ARG 21 HH12 ARG 21 63.092 18.996 -2.461 160 H ALA 22 HN ALA 22 66.753 14.739 -8.945 161 HA ALA 22 HA ALA 22 68.776 13.068 -7.619 162 HB1 ALA 22 HB1 ALA 22 67.160 12.318 -10.045 163 HB2 ALA 22 HB2 ALA 22 66.491 12.206 -8.417 164 HB3 ALA 22 HB3 ALA 22 67.914 11.258 -8.853 165 H GLU 23 HN GLU 23 68.735 15.448 -9.869 166 HA GLU 23 HA GLU 23 70.129 16.088 -11.592 167 HB2 GLU 23 HB2 GLU 23 71.972 14.333 -9.958 168 HB3 GLU 23 HB1 GLU 23 72.517 15.341 -11.298 169 HG2 GLU 23 HG2 GLU 23 71.669 17.344 -10.172 170 HG3 GLU 23 HG1 GLU 23 71.037 16.357 -8.855 171 H GLY 24 HN GLY 24 68.719 13.262 -11.569 172 HA2 GLY 24 HA2 GLY 24 68.338 11.712 -13.243 173 HA3 GLY 24 HA1 GLY 24 69.506 12.572 -14.242 174 H LEU 25 HN LEU 25 71.798 12.434 -12.763 175 HA LEU 25 HA LEU 25 72.755 9.837 -13.314 176 HB2 LEU 25 HB2 LEU 25 74.252 11.752 -13.298 177 HB3 LEU 25 HB1 LEU 25 73.912 12.047 -11.597 178 HG LEU 25 HG LEU 25 74.961 9.916 -10.983 179 HD11 LEU 25 HD11 LEU 25 74.524 8.441 -12.769 180 HD12 LEU 25 HD12 LEU 25 76.255 8.744 -12.915 181 HD13 LEU 25 HD13 LEU 25 75.118 9.578 -13.978 182 HD21 LEU 25 HD21 LEU 25 76.372 11.946 -11.237 183 HD22 LEU 25 HD22 LEU 25 76.692 11.493 -12.912 184 HD23 LEU 25 HD23 LEU 25 77.268 10.470 -11.596 185 H GLU 26 HN GLU 26 71.810 11.419 -10.281 186 HA GLU 26 HA GLU 26 72.411 9.085 -8.688 187 HB2 GLU 26 HB2 GLU 26 72.575 11.395 -7.779 188 HB3 GLU 26 HB1 GLU 26 70.826 11.553 -7.944 189 HG2 GLU 26 HG2 GLU 26 70.495 9.641 -6.432 190 HG3 GLU 26 HG1 GLU 26 72.241 9.449 -6.282 191 H CYS 27 HN CYS 27 70.958 7.677 -7.754 192 HA CYS 27 HA CYS 27 68.106 7.915 -8.312 193 HB2 CYS 27 HB2 CYS 27 68.433 5.326 -9.152 194 HB3 CYS 27 HB1 CYS 27 68.328 6.703 -10.248 195 H THR 28 HN THR 28 70.710 5.784 -7.145 196 HA THR 28 HA THR 28 69.133 5.296 -4.692 197 HB THR 28 HB THR 28 69.771 2.948 -4.711 198 HG1 THR 28 HG1 THR 28 71.689 3.583 -6.129 199 HG21 THR 28 HG21 THR 28 68.563 3.803 -7.357 200 HG22 THR 28 HG22 THR 28 67.677 3.620 -5.844 201 HG23 THR 28 HG23 THR 28 68.404 2.211 -6.615 202 H LYS 29 HN LYS 29 70.438 4.582 -2.887 203 HA LYS 29 HA LYS 29 73.318 5.067 -3.058 204 HB2 LYS 29 HB2 LYS 29 72.218 7.272 -2.512 205 HB3 LYS 29 HB1 LYS 29 71.621 6.525 -1.033 206 HG2 LYS 29 HG2 LYS 29 74.200 5.885 -0.744 207 HG3 LYS 29 HG1 LYS 29 74.423 7.283 -1.787 208 HD2 LYS 29 HD2 LYS 29 74.457 8.272 0.333 209 HD3 LYS 29 HD1 LYS 29 72.766 8.462 -0.119 210 HE2 LYS 29 HE2 LYS 29 72.600 6.029 1.064 211 HE3 LYS 29 HE1 LYS 29 73.982 6.672 1.951 212 HZ1 LYS 29 HZ1 LYS 29 71.790 8.521 1.614 213 HZ2 LYS 29 HZ2 LYS 29 72.718 8.167 2.992 214 HZ3 LYS 29 HZ3 LYS 29 71.421 7.161 2.556 215 H THR 30 HN THR 30 73.656 2.926 -2.513 216 HA THR 30 HA THR 30 73.057 2.337 0.312 217 HB THR 30 HB THR 30 71.559 0.796 -0.269 218 HG1 THR 30 HG1 THR 30 72.541 -1.171 -1.153 219 HG21 THR 30 HG21 THR 30 71.031 1.549 -2.396 220 HG22 THR 30 HG22 THR 30 71.483 -0.132 -2.670 221 HG23 THR 30 HG23 THR 30 72.625 1.159 -3.041 222 H CYS 31 HN CYS 31 74.520 0.787 1.203 223 HA CYS 31 HA CYS 31 77.141 1.249 0.700 224 HB2 CYS 31 HB2 CYS 31 76.075 0.014 2.642 225 HB3 CYS 31 HB1 CYS 31 76.141 -1.428 1.635 226 H GLN 32 HN GLN 32 75.028 -0.615 -1.234 227 HA GLN 32 HA GLN 32 77.134 -2.221 -2.435 228 HB2 GLN 32 HB2 GLN 32 75.400 -3.204 -3.764 229 HB3 GLN 32 HB1 GLN 32 74.785 -3.037 -2.118 230 HG2 GLN 32 HG2 GLN 32 73.818 -0.791 -2.853 231 HG3 GLN 32 HG1 GLN 32 74.167 -1.283 -4.502 232 HE21 GLN 32 HE21 GLN 32 71.699 -1.132 -4.691 233 HE22 GLN 32 HE22 GLN 32 70.793 -2.495 -4.240 234 H ASN 33 HN ASN 33 75.106 0.563 -3.416 235 HA ASN 33 HA ASN 33 76.779 0.886 -5.839 236 HB2 ASN 33 HB2 ASN 33 73.994 1.793 -5.150 237 HB3 ASN 33 HB1 ASN 33 74.878 2.335 -6.574 238 HD21 ASN 33 HD21 ASN 33 72.444 0.814 -6.796 239 HD22 ASN 33 HD22 ASN 33 72.830 -0.699 -7.463 240 H TYR 34 HN TYR 34 76.520 2.061 -2.737 241 HA TYR 34 HA TYR 34 76.508 4.771 -2.798 242 HB2 TYR 34 HB2 TYR 34 76.965 3.201 -0.816 243 HB3 TYR 34 HB1 TYR 34 78.656 3.251 -1.310 244 HD1 TYR 34 HD2 TYR 34 79.817 5.514 -1.496 245 HD2 TYR 34 HD1 TYR 34 75.987 4.995 0.355 246 HE1 TYR 34 HE2 TYR 34 80.049 7.721 -0.387 247 HE2 TYR 34 HE1 TYR 34 76.205 7.201 1.454 248 HH TYR 34 HH TYR 34 78.708 9.426 0.612 249 H ASP 35 HN ASP 35 79.402 2.717 -3.373 250 HA ASP 35 HA ASP 35 80.774 5.023 -4.605 251 HB2 ASP 35 HB2 ASP 35 81.857 3.810 -2.708 252 HB3 ASP 35 HB1 ASP 35 81.922 2.375 -3.733 253 H LEU 36 HN LEU 36 78.944 2.351 -5.443 254 HA LEU 36 HA LEU 36 80.402 1.965 -7.999 255 HB2 LEU 36 HB2 LEU 36 78.449 0.000 -6.832 256 HB3 LEU 36 HB1 LEU 36 79.554 -0.234 -8.170 257 HG LEU 36 HG LEU 36 80.401 0.309 -5.316 258 HD11 LEU 36 HD11 LEU 36 79.272 -1.946 -5.846 259 HD12 LEU 36 HD12 LEU 36 80.882 -2.010 -5.126 260 HD13 LEU 36 HD13 LEU 36 80.679 -2.275 -6.855 261 HD21 LEU 36 HD21 LEU 36 82.619 -0.564 -6.336 262 HD22 LEU 36 HD22 LEU 36 82.135 1.080 -6.741 263 HD23 LEU 36 HD23 LEU 36 81.881 -0.224 -7.901 264 H GLU 37 HN GLU 37 78.855 1.176 -9.774 265 HA GLU 37 HA GLU 37 77.239 3.247 -10.563 266 HB2 GLU 37 HB2 GLU 37 76.105 1.508 -12.061 267 HB3 GLU 37 HB1 GLU 37 77.854 1.662 -12.210 268 HG2 GLU 37 HG2 GLU 37 77.291 -0.691 -12.114 269 HG3 GLU 37 HG1 GLU 37 78.107 -0.256 -10.616 270 H CYS 38 HN CYS 38 74.994 3.562 -10.714 271 HA CYS 38 HA CYS 38 73.489 2.462 -8.422 272 HB2 CYS 38 HB2 CYS 38 73.593 4.833 -8.313 273 HB3 CYS 38 HB1 CYS 38 73.240 5.003 -10.030 274 H MET 39 HN MET 39 71.230 2.018 -8.705 275 HA MET 39 HA MET 39 70.720 0.487 -11.095 276 HB2 MET 39 HB2 MET 39 69.002 1.094 -8.673 277 HB3 MET 39 HB1 MET 39 68.566 -0.038 -9.954 278 HG2 MET 39 HG2 MET 39 71.077 -0.245 -8.267 279 HG3 MET 39 HG1 MET 39 69.600 -1.158 -7.962 280 HE1 MET 39 HE1 MET 39 68.676 -2.038 -11.183 281 HE2 MET 39 HE2 MET 39 68.426 -2.453 -9.490 282 HE3 MET 39 HE3 MET 39 69.164 -3.627 -10.578 283 H SER 40 HN SER 40 69.128 0.868 -12.636 284 HA SER 40 HA SER 40 68.695 3.539 -13.401 285 HB2 SER 40 HB2 SER 40 68.603 1.659 -14.986 286 HB3 SER 40 HB1 SER 40 67.143 1.065 -14.202 287 HG SER 40 HG SER 40 66.046 2.825 -14.908 288 H MET 41 HN MET 41 66.608 1.221 -11.712 289 HA MET 41 HA MET 41 64.479 3.202 -11.425 290 HB2 MET 41 HB2 MET 41 63.952 0.814 -11.856 291 HB3 MET 41 HB1 MET 41 64.690 0.394 -10.310 292 HG2 MET 41 HG2 MET 41 63.064 1.820 -9.132 293 HG3 MET 41 HG1 MET 41 62.339 2.277 -10.672 294 HE1 MET 41 HE1 MET 41 63.530 -0.961 -8.732 295 HE2 MET 41 HE2 MET 41 61.938 -1.578 -8.299 296 HE3 MET 41 HE3 MET 41 62.427 0.028 -7.767 297 H GLY 42 HN GLY 42 64.217 4.478 -9.706 298 HA2 GLY 42 HA2 GLY 42 64.385 4.136 -7.080 299 HA3 GLY 42 HA1 GLY 42 66.100 4.271 -7.470 300 H CYS 43 HN CYS 43 65.758 6.163 -9.624 301 HA CYS 43 HA CYS 43 65.821 8.583 -8.143 302 HB2 CYS 43 HB2 CYS 43 66.928 9.169 -10.049 303 HB3 CYS 43 HB1 CYS 43 66.322 7.743 -10.874 304 H VAL 44 HN VAL 44 63.378 7.046 -10.148 305 HA VAL 44 HA VAL 44 61.561 9.272 -9.847 306 HB VAL 44 HB VAL 44 60.015 7.901 -11.163 307 HG11 VAL 44 HG11 VAL 44 61.363 7.718 -13.198 308 HG12 VAL 44 HG12 VAL 44 62.846 7.749 -12.244 309 HG13 VAL 44 HG13 VAL 44 61.813 9.177 -12.317 310 HG21 VAL 44 HG21 VAL 44 60.330 5.687 -10.391 311 HG22 VAL 44 HG22 VAL 44 62.079 5.765 -10.594 312 HG23 VAL 44 HG23 VAL 44 61.031 5.651 -12.009 313 H SER 45 HN SER 45 60.163 9.532 -8.302 314 HA SER 45 HA SER 45 59.418 9.141 -6.100 315 HB2 SER 45 HB2 SER 45 57.601 8.857 -7.876 316 HB3 SER 45 HB1 SER 45 57.761 7.128 -7.596 317 HG SER 45 HG SER 45 57.640 8.151 -5.228 318 H GLY 46 HN GLY 46 61.050 8.162 -4.901 319 HA2 GLY 46 HA2 GLY 46 60.737 5.272 -4.426 320 HA3 GLY 46 HA1 GLY 46 62.330 5.861 -4.893 321 H CYS 47 HN CYS 47 61.787 4.573 -2.493 322 HA CYS 47 HA CYS 47 62.215 6.723 -0.488 323 HB2 CYS 47 HB2 CYS 47 61.196 5.282 1.171 324 HB3 CYS 47 HB1 CYS 47 60.072 5.549 -0.158 325 H LEU 48 HN LEU 48 64.203 6.773 0.239 326 HA LEU 48 HA LEU 48 65.719 4.224 0.475 327 HB2 LEU 48 HB2 LEU 48 66.844 6.959 -0.161 328 HB3 LEU 48 HB1 LEU 48 67.726 5.432 -0.117 329 HG LEU 48 HG LEU 48 65.435 6.072 -1.998 330 HD11 LEU 48 HD11 LEU 48 67.188 6.185 -3.732 331 HD12 LEU 48 HD12 LEU 48 68.424 5.825 -2.528 332 HD13 LEU 48 HD13 LEU 48 67.545 7.350 -2.455 333 HD21 LEU 48 HD21 LEU 48 66.543 3.952 -3.143 334 HD22 LEU 48 HD22 LEU 48 65.435 3.723 -1.798 335 HD23 LEU 48 HD23 LEU 48 67.171 3.637 -1.525 336 H CYS 49 HN CYS 49 67.837 4.926 1.854 337 HA CYS 49 HA CYS 49 66.746 5.685 4.459 338 HB2 CYS 49 HB2 CYS 49 69.457 4.581 3.682 339 HB3 CYS 49 HB1 CYS 49 68.871 4.795 5.324 340 HA PRO 50 HA PRO 50 68.217 9.869 4.740 341 HB2 PRO 50 HB2 PRO 50 69.923 8.840 6.991 342 HB3 PRO 50 HB1 PRO 50 68.921 10.302 6.929 343 HG2 PRO 50 HG2 PRO 50 68.094 8.072 8.169 344 HG3 PRO 50 HG1 PRO 50 66.974 9.151 7.323 345 HD2 PRO 50 HD2 PRO 50 67.841 6.428 6.573 346 HD3 PRO 50 HD1 PRO 50 66.434 7.354 6.012 347 HA PRO 51 HA PRO 51 72.123 10.244 2.597 348 HB2 PRO 51 HB2 PRO 51 73.067 12.207 4.658 349 HB3 PRO 51 HB1 PRO 51 72.991 12.376 2.892 350 HG2 PRO 51 HG2 PRO 51 71.227 13.591 4.466 351 HG3 PRO 51 HG1 PRO 51 70.743 12.896 2.908 352 HD2 PRO 51 HD2 PRO 51 70.254 11.848 5.677 353 HD3 PRO 51 HD1 PRO 51 69.225 11.762 4.230 354 H GLY 52 HN GLY 52 72.645 10.383 6.128 355 HA2 GLY 52 HA2 GLY 52 75.248 9.174 5.983 356 HA3 GLY 52 HA1 GLY 52 74.339 9.520 7.449 357 H MET 53 HN MET 53 72.204 7.928 5.684 358 HA MET 53 HA MET 53 73.025 5.250 6.708 359 HB2 MET 53 HB2 MET 53 70.246 6.375 6.364 360 HB3 MET 53 HB1 MET 53 70.627 4.729 6.864 361 HG2 MET 53 HG2 MET 53 72.106 6.007 8.702 362 HG3 MET 53 HG1 MET 53 70.936 7.288 8.396 363 HE1 MET 53 HE1 MET 53 71.099 3.391 8.749 364 HE2 MET 53 HE2 MET 53 70.386 3.230 10.351 365 HE3 MET 53 HE3 MET 53 71.847 4.189 10.139 366 H VAL 54 HN VAL 54 72.474 3.405 5.556 367 HA VAL 54 HA VAL 54 72.036 3.876 2.667 368 HB VAL 54 HB VAL 54 73.612 1.779 2.433 369 HG11 VAL 54 HG11 VAL 54 75.681 3.291 2.780 370 HG12 VAL 54 HG12 VAL 54 74.518 4.541 3.224 371 HG13 VAL 54 HG13 VAL 54 74.462 3.820 1.621 372 HG21 VAL 54 HG21 VAL 54 74.596 2.766 5.112 373 HG22 VAL 54 HG22 VAL 54 75.044 1.291 4.266 374 HG23 VAL 54 HG23 VAL 54 73.445 1.445 4.980 375 H ARG 55 HN ARG 55 71.008 2.205 1.506 376 HA ARG 55 HA ARG 55 69.109 0.748 3.147 377 HB2 ARG 55 HB2 ARG 55 68.359 1.999 1.158 378 HB3 ARG 55 HB1 ARG 55 69.319 0.929 0.145 379 HG2 ARG 55 HG2 ARG 55 68.022 -1.004 0.902 380 HG3 ARG 55 HG1 ARG 55 67.081 0.032 1.978 381 HD2 ARG 55 HD2 ARG 55 66.279 1.327 0.052 382 HD3 ARG 55 HD1 ARG 55 67.229 0.320 -1.036 383 HE ARG 55 HE ARG 55 64.733 -0.412 0.282 384 HH11 ARG 55 HH21 ARG 55 67.583 -1.409 -1.410 385 HH12 ARG 55 HH22 ARG 55 66.916 -2.923 -1.922 386 HH21 ARG 55 HH11 ARG 55 63.855 -2.399 -0.383 387 HH22 ARG 55 HH12 ARG 55 64.808 -3.484 -1.339 388 H HIS 56 HN HIS 56 69.495 -1.205 3.862 389 HA HIS 56 HA HIS 56 70.901 -3.141 2.134 390 HB2 HIS 56 HB2 HIS 56 72.691 -2.537 3.523 391 HB3 HIS 56 HB1 HIS 56 71.647 -2.250 4.911 392 HD2 HIS 56 HD2 HIS 56 72.211 -4.242 6.719 393 HE1 HIS 56 HE1 HIS 56 72.474 -7.464 4.025 394 HE2 HIS 56 HE2 HIS 56 72.563 -6.813 6.471 395 H GLU 57 HN GLU 57 69.780 -4.970 1.991 396 HA GLU 57 HA GLU 57 68.079 -6.506 2.357 397 HB2 GLU 57 HB2 GLU 57 69.878 -7.069 4.063 398 HB3 GLU 57 HB1 GLU 57 68.904 -6.213 5.255 399 HG2 GLU 57 HG2 GLU 57 67.038 -7.747 4.874 400 HG3 GLU 57 HG1 GLU 57 67.926 -8.541 3.578 401 H ASN 58 HN ASN 58 67.057 -3.958 2.133 402 HA ASN 58 HA ASN 58 65.132 -2.773 2.511 403 HB2 ASN 58 HB2 ASN 58 64.233 -5.168 2.503 404 HB3 ASN 58 HB1 ASN 58 64.215 -5.050 4.260 405 HD21 ASN 58 HD21 ASN 58 63.664 -1.943 3.336 406 HD22 ASN 58 HD22 ASN 58 61.968 -1.964 3.258 407 H ARG 59 HN ARG 59 67.415 -3.181 4.768 408 HA ARG 59 HA ARG 59 65.958 -1.636 6.828 409 HB2 ARG 59 HB2 ARG 59 66.923 -2.932 8.478 410 HB3 ARG 59 HB1 ARG 59 67.032 -4.114 7.181 411 HG2 ARG 59 HG2 ARG 59 69.392 -2.967 6.733 412 HG3 ARG 59 HG1 ARG 59 69.212 -2.416 8.388 413 HD2 ARG 59 HD2 ARG 59 69.033 -5.303 7.490 414 HD3 ARG 59 HD1 ARG 59 70.452 -4.564 8.226 415 HE ARG 59 HE ARG 59 67.968 -5.284 9.580 416 HH11 ARG 59 HH21 ARG 59 70.971 -3.565 9.623 417 HH12 ARG 59 HH22 ARG 59 71.009 -3.400 11.346 418 HH21 ARG 59 HH11 ARG 59 68.005 -5.057 11.838 419 HH22 ARG 59 HH12 ARG 59 69.329 -4.242 12.599 420 H CYS 60 HN CYS 60 67.088 0.140 7.774 421 HA CYS 60 HA CYS 60 69.215 1.199 6.032 422 HB2 CYS 60 HB2 CYS 60 67.646 2.592 8.207 423 HB3 CYS 60 HB1 CYS 60 68.813 3.338 7.132 424 H VAL 61 HN VAL 61 71.219 1.256 6.645 425 HA VAL 61 HA VAL 61 71.891 1.233 9.529 426 HB VAL 61 HB VAL 61 73.570 -0.443 9.312 427 HG11 VAL 61 HG11 VAL 61 72.236 -2.370 8.875 428 HG12 VAL 61 HG12 VAL 61 71.261 -1.523 7.675 429 HG13 VAL 61 HG13 VAL 61 71.084 -1.136 9.386 430 HG21 VAL 61 HG21 VAL 61 72.957 -0.318 6.351 431 HG22 VAL 61 HG22 VAL 61 73.913 -1.599 7.086 432 HG23 VAL 61 HG23 VAL 61 74.489 0.069 7.130 433 H ALA 62 HN ALA 62 73.923 2.049 10.036 434 HA ALA 62 HA ALA 62 74.731 4.309 8.440 435 HB1 ALA 62 HB1 ALA 62 74.822 3.895 11.043 436 HB2 ALA 62 HB2 ALA 62 76.064 4.872 10.258 437 HB3 ALA 62 HB3 ALA 62 76.397 3.192 10.667 438 H LEU 63 HN LEU 63 76.584 4.697 7.367 439 HA LEU 63 HA LEU 63 77.543 2.717 5.697 440 HB2 LEU 63 HB2 LEU 63 78.621 5.386 6.543 441 HB3 LEU 63 HB1 LEU 63 79.683 4.324 5.625 442 HG LEU 63 HG LEU 63 77.887 4.124 3.884 443 HD11 LEU 63 HD11 LEU 63 75.905 4.643 5.092 444 HD12 LEU 63 HD12 LEU 63 76.146 6.007 4.004 445 HD13 LEU 63 HD13 LEU 63 76.578 6.149 5.706 446 HD21 LEU 63 HD21 LEU 63 78.425 6.189 2.843 447 HD22 LEU 63 HD22 LEU 63 79.803 5.847 3.885 448 HD23 LEU 63 HD23 LEU 63 78.588 7.023 4.385 449 H GLU 64 HN GLU 64 79.203 3.959 8.666 450 HA GLU 64 HA GLU 64 81.329 2.149 8.530 451 HB2 GLU 64 HB2 GLU 64 81.312 2.563 11.125 452 HB3 GLU 64 HB1 GLU 64 81.669 3.901 10.032 453 HG2 GLU 64 HG2 GLU 64 79.451 4.770 10.209 454 HG3 GLU 64 HG1 GLU 64 78.868 3.312 11.003 455 H ARG 65 HN ARG 65 77.997 1.580 9.233 456 HA ARG 65 HA ARG 65 78.600 -0.925 10.673 457 HB2 ARG 65 HB2 ARG 65 76.098 0.718 10.286 458 HB3 ARG 65 HB1 ARG 65 76.106 -0.868 11.062 459 HG2 ARG 65 HG2 ARG 65 77.646 -0.075 12.766 460 HG3 ARG 65 HG1 ARG 65 77.787 1.485 11.958 461 HD2 ARG 65 HD2 ARG 65 75.387 1.874 12.281 462 HD3 ARG 65 HD1 ARG 65 75.242 0.318 13.088 463 HE ARG 65 HE ARG 65 76.422 2.748 14.193 464 HH11 ARG 65 HH21 ARG 65 76.023 -0.688 14.384 465 HH12 ARG 65 HH22 ARG 65 76.424 -0.778 16.066 466 HH21 ARG 65 HH11 ARG 65 76.958 2.633 16.394 467 HH22 ARG 65 HH12 ARG 65 76.953 1.102 17.204 468 H CYS 66 HN CYS 66 78.019 0.157 7.555 469 HA CYS 66 HA CYS 66 76.157 -1.563 6.506 470 HB2 CYS 66 HB2 CYS 66 76.831 -0.148 4.837 471 HB3 CYS 66 HB1 CYS 66 78.455 -0.048 5.472 472 HA PRO 67 HA PRO 67 77.981 -5.602 6.737 473 HB2 PRO 67 HB2 PRO 67 76.706 -6.881 4.720 474 HB3 PRO 67 HB1 PRO 67 75.832 -6.325 6.165 475 HG2 PRO 67 HG2 PRO 67 76.075 -4.997 3.492 476 HG3 PRO 67 HG1 PRO 67 74.625 -5.287 4.466 477 HD2 PRO 67 HD2 PRO 67 75.877 -2.889 4.477 478 HD3 PRO 67 HD1 PRO 67 75.079 -3.535 5.928 479 H CYS 68 HN CYS 68 79.460 -7.004 5.662 480 HA CYS 68 HA CYS 68 80.804 -5.781 3.279 481 HB2 CYS 68 HB2 CYS 68 82.286 -7.624 5.097 482 HB3 CYS 68 HB1 CYS 68 82.854 -6.202 4.227 483 H PHE 69 HN PHE 69 81.618 -7.215 1.652 484 HA PHE 69 HA PHE 69 80.442 -9.945 1.753 485 HB2 PHE 69 HB2 PHE 69 80.943 -8.333 -0.755 486 HB3 PHE 69 HB1 PHE 69 79.947 -9.774 -0.567 487 HD1 PHE 69 HD1 PHE 69 80.230 -6.227 0.626 488 HD2 PHE 69 HD2 PHE 69 77.630 -9.543 -0.208 489 HE1 PHE 69 HE1 PHE 69 78.253 -4.783 1.042 490 HE2 PHE 69 HE2 PHE 69 75.651 -8.099 0.215 491 HZ PHE 69 HZ PHE 69 75.965 -5.708 0.820 492 H HIS 70 HN HIS 70 81.782 -11.561 1.474 493 HA HIS 70 HA HIS 70 84.270 -11.266 -0.027 494 HB2 HIS 70 HB2 HIS 70 85.010 -10.550 2.174 495 HB3 HIS 70 HB1 HIS 70 84.297 -11.980 2.916 496 HD2 HIS 70 HD2 HIS 70 86.139 -14.000 3.191 497 HE1 HIS 70 HE1 HIS 70 88.733 -12.889 0.055 498 HE2 HIS 70 HE2 HIS 70 88.349 -14.564 1.924 499 H GLN 71 HN GLN 71 83.686 -12.841 -1.433 500 HA GLN 71 HA GLN 71 83.841 -15.040 -2.183 501 HB2 GLN 71 HB2 GLN 71 84.936 -15.478 0.169 502 HB3 GLN 71 HB1 GLN 71 83.352 -16.131 0.585 503 HG2 GLN 71 HG2 GLN 71 83.477 -17.669 -1.339 504 HG3 GLN 71 HG1 GLN 71 85.074 -17.034 -1.737 505 HE21 GLN 71 HE21 GLN 71 86.757 -18.263 -0.886 506 HE22 GLN 71 HE22 GLN 71 86.659 -19.204 0.523 507 H GLY 72 HN GLY 72 81.477 -13.411 -2.010 508 HA2 GLY 72 HA2 GLY 72 79.278 -13.705 -2.618 509 HA3 GLY 72 HA1 GLY 72 79.506 -15.442 -2.463 510 H LYS 73 HN LYS 73 80.619 -14.347 0.384 511 HA LYS 73 HA LYS 73 77.988 -14.689 1.711 512 HB2 LYS 73 HB2 LYS 73 79.747 -16.329 2.284 513 HB3 LYS 73 HB1 LYS 73 80.798 -15.009 2.792 514 HG2 LYS 73 HG2 LYS 73 79.184 -14.361 4.539 515 HG3 LYS 73 HG1 LYS 73 78.092 -15.647 4.019 516 HD2 LYS 73 HD2 LYS 73 79.829 -17.329 4.559 517 HD3 LYS 73 HD1 LYS 73 80.902 -16.036 5.097 518 HE2 LYS 73 HE2 LYS 73 79.267 -15.396 6.833 519 HE3 LYS 73 HE1 LYS 73 78.192 -16.687 6.295 520 HZ1 LYS 73 HZ1 LYS 73 80.968 -17.333 7.018 521 HZ2 LYS 73 HZ2 LYS 73 79.580 -18.310 7.092 522 HZ3 LYS 73 HZ3 LYS 73 79.829 -17.093 8.253 523 H GLU 74 HN GLU 74 77.340 -13.287 3.354 524 HA GLU 74 HA GLU 74 78.551 -10.620 3.200 525 HB2 GLU 74 HB2 GLU 74 75.904 -11.616 4.270 526 HB3 GLU 74 HB1 GLU 74 76.449 -9.946 4.421 527 HG2 GLU 74 HG2 GLU 74 76.612 -9.746 2.000 528 HG3 GLU 74 HG1 GLU 74 76.168 -11.438 1.800 529 H TYR 75 HN TYR 75 79.788 -9.864 4.766 530 HA TYR 75 HA TYR 75 79.751 -11.149 7.434 531 HB2 TYR 75 HB2 TYR 75 82.034 -9.655 6.135 532 HB3 TYR 75 HB1 TYR 75 82.078 -10.543 7.652 533 HD1 TYR 75 HD1 TYR 75 81.448 -10.925 4.005 534 HD2 TYR 75 HD2 TYR 75 82.539 -12.858 7.674 535 HE1 TYR 75 HE1 TYR 75 81.984 -12.986 2.761 536 HE2 TYR 75 HE2 TYR 75 83.069 -14.926 6.424 537 HH TYR 75 HH TYR 75 83.133 -15.919 4.456 538 H ALA 76 HN ALA 76 80.778 -9.523 9.089 539 HA ALA 76 HA ALA 76 79.350 -6.949 8.764 540 HB1 ALA 76 HB1 ALA 76 78.755 -8.879 10.516 541 HB2 ALA 76 HB2 ALA 76 78.525 -7.174 10.884 542 HB3 ALA 76 HB3 ALA 76 79.958 -8.021 11.475 543 HA PRO 77 HA PRO 77 83.008 -4.637 9.752 544 HB2 PRO 77 HB2 PRO 77 81.796 -3.386 12.169 545 HB3 PRO 77 HB1 PRO 77 82.343 -2.622 10.664 546 HG2 PRO 77 HG2 PRO 77 79.747 -2.863 11.261 547 HG3 PRO 77 HG1 PRO 77 80.337 -2.992 9.592 548 HD2 PRO 77 HD2 PRO 77 79.524 -5.181 11.484 549 HD3 PRO 77 HD1 PRO 77 79.204 -5.014 9.745 550 H GLY 78 HN GLY 78 84.908 -5.004 10.857 551 HA2 GLY 78 HA2 GLY 78 86.347 -5.654 12.559 552 HA3 GLY 78 HA1 GLY 78 84.956 -5.788 13.633 553 H GLU 79 HN GLU 79 84.139 -7.434 10.938 554 HA GLU 79 HA GLU 79 84.559 -10.016 12.192 555 HB2 GLU 79 HB2 GLU 79 82.462 -9.284 10.917 556 HB3 GLU 79 HB1 GLU 79 83.417 -9.466 9.446 557 HG2 GLU 79 HG2 GLU 79 82.258 -11.534 9.783 558 HG3 GLU 79 HG1 GLU 79 83.948 -11.816 10.201 559 H THR 80 HN THR 80 86.182 -11.364 11.768 560 HA THR 80 HA THR 80 88.112 -10.647 9.640 561 HB THR 80 HB THR 80 89.745 -11.333 11.043 562 HG1 THR 80 HG1 THR 80 87.977 -13.423 11.743 563 HG21 THR 80 HG21 THR 80 88.147 -9.972 12.480 564 HG22 THR 80 HG22 THR 80 89.274 -11.008 13.348 565 HG23 THR 80 HG23 THR 80 87.596 -11.509 13.144 566 H VAL 81 HN VAL 81 88.874 -11.985 8.231 567 HA VAL 81 HA VAL 81 87.809 -14.734 8.093 568 HB VAL 81 HB VAL 81 87.293 -14.489 5.711 569 HG11 VAL 81 HG11 VAL 81 86.031 -12.244 7.302 570 HG12 VAL 81 HG12 VAL 81 85.600 -13.942 7.493 571 HG13 VAL 81 HG13 VAL 81 85.307 -13.125 5.956 572 HG21 VAL 81 HG21 VAL 81 88.883 -12.793 5.050 573 HG22 VAL 81 HG22 VAL 81 88.194 -11.633 6.186 574 HG23 VAL 81 HG23 VAL 81 87.272 -12.132 4.768 575 H LYS 82 HN LYS 82 89.163 -16.193 6.812 576 HA LYS 82 HA LYS 82 91.920 -15.225 6.713 577 HB2 LYS 82 HB2 LYS 82 91.255 -17.255 8.080 578 HB3 LYS 82 HB1 LYS 82 90.839 -18.049 6.566 579 HG2 LYS 82 HG2 LYS 82 93.030 -18.781 6.891 580 HG3 LYS 82 HG1 LYS 82 93.274 -17.386 5.845 581 HD2 LYS 82 HD2 LYS 82 93.817 -15.985 7.772 582 HD3 LYS 82 HD1 LYS 82 93.449 -17.310 8.875 583 HE2 LYS 82 HE2 LYS 82 95.607 -17.401 6.751 584 HE3 LYS 82 HE1 LYS 82 95.896 -17.037 8.452 585 HZ1 LYS 82 HZ1 LYS 82 94.760 -19.215 8.934 586 HZ2 LYS 82 HZ2 LYS 82 96.289 -19.323 8.203 587 HZ3 LYS 82 HZ3 LYS 82 94.884 -19.559 7.278 588 H ILE 83 HN ILE 83 92.933 -15.002 4.807 589 HA ILE 83 HA ILE 83 91.727 -16.241 2.384 590 HB ILE 83 HB ILE 83 93.006 -13.497 2.573 591 HG12 ILE 83 HG12 ILE 83 90.120 -14.225 1.997 592 HG13 ILE 83 HG11 ILE 83 90.686 -13.784 3.606 593 HG21 ILE 83 HG21 ILE 83 92.111 -13.324 0.228 594 HG22 ILE 83 HG22 ILE 83 91.706 -15.038 0.307 595 HG23 ILE 83 HG23 ILE 83 93.389 -14.526 0.405 596 HD11 ILE 83 HD11 ILE 83 90.655 -12.072 1.113 597 HD12 ILE 83 HD12 ILE 83 91.607 -11.644 2.533 598 HD13 ILE 83 HD13 ILE 83 89.852 -11.765 2.653 599 H GLY 84 HN GLY 84 93.137 -17.931 2.196 600 HA2 GLY 84 HA2 GLY 84 95.072 -18.995 1.527 601 HA3 GLY 84 HA1 GLY 84 95.728 -17.411 1.119 602 H CYS 85 HN CYS 85 97.443 -16.805 2.266 603 HA CYS 85 HA CYS 85 97.958 -18.076 4.884 604 HB2 CYS 85 HB2 CYS 85 99.601 -17.665 2.652 605 HB3 CYS 85 HB1 CYS 85 100.141 -16.441 3.795 606 H ASN 86 HN ASN 86 96.466 -15.433 3.792 607 HA ASN 86 HA ASN 86 97.332 -13.724 6.074 608 HB2 ASN 86 HB2 ASN 86 96.385 -12.755 3.371 609 HB3 ASN 86 HB1 ASN 86 96.984 -11.776 4.709 610 HD21 ASN 86 HD21 ASN 86 99.200 -13.561 5.430 611 HD22 ASN 86 HD22 ASN 86 100.344 -13.449 4.181 612 H THR 87 HN THR 87 95.734 -12.333 6.887 613 HA THR 87 HA THR 87 92.914 -13.210 6.450 614 HB THR 87 HB THR 87 94.169 -13.837 8.660 615 HG1 THR 87 HG1 THR 87 91.607 -12.667 8.658 616 HG21 THR 87 HG21 THR 87 93.064 -11.159 9.450 617 HG22 THR 87 HG22 THR 87 94.761 -11.375 9.027 618 HG23 THR 87 HG23 THR 87 94.081 -12.241 10.402 619 H CYS 88 HN CYS 88 91.299 -11.762 6.743 620 HA CYS 88 HA CYS 88 92.109 -8.915 6.761 621 HB2 CYS 88 HB2 CYS 88 91.257 -10.367 4.472 622 HB3 CYS 88 HB1 CYS 88 89.908 -9.336 4.906 623 H VAL 89 HN VAL 89 90.591 -7.429 7.400 624 HA VAL 89 HA VAL 89 88.179 -8.530 8.682 625 HB VAL 89 HB VAL 89 90.141 -8.005 10.296 626 HG11 VAL 89 HG11 VAL 89 90.630 -5.801 9.140 627 HG12 VAL 89 HG12 VAL 89 90.494 -5.725 10.895 628 HG13 VAL 89 HG13 VAL 89 89.158 -5.178 9.882 629 HG21 VAL 89 HG21 VAL 89 87.756 -8.313 10.938 630 HG22 VAL 89 HG22 VAL 89 87.513 -6.584 10.730 631 HG23 VAL 89 HG23 VAL 89 88.612 -7.178 11.975 632 H CYS 90 HN CYS 90 86.373 -7.330 8.466 633 HA CYS 90 HA CYS 90 86.327 -5.306 6.438 634 HB2 CYS 90 HB2 CYS 90 84.476 -6.906 6.830 635 HB3 CYS 90 HB1 CYS 90 84.167 -6.131 8.385 636 H ARG 91 HN ARG 91 86.924 -3.321 6.735 637 HA ARG 91 HA ARG 91 86.051 -1.837 9.107 638 HB2 ARG 91 HB2 ARG 91 88.359 -2.639 9.563 639 HB3 ARG 91 HB1 ARG 91 88.905 -1.826 8.098 640 HG2 ARG 91 HG2 ARG 91 88.147 0.332 8.992 641 HG3 ARG 91 HG1 ARG 91 87.554 -0.469 10.447 642 HD2 ARG 91 HD2 ARG 91 89.899 -1.298 10.851 643 HD3 ARG 91 HD1 ARG 91 90.428 -0.287 9.508 644 HE ARG 91 HE ARG 91 88.948 1.284 11.338 645 HH11 ARG 91 HH21 ARG 91 91.948 -0.406 10.991 646 HH12 ARG 91 HH22 ARG 91 92.815 0.634 12.071 647 HH21 ARG 91 HH11 ARG 91 90.074 2.646 12.754 648 HH22 ARG 91 HH12 ARG 91 91.754 2.362 13.070 649 H ASP 92 HN ASP 92 84.992 -0.156 8.341 650 HA ASP 92 HA ASP 92 84.401 1.670 7.076 651 HB2 ASP 92 HB2 ASP 92 86.967 2.084 7.315 652 HB3 ASP 92 HB1 ASP 92 87.049 1.533 5.643 653 H ARG 93 HN ARG 93 83.360 -0.623 6.287 654 HA ARG 93 HA ARG 93 82.407 -1.730 4.491 655 HB2 ARG 93 HB2 ARG 93 83.038 0.931 3.188 656 HB3 ARG 93 HB1 ARG 93 82.017 -0.313 2.467 657 HG2 ARG 93 HG2 ARG 93 80.522 -0.202 4.436 658 HG3 ARG 93 HG1 ARG 93 81.523 1.082 5.112 659 HD2 ARG 93 HD2 ARG 93 80.171 1.246 2.406 660 HD3 ARG 93 HD1 ARG 93 79.491 1.920 3.884 661 HE ARG 93 HE ARG 93 82.090 2.927 3.617 662 HH11 ARG 93 HH21 ARG 93 79.043 2.979 1.972 663 HH12 ARG 93 HH22 ARG 93 79.279 4.556 1.295 664 HH21 ARG 93 HH11 ARG 93 82.405 4.994 2.728 665 HH22 ARG 93 HH12 ARG 93 81.182 5.697 1.723 666 H LYS 94 HN LYS 94 85.561 -1.426 4.784 667 HA LYS 94 HA LYS 94 86.137 -2.774 2.206 668 HB2 LYS 94 HB2 LYS 94 87.786 -0.646 3.597 669 HB3 LYS 94 HB1 LYS 94 88.374 -1.642 2.268 670 HG2 LYS 94 HG2 LYS 94 86.577 -0.797 0.816 671 HG3 LYS 94 HG1 LYS 94 85.953 0.185 2.141 672 HD2 LYS 94 HD2 LYS 94 88.096 1.416 2.236 673 HD3 LYS 94 HD1 LYS 94 88.711 0.440 0.902 674 HE2 LYS 94 HE2 LYS 94 86.915 1.284 -0.557 675 HE3 LYS 94 HE1 LYS 94 86.279 2.248 0.777 676 HZ1 LYS 94 HZ1 LYS 94 87.601 3.783 -0.241 677 HZ2 LYS 94 HZ2 LYS 94 88.721 2.634 -0.801 678 HZ3 LYS 94 HZ3 LYS 94 88.736 3.117 0.829 679 H TRP 95 HN TRP 95 87.961 -4.235 2.325 680 HA TRP 95 HA TRP 95 88.190 -5.501 4.960 681 HB2 TRP 95 HB2 TRP 95 88.862 -6.353 2.139 682 HB3 TRP 95 HB1 TRP 95 89.339 -7.292 3.552 683 HD1 TRP 95 HD1 TRP 95 86.399 -6.514 1.346 684 HE1 TRP 95 HE1 TRP 95 84.334 -7.849 2.147 685 HE3 TRP 95 HE3 TRP 95 88.144 -8.218 5.834 686 HZ2 TRP 95 HZ2 TRP 95 83.557 -9.454 4.382 687 HZ3 TRP 95 HZ3 TRP 95 86.734 -9.666 7.262 688 HH2 TRP 95 HH2 TRP 95 84.439 -10.272 6.555 689 H ASN 96 HN ASN 96 90.013 -5.466 6.130 690 HA ASN 96 HA ASN 96 92.425 -4.177 4.956 691 HB2 ASN 96 HB2 ASN 96 91.225 -4.099 7.715 692 HB3 ASN 96 HB1 ASN 96 92.949 -3.814 7.498 693 HD21 ASN 96 HD21 ASN 96 89.747 -2.663 6.343 694 HD22 ASN 96 HD22 ASN 96 90.266 -1.077 6.035 695 H CYS 97 HN CYS 97 93.807 -5.721 4.380 696 HA CYS 97 HA CYS 97 93.965 -8.227 5.873 697 HB2 CYS 97 HB2 CYS 97 95.198 -7.270 3.307 698 HB3 CYS 97 HB1 CYS 97 95.640 -8.801 4.061 699 H THR 98 HN THR 98 95.463 -8.845 7.194 700 HA THR 98 HA THR 98 97.373 -6.998 8.238 701 HB THR 98 HB THR 98 96.274 -9.619 8.905 702 HG1 THR 98 HG1 THR 98 96.213 -7.391 9.935 703 HG21 THR 98 HG21 THR 98 98.472 -10.461 8.673 704 HG22 THR 98 HG22 THR 98 98.254 -10.152 10.393 705 HG23 THR 98 HG23 THR 98 99.185 -9.031 9.407 706 H ASP 99 HN ASP 99 97.427 -9.682 6.085 707 HA ASP 99 HA ASP 99 99.022 -10.552 4.694 708 HB2 ASP 99 HB2 ASP 99 99.893 -7.672 4.811 709 HB3 ASP 99 HB1 ASP 99 100.648 -8.863 3.754 710 H HIS 100 HN HIS 100 99.475 -10.788 7.530 711 HA HIS 100 HA HIS 100 102.164 -10.352 8.270 712 HB2 HIS 100 HB2 HIS 100 101.805 -12.064 9.993 713 HB3 HIS 100 HB1 HIS 100 100.445 -10.954 9.928 714 HD2 HIS 100 HD2 HIS 100 98.029 -12.362 9.815 715 HE1 HIS 100 HE1 HIS 100 99.508 -15.904 8.105 716 HE2 HIS 100 HE2 HIS 100 97.442 -14.765 9.014 717 H VAL 101 HN VAL 101 103.679 -12.247 8.775 718 HA VAL 101 HA VAL 101 104.626 -13.367 6.405 719 HB VAL 101 HB VAL 101 105.005 -14.387 9.226 720 HG11 VAL 101 HG11 VAL 101 107.198 -15.202 8.198 721 HG12 VAL 101 HG12 VAL 101 106.460 -14.896 6.626 722 HG13 VAL 101 HG13 VAL 101 105.747 -16.081 7.720 723 HG21 VAL 101 HG21 VAL 101 107.183 -13.058 8.947 724 HG22 VAL 101 HG22 VAL 101 105.710 -12.114 9.172 725 HG23 VAL 101 HG23 VAL 101 106.408 -12.290 7.562 726 H CYS 102 HN CYS 102 104.215 -15.193 5.301 727 HA CYS 102 HA CYS 102 101.797 -16.604 5.752 728 HB2 CYS 102 HB2 CYS 102 102.653 -16.380 3.513 729 HB3 CYS 102 HB1 CYS 102 104.152 -17.190 3.959 730 H ASP 103 HN ASP 103 102.414 -17.072 8.051 731 HA ASP 103 HA ASP 103 103.146 -18.502 9.721 732 HB2 ASP 103 HB2 ASP 103 101.311 -19.773 8.665 733 HB3 ASP 103 HB1 ASP 103 102.468 -20.516 7.565 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 50.884 6.442 -6.881 2 H2 GLY 1 HT2 GLY 1 51.622 7.023 -5.464 3 H3 GLY 1 HT3 GLY 1 49.989 6.554 -5.444 4 HA2 GLY 1 HA2 GLY 1 51.221 4.819 -4.419 5 HA3 GLY 1 HA1 GLY 1 50.700 4.255 -6.008 6 H ALA 2 HN ALA 2 53.393 5.075 -4.009 7 HA ALA 2 HA ALA 2 55.391 5.253 -6.032 8 HB1 ALA 2 HB1 ALA 2 56.965 5.195 -4.259 9 HB2 ALA 2 HB2 ALA 2 55.850 4.334 -3.195 10 HB3 ALA 2 HB3 ALA 2 55.557 6.026 -3.600 11 H MET 3 HN MET 3 56.693 3.708 -6.927 12 HA MET 3 HA MET 3 56.137 0.871 -6.234 13 HB2 MET 3 HB2 MET 3 55.141 1.526 -8.419 14 HB3 MET 3 HB1 MET 3 56.747 1.990 -8.982 15 HG2 MET 3 HG2 MET 3 57.555 -0.304 -8.656 16 HG3 MET 3 HG1 MET 3 55.985 -0.782 -8.015 17 HE1 MET 3 HE1 MET 3 58.000 0.670 -10.726 18 HE2 MET 3 HE2 MET 3 56.652 1.640 -11.312 19 HE3 MET 3 HE3 MET 3 57.216 0.268 -12.260 20 H GLY 4 HN GLY 4 57.864 -0.290 -5.697 21 HA2 GLY 4 HA2 GLY 4 60.350 -0.375 -6.833 22 HA3 GLY 4 HA1 GLY 4 60.475 0.913 -5.637 23 H SER 5 HN SER 5 62.135 -0.935 -5.027 24 HA SER 5 HA SER 5 61.001 -3.145 -3.548 25 HB2 SER 5 HB2 SER 5 63.821 -2.097 -3.823 26 HB3 SER 5 HB1 SER 5 63.396 -3.518 -2.873 27 HG SER 5 HG SER 5 62.536 -4.434 -4.774 28 H CYS 6 HN CYS 6 61.566 0.126 -2.926 29 HA CYS 6 HA CYS 6 62.364 0.124 -0.230 30 HB2 CYS 6 HB2 CYS 6 62.413 2.188 -1.406 31 HB3 CYS 6 HB1 CYS 6 60.719 2.054 -1.867 32 H ARG 7 HN ARG 7 61.175 -1.704 0.649 33 HA ARG 7 HA ARG 7 58.339 -1.708 0.770 34 HB2 ARG 7 HB2 ARG 7 60.419 -3.463 1.518 35 HB3 ARG 7 HB1 ARG 7 59.582 -3.102 3.023 36 HG2 ARG 7 HG2 ARG 7 57.411 -3.663 1.850 37 HG3 ARG 7 HG1 ARG 7 58.373 -4.216 0.475 38 HD2 ARG 7 HD2 ARG 7 58.180 -5.384 3.238 39 HD3 ARG 7 HD1 ARG 7 58.092 -6.201 1.679 40 HE ARG 7 HE ARG 7 60.493 -5.563 3.155 41 HH11 ARG 7 HH21 ARG 7 59.074 -6.169 0.059 42 HH12 ARG 7 HH22 ARG 7 60.557 -6.690 -0.672 43 HH21 ARG 7 HH11 ARG 7 62.441 -6.234 2.204 44 HH22 ARG 7 HH12 ARG 7 62.464 -6.726 0.543 45 HA PRO 8 HA PRO 8 58.858 0.506 4.922 46 HB2 PRO 8 HB2 PRO 8 61.354 1.212 5.790 47 HB3 PRO 8 HB1 PRO 8 60.673 -0.407 6.037 48 HG2 PRO 8 HG2 PRO 8 62.818 0.454 4.214 49 HG3 PRO 8 HG1 PRO 8 62.440 -1.166 4.822 50 HD2 PRO 8 HD2 PRO 8 61.751 -0.028 2.239 51 HD3 PRO 8 HD1 PRO 8 61.435 -1.670 2.829 52 HA PRO 9 HA PRO 9 59.452 4.356 2.532 53 HB2 PRO 9 HB2 PRO 9 57.122 5.599 3.115 54 HB3 PRO 9 HB1 PRO 9 57.200 4.247 1.967 55 HG2 PRO 9 HG2 PRO 9 56.284 4.269 4.804 56 HG3 PRO 9 HG1 PRO 9 55.654 3.355 3.421 57 HD2 PRO 9 HD2 PRO 9 57.397 2.327 5.374 58 HD3 PRO 9 HD1 PRO 9 57.112 1.610 3.778 59 H MET 10 HN MET 10 60.955 5.789 3.459 60 HA MET 10 HA MET 10 60.291 6.920 6.110 61 HB2 MET 10 HB2 MET 10 62.980 6.247 4.885 62 HB3 MET 10 HB1 MET 10 62.740 7.049 6.438 63 HG2 MET 10 HG2 MET 10 61.651 5.124 7.366 64 HG3 MET 10 HG1 MET 10 61.540 4.348 5.787 65 HE1 MET 10 HE1 MET 10 64.773 2.747 5.074 66 HE2 MET 10 HE2 MET 10 63.942 4.083 4.287 67 HE3 MET 10 HE3 MET 10 63.012 2.740 4.945 68 H VAL 11 HN VAL 11 62.364 7.547 3.226 69 HA VAL 11 HA VAL 11 61.634 10.429 3.432 70 HB VAL 11 HB VAL 11 64.115 9.409 2.059 71 HG11 VAL 11 HG11 VAL 11 63.506 11.973 3.555 72 HG12 VAL 11 HG12 VAL 11 63.390 11.781 1.806 73 HG13 VAL 11 HG13 VAL 11 64.953 11.629 2.609 74 HG21 VAL 11 HG21 VAL 11 64.215 8.414 4.274 75 HG22 VAL 11 HG22 VAL 11 63.764 9.946 5.015 76 HG23 VAL 11 HG23 VAL 11 65.324 9.782 4.209 77 H LYS 12 HN LYS 12 60.270 10.942 1.867 78 HA LYS 12 HA LYS 12 60.034 9.347 -0.550 79 HB2 LYS 12 HB2 LYS 12 58.115 10.775 -1.015 80 HB3 LYS 12 HB1 LYS 12 58.051 10.224 0.659 81 HG2 LYS 12 HG2 LYS 12 59.153 12.371 1.348 82 HG3 LYS 12 HG1 LYS 12 59.007 12.928 -0.318 83 HD2 LYS 12 HD2 LYS 12 56.570 12.690 -0.210 84 HD3 LYS 12 HD1 LYS 12 56.693 12.084 1.443 85 HE2 LYS 12 HE2 LYS 12 56.136 14.484 1.444 86 HE3 LYS 12 HE1 LYS 12 57.731 14.214 2.148 87 HZ1 LYS 12 HZ1 LYS 12 57.126 15.123 -0.611 88 HZ2 LYS 12 HZ2 LYS 12 58.679 14.695 -0.071 89 HZ3 LYS 12 HZ3 LYS 12 57.870 16.020 0.620 90 H LEU 13 HN LEU 13 60.680 9.864 -2.517 91 HA LEU 13 HA LEU 13 61.818 12.524 -3.072 92 HB2 LEU 13 HB2 LEU 13 63.825 11.647 -3.967 93 HB3 LEU 13 HB1 LEU 13 63.613 10.846 -2.418 94 HG LEU 13 HG LEU 13 62.335 9.047 -4.030 95 HD11 LEU 13 HD11 LEU 13 63.269 8.849 -6.167 96 HD12 LEU 13 HD12 LEU 13 64.678 9.829 -5.757 97 HD13 LEU 13 HD13 LEU 13 63.115 10.597 -6.013 98 HD21 LEU 13 HD21 LEU 13 64.340 7.703 -3.931 99 HD22 LEU 13 HD22 LEU 13 64.184 8.610 -2.428 100 HD23 LEU 13 HD23 LEU 13 65.329 9.135 -3.661 101 H VAL 14 HN VAL 14 61.051 13.294 -4.970 102 HA VAL 14 HA VAL 14 59.803 11.338 -6.795 103 HB VAL 14 HB VAL 14 58.365 13.287 -7.516 104 HG11 VAL 14 HG11 VAL 14 57.412 11.628 -6.077 105 HG12 VAL 14 HG12 VAL 14 56.997 13.186 -5.361 106 HG13 VAL 14 HG13 VAL 14 58.313 12.227 -4.683 107 HG21 VAL 14 HG21 VAL 14 59.631 14.525 -5.048 108 HG22 VAL 14 HG22 VAL 14 58.209 15.167 -5.866 109 HG23 VAL 14 HG23 VAL 14 59.759 15.127 -6.700 110 H CYS 15 HN CYS 15 60.699 11.078 -8.624 111 HA CYS 15 HA CYS 15 62.684 13.031 -9.587 112 HB2 CYS 15 HB2 CYS 15 63.068 10.451 -9.298 113 HB3 CYS 15 HB1 CYS 15 62.306 10.367 -10.886 114 HA PRO 16 HA PRO 16 59.321 14.462 -12.352 115 HB2 PRO 16 HB2 PRO 16 61.739 15.814 -13.505 116 HB3 PRO 16 HB1 PRO 16 60.120 16.475 -13.197 117 HG2 PRO 16 HG2 PRO 16 62.138 17.007 -11.564 118 HG3 PRO 16 HG1 PRO 16 60.512 16.717 -10.936 119 HD2 PRO 16 HD2 PRO 16 62.914 14.967 -10.834 120 HD3 PRO 16 HD1 PRO 16 61.561 15.086 -9.704 121 H ALA 17 HN ALA 17 59.325 14.710 -14.885 122 HA ALA 17 HA ALA 17 59.740 12.164 -16.000 123 HB1 ALA 17 HB1 ALA 17 59.050 13.132 -18.081 124 HB2 ALA 17 HB2 ALA 17 59.488 14.751 -17.538 125 HB3 ALA 17 HB3 ALA 17 58.108 13.922 -16.816 126 H ASP 18 HN ASP 18 61.512 15.211 -16.342 127 HA ASP 18 HA ASP 18 63.677 13.790 -17.715 128 HB2 ASP 18 HB2 ASP 18 63.156 16.731 -17.259 129 HB3 ASP 18 HB1 ASP 18 64.619 16.106 -18.016 130 H ASN 19 HN ASN 19 62.748 14.155 -14.696 131 HA ASN 19 HA ASN 19 63.750 14.054 -12.656 132 HB2 ASN 19 HB2 ASN 19 66.255 13.455 -14.206 133 HB3 ASN 19 HB1 ASN 19 65.954 13.109 -12.506 134 HD21 ASN 19 HD21 ASN 19 66.497 11.171 -14.756 135 HD22 ASN 19 HD22 ASN 19 65.169 10.114 -14.753 136 H LEU 20 HN LEU 20 63.358 16.586 -13.249 137 HA LEU 20 HA LEU 20 65.935 17.985 -12.919 138 HB2 LEU 20 HB2 LEU 20 64.686 20.031 -13.589 139 HB3 LEU 20 HB1 LEU 20 64.741 18.796 -14.843 140 HG LEU 20 HG LEU 20 62.405 18.745 -12.958 141 HD11 LEU 20 HD11 LEU 20 61.180 20.392 -14.314 142 HD12 LEU 20 HD12 LEU 20 62.653 20.735 -15.220 143 HD13 LEU 20 HD13 LEU 20 62.565 21.124 -13.503 144 HD21 LEU 20 HD21 LEU 20 62.345 18.481 -15.961 145 HD22 LEU 20 HD22 LEU 20 61.287 17.736 -14.767 146 HD23 LEU 20 HD23 LEU 20 62.933 17.147 -14.974 147 H ARG 21 HN ARG 21 64.184 16.639 -10.816 148 HA ARG 21 HA ARG 21 64.426 18.822 -8.884 149 HB2 ARG 21 HB2 ARG 21 62.072 18.850 -9.883 150 HB3 ARG 21 HB1 ARG 21 61.831 17.298 -9.086 151 HG2 ARG 21 HG2 ARG 21 62.381 18.326 -6.907 152 HG3 ARG 21 HG1 ARG 21 62.619 19.879 -7.708 153 HD2 ARG 21 HD2 ARG 21 60.261 19.750 -8.539 154 HD3 ARG 21 HD1 ARG 21 60.044 18.288 -7.578 155 HE ARG 21 HE ARG 21 61.021 20.529 -6.043 156 HH11 ARG 21 HH21 ARG 21 58.257 18.927 -7.374 157 HH12 ARG 21 HH22 ARG 21 57.153 19.564 -6.201 158 HH21 ARG 21 HH11 ARG 21 59.585 21.361 -4.502 159 HH22 ARG 21 HH12 ARG 21 57.905 20.943 -4.573 160 H ALA 22 HN ALA 22 66.116 16.754 -8.976 161 HA ALA 22 HA ALA 22 65.193 14.543 -7.337 162 HB1 ALA 22 HB1 ALA 22 68.056 15.178 -8.046 163 HB2 ALA 22 HB2 ALA 22 66.961 14.381 -9.173 164 HB3 ALA 22 HB3 ALA 22 67.355 13.614 -7.634 165 H GLU 23 HN GLU 23 66.194 13.979 -5.320 166 HA GLU 23 HA GLU 23 66.152 16.111 -3.467 167 HB2 GLU 23 HB2 GLU 23 66.750 14.430 -1.822 168 HB3 GLU 23 HB1 GLU 23 65.559 13.762 -2.936 169 HG2 GLU 23 HG2 GLU 23 67.419 12.717 -4.233 170 HG3 GLU 23 HG1 GLU 23 68.556 13.298 -3.017 171 H GLY 24 HN GLY 24 68.759 14.405 -5.102 172 HA2 GLY 24 HA2 GLY 24 70.646 16.288 -5.280 173 HA3 GLY 24 HA1 GLY 24 70.825 15.810 -3.593 174 H LEU 25 HN LEU 25 69.801 13.050 -4.722 175 HA LEU 25 HA LEU 25 72.501 11.997 -5.187 176 HB2 LEU 25 HB2 LEU 25 69.869 10.552 -4.784 177 HB3 LEU 25 HB1 LEU 25 71.464 9.803 -4.847 178 HG LEU 25 HG LEU 25 70.590 11.870 -2.804 179 HD11 LEU 25 HD11 LEU 25 71.183 8.948 -2.311 180 HD12 LEU 25 HD12 LEU 25 69.557 9.509 -2.700 181 HD13 LEU 25 HD13 LEU 25 70.369 10.093 -1.246 182 HD21 LEU 25 HD21 LEU 25 72.915 12.116 -2.910 183 HD22 LEU 25 HD22 LEU 25 73.182 10.434 -3.367 184 HD23 LEU 25 HD23 LEU 25 72.773 10.845 -1.702 185 H GLU 26 HN GLU 26 73.197 11.193 -7.074 186 HA GLU 26 HA GLU 26 71.869 11.830 -9.486 187 HB2 GLU 26 HB2 GLU 26 74.182 9.971 -8.898 188 HB3 GLU 26 HB1 GLU 26 73.637 10.369 -10.528 189 HG2 GLU 26 HG2 GLU 26 74.054 12.740 -10.129 190 HG3 GLU 26 HG1 GLU 26 74.501 12.407 -8.458 191 H CYS 27 HN CYS 27 72.089 8.854 -7.596 192 HA CYS 27 HA CYS 27 69.736 7.805 -8.946 193 HB2 CYS 27 HB2 CYS 27 70.921 5.629 -9.462 194 HB3 CYS 27 HB1 CYS 27 71.386 6.992 -10.474 195 H THR 28 HN THR 28 71.244 5.152 -7.813 196 HA THR 28 HA THR 28 69.770 5.210 -5.307 197 HB THR 28 HB THR 28 70.397 2.849 -5.159 198 HG1 THR 28 HG1 THR 28 71.534 2.566 -7.550 199 HG21 THR 28 HG21 THR 28 69.279 2.083 -7.210 200 HG22 THR 28 HG22 THR 28 69.546 3.662 -7.951 201 HG23 THR 28 HG23 THR 28 68.471 3.510 -6.561 202 H LYS 29 HN LYS 29 70.895 4.276 -3.315 203 HA LYS 29 HA LYS 29 73.751 4.908 -3.126 204 HB2 LYS 29 HB2 LYS 29 72.580 7.030 -2.565 205 HB3 LYS 29 HB1 LYS 29 71.715 6.187 -1.287 206 HG2 LYS 29 HG2 LYS 29 74.460 5.589 -0.850 207 HG3 LYS 29 HG1 LYS 29 74.406 7.307 -1.245 208 HD2 LYS 29 HD2 LYS 29 72.790 7.721 0.513 209 HD3 LYS 29 HD1 LYS 29 72.673 5.997 0.864 210 HE2 LYS 29 HE2 LYS 29 74.182 6.874 2.491 211 HE3 LYS 29 HE1 LYS 29 75.200 6.069 1.300 212 HZ1 LYS 29 HZ1 LYS 29 74.599 8.976 1.384 213 HZ2 LYS 29 HZ2 LYS 29 75.559 8.199 0.217 214 HZ3 LYS 29 HZ3 LYS 29 76.065 8.252 1.837 215 H THR 30 HN THR 30 74.040 2.705 -2.777 216 HA THR 30 HA THR 30 73.276 1.818 -0.054 217 HB THR 30 HB THR 30 73.158 -0.553 -1.279 218 HG1 THR 30 HG1 THR 30 72.794 1.390 -3.250 219 HG21 THR 30 HG21 THR 30 70.690 -0.163 -1.499 220 HG22 THR 30 HG22 THR 30 70.999 1.537 -1.130 221 HG23 THR 30 HG23 THR 30 71.394 0.290 0.053 222 H CYS 31 HN CYS 31 74.729 0.225 0.831 223 HA CYS 31 HA CYS 31 77.363 0.804 0.445 224 HB2 CYS 31 HB2 CYS 31 76.044 -0.562 2.278 225 HB3 CYS 31 HB1 CYS 31 76.625 -1.942 1.349 226 H GLN 32 HN GLN 32 75.445 -0.743 -1.799 227 HA GLN 32 HA GLN 32 77.644 -2.403 -2.868 228 HB2 GLN 32 HB2 GLN 32 75.956 -3.379 -4.331 229 HB3 GLN 32 HB1 GLN 32 75.403 -3.441 -2.653 230 HG2 GLN 32 HG2 GLN 32 74.287 -1.163 -3.151 231 HG3 GLN 32 HG1 GLN 32 74.527 -1.557 -4.843 232 HE21 GLN 32 HE21 GLN 32 72.627 -2.245 -2.005 233 HE22 GLN 32 HE22 GLN 32 71.581 -3.365 -2.734 234 H ASN 33 HN ASN 33 75.426 0.257 -3.821 235 HA ASN 33 HA ASN 33 77.157 0.786 -6.175 236 HB2 ASN 33 HB2 ASN 33 74.238 1.328 -5.665 237 HB3 ASN 33 HB1 ASN 33 75.136 1.982 -7.034 238 HD21 ASN 33 HD21 ASN 33 72.916 0.107 -7.312 239 HD22 ASN 33 HD22 ASN 33 73.547 -1.321 -7.979 240 H TYR 34 HN TYR 34 76.538 1.885 -3.091 241 HA TYR 34 HA TYR 34 76.202 4.581 -3.318 242 HB2 TYR 34 HB2 TYR 34 76.224 3.562 -1.149 243 HB3 TYR 34 HB1 TYR 34 77.889 3.024 -1.357 244 HD1 TYR 34 HD1 TYR 34 76.272 6.355 -2.072 245 HD2 TYR 34 HD2 TYR 34 79.195 4.186 0.202 246 HE1 TYR 34 HE1 TYR 34 77.053 8.469 -1.090 247 HE2 TYR 34 HE2 TYR 34 79.989 6.316 1.182 248 HH TYR 34 HH TYR 34 79.290 8.535 1.566 249 H ASP 35 HN ASP 35 79.276 2.734 -3.513 250 HA ASP 35 HA ASP 35 80.681 5.174 -4.386 251 HB2 ASP 35 HB2 ASP 35 81.635 2.467 -3.452 252 HB3 ASP 35 HB1 ASP 35 82.700 3.718 -4.093 253 H LEU 36 HN LEU 36 79.029 2.591 -5.673 254 HA LEU 36 HA LEU 36 80.696 2.567 -8.129 255 HB2 LEU 36 HB2 LEU 36 78.949 0.308 -7.206 256 HB3 LEU 36 HB1 LEU 36 80.036 0.321 -8.572 257 HG LEU 36 HG LEU 36 80.894 0.694 -5.691 258 HD11 LEU 36 HD11 LEU 36 80.919 -1.715 -7.527 259 HD12 LEU 36 HD12 LEU 36 80.119 -1.564 -5.962 260 HD13 LEU 36 HD13 LEU 36 81.880 -1.614 -6.051 261 HD21 LEU 36 HD21 LEU 36 83.158 0.071 -6.872 262 HD22 LEU 36 HD22 LEU 36 82.557 1.721 -7.001 263 HD23 LEU 36 HD23 LEU 36 82.340 0.596 -8.343 264 H GLU 37 HN GLU 37 79.312 1.779 -10.072 265 HA GLU 37 HA GLU 37 77.370 3.762 -10.550 266 HB2 GLU 37 HB2 GLU 37 77.977 1.193 -12.022 267 HB3 GLU 37 HB1 GLU 37 76.854 2.420 -12.610 268 HG2 GLU 37 HG2 GLU 37 78.631 4.091 -12.635 269 HG3 GLU 37 HG1 GLU 37 79.766 2.932 -11.943 270 H CYS 38 HN CYS 38 75.135 3.648 -10.797 271 HA CYS 38 HA CYS 38 73.832 1.819 -8.959 272 HB2 CYS 38 HB2 CYS 38 72.824 4.118 -10.641 273 HB3 CYS 38 HB1 CYS 38 71.776 3.131 -9.623 274 H MET 39 HN MET 39 72.288 0.305 -9.470 275 HA MET 39 HA MET 39 72.612 -1.087 -11.920 276 HB2 MET 39 HB2 MET 39 70.440 -2.278 -11.038 277 HB3 MET 39 HB1 MET 39 71.955 -2.473 -10.161 278 HG2 MET 39 HG2 MET 39 71.325 -0.822 -8.533 279 HG3 MET 39 HG1 MET 39 69.930 -0.324 -9.489 280 HE1 MET 39 HE1 MET 39 70.935 -2.679 -6.440 281 HE2 MET 39 HE2 MET 39 71.807 -3.069 -7.918 282 HE3 MET 39 HE3 MET 39 70.652 -4.222 -7.257 283 H SER 40 HN SER 40 70.372 -1.791 -13.032 284 HA SER 40 HA SER 40 69.603 0.214 -14.739 285 HB2 SER 40 HB2 SER 40 67.884 -2.085 -13.776 286 HB3 SER 40 HB1 SER 40 67.607 -1.140 -15.237 287 HG SER 40 HG SER 40 68.773 -3.108 -15.602 288 H MET 41 HN MET 41 69.303 2.163 -13.599 289 HA MET 41 HA MET 41 66.592 2.516 -12.554 290 HB2 MET 41 HB2 MET 41 68.094 1.977 -10.591 291 HB3 MET 41 HB1 MET 41 68.979 3.458 -10.953 292 HG2 MET 41 HG2 MET 41 67.342 4.016 -9.282 293 HG3 MET 41 HG1 MET 41 66.774 4.696 -10.805 294 HE1 MET 41 HE1 MET 41 64.648 1.872 -8.076 295 HE2 MET 41 HE2 MET 41 65.412 3.439 -7.818 296 HE3 MET 41 HE3 MET 41 66.411 2.014 -8.095 297 H GLY 42 HN GLY 42 65.757 4.275 -13.447 298 HA2 GLY 42 HA2 GLY 42 67.570 6.353 -14.540 299 HA3 GLY 42 HA1 GLY 42 65.958 5.989 -15.147 300 H CYS 43 HN CYS 43 66.877 6.288 -11.753 301 HA CYS 43 HA CYS 43 66.041 7.634 -10.089 302 HB2 CYS 43 HB2 CYS 43 67.470 9.266 -11.288 303 HB3 CYS 43 HB1 CYS 43 66.089 9.708 -12.295 304 H VAL 44 HN VAL 44 64.048 6.847 -9.599 305 HA VAL 44 HA VAL 44 61.718 8.119 -10.916 306 HB VAL 44 HB VAL 44 60.511 5.968 -10.721 307 HG11 VAL 44 HG11 VAL 44 61.632 6.609 -12.830 308 HG12 VAL 44 HG12 VAL 44 61.665 4.861 -12.598 309 HG13 VAL 44 HG13 VAL 44 63.111 5.821 -12.279 310 HG21 VAL 44 HG21 VAL 44 61.776 4.942 -8.913 311 HG22 VAL 44 HG22 VAL 44 63.251 4.969 -9.878 312 HG23 VAL 44 HG23 VAL 44 61.914 3.916 -10.341 313 H SER 45 HN SER 45 59.777 8.131 -9.582 314 HA SER 45 HA SER 45 60.218 9.090 -7.012 315 HB2 SER 45 HB2 SER 45 58.164 9.578 -8.225 316 HB3 SER 45 HB1 SER 45 57.710 7.876 -8.187 317 HG SER 45 HG SER 45 58.275 9.319 -5.827 318 H GLY 46 HN GLY 46 60.398 8.203 -5.050 319 HA2 GLY 46 HA2 GLY 46 59.356 5.710 -4.259 320 HA3 GLY 46 HA1 GLY 46 61.040 5.496 -4.725 321 H CYS 47 HN CYS 47 60.845 4.869 -2.340 322 HA CYS 47 HA CYS 47 61.530 7.205 -0.649 323 HB2 CYS 47 HB2 CYS 47 60.759 5.628 1.255 324 HB3 CYS 47 HB1 CYS 47 59.537 6.450 0.293 325 H LEU 48 HN LEU 48 63.457 7.232 0.264 326 HA LEU 48 HA LEU 48 64.987 4.695 0.491 327 HB2 LEU 48 HB2 LEU 48 66.102 7.407 -0.252 328 HB3 LEU 48 HB1 LEU 48 66.994 5.890 -0.152 329 HG LEU 48 HG LEU 48 64.678 6.407 -2.029 330 HD11 LEU 48 HD11 LEU 48 66.387 6.605 -3.779 331 HD12 LEU 48 HD12 LEU 48 67.660 6.236 -2.619 332 HD13 LEU 48 HD13 LEU 48 66.773 7.751 -2.493 333 HD21 LEU 48 HD21 LEU 48 64.799 4.061 -1.747 334 HD22 LEU 48 HD22 LEU 48 66.543 4.072 -1.547 335 HD23 LEU 48 HD23 LEU 48 65.835 4.315 -3.141 336 H CYS 49 HN CYS 49 67.138 5.498 1.833 337 HA CYS 49 HA CYS 49 66.010 6.553 4.348 338 HB2 CYS 49 HB2 CYS 49 67.604 4.290 3.758 339 HB3 CYS 49 HB1 CYS 49 68.659 5.392 4.632 340 HA PRO 50 HA PRO 50 68.422 10.222 4.590 341 HB2 PRO 50 HB2 PRO 50 70.205 9.082 6.719 342 HB3 PRO 50 HB1 PRO 50 69.266 10.586 6.730 343 HG2 PRO 50 HG2 PRO 50 68.444 8.487 8.111 344 HG3 PRO 50 HG1 PRO 50 67.283 9.503 7.233 345 HD2 PRO 50 HD2 PRO 50 68.340 6.796 6.505 346 HD3 PRO 50 HD1 PRO 50 66.711 7.461 6.291 347 HA PRO 51 HA PRO 51 72.042 9.757 2.055 348 HB2 PRO 51 HB2 PRO 51 73.514 12.003 2.755 349 HB3 PRO 51 HB1 PRO 51 72.103 12.033 1.678 350 HG2 PRO 51 HG2 PRO 51 72.261 12.654 4.599 351 HG3 PRO 51 HG1 PRO 51 71.390 13.509 3.312 352 HD2 PRO 51 HD2 PRO 51 70.097 11.846 4.985 353 HD3 PRO 51 HD1 PRO 51 69.646 11.948 3.269 354 H GLY 52 HN GLY 52 72.490 10.230 5.512 355 HA2 GLY 52 HA2 GLY 52 75.249 9.271 5.467 356 HA3 GLY 52 HA1 GLY 52 74.328 9.750 6.890 357 H MET 53 HN MET 53 72.198 7.937 5.419 358 HA MET 53 HA MET 53 73.148 5.386 6.643 359 HB2 MET 53 HB2 MET 53 70.842 6.899 7.259 360 HB3 MET 53 HB1 MET 53 70.250 5.538 6.318 361 HG2 MET 53 HG2 MET 53 70.278 4.963 8.694 362 HG3 MET 53 HG1 MET 53 71.464 3.988 7.824 363 HE1 MET 53 HE1 MET 53 71.597 3.701 10.328 364 HE2 MET 53 HE2 MET 53 71.619 5.109 11.381 365 HE3 MET 53 HE3 MET 53 73.108 4.227 11.075 366 H VAL 54 HN VAL 54 72.566 3.447 5.651 367 HA VAL 54 HA VAL 54 71.732 3.638 2.823 368 HB VAL 54 HB VAL 54 73.428 1.841 2.306 369 HG11 VAL 54 HG11 VAL 54 74.638 4.349 3.480 370 HG12 VAL 54 HG12 VAL 54 73.838 4.278 1.917 371 HG13 VAL 54 HG13 VAL 54 75.309 3.354 2.192 372 HG21 VAL 54 HG21 VAL 54 73.724 1.027 4.638 373 HG22 VAL 54 HG22 VAL 54 74.497 2.555 5.050 374 HG23 VAL 54 HG23 VAL 54 75.257 1.470 3.893 375 H ARG 55 HN ARG 55 70.301 2.146 2.191 376 HA ARG 55 HA ARG 55 69.077 0.490 4.187 377 HB2 ARG 55 HB2 ARG 55 67.611 -0.227 2.305 378 HB3 ARG 55 HB1 ARG 55 67.709 1.526 2.472 379 HG2 ARG 55 HG2 ARG 55 69.536 1.498 0.730 380 HG3 ARG 55 HG1 ARG 55 69.173 -0.209 0.476 381 HD2 ARG 55 HD2 ARG 55 66.847 0.369 -0.086 382 HD3 ARG 55 HD1 ARG 55 67.211 2.076 0.163 383 HE ARG 55 HE ARG 55 68.021 0.441 -2.111 384 HH11 ARG 55 HH21 ARG 55 68.470 3.325 -0.246 385 HH12 ARG 55 HH22 ARG 55 69.216 4.207 -1.535 386 HH21 ARG 55 HH11 ARG 55 69.013 1.591 -3.800 387 HH22 ARG 55 HH12 ARG 55 69.525 3.226 -3.545 388 H HIS 56 HN HIS 56 69.454 -1.549 4.649 389 HA HIS 56 HA HIS 56 70.931 -3.297 2.795 390 HB2 HIS 56 HB2 HIS 56 72.705 -2.576 4.161 391 HB3 HIS 56 HB1 HIS 56 71.694 -2.505 5.600 392 HD2 HIS 56 HD2 HIS 56 72.738 -4.501 7.203 393 HE1 HIS 56 HE1 HIS 56 72.913 -7.538 4.299 394 HE2 HIS 56 HE2 HIS 56 73.247 -7.020 6.753 395 H GLU 57 HN GLU 57 70.013 -5.276 2.672 396 HA GLU 57 HA GLU 57 68.425 -6.926 3.019 397 HB2 GLU 57 HB2 GLU 57 70.289 -7.248 4.810 398 HB3 GLU 57 HB1 GLU 57 69.081 -6.672 5.952 399 HG2 GLU 57 HG2 GLU 57 68.907 -9.060 5.930 400 HG3 GLU 57 HG1 GLU 57 67.527 -8.466 5.013 401 H ASN 58 HN ASN 58 67.519 -4.081 3.252 402 HA ASN 58 HA ASN 58 65.362 -3.221 3.418 403 HB2 ASN 58 HB2 ASN 58 64.672 -5.735 3.780 404 HB3 ASN 58 HB1 ASN 58 64.558 -5.265 5.475 405 HD21 ASN 58 HD21 ASN 58 62.227 -5.407 5.555 406 HD22 ASN 58 HD22 ASN 58 61.231 -4.313 4.722 407 H ARG 59 HN ARG 59 67.789 -3.201 5.529 408 HA ARG 59 HA ARG 59 66.342 -1.548 7.514 409 HB2 ARG 59 HB2 ARG 59 67.556 -2.525 9.270 410 HB3 ARG 59 HB1 ARG 59 67.271 -3.904 8.218 411 HG2 ARG 59 HG2 ARG 59 69.682 -2.969 7.222 412 HG3 ARG 59 HG1 ARG 59 69.833 -2.555 8.917 413 HD2 ARG 59 HD2 ARG 59 69.124 -5.317 7.874 414 HD3 ARG 59 HD1 ARG 59 70.739 -4.821 8.367 415 HE ARG 59 HE ARG 59 68.507 -5.428 10.126 416 HH11 ARG 59 HH21 ARG 59 71.544 -3.832 9.694 417 HH12 ARG 59 HH22 ARG 59 71.911 -3.760 11.386 418 HH21 ARG 59 HH11 ARG 59 68.984 -5.341 12.362 419 HH22 ARG 59 HH12 ARG 59 70.462 -4.612 12.894 420 H CYS 60 HN CYS 60 67.533 0.301 8.332 421 HA CYS 60 HA CYS 60 69.612 1.215 6.432 422 HB2 CYS 60 HB2 CYS 60 68.018 2.804 8.449 423 HB3 CYS 60 HB1 CYS 60 69.186 3.454 7.295 424 H VAL 61 HN VAL 61 71.619 1.482 6.976 425 HA VAL 61 HA VAL 61 72.380 1.573 9.825 426 HB VAL 61 HB VAL 61 74.146 -0.040 9.503 427 HG11 VAL 61 HG11 VAL 61 72.820 -2.019 9.330 428 HG12 VAL 61 HG12 VAL 61 71.648 -1.224 8.278 429 HG13 VAL 61 HG13 VAL 61 71.746 -0.782 9.983 430 HG21 VAL 61 HG21 VAL 61 73.171 -0.024 6.641 431 HG22 VAL 61 HG22 VAL 61 74.174 -1.320 7.291 432 HG23 VAL 61 HG23 VAL 61 74.795 0.328 7.231 433 H ALA 62 HN ALA 62 74.444 2.419 10.189 434 HA ALA 62 HA ALA 62 75.167 4.614 8.462 435 HB1 ALA 62 HB1 ALA 62 76.720 5.173 10.116 436 HB2 ALA 62 HB2 ALA 62 76.883 3.502 10.658 437 HB3 ALA 62 HB3 ALA 62 75.420 4.408 11.028 438 H LEU 63 HN LEU 63 76.953 4.930 7.265 439 HA LEU 63 HA LEU 63 77.766 2.908 5.579 440 HB2 LEU 63 HB2 LEU 63 79.059 5.518 6.335 441 HB3 LEU 63 HB1 LEU 63 79.868 4.436 5.209 442 HG LEU 63 HG LEU 63 78.433 6.203 4.125 443 HD11 LEU 63 HD11 LEU 63 77.749 4.819 2.387 444 HD12 LEU 63 HD12 LEU 63 77.229 3.528 3.462 445 HD13 LEU 63 HD13 LEU 63 78.946 3.801 3.180 446 HD21 LEU 63 HD21 LEU 63 76.680 6.085 5.911 447 HD22 LEU 63 HD22 LEU 63 76.140 4.559 5.219 448 HD23 LEU 63 HD23 LEU 63 76.037 6.044 4.273 449 H GLU 64 HN GLU 64 79.500 4.087 8.499 450 HA GLU 64 HA GLU 64 81.632 2.250 8.202 451 HB2 GLU 64 HB2 GLU 64 82.294 2.963 10.388 452 HB3 GLU 64 HB1 GLU 64 81.640 4.380 9.566 453 HG2 GLU 64 HG2 GLU 64 79.396 3.786 10.657 454 HG3 GLU 64 HG1 GLU 64 80.312 2.672 11.671 455 H ARG 65 HN ARG 65 78.344 1.818 9.139 456 HA ARG 65 HA ARG 65 78.976 -0.601 10.723 457 HB2 ARG 65 HB2 ARG 65 76.435 0.995 10.308 458 HB3 ARG 65 HB1 ARG 65 76.494 -0.530 11.191 459 HG2 ARG 65 HG2 ARG 65 78.068 0.409 12.791 460 HG3 ARG 65 HG1 ARG 65 78.127 1.920 11.881 461 HD2 ARG 65 HD2 ARG 65 75.738 2.264 12.257 462 HD3 ARG 65 HD1 ARG 65 75.644 0.742 13.131 463 HE ARG 65 HE ARG 65 76.799 3.242 14.106 464 HH11 ARG 65 HH21 ARG 65 76.388 -0.177 14.477 465 HH12 ARG 65 HH22 ARG 65 76.813 -0.184 16.155 466 HH21 ARG 65 HH11 ARG 65 77.362 3.237 16.304 467 HH22 ARG 65 HH12 ARG 65 77.365 1.748 17.190 468 H CYS 66 HN CYS 66 78.278 0.296 7.597 469 HA CYS 66 HA CYS 66 76.434 -1.604 6.741 470 HB2 CYS 66 HB2 CYS 66 76.892 -0.172 4.996 471 HB3 CYS 66 HB1 CYS 66 78.570 0.006 5.466 472 HA PRO 67 HA PRO 67 78.706 -5.419 7.121 473 HB2 PRO 67 HB2 PRO 67 77.414 -6.971 5.299 474 HB3 PRO 67 HB1 PRO 67 76.640 -6.449 6.811 475 HG2 PRO 67 HG2 PRO 67 76.393 -5.282 4.064 476 HG3 PRO 67 HG1 PRO 67 75.124 -5.652 5.244 477 HD2 PRO 67 HD2 PRO 67 76.089 -3.133 4.929 478 HD3 PRO 67 HD1 PRO 67 75.536 -3.744 6.505 479 H CYS 68 HN CYS 68 80.101 -6.883 5.929 480 HA CYS 68 HA CYS 68 81.326 -5.576 3.538 481 HB2 CYS 68 HB2 CYS 68 82.435 -7.307 5.707 482 HB3 CYS 68 HB1 CYS 68 83.219 -7.280 4.130 483 H PHE 69 HN PHE 69 82.289 -7.083 1.924 484 HA PHE 69 HA PHE 69 80.656 -9.535 1.557 485 HB2 PHE 69 HB2 PHE 69 81.353 -7.527 -0.605 486 HB3 PHE 69 HB1 PHE 69 80.400 -8.993 -0.804 487 HD1 PHE 69 HD1 PHE 69 80.473 -5.785 1.145 488 HD2 PHE 69 HD2 PHE 69 78.061 -8.894 -0.580 489 HE1 PHE 69 HE1 PHE 69 78.416 -4.499 1.690 490 HE2 PHE 69 HE2 PHE 69 76.009 -7.611 -0.028 491 HZ PHE 69 HZ PHE 69 76.189 -5.403 1.085 492 H HIS 70 HN HIS 70 81.914 -11.253 1.286 493 HA HIS 70 HA HIS 70 84.394 -11.015 -0.267 494 HB2 HIS 70 HB2 HIS 70 84.737 -10.843 2.341 495 HB3 HIS 70 HB1 HIS 70 84.466 -12.581 2.307 496 HD2 HIS 70 HD2 HIS 70 86.633 -14.080 1.400 497 HE1 HIS 70 HE1 HIS 70 89.058 -10.835 0.216 498 HE2 HIS 70 HE2 HIS 70 88.985 -13.353 0.533 499 H GLN 71 HN GLN 71 84.519 -12.600 -1.710 500 HA GLN 71 HA GLN 71 84.064 -14.527 -2.871 501 HB2 GLN 71 HB2 GLN 71 83.913 -15.572 -0.038 502 HB3 GLN 71 HB1 GLN 71 83.898 -16.602 -1.467 503 HG2 GLN 71 HG2 GLN 71 86.078 -15.761 -2.149 504 HG3 GLN 71 HG1 GLN 71 86.087 -14.611 -0.814 505 HE21 GLN 71 HE21 GLN 71 87.199 -17.659 -1.716 506 HE22 GLN 71 HE22 GLN 71 87.469 -18.301 -0.168 507 H GLY 72 HN GLY 72 81.744 -12.858 -2.594 508 HA2 GLY 72 HA2 GLY 72 79.528 -13.058 -3.159 509 HA3 GLY 72 HA1 GLY 72 79.725 -14.805 -3.141 510 H LYS 73 HN LYS 73 80.864 -13.879 -0.234 511 HA LYS 73 HA LYS 73 78.247 -14.320 1.086 512 HB2 LYS 73 HB2 LYS 73 81.094 -14.824 1.946 513 HB3 LYS 73 HB1 LYS 73 79.759 -14.813 3.101 514 HG2 LYS 73 HG2 LYS 73 78.606 -16.539 1.754 515 HG3 LYS 73 HG1 LYS 73 79.991 -16.584 0.659 516 HD2 LYS 73 HD2 LYS 73 81.456 -17.179 2.557 517 HD3 LYS 73 HD1 LYS 73 80.047 -17.187 3.622 518 HE2 LYS 73 HE2 LYS 73 80.273 -18.892 1.141 519 HE3 LYS 73 HE1 LYS 73 80.690 -19.459 2.757 520 HZ1 LYS 73 HZ1 LYS 73 78.557 -19.935 3.022 521 HZ2 LYS 73 HZ2 LYS 73 78.133 -19.176 1.562 522 HZ3 LYS 73 HZ3 LYS 73 78.224 -18.272 2.998 523 H GLU 74 HN GLU 74 77.634 -13.082 2.864 524 HA GLU 74 HA GLU 74 78.816 -10.375 2.869 525 HB2 GLU 74 HB2 GLU 74 76.101 -11.387 3.758 526 HB3 GLU 74 HB1 GLU 74 76.645 -9.716 3.908 527 HG2 GLU 74 HG2 GLU 74 76.934 -9.562 1.489 528 HG3 GLU 74 HG1 GLU 74 76.475 -11.250 1.302 529 H TYR 75 HN TYR 75 79.852 -9.638 4.595 530 HA TYR 75 HA TYR 75 79.644 -11.131 7.154 531 HB2 TYR 75 HB2 TYR 75 82.024 -9.544 6.192 532 HB3 TYR 75 HB1 TYR 75 81.937 -10.604 7.597 533 HD1 TYR 75 HD1 TYR 75 81.511 -10.595 3.894 534 HD2 TYR 75 HD2 TYR 75 82.503 -12.885 7.385 535 HE1 TYR 75 HE1 TYR 75 82.131 -12.509 2.471 536 HE2 TYR 75 HE2 TYR 75 83.125 -14.801 5.945 537 HH TYR 75 HH TYR 75 82.989 -14.546 2.394 538 H ALA 76 HN ALA 76 80.525 -9.671 8.981 539 HA ALA 76 HA ALA 76 79.131 -7.057 8.806 540 HB1 ALA 76 HB1 ALA 76 79.335 -7.763 11.507 541 HB2 ALA 76 HB2 ALA 76 79.026 -9.292 10.690 542 HB3 ALA 76 HB3 ALA 76 77.903 -7.949 10.493 543 HA PRO 77 HA PRO 77 82.778 -4.867 9.894 544 HB2 PRO 77 HB2 PRO 77 81.914 -3.271 12.016 545 HB3 PRO 77 HB1 PRO 77 81.610 -2.919 10.303 546 HG2 PRO 77 HG2 PRO 77 79.820 -4.223 12.311 547 HG3 PRO 77 HG1 PRO 77 79.429 -3.023 11.064 548 HD2 PRO 77 HD2 PRO 77 78.849 -5.624 10.705 549 HD3 PRO 77 HD1 PRO 77 79.408 -4.618 9.349 550 H GLY 78 HN GLY 78 84.550 -5.300 11.057 551 HA2 GLY 78 HA2 GLY 78 85.891 -5.870 12.883 552 HA3 GLY 78 HA1 GLY 78 84.437 -6.106 13.848 553 H GLU 79 HN GLU 79 83.823 -7.730 11.092 554 HA GLU 79 HA GLU 79 84.382 -10.301 12.316 555 HB2 GLU 79 HB2 GLU 79 82.258 -9.750 11.030 556 HB3 GLU 79 HB1 GLU 79 83.231 -9.790 9.562 557 HG2 GLU 79 HG2 GLU 79 83.269 -12.113 11.496 558 HG3 GLU 79 HG1 GLU 79 82.003 -11.965 10.287 559 H THR 80 HN THR 80 85.910 -11.744 11.733 560 HA THR 80 HA THR 80 87.942 -10.852 9.786 561 HB THR 80 HB THR 80 89.479 -11.714 11.198 562 HG1 THR 80 HG1 THR 80 87.655 -13.837 11.609 563 HG21 THR 80 HG21 THR 80 88.882 -11.659 13.497 564 HG22 THR 80 HG22 THR 80 87.217 -12.118 13.140 565 HG23 THR 80 HG23 THR 80 87.801 -10.519 12.700 566 H VAL 81 HN VAL 81 88.822 -12.155 8.323 567 HA VAL 81 HA VAL 81 87.636 -14.794 7.831 568 HB VAL 81 HB VAL 81 87.306 -14.324 5.461 569 HG11 VAL 81 HG11 VAL 81 85.534 -13.745 7.196 570 HG12 VAL 81 HG12 VAL 81 85.378 -12.926 5.641 571 HG13 VAL 81 HG13 VAL 81 86.050 -12.069 7.026 572 HG21 VAL 81 HG21 VAL 81 88.337 -11.572 6.205 573 HG22 VAL 81 HG22 VAL 81 87.494 -11.911 4.695 574 HG23 VAL 81 HG23 VAL 81 89.037 -12.693 5.038 575 H LYS 82 HN LYS 82 89.055 -16.225 6.794 576 HA LYS 82 HA LYS 82 91.822 -15.304 6.822 577 HB2 LYS 82 HB2 LYS 82 90.591 -17.425 8.031 578 HB3 LYS 82 HB1 LYS 82 91.085 -18.190 6.528 579 HG2 LYS 82 HG2 LYS 82 92.919 -16.688 8.420 580 HG3 LYS 82 HG1 LYS 82 92.796 -18.443 8.291 581 HD2 LYS 82 HD2 LYS 82 93.484 -18.324 5.938 582 HD3 LYS 82 HD1 LYS 82 93.615 -16.573 6.068 583 HE2 LYS 82 HE2 LYS 82 95.312 -16.815 7.836 584 HE3 LYS 82 HE1 LYS 82 95.195 -18.569 7.708 585 HZ1 LYS 82 HZ1 LYS 82 95.781 -16.956 5.322 586 HZ2 LYS 82 HZ2 LYS 82 96.176 -18.575 5.646 587 HZ3 LYS 82 HZ3 LYS 82 97.024 -17.320 6.417 588 H ILE 83 HN ILE 83 92.907 -15.147 4.896 589 HA ILE 83 HA ILE 83 91.775 -16.477 2.494 590 HB ILE 83 HB ILE 83 92.919 -13.675 2.654 591 HG12 ILE 83 HG12 ILE 83 90.099 -14.567 1.985 592 HG13 ILE 83 HG11 ILE 83 90.588 -14.054 3.599 593 HG21 ILE 83 HG21 ILE 83 91.903 -15.382 0.371 594 HG22 ILE 83 HG22 ILE 83 93.470 -14.587 0.514 595 HG23 ILE 83 HG23 ILE 83 92.015 -13.626 0.258 596 HD11 ILE 83 HD11 ILE 83 89.685 -12.112 2.552 597 HD12 ILE 83 HD12 ILE 83 90.577 -12.413 1.060 598 HD13 ILE 83 HD13 ILE 83 91.431 -11.901 2.511 599 H GLY 84 HN GLY 84 93.236 -17.911 1.778 600 HA2 GLY 84 HA2 GLY 84 95.251 -18.908 1.277 601 HA3 GLY 84 HA1 GLY 84 95.850 -17.274 1.015 602 H CYS 85 HN CYS 85 97.527 -16.729 2.232 603 HA CYS 85 HA CYS 85 98.032 -18.159 4.768 604 HB2 CYS 85 HB2 CYS 85 99.663 -17.630 2.578 605 HB3 CYS 85 HB1 CYS 85 100.186 -16.434 3.758 606 H ASN 86 HN ASN 86 96.544 -15.441 3.802 607 HA ASN 86 HA ASN 86 97.309 -13.902 6.239 608 HB2 ASN 86 HB2 ASN 86 96.612 -11.880 4.818 609 HB3 ASN 86 HB1 ASN 86 98.180 -12.609 4.483 610 HD21 ASN 86 HD21 ASN 86 98.521 -12.729 2.286 611 HD22 ASN 86 HD22 ASN 86 97.331 -13.085 1.128 612 H THR 87 HN THR 87 95.694 -12.500 7.006 613 HA THR 87 HA THR 87 92.881 -13.331 6.478 614 HB THR 87 HB THR 87 94.029 -14.197 8.661 615 HG1 THR 87 HG1 THR 87 91.543 -12.892 8.840 616 HG21 THR 87 HG21 THR 87 94.714 -11.783 9.256 617 HG22 THR 87 HG22 THR 87 93.994 -12.764 10.533 618 HG23 THR 87 HG23 THR 87 93.019 -11.561 9.690 619 H CYS 88 HN CYS 88 91.263 -11.866 7.006 620 HA CYS 88 HA CYS 88 92.175 -9.066 7.267 621 HB2 CYS 88 HB2 CYS 88 90.090 -9.806 5.224 622 HB3 CYS 88 HB1 CYS 88 91.088 -8.353 5.320 623 H VAL 89 HN VAL 89 90.459 -7.546 7.658 624 HA VAL 89 HA VAL 89 88.079 -8.745 8.899 625 HB VAL 89 HB VAL 89 90.037 -8.117 10.520 626 HG11 VAL 89 HG11 VAL 89 90.171 -5.799 9.421 627 HG12 VAL 89 HG12 VAL 89 90.187 -5.854 11.182 628 HG13 VAL 89 HG13 VAL 89 88.710 -5.422 10.321 629 HG21 VAL 89 HG21 VAL 89 87.217 -7.128 10.990 630 HG22 VAL 89 HG22 VAL 89 88.403 -7.513 12.240 631 HG23 VAL 89 HG23 VAL 89 87.769 -8.786 11.202 632 H CYS 90 HN CYS 90 86.232 -7.588 8.767 633 HA CYS 90 HA CYS 90 86.004 -5.589 6.737 634 HB2 CYS 90 HB2 CYS 90 84.207 -7.193 7.213 635 HB3 CYS 90 HB1 CYS 90 84.048 -6.556 8.847 636 H ARG 91 HN ARG 91 86.892 -3.687 7.098 637 HA ARG 91 HA ARG 91 86.013 -2.121 9.437 638 HB2 ARG 91 HB2 ARG 91 88.812 -2.723 8.555 639 HB3 ARG 91 HB1 ARG 91 88.478 -1.127 9.220 640 HG2 ARG 91 HG2 ARG 91 87.453 -3.517 10.734 641 HG3 ARG 91 HG1 ARG 91 89.183 -3.181 10.798 642 HD2 ARG 91 HD2 ARG 91 88.040 -2.066 12.655 643 HD3 ARG 91 HD1 ARG 91 88.696 -0.871 11.541 644 HE ARG 91 HE ARG 91 86.518 -0.251 10.979 645 HH11 ARG 91 HH21 ARG 91 86.583 -3.189 12.803 646 HH12 ARG 91 HH22 ARG 91 84.870 -3.231 13.060 647 HH21 ARG 91 HH11 ARG 91 84.272 -0.298 11.307 648 HH22 ARG 91 HH12 ARG 91 83.561 -1.592 12.213 649 H ASP 92 HN ASP 92 85.058 -0.332 8.720 650 HA ASP 92 HA ASP 92 84.454 1.426 7.424 651 HB2 ASP 92 HB2 ASP 92 87.330 1.209 6.521 652 HB3 ASP 92 HB1 ASP 92 86.240 2.501 6.027 653 H ARG 93 HN ARG 93 83.448 -0.843 6.573 654 HA ARG 93 HA ARG 93 82.538 -1.922 4.742 655 HB2 ARG 93 HB2 ARG 93 83.192 0.801 3.608 656 HB3 ARG 93 HB1 ARG 93 82.310 -0.428 2.703 657 HG2 ARG 93 HG2 ARG 93 80.543 -0.473 4.329 658 HG3 ARG 93 HG1 ARG 93 81.460 0.544 5.442 659 HD2 ARG 93 HD2 ARG 93 79.755 1.859 4.223 660 HD3 ARG 93 HD1 ARG 93 81.388 2.398 3.844 661 HE ARG 93 HE ARG 93 80.169 0.434 2.038 662 HH11 ARG 93 HH21 ARG 93 81.059 3.720 2.715 663 HH12 ARG 93 HH22 ARG 93 80.973 4.218 1.061 664 HH21 ARG 93 HH11 ARG 93 80.058 1.094 -0.120 665 HH22 ARG 93 HH12 ARG 93 80.409 2.737 -0.540 666 H LYS 94 HN LYS 94 85.705 -1.647 5.110 667 HA LYS 94 HA LYS 94 86.305 -2.959 2.524 668 HB2 LYS 94 HB2 LYS 94 87.127 -0.546 2.675 669 HB3 LYS 94 HB1 LYS 94 88.191 -1.090 3.973 670 HG2 LYS 94 HG2 LYS 94 89.243 -2.711 2.484 671 HG3 LYS 94 HG1 LYS 94 88.121 -2.288 1.191 672 HD2 LYS 94 HD2 LYS 94 88.999 0.023 1.185 673 HD3 LYS 94 HD1 LYS 94 90.131 -0.407 2.470 674 HE2 LYS 94 HE2 LYS 94 91.081 -0.467 0.103 675 HE3 LYS 94 HE1 LYS 94 91.303 -1.938 1.051 676 HZ1 LYS 94 HZ1 LYS 94 88.830 -1.835 -0.430 677 HZ2 LYS 94 HZ2 LYS 94 89.959 -3.097 -0.283 678 HZ3 LYS 94 HZ3 LYS 94 90.216 -1.848 -1.407 679 H TRP 95 HN TRP 95 88.121 -4.419 2.672 680 HA TRP 95 HA TRP 95 88.255 -5.728 5.295 681 HB2 TRP 95 HB2 TRP 95 89.033 -6.530 2.489 682 HB3 TRP 95 HB1 TRP 95 89.457 -7.494 3.903 683 HD1 TRP 95 HD1 TRP 95 86.614 -6.679 1.602 684 HE1 TRP 95 HE1 TRP 95 84.510 -7.990 2.317 685 HE3 TRP 95 HE3 TRP 95 88.165 -8.443 6.150 686 HZ2 TRP 95 HZ2 TRP 95 83.623 -9.591 4.493 687 HZ3 TRP 95 HZ3 TRP 95 86.659 -9.873 7.504 688 HH2 TRP 95 HH2 TRP 95 84.391 -10.437 6.688 689 H ASN 96 HN ASN 96 90.036 -5.720 6.549 690 HA ASN 96 HA ASN 96 92.433 -4.291 5.517 691 HB2 ASN 96 HB2 ASN 96 91.068 -3.617 7.705 692 HB3 ASN 96 HB1 ASN 96 92.029 -4.896 8.434 693 HD21 ASN 96 HD21 ASN 96 92.108 -1.627 7.259 694 HD22 ASN 96 HD22 ASN 96 93.753 -1.342 7.565 695 H CYS 97 HN CYS 97 93.467 -5.987 4.502 696 HA CYS 97 HA CYS 97 93.827 -8.535 5.826 697 HB2 CYS 97 HB2 CYS 97 94.923 -7.417 3.240 698 HB3 CYS 97 HB1 CYS 97 95.187 -9.067 3.804 699 H THR 98 HN THR 98 95.524 -9.249 6.922 700 HA THR 98 HA THR 98 97.429 -7.482 8.020 701 HB THR 98 HB THR 98 96.716 -9.517 9.113 702 HG1 THR 98 HG1 THR 98 98.807 -8.681 9.549 703 HG21 THR 98 HG21 THR 98 97.072 -11.680 8.341 704 HG22 THR 98 HG22 THR 98 98.328 -11.173 7.223 705 HG23 THR 98 HG23 THR 98 96.638 -10.810 6.877 706 H ASP 99 HN ASP 99 97.710 -10.034 5.767 707 HA ASP 99 HA ASP 99 99.100 -10.461 3.996 708 HB2 ASP 99 HB2 ASP 99 98.671 -7.965 3.555 709 HB3 ASP 99 HB1 ASP 99 100.250 -7.691 4.290 710 H HIS 100 HN HIS 100 99.904 -10.539 6.950 711 HA HIS 100 HA HIS 100 102.659 -10.103 7.236 712 HB2 HIS 100 HB2 HIS 100 102.522 -11.528 9.173 713 HB3 HIS 100 HB1 HIS 100 101.036 -10.581 9.085 714 HD2 HIS 100 HD2 HIS 100 98.926 -12.270 9.627 715 HE1 HIS 100 HE1 HIS 100 100.405 -15.740 7.737 716 HE2 HIS 100 HE2 HIS 100 98.451 -14.765 9.031 717 H VAL 101 HN VAL 101 104.243 -11.960 7.666 718 HA VAL 101 HA VAL 101 104.851 -13.273 5.281 719 HB VAL 101 HB VAL 101 105.648 -14.087 8.084 720 HG11 VAL 101 HG11 VAL 101 106.178 -15.861 6.558 721 HG12 VAL 101 HG12 VAL 101 107.675 -14.969 6.834 722 HG13 VAL 101 HG13 VAL 101 106.764 -14.722 5.345 723 HG21 VAL 101 HG21 VAL 101 106.282 -11.809 7.771 724 HG22 VAL 101 HG22 VAL 101 106.778 -12.105 6.105 725 HG23 VAL 101 HG23 VAL 101 107.729 -12.758 7.438 726 H CYS 102 HN CYS 102 104.288 -15.169 4.401 727 HA CYS 102 HA CYS 102 101.968 -16.513 5.261 728 HB2 CYS 102 HB2 CYS 102 102.572 -16.554 2.943 729 HB3 CYS 102 HB1 CYS 102 104.126 -17.307 3.308 730 H ASP 103 HN ASP 103 102.759 -16.757 7.518 731 HA ASP 103 HA ASP 103 104.748 -18.423 8.427 732 HB2 ASP 103 HB2 ASP 103 103.209 -17.137 9.892 733 HB3 ASP 103 HB1 ASP 103 101.934 -18.302 9.538 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 50.365 4.539 -1.365 2 H2 GLY 1 HT2 GLY 1 50.740 3.875 -2.882 3 H3 GLY 1 HT3 GLY 1 49.692 5.208 -2.771 4 HA2 GLY 1 HA2 GLY 1 51.344 6.698 -2.553 5 HA3 GLY 1 HA1 GLY 1 52.332 5.575 -1.616 6 H ALA 2 HN ALA 2 54.094 6.323 -3.030 7 HA ALA 2 HA ALA 2 54.096 5.827 -5.828 8 HB1 ALA 2 HB1 ALA 2 56.388 6.094 -3.868 9 HB2 ALA 2 HB2 ALA 2 55.680 7.385 -4.839 10 HB3 ALA 2 HB3 ALA 2 56.563 6.076 -5.622 11 H MET 3 HN MET 3 54.770 4.083 -7.007 12 HA MET 3 HA MET 3 55.149 1.556 -5.518 13 HB2 MET 3 HB2 MET 3 53.284 1.649 -7.142 14 HB3 MET 3 HB1 MET 3 54.439 2.007 -8.426 15 HG2 MET 3 HG2 MET 3 55.554 -0.120 -8.099 16 HG3 MET 3 HG1 MET 3 54.566 -0.466 -6.679 17 HE1 MET 3 HE1 MET 3 54.898 -1.133 -10.462 18 HE2 MET 3 HE2 MET 3 54.572 0.587 -10.277 19 HE3 MET 3 HE3 MET 3 53.395 -0.443 -11.088 20 H GLY 4 HN GLY 4 57.121 0.749 -5.372 21 HA2 GLY 4 HA2 GLY 4 58.919 0.266 -7.402 22 HA3 GLY 4 HA1 GLY 4 59.353 1.858 -6.783 23 H SER 5 HN SER 5 61.375 0.485 -6.344 24 HA SER 5 HA SER 5 61.491 -1.481 -4.363 25 HB2 SER 5 HB2 SER 5 63.573 0.648 -4.896 26 HB3 SER 5 HB1 SER 5 63.841 -0.928 -4.159 27 HG SER 5 HG SER 5 62.689 -0.635 -6.724 28 H CYS 6 HN CYS 6 63.023 -0.791 -2.302 29 HA CYS 6 HA CYS 6 62.929 0.053 -0.169 30 HB2 CYS 6 HB2 CYS 6 63.703 2.111 -1.061 31 HB3 CYS 6 HB1 CYS 6 62.143 2.475 -1.790 32 H ARG 7 HN ARG 7 61.373 -1.188 0.770 33 HA ARG 7 HA ARG 7 58.569 -0.727 0.389 34 HB2 ARG 7 HB2 ARG 7 60.272 -2.571 1.963 35 HB3 ARG 7 HB1 ARG 7 58.736 -2.183 2.733 36 HG2 ARG 7 HG2 ARG 7 58.405 -4.146 1.390 37 HG3 ARG 7 HG1 ARG 7 57.610 -2.814 0.548 38 HD2 ARG 7 HD2 ARG 7 58.903 -4.067 -1.073 39 HD3 ARG 7 HD1 ARG 7 59.700 -2.517 -0.812 40 HE ARG 7 HE ARG 7 60.700 -4.611 0.907 41 HH11 ARG 7 HH21 ARG 7 60.868 -3.093 -2.195 42 HH12 ARG 7 HH22 ARG 7 62.490 -3.609 -2.515 43 HH21 ARG 7 HH11 ARG 7 62.831 -5.292 0.498 44 HH22 ARG 7 HH12 ARG 7 63.602 -4.855 -0.990 45 HA PRO 8 HA PRO 8 58.695 1.209 4.803 46 HB2 PRO 8 HB2 PRO 8 61.198 1.823 5.817 47 HB3 PRO 8 HB1 PRO 8 60.315 0.325 6.173 48 HG2 PRO 8 HG2 PRO 8 62.477 0.803 4.164 49 HG3 PRO 8 HG1 PRO 8 62.256 -0.561 5.277 50 HD2 PRO 8 HD2 PRO 8 61.578 -0.776 2.691 51 HD3 PRO 8 HD1 PRO 8 60.600 -1.541 3.965 52 HA PRO 9 HA PRO 9 59.622 4.952 2.361 53 HB2 PRO 9 HB2 PRO 9 57.350 6.336 2.861 54 HB3 PRO 9 HB1 PRO 9 57.393 4.973 1.725 55 HG2 PRO 9 HG2 PRO 9 56.353 5.084 4.511 56 HG3 PRO 9 HG1 PRO 9 55.763 4.157 3.121 57 HD2 PRO 9 HD2 PRO 9 57.377 3.139 5.196 58 HD3 PRO 9 HD1 PRO 9 57.099 2.368 3.624 59 H MET 10 HN MET 10 61.136 6.397 3.240 60 HA MET 10 HA MET 10 60.374 7.754 5.749 61 HB2 MET 10 HB2 MET 10 63.276 7.388 5.265 62 HB3 MET 10 HB1 MET 10 62.356 7.206 6.751 63 HG2 MET 10 HG2 MET 10 63.167 5.030 6.220 64 HG3 MET 10 HG1 MET 10 61.466 5.016 5.753 65 HE1 MET 10 HE1 MET 10 63.472 2.748 3.314 66 HE2 MET 10 HE2 MET 10 63.145 2.954 5.033 67 HE3 MET 10 HE3 MET 10 64.683 3.494 4.364 68 H VAL 11 HN VAL 11 62.787 7.852 3.076 69 HA VAL 11 HA VAL 11 62.395 10.798 2.952 70 HB VAL 11 HB VAL 11 64.732 9.338 1.739 71 HG11 VAL 11 HG11 VAL 11 64.311 11.740 1.234 72 HG12 VAL 11 HG12 VAL 11 65.831 11.488 2.093 73 HG13 VAL 11 HG13 VAL 11 64.419 12.094 2.959 74 HG21 VAL 11 HG21 VAL 11 64.363 10.132 4.633 75 HG22 VAL 11 HG22 VAL 11 65.944 9.874 3.898 76 HG23 VAL 11 HG23 VAL 11 64.794 8.548 3.993 77 H LYS 12 HN LYS 12 60.975 11.178 1.417 78 HA LYS 12 HA LYS 12 60.691 9.493 -0.918 79 HB2 LYS 12 HB2 LYS 12 59.356 12.074 -0.073 80 HB3 LYS 12 HB1 LYS 12 58.944 11.202 -1.546 81 HG2 LYS 12 HG2 LYS 12 58.901 9.800 1.123 82 HG3 LYS 12 HG1 LYS 12 57.529 10.774 0.607 83 HD2 LYS 12 HD2 LYS 12 57.414 9.423 -1.496 84 HD3 LYS 12 HD1 LYS 12 58.699 8.393 -0.869 85 HE2 LYS 12 HE2 LYS 12 57.298 7.843 1.090 86 HE3 LYS 12 HE1 LYS 12 56.002 8.841 0.433 87 HZ1 LYS 12 HZ1 LYS 12 55.564 6.621 -0.207 88 HZ2 LYS 12 HZ2 LYS 12 57.158 6.378 -0.742 89 HZ3 LYS 12 HZ3 LYS 12 56.121 7.419 -1.596 90 H LEU 13 HN LEU 13 61.216 9.947 -2.969 91 HA LEU 13 HA LEU 13 62.514 12.504 -3.615 92 HB2 LEU 13 HB2 LEU 13 64.416 11.435 -4.614 93 HB3 LEU 13 HB1 LEU 13 64.268 10.850 -2.962 94 HG LEU 13 HG LEU 13 62.774 8.948 -4.258 95 HD11 LEU 13 HD11 LEU 13 65.065 9.304 -6.179 96 HD12 LEU 13 HD12 LEU 13 63.571 10.189 -6.459 97 HD13 LEU 13 HD13 LEU 13 63.550 8.428 -6.393 98 HD21 LEU 13 HD21 LEU 13 65.784 8.896 -4.016 99 HD22 LEU 13 HD22 LEU 13 64.716 7.493 -4.084 100 HD23 LEU 13 HD23 LEU 13 64.665 8.575 -2.690 101 H VAL 14 HN VAL 14 61.591 13.284 -5.381 102 HA VAL 14 HA VAL 14 60.473 11.387 -7.341 103 HB VAL 14 HB VAL 14 58.761 13.153 -7.808 104 HG11 VAL 14 HG11 VAL 14 58.867 12.310 -4.900 105 HG12 VAL 14 HG12 VAL 14 58.393 11.238 -6.218 106 HG13 VAL 14 HG13 VAL 14 57.422 12.662 -5.848 107 HG21 VAL 14 HG21 VAL 14 60.020 14.432 -5.358 108 HG22 VAL 14 HG22 VAL 14 58.522 14.965 -6.121 109 HG23 VAL 14 HG23 VAL 14 60.046 15.087 -6.996 110 H CYS 15 HN CYS 15 60.325 12.246 -9.545 111 HA CYS 15 HA CYS 15 62.683 13.936 -10.149 112 HB2 CYS 15 HB2 CYS 15 61.291 12.038 -12.021 113 HB3 CYS 15 HB1 CYS 15 62.852 12.830 -12.238 114 HA PRO 16 HA PRO 16 59.577 17.109 -11.197 115 HB2 PRO 16 HB2 PRO 16 61.930 18.106 -12.772 116 HB3 PRO 16 HB1 PRO 16 60.829 19.002 -11.702 117 HG2 PRO 16 HG2 PRO 16 63.287 18.309 -10.923 118 HG3 PRO 16 HG1 PRO 16 61.925 18.318 -9.794 119 HD2 PRO 16 HD2 PRO 16 63.366 16.009 -10.984 120 HD3 PRO 16 HD1 PRO 16 62.471 16.116 -9.462 121 H ALA 17 HN ALA 17 58.987 18.241 -13.384 122 HA ALA 17 HA ALA 17 58.142 16.292 -15.214 123 HB1 ALA 17 HB1 ALA 17 58.490 19.253 -15.731 124 HB2 ALA 17 HB2 ALA 17 57.092 18.541 -14.928 125 HB3 ALA 17 HB3 ALA 17 57.440 18.144 -16.612 126 H ASP 18 HN ASP 18 60.832 18.606 -15.325 127 HA ASP 18 HA ASP 18 61.900 17.169 -17.670 128 HB2 ASP 18 HB2 ASP 18 62.427 19.925 -16.579 129 HB3 ASP 18 HB1 ASP 18 63.472 19.174 -17.779 130 H ASN 19 HN ASN 19 61.981 16.428 -14.740 131 HA ASN 19 HA ASN 19 63.483 15.687 -13.174 132 HB2 ASN 19 HB2 ASN 19 65.324 14.321 -14.140 133 HB3 ASN 19 HB1 ASN 19 63.725 13.931 -14.769 134 HD21 ASN 19 HD21 ASN 19 63.504 13.980 -17.017 135 HD22 ASN 19 HD22 ASN 19 64.618 14.692 -18.080 136 H LEU 20 HN LEU 20 63.836 18.197 -12.915 137 HA LEU 20 HA LEU 20 66.703 18.767 -13.329 138 HB2 LEU 20 HB2 LEU 20 66.090 21.159 -13.143 139 HB3 LEU 20 HB1 LEU 20 65.320 20.366 -14.515 140 HG LEU 20 HG LEU 20 63.781 20.321 -11.940 141 HD11 LEU 20 HD11 LEU 20 64.012 22.845 -13.589 142 HD12 LEU 20 HD12 LEU 20 64.665 22.623 -11.965 143 HD13 LEU 20 HD13 LEU 20 62.922 22.578 -12.228 144 HD21 LEU 20 HD21 LEU 20 63.083 19.442 -14.301 145 HD22 LEU 20 HD22 LEU 20 62.781 21.143 -14.661 146 HD23 LEU 20 HD23 LEU 20 61.906 20.353 -13.352 147 H ARG 21 HN ARG 21 65.257 17.333 -11.087 148 HA ARG 21 HA ARG 21 66.613 18.820 -8.934 149 HB2 ARG 21 HB2 ARG 21 64.118 19.384 -9.014 150 HB3 ARG 21 HB1 ARG 21 63.838 17.711 -8.547 151 HG2 ARG 21 HG2 ARG 21 65.210 18.011 -6.537 152 HG3 ARG 21 HG1 ARG 21 65.549 19.674 -7.009 153 HD2 ARG 21 HD2 ARG 21 63.749 19.689 -5.383 154 HD3 ARG 21 HD1 ARG 21 63.096 20.138 -6.955 155 HE ARG 21 HE ARG 21 61.903 18.122 -7.002 156 HH11 ARG 21 HH21 ARG 21 64.175 18.229 -4.396 157 HH12 ARG 21 HH22 ARG 21 63.542 16.826 -3.602 158 HH21 ARG 21 HH11 ARG 21 61.065 16.278 -5.962 159 HH22 ARG 21 HH12 ARG 21 61.783 15.724 -4.487 160 H ALA 22 HN ALA 22 67.806 16.732 -9.992 161 HA ALA 22 HA ALA 22 67.684 14.748 -7.874 162 HB1 ALA 22 HB1 ALA 22 67.069 14.056 -10.745 163 HB2 ALA 22 HB2 ALA 22 66.074 13.747 -9.322 164 HB3 ALA 22 HB3 ALA 22 67.583 12.863 -9.550 165 H GLU 23 HN GLU 23 69.500 13.315 -7.889 166 HA GLU 23 HA GLU 23 71.711 14.015 -9.708 167 HB2 GLU 23 HB2 GLU 23 71.789 14.179 -6.692 168 HB3 GLU 23 HB1 GLU 23 73.230 14.135 -7.704 169 HG2 GLU 23 HG2 GLU 23 72.501 16.174 -8.866 170 HG3 GLU 23 HG1 GLU 23 71.024 16.206 -7.906 171 H GLY 24 HN GLY 24 73.653 12.536 -9.177 172 HA2 GLY 24 HA2 GLY 24 72.904 9.865 -9.603 173 HA3 GLY 24 HA1 GLY 24 74.512 10.403 -9.125 174 H LEU 25 HN LEU 25 73.827 11.576 -6.646 175 HA LEU 25 HA LEU 25 73.914 9.308 -4.953 176 HB2 LEU 25 HB2 LEU 25 73.591 12.265 -4.502 177 HB3 LEU 25 HB1 LEU 25 73.446 11.144 -3.151 178 HG LEU 25 HG LEU 25 75.774 12.075 -3.504 179 HD11 LEU 25 HD11 LEU 25 76.779 10.127 -2.775 180 HD12 LEU 25 HD12 LEU 25 76.000 9.119 -3.991 181 HD13 LEU 25 HD13 LEU 25 75.098 9.646 -2.570 182 HD21 LEU 25 HD21 LEU 25 75.831 10.250 -5.920 183 HD22 LEU 25 HD22 LEU 25 77.052 11.419 -5.416 184 HD23 LEU 25 HD23 LEU 25 75.504 11.979 -6.050 185 H GLU 26 HN GLU 26 71.315 11.518 -5.867 186 HA GLU 26 HA GLU 26 69.375 10.582 -4.054 187 HB2 GLU 26 HB2 GLU 26 69.174 12.671 -5.381 188 HB3 GLU 26 HB1 GLU 26 68.930 11.697 -6.832 189 HG2 GLU 26 HG2 GLU 26 66.934 10.680 -5.850 190 HG3 GLU 26 HG1 GLU 26 67.192 11.572 -4.352 191 H CYS 27 HN CYS 27 70.431 9.404 -7.201 192 HA CYS 27 HA CYS 27 68.466 7.728 -8.039 193 HB2 CYS 27 HB2 CYS 27 70.723 7.955 -9.084 194 HB3 CYS 27 HB1 CYS 27 71.371 6.909 -7.821 195 H THR 28 HN THR 28 71.093 6.297 -6.117 196 HA THR 28 HA THR 28 69.176 5.071 -4.282 197 HB THR 28 HB THR 28 71.068 3.331 -5.855 198 HG1 THR 28 HG1 THR 28 69.494 2.965 -7.240 199 HG21 THR 28 HG21 THR 28 70.478 2.365 -3.744 200 HG22 THR 28 HG22 THR 28 69.490 1.563 -4.963 201 HG23 THR 28 HG23 THR 28 68.783 2.813 -3.943 202 H LYS 29 HN LYS 29 70.256 3.962 -2.482 203 HA LYS 29 HA LYS 29 73.107 4.514 -2.140 204 HB2 LYS 29 HB2 LYS 29 70.913 5.895 -0.635 205 HB3 LYS 29 HB1 LYS 29 72.360 5.433 0.258 206 HG2 LYS 29 HG2 LYS 29 73.760 6.714 -1.263 207 HG3 LYS 29 HG1 LYS 29 72.372 7.069 -2.295 208 HD2 LYS 29 HD2 LYS 29 72.882 8.979 -0.813 209 HD3 LYS 29 HD1 LYS 29 71.299 8.299 -0.448 210 HE2 LYS 29 HE2 LYS 29 72.031 7.325 1.555 211 HE3 LYS 29 HE1 LYS 29 73.723 7.322 1.061 212 HZ1 LYS 29 HZ1 LYS 29 72.473 9.200 2.608 213 HZ2 LYS 29 HZ2 LYS 29 72.631 9.952 1.092 214 HZ3 LYS 29 HZ3 LYS 29 74.002 9.343 1.889 215 H THR 30 HN THR 30 73.392 2.297 -2.085 216 HA THR 30 HA THR 30 72.434 0.998 0.410 217 HB THR 30 HB THR 30 72.299 -1.126 -0.880 218 HG1 THR 30 HG1 THR 30 73.395 0.398 -2.731 219 HG21 THR 30 HG21 THR 30 70.320 0.136 -2.399 220 HG22 THR 30 HG22 THR 30 70.479 1.134 -0.960 221 HG23 THR 30 HG23 THR 30 70.111 -0.586 -0.808 222 H CYS 31 HN CYS 31 73.880 -0.567 1.294 223 HA CYS 31 HA CYS 31 76.490 0.147 1.290 224 HB2 CYS 31 HB2 CYS 31 75.285 -2.562 1.843 225 HB3 CYS 31 HB1 CYS 31 76.916 -2.087 2.306 226 H GLN 32 HN GLN 32 74.958 -1.174 -1.312 227 HA GLN 32 HA GLN 32 77.349 -2.556 -2.345 228 HB2 GLN 32 HB2 GLN 32 75.723 -3.348 -4.132 229 HB3 GLN 32 HB1 GLN 32 75.425 -3.949 -2.501 230 HG2 GLN 32 HG2 GLN 32 73.788 -2.069 -2.194 231 HG3 GLN 32 HG1 GLN 32 73.959 -1.680 -3.897 232 HE21 GLN 32 HE21 GLN 32 71.640 -2.825 -2.234 233 HE22 GLN 32 HE22 GLN 32 71.156 -4.190 -3.117 234 H ASN 33 HN ASN 33 74.817 -0.278 -3.497 235 HA ASN 33 HA ASN 33 76.567 0.586 -5.652 236 HB2 ASN 33 HB2 ASN 33 74.545 1.817 -6.404 237 HB3 ASN 33 HB1 ASN 33 74.278 0.083 -6.224 238 HD21 ASN 33 HD21 ASN 33 72.042 0.170 -5.697 239 HD22 ASN 33 HD22 ASN 33 71.462 0.895 -4.278 240 H TYR 34 HN TYR 34 76.001 1.515 -2.475 241 HA TYR 34 HA TYR 34 75.776 4.226 -2.421 242 HB2 TYR 34 HB2 TYR 34 76.048 2.877 -0.398 243 HB3 TYR 34 HB1 TYR 34 77.727 2.539 -0.822 244 HD1 TYR 34 HD1 TYR 34 75.337 5.083 0.326 245 HD2 TYR 34 HD2 TYR 34 79.438 4.267 -0.649 246 HE1 TYR 34 HE1 TYR 34 76.016 7.198 1.424 247 HE2 TYR 34 HE2 TYR 34 80.117 6.383 0.448 248 HH TYR 34 HH TYR 34 77.786 8.740 1.500 249 H ASP 35 HN ASP 35 78.798 2.388 -3.026 250 HA ASP 35 HA ASP 35 80.139 4.883 -3.864 251 HB2 ASP 35 HB2 ASP 35 82.194 3.459 -3.786 252 HB3 ASP 35 HB1 ASP 35 81.372 3.616 -2.235 253 H LEU 36 HN LEU 36 78.350 2.487 -5.227 254 HA LEU 36 HA LEU 36 79.881 2.534 -7.763 255 HB2 LEU 36 HB2 LEU 36 77.875 0.389 -7.264 256 HB3 LEU 36 HB1 LEU 36 79.307 0.363 -8.257 257 HG LEU 36 HG LEU 36 79.394 0.488 -5.229 258 HD11 LEU 36 HD11 LEU 36 78.400 -1.645 -6.285 259 HD12 LEU 36 HD12 LEU 36 79.765 -1.842 -5.186 260 HD13 LEU 36 HD13 LEU 36 80.016 -1.924 -6.928 261 HD21 LEU 36 HD21 LEU 36 81.505 -0.105 -7.332 262 HD22 LEU 36 HD22 LEU 36 81.765 -0.099 -5.588 263 HD23 LEU 36 HD23 LEU 36 81.374 1.397 -6.425 264 H GLU 37 HN GLU 37 78.318 2.052 -9.676 265 HA GLU 37 HA GLU 37 76.367 4.167 -9.665 266 HB2 GLU 37 HB2 GLU 37 76.033 3.552 -12.028 267 HB3 GLU 37 HB1 GLU 37 77.749 3.721 -11.656 268 HG2 GLU 37 HG2 GLU 37 77.870 1.247 -11.306 269 HG3 GLU 37 HG1 GLU 37 76.191 1.126 -11.825 270 H CYS 38 HN CYS 38 74.162 4.013 -9.767 271 HA CYS 38 HA CYS 38 72.997 1.580 -8.699 272 HB2 CYS 38 HB2 CYS 38 70.902 2.926 -8.673 273 HB3 CYS 38 HB1 CYS 38 72.233 3.723 -7.835 274 H MET 39 HN MET 39 70.964 0.726 -9.661 275 HA MET 39 HA MET 39 71.383 -0.178 -12.291 276 HB2 MET 39 HB2 MET 39 68.887 -0.118 -10.580 277 HB3 MET 39 HB1 MET 39 68.994 -0.953 -12.130 278 HG2 MET 39 HG2 MET 39 70.827 -2.345 -11.288 279 HG3 MET 39 HG1 MET 39 70.806 -1.472 -9.756 280 HE1 MET 39 HE1 MET 39 67.858 -4.468 -11.467 281 HE2 MET 39 HE2 MET 39 69.056 -3.479 -12.294 282 HE3 MET 39 HE3 MET 39 67.488 -2.791 -11.884 283 H SER 40 HN SER 40 69.808 0.134 -14.106 284 HA SER 40 HA SER 40 69.690 2.888 -14.822 285 HB2 SER 40 HB2 SER 40 68.214 0.613 -16.153 286 HB3 SER 40 HB1 SER 40 68.714 2.139 -16.876 287 HG SER 40 HG SER 40 70.758 1.465 -16.920 288 H MET 41 HN MET 41 68.428 3.210 -12.622 289 HA MET 41 HA MET 41 65.662 2.644 -12.515 290 HB2 MET 41 HB2 MET 41 67.256 4.872 -11.224 291 HB3 MET 41 HB1 MET 41 65.607 4.429 -10.788 292 HG2 MET 41 HG2 MET 41 67.993 2.559 -10.663 293 HG3 MET 41 HG1 MET 41 67.299 3.394 -9.276 294 HE1 MET 41 HE1 MET 41 65.371 2.876 -8.069 295 HE2 MET 41 HE2 MET 41 64.083 1.742 -8.462 296 HE3 MET 41 HE3 MET 41 64.225 3.245 -9.363 297 H GLY 42 HN GLY 42 67.479 5.429 -13.735 298 HA2 GLY 42 HA2 GLY 42 66.874 6.971 -15.355 299 HA3 GLY 42 HA1 GLY 42 65.351 6.110 -15.549 300 H CYS 43 HN CYS 43 66.267 7.040 -12.359 301 HA CYS 43 HA CYS 43 65.433 8.588 -10.889 302 HB2 CYS 43 HB2 CYS 43 66.227 10.158 -12.784 303 HB3 CYS 43 HB1 CYS 43 64.519 10.269 -13.218 304 H VAL 44 HN VAL 44 63.770 7.381 -10.040 305 HA VAL 44 HA VAL 44 61.069 8.003 -11.079 306 HB VAL 44 HB VAL 44 60.386 5.671 -10.603 307 HG11 VAL 44 HG11 VAL 44 61.194 6.489 -12.876 308 HG12 VAL 44 HG12 VAL 44 61.301 4.748 -12.620 309 HG13 VAL 44 HG13 VAL 44 62.748 5.747 -12.497 310 HG21 VAL 44 HG21 VAL 44 62.161 5.151 -8.956 311 HG22 VAL 44 HG22 VAL 44 63.370 5.241 -10.237 312 HG23 VAL 44 HG23 VAL 44 62.147 3.971 -10.266 313 H SER 45 HN SER 45 59.393 7.824 -9.497 314 HA SER 45 HA SER 45 60.067 8.941 -7.007 315 HB2 SER 45 HB2 SER 45 57.855 9.234 -8.006 316 HB3 SER 45 HB1 SER 45 57.536 7.511 -7.833 317 HG SER 45 HG SER 45 56.676 8.375 -6.038 318 H GLY 46 HN GLY 46 60.602 8.071 -5.091 319 HA2 GLY 46 HA2 GLY 46 59.852 5.476 -4.223 320 HA3 GLY 46 HA1 GLY 46 61.502 5.453 -4.832 321 H CYS 47 HN CYS 47 61.290 4.816 -2.329 322 HA CYS 47 HA CYS 47 62.014 7.217 -0.744 323 HB2 CYS 47 HB2 CYS 47 61.445 5.772 1.256 324 HB3 CYS 47 HB1 CYS 47 60.085 6.299 0.266 325 H LEU 48 HN LEU 48 63.821 7.181 0.555 326 HA LEU 48 HA LEU 48 65.570 4.790 0.397 327 HB2 LEU 48 HB2 LEU 48 66.421 7.636 -0.200 328 HB3 LEU 48 HB1 LEU 48 67.521 6.269 -0.019 329 HG LEU 48 HG LEU 48 65.268 6.417 -2.040 330 HD11 LEU 48 HD11 LEU 48 68.258 6.667 -2.544 331 HD12 LEU 48 HD12 LEU 48 67.188 8.058 -2.381 332 HD13 LEU 48 HD13 LEU 48 66.955 6.914 -3.705 333 HD21 LEU 48 HD21 LEU 48 65.699 4.114 -1.822 334 HD22 LEU 48 HD22 LEU 48 67.373 4.358 -1.352 335 HD23 LEU 48 HD23 LEU 48 66.896 4.524 -3.039 336 H CYS 49 HN CYS 49 67.694 5.569 1.776 337 HA CYS 49 HA CYS 49 66.591 6.079 4.448 338 HB2 CYS 49 HB2 CYS 49 69.258 4.999 3.505 339 HB3 CYS 49 HB1 CYS 49 68.857 5.262 5.197 340 HA PRO 50 HA PRO 50 67.915 10.242 5.071 341 HB2 PRO 50 HB2 PRO 50 69.826 9.094 7.080 342 HB3 PRO 50 HB1 PRO 50 68.730 10.466 7.258 343 HG2 PRO 50 HG2 PRO 50 68.185 7.995 8.241 344 HG3 PRO 50 HG1 PRO 50 66.939 9.161 7.766 345 HD2 PRO 50 HD2 PRO 50 67.607 6.620 6.500 346 HD3 PRO 50 HD1 PRO 50 66.253 7.705 6.140 347 HA PRO 51 HA PRO 51 71.524 10.877 2.585 348 HB2 PRO 51 HB2 PRO 51 72.663 13.107 3.826 349 HB3 PRO 51 HB1 PRO 51 71.302 13.166 2.689 350 HG2 PRO 51 HG2 PRO 51 71.269 13.187 5.678 351 HG3 PRO 51 HG1 PRO 51 70.301 14.137 4.534 352 HD2 PRO 51 HD2 PRO 51 69.254 12.018 5.767 353 HD3 PRO 51 HD1 PRO 51 68.849 12.356 4.077 354 H GLY 52 HN GLY 52 71.926 10.618 6.053 355 HA2 GLY 52 HA2 GLY 52 74.792 9.971 5.801 356 HA3 GLY 52 HA1 GLY 52 73.912 10.242 7.301 357 H MET 53 HN MET 53 71.930 8.416 5.508 358 HA MET 53 HA MET 53 73.031 5.820 6.498 359 HB2 MET 53 HB2 MET 53 70.152 6.708 6.506 360 HB3 MET 53 HB1 MET 53 70.743 5.111 6.968 361 HG2 MET 53 HG2 MET 53 72.298 6.433 8.616 362 HG3 MET 53 HG1 MET 53 71.151 7.741 8.369 363 HE1 MET 53 HE1 MET 53 70.694 3.839 10.619 364 HE2 MET 53 HE2 MET 53 72.142 4.761 10.225 365 HE3 MET 53 HE3 MET 53 71.298 3.874 8.958 366 H VAL 54 HN VAL 54 72.140 3.926 5.423 367 HA VAL 54 HA VAL 54 71.384 4.415 2.597 368 HB VAL 54 HB VAL 54 73.063 2.870 1.802 369 HG11 VAL 54 HG11 VAL 54 73.784 5.180 2.098 370 HG12 VAL 54 HG12 VAL 54 75.116 4.092 2.462 371 HG13 VAL 54 HG13 VAL 54 74.217 4.847 3.765 372 HG21 VAL 54 HG21 VAL 54 73.142 1.260 3.608 373 HG22 VAL 54 HG22 VAL 54 73.730 2.485 4.728 374 HG23 VAL 54 HG23 VAL 54 74.755 1.937 3.409 375 H ARG 55 HN ARG 55 70.208 2.751 1.635 376 HA ARG 55 HA ARG 55 68.700 1.130 3.478 377 HB2 ARG 55 HB2 ARG 55 67.673 2.172 1.479 378 HB3 ARG 55 HB1 ARG 55 68.676 1.157 0.453 379 HG2 ARG 55 HG2 ARG 55 67.656 -0.864 1.435 380 HG3 ARG 55 HG1 ARG 55 66.642 0.154 2.460 381 HD2 ARG 55 HD2 ARG 55 65.712 1.212 0.393 382 HD3 ARG 55 HD1 ARG 55 66.637 0.061 -0.570 383 HE ARG 55 HE ARG 55 64.249 -0.504 1.005 384 HH11 ARG 55 HH21 ARG 55 67.040 -1.703 -0.654 385 HH12 ARG 55 HH22 ARG 55 66.393 -3.293 -0.880 386 HH21 ARG 55 HH11 ARG 55 63.396 -2.588 0.715 387 HH22 ARG 55 HH12 ARG 55 64.331 -3.794 -0.104 388 H HIS 56 HN HIS 56 69.204 -0.807 4.161 389 HA HIS 56 HA HIS 56 70.717 -2.656 2.444 390 HB2 HIS 56 HB2 HIS 56 72.524 -1.913 3.720 391 HB3 HIS 56 HB1 HIS 56 71.528 -1.610 5.141 392 HD2 HIS 56 HD2 HIS 56 72.066 -3.497 7.031 393 HE1 HIS 56 HE1 HIS 56 72.736 -6.787 4.503 394 HE2 HIS 56 HE2 HIS 56 72.604 -6.042 6.916 395 H GLU 57 HN GLU 57 69.799 -4.587 2.411 396 HA GLU 57 HA GLU 57 68.245 -6.253 2.833 397 HB2 GLU 57 HB2 GLU 57 70.078 -6.502 4.637 398 HB3 GLU 57 HB1 GLU 57 68.896 -5.816 5.745 399 HG2 GLU 57 HG2 GLU 57 67.315 -7.617 5.204 400 HG3 GLU 57 HG1 GLU 57 68.448 -8.275 4.028 401 H ASN 58 HN ASN 58 67.172 -3.576 2.717 402 HA ASN 58 HA ASN 58 65.069 -2.661 2.940 403 HB2 ASN 58 HB2 ASN 58 64.278 -4.787 4.919 404 HB3 ASN 58 HB1 ASN 58 63.288 -3.941 3.736 405 HD21 ASN 58 HD21 ASN 58 64.531 -6.940 4.271 406 HD22 ASN 58 HD22 ASN 58 64.760 -7.452 2.669 407 H ARG 59 HN ARG 59 67.418 -2.672 5.119 408 HA ARG 59 HA ARG 59 65.916 -1.022 7.067 409 HB2 ARG 59 HB2 ARG 59 66.954 -2.053 8.859 410 HB3 ARG 59 HB1 ARG 59 66.896 -3.414 7.747 411 HG2 ARG 59 HG2 ARG 59 69.308 -2.382 7.023 412 HG3 ARG 59 HG1 ARG 59 69.251 -1.801 8.674 413 HD2 ARG 59 HD2 ARG 59 68.906 -4.676 7.793 414 HD3 ARG 59 HD1 ARG 59 70.359 -3.991 8.519 415 HE ARG 59 HE ARG 59 68.264 -3.423 10.262 416 HH11 ARG 59 HH21 ARG 59 69.821 -6.147 8.846 417 HH12 ARG 59 HH22 ARG 59 69.527 -7.197 10.192 418 HH21 ARG 59 HH11 ARG 59 67.863 -4.770 12.037 419 HH22 ARG 59 HH12 ARG 59 68.412 -6.412 12.009 420 H CYS 60 HN CYS 60 67.081 0.778 7.921 421 HA CYS 60 HA CYS 60 69.176 1.741 6.099 422 HB2 CYS 60 HB2 CYS 60 67.704 3.212 8.283 423 HB3 CYS 60 HB1 CYS 60 68.813 3.918 7.120 424 H VAL 61 HN VAL 61 71.217 1.742 6.638 425 HA VAL 61 HA VAL 61 72.005 1.709 9.497 426 HB VAL 61 HB VAL 61 73.632 -0.003 9.176 427 HG11 VAL 61 HG11 VAL 61 71.166 -0.657 9.391 428 HG12 VAL 61 HG12 VAL 61 72.227 -1.894 8.721 429 HG13 VAL 61 HG13 VAL 61 71.188 -0.952 7.651 430 HG21 VAL 61 HG21 VAL 61 72.929 0.319 6.248 431 HG22 VAL 61 HG22 VAL 61 73.759 -1.116 6.851 432 HG23 VAL 61 HG23 VAL 61 74.513 0.469 7.012 433 H ALA 62 HN ALA 62 74.128 2.441 9.917 434 HA ALA 62 HA ALA 62 74.923 4.662 8.236 435 HB1 ALA 62 HB1 ALA 62 76.484 3.514 10.522 436 HB2 ALA 62 HB2 ALA 62 75.062 4.515 10.791 437 HB3 ALA 62 HB3 ALA 62 76.458 5.170 9.932 438 H LEU 63 HN LEU 63 76.737 4.925 7.074 439 HA LEU 63 HA LEU 63 77.580 2.887 5.465 440 HB2 LEU 63 HB2 LEU 63 78.913 5.442 6.320 441 HB3 LEU 63 HB1 LEU 63 79.787 4.334 5.271 442 HG LEU 63 HG LEU 63 78.528 6.092 4.029 443 HD11 LEU 63 HD11 LEU 63 77.150 3.518 3.335 444 HD12 LEU 63 HD12 LEU 63 78.904 3.561 3.262 445 HD13 LEU 63 HD13 LEU 63 77.961 4.675 2.296 446 HD21 LEU 63 HD21 LEU 63 76.123 6.111 4.048 447 HD22 LEU 63 HD22 LEU 63 76.659 6.148 5.726 448 HD23 LEU 63 HD23 LEU 63 76.067 4.643 5.026 449 H GLU 64 HN GLU 64 79.285 4.001 8.397 450 HA GLU 64 HA GLU 64 81.370 2.152 8.249 451 HB2 GLU 64 HB2 GLU 64 81.831 2.722 10.520 452 HB3 GLU 64 HB1 GLU 64 81.200 4.177 9.748 453 HG2 GLU 64 HG2 GLU 64 78.897 3.450 10.595 454 HG3 GLU 64 HG1 GLU 64 79.759 2.285 11.601 455 H ARG 65 HN ARG 65 78.043 1.598 8.896 456 HA ARG 65 HA ARG 65 78.607 -0.906 10.352 457 HB2 ARG 65 HB2 ARG 65 76.008 0.535 9.716 458 HB3 ARG 65 HB1 ARG 65 76.152 -0.916 10.704 459 HG2 ARG 65 HG2 ARG 65 77.469 0.247 12.349 460 HG3 ARG 65 HG1 ARG 65 77.570 1.669 11.322 461 HD2 ARG 65 HD2 ARG 65 75.869 2.085 12.959 462 HD3 ARG 65 HD1 ARG 65 75.082 1.842 11.403 463 HE ARG 65 HE ARG 65 75.264 -0.624 12.820 464 HH11 ARG 65 HH21 ARG 65 73.599 2.416 12.743 465 HH12 ARG 65 HH22 ARG 65 72.148 1.793 13.456 466 HH21 ARG 65 HH11 ARG 65 73.363 -1.440 13.756 467 HH22 ARG 65 HH12 ARG 65 72.015 -0.386 14.028 468 H CYS 66 HN CYS 66 78.213 0.173 7.212 469 HA CYS 66 HA CYS 66 76.525 -1.682 6.054 470 HB2 CYS 66 HB2 CYS 66 78.907 -0.177 5.067 471 HB3 CYS 66 HB1 CYS 66 78.294 -1.479 4.059 472 HA PRO 67 HA PRO 67 78.757 -5.512 6.728 473 HB2 PRO 67 HB2 PRO 67 77.426 -7.140 4.992 474 HB3 PRO 67 HB1 PRO 67 76.692 -6.555 6.500 475 HG2 PRO 67 HG2 PRO 67 76.349 -5.533 3.711 476 HG3 PRO 67 HG1 PRO 67 75.130 -5.799 4.971 477 HD2 PRO 67 HD2 PRO 67 76.170 -3.329 4.425 478 HD3 PRO 67 HD1 PRO 67 75.598 -3.796 6.041 479 H CYS 68 HN CYS 68 80.178 -7.017 5.648 480 HA CYS 68 HA CYS 68 81.358 -5.885 3.148 481 HB2 CYS 68 HB2 CYS 68 83.243 -7.635 4.052 482 HB3 CYS 68 HB1 CYS 68 83.188 -5.936 4.515 483 H PHE 69 HN PHE 69 82.371 -7.530 1.718 484 HA PHE 69 HA PHE 69 80.890 -10.087 1.642 485 HB2 PHE 69 HB2 PHE 69 81.285 -8.256 -0.737 486 HB3 PHE 69 HB1 PHE 69 80.447 -9.806 -0.740 487 HD1 PHE 69 HD1 PHE 69 80.287 -6.276 0.297 488 HD2 PHE 69 HD2 PHE 69 78.229 -10.049 0.281 489 HE1 PHE 69 HE1 PHE 69 78.179 -5.130 0.940 490 HE2 PHE 69 HE2 PHE 69 76.120 -8.899 0.926 491 HZ PHE 69 HZ PHE 69 76.099 -6.436 1.245 492 H HIS 70 HN HIS 70 82.127 -11.771 1.272 493 HA HIS 70 HA HIS 70 84.632 -11.455 -0.238 494 HB2 HIS 70 HB2 HIS 70 84.973 -11.258 2.332 495 HB3 HIS 70 HB1 HIS 70 84.648 -12.987 2.362 496 HD2 HIS 70 HD2 HIS 70 86.782 -14.578 1.580 497 HE1 HIS 70 HE1 HIS 70 89.269 -11.471 0.179 498 HE2 HIS 70 HE2 HIS 70 89.144 -13.962 0.652 499 H GLN 71 HN GLN 71 84.718 -12.996 -1.742 500 HA GLN 71 HA GLN 71 84.363 -14.962 -2.864 501 HB2 GLN 71 HB2 GLN 71 84.317 -16.008 -0.026 502 HB3 GLN 71 HB1 GLN 71 84.314 -17.037 -1.454 503 HG2 GLN 71 HG2 GLN 71 86.430 -16.078 -2.194 504 HG3 GLN 71 HG1 GLN 71 86.417 -14.945 -0.842 505 HE21 GLN 71 HE21 GLN 71 88.294 -17.293 -1.566 506 HE22 GLN 71 HE22 GLN 71 88.356 -18.211 -0.140 507 H GLY 72 HN GLY 72 82.073 -13.364 -2.599 508 HA2 GLY 72 HA2 GLY 72 79.856 -13.556 -3.125 509 HA3 GLY 72 HA1 GLY 72 80.052 -15.301 -3.111 510 H LYS 73 HN LYS 73 81.230 -14.404 -0.223 511 HA LYS 73 HA LYS 73 78.632 -14.862 1.124 512 HB2 LYS 73 HB2 LYS 73 81.507 -15.466 1.783 513 HB3 LYS 73 HB1 LYS 73 80.397 -15.186 3.125 514 HG2 LYS 73 HG2 LYS 73 80.444 -17.560 2.652 515 HG3 LYS 73 HG1 LYS 73 78.877 -16.932 2.145 516 HD2 LYS 73 HD2 LYS 73 79.625 -16.815 -0.168 517 HD3 LYS 73 HD1 LYS 73 81.248 -17.322 0.301 518 HE2 LYS 73 HE2 LYS 73 80.353 -19.469 1.102 519 HE3 LYS 73 HE1 LYS 73 78.723 -18.959 0.662 520 HZ1 LYS 73 HZ1 LYS 73 79.172 -19.116 -1.561 521 HZ2 LYS 73 HZ2 LYS 73 80.136 -20.382 -0.967 522 HZ3 LYS 73 HZ3 LYS 73 80.842 -18.889 -1.370 523 H GLU 74 HN GLU 74 77.838 -13.491 2.638 524 HA GLU 74 HA GLU 74 79.008 -10.811 2.683 525 HB2 GLU 74 HB2 GLU 74 76.618 -11.061 2.099 526 HB3 GLU 74 HB1 GLU 74 76.331 -11.795 3.677 527 HG2 GLU 74 HG2 GLU 74 77.056 -9.756 4.804 528 HG3 GLU 74 HG1 GLU 74 77.467 -9.018 3.259 529 H TYR 75 HN TYR 75 80.015 -10.026 4.407 530 HA TYR 75 HA TYR 75 79.804 -11.478 6.989 531 HB2 TYR 75 HB2 TYR 75 82.166 -9.954 5.885 532 HB3 TYR 75 HB1 TYR 75 82.106 -10.803 7.427 533 HD1 TYR 75 HD1 TYR 75 81.746 -11.265 3.755 534 HD2 TYR 75 HD2 TYR 75 82.586 -13.119 7.531 535 HE1 TYR 75 HE1 TYR 75 82.379 -13.346 2.595 536 HE2 TYR 75 HE2 TYR 75 83.224 -15.203 6.360 537 HH TYR 75 HH TYR 75 82.403 -16.024 3.469 538 H ALA 76 HN ALA 76 80.659 -9.939 8.796 539 HA ALA 76 HA ALA 76 79.224 -7.354 8.512 540 HB1 ALA 76 HB1 ALA 76 79.500 -7.998 11.252 541 HB2 ALA 76 HB2 ALA 76 79.101 -9.515 10.449 542 HB3 ALA 76 HB3 ALA 76 78.035 -8.124 10.276 543 HA PRO 77 HA PRO 77 82.781 -4.993 9.564 544 HB2 PRO 77 HB2 PRO 77 81.871 -3.416 11.671 545 HB3 PRO 77 HB1 PRO 77 81.552 -3.096 9.956 546 HG2 PRO 77 HG2 PRO 77 79.810 -4.437 11.978 547 HG3 PRO 77 HG1 PRO 77 79.378 -3.270 10.713 548 HD2 PRO 77 HD2 PRO 77 78.890 -5.886 10.386 549 HD3 PRO 77 HD1 PRO 77 79.421 -4.882 9.019 550 H GLY 78 HN GLY 78 84.617 -5.436 10.720 551 HA2 GLY 78 HA2 GLY 78 85.952 -5.919 12.588 552 HA3 GLY 78 HA1 GLY 78 84.492 -6.190 13.537 553 H GLU 79 HN GLU 79 83.945 -7.875 10.819 554 HA GLU 79 HA GLU 79 84.591 -10.403 12.082 555 HB2 GLU 79 HB2 GLU 79 82.482 -9.901 10.694 556 HB3 GLU 79 HB1 GLU 79 83.520 -10.037 9.278 557 HG2 GLU 79 HG2 GLU 79 83.450 -12.213 11.378 558 HG3 GLU 79 HG1 GLU 79 82.276 -12.161 10.073 559 H THR 80 HN THR 80 86.166 -11.801 11.511 560 HA THR 80 HA THR 80 88.177 -10.870 9.543 561 HB THR 80 HB THR 80 89.696 -11.283 11.132 562 HG1 THR 80 HG1 THR 80 88.644 -13.764 11.847 563 HG21 THR 80 HG21 THR 80 87.398 -12.241 12.853 564 HG22 THR 80 HG22 THR 80 87.900 -10.560 12.688 565 HG23 THR 80 HG23 THR 80 88.981 -11.733 13.438 566 H VAL 81 HN VAL 81 89.287 -12.329 8.282 567 HA VAL 81 HA VAL 81 88.186 -15.037 8.047 568 HB VAL 81 HB VAL 81 87.828 -14.824 5.625 569 HG11 VAL 81 HG11 VAL 81 85.735 -13.702 5.777 570 HG12 VAL 81 HG12 VAL 81 86.322 -12.633 7.046 571 HG13 VAL 81 HG13 VAL 81 86.037 -14.338 7.394 572 HG21 VAL 81 HG21 VAL 81 89.339 -13.016 5.061 573 HG22 VAL 81 HG22 VAL 81 88.508 -11.913 6.159 574 HG23 VAL 81 HG23 VAL 81 87.703 -12.470 4.691 575 H LYS 82 HN LYS 82 89.619 -16.514 6.980 576 HA LYS 82 HA LYS 82 92.364 -15.498 6.906 577 HB2 LYS 82 HB2 LYS 82 91.507 -17.571 8.287 578 HB3 LYS 82 HB1 LYS 82 91.561 -18.404 6.738 579 HG2 LYS 82 HG2 LYS 82 93.713 -18.823 7.539 580 HG3 LYS 82 HG1 LYS 82 93.988 -17.367 6.580 581 HD2 LYS 82 HD2 LYS 82 93.834 -15.975 8.593 582 HD3 LYS 82 HD1 LYS 82 93.448 -17.392 9.566 583 HE2 LYS 82 HE2 LYS 82 95.802 -16.874 9.834 584 HE3 LYS 82 HE1 LYS 82 95.650 -18.375 8.921 585 HZ1 LYS 82 HZ1 LYS 82 96.005 -15.693 7.700 586 HZ2 LYS 82 HZ2 LYS 82 96.000 -17.186 6.888 587 HZ3 LYS 82 HZ3 LYS 82 97.263 -16.802 7.958 588 H ILE 83 HN ILE 83 93.473 -15.395 5.051 589 HA ILE 83 HA ILE 83 92.418 -16.793 2.655 590 HB ILE 83 HB ILE 83 93.351 -13.906 2.671 591 HG12 ILE 83 HG12 ILE 83 90.537 -15.021 2.406 592 HG13 ILE 83 HG11 ILE 83 91.168 -14.264 3.864 593 HG21 ILE 83 HG21 ILE 83 92.003 -15.621 0.560 594 HG22 ILE 83 HG22 ILE 83 93.702 -15.147 0.555 595 HG23 ILE 83 HG23 ILE 83 92.444 -13.923 0.378 596 HD11 ILE 83 HD11 ILE 83 91.675 -12.212 2.470 597 HD12 ILE 83 HD12 ILE 83 89.959 -12.567 2.673 598 HD13 ILE 83 HD13 ILE 83 90.770 -12.971 1.160 599 H GLY 84 HN GLY 84 94.054 -18.277 2.503 600 HA2 GLY 84 HA2 GLY 84 96.211 -19.121 2.315 601 HA3 GLY 84 HA1 GLY 84 96.363 -17.808 1.151 602 H CYS 85 HN CYS 85 96.715 -18.598 4.598 603 HA CYS 85 HA CYS 85 98.136 -17.821 6.205 604 HB2 CYS 85 HB2 CYS 85 100.111 -18.266 5.106 605 HB3 CYS 85 HB1 CYS 85 99.662 -17.332 3.692 606 H ASN 86 HN ASN 86 97.040 -15.566 3.809 607 HA ASN 86 HA ASN 86 97.502 -13.265 5.522 608 HB2 ASN 86 HB2 ASN 86 97.759 -13.358 2.939 609 HB3 ASN 86 HB1 ASN 86 96.003 -13.209 2.910 610 HD21 ASN 86 HD21 ASN 86 97.491 -11.111 1.828 611 HD22 ASN 86 HD22 ASN 86 97.417 -9.764 2.856 612 H THR 87 HN THR 87 96.032 -12.428 6.827 613 HA THR 87 HA THR 87 93.212 -13.388 6.643 614 HB THR 87 HB THR 87 94.830 -13.751 8.723 615 HG1 THR 87 HG1 THR 87 93.036 -14.468 9.499 616 HG21 THR 87 HG21 THR 87 95.048 -11.220 8.974 617 HG22 THR 87 HG22 THR 87 94.595 -12.114 10.425 618 HG23 THR 87 HG23 THR 87 93.366 -11.244 9.507 619 H CYS 88 HN CYS 88 91.569 -11.976 6.851 620 HA CYS 88 HA CYS 88 92.293 -9.106 6.844 621 HB2 CYS 88 HB2 CYS 88 91.521 -10.558 4.532 622 HB3 CYS 88 HB1 CYS 88 90.124 -9.589 4.956 623 H VAL 89 HN VAL 89 90.673 -7.652 7.393 624 HA VAL 89 HA VAL 89 88.295 -8.828 8.660 625 HB VAL 89 HB VAL 89 90.344 -8.258 10.251 626 HG11 VAL 89 HG11 VAL 89 88.922 -5.603 10.245 627 HG12 VAL 89 HG12 VAL 89 90.350 -5.881 9.258 628 HG13 VAL 89 HG13 VAL 89 90.451 -6.027 11.013 629 HG21 VAL 89 HG21 VAL 89 87.522 -7.364 10.878 630 HG22 VAL 89 HG22 VAL 89 88.765 -7.795 12.055 631 HG23 VAL 89 HG23 VAL 89 88.109 -9.021 10.975 632 H CYS 90 HN CYS 90 86.499 -7.562 8.728 633 HA CYS 90 HA CYS 90 86.247 -5.559 6.712 634 HB2 CYS 90 HB2 CYS 90 84.396 -6.390 8.948 635 HB3 CYS 90 HB1 CYS 90 83.945 -5.369 7.579 636 H ARG 91 HN ARG 91 87.171 -3.637 6.977 637 HA ARG 91 HA ARG 91 86.433 -2.046 9.336 638 HB2 ARG 91 HB2 ARG 91 89.202 -2.683 8.367 639 HB3 ARG 91 HB1 ARG 91 88.902 -1.090 9.058 640 HG2 ARG 91 HG2 ARG 91 87.944 -3.538 10.534 641 HG3 ARG 91 HG1 ARG 91 89.649 -3.099 10.619 642 HD2 ARG 91 HD2 ARG 91 89.019 -0.842 11.401 643 HD3 ARG 91 HD1 ARG 91 87.319 -1.292 11.339 644 HE ARG 91 HE ARG 91 89.292 -2.185 13.302 645 HH11 ARG 91 HH21 ARG 91 86.157 -2.533 11.872 646 HH12 ARG 91 HH22 ARG 91 85.473 -3.347 13.239 647 HH21 ARG 91 HH11 ARG 91 88.403 -3.258 15.092 648 HH22 ARG 91 HH12 ARG 91 86.745 -3.759 15.061 649 H ASP 92 HN ASP 92 85.321 -0.417 8.553 650 HA ASP 92 HA ASP 92 84.738 1.415 7.294 651 HB2 ASP 92 HB2 ASP 92 87.306 1.814 7.458 652 HB3 ASP 92 HB1 ASP 92 87.351 1.199 5.810 653 H ARG 93 HN ARG 93 83.662 -0.916 6.555 654 HA ARG 93 HA ARG 93 82.638 -1.995 4.795 655 HB2 ARG 93 HB2 ARG 93 83.303 0.456 3.159 656 HB3 ARG 93 HB1 ARG 93 81.920 -0.626 2.992 657 HG2 ARG 93 HG2 ARG 93 81.206 0.087 5.312 658 HG3 ARG 93 HG1 ARG 93 82.465 1.318 5.246 659 HD2 ARG 93 HD2 ARG 93 80.236 1.034 3.216 660 HD3 ARG 93 HD1 ARG 93 80.243 2.185 4.543 661 HE ARG 93 HE ARG 93 81.685 2.427 2.076 662 HH11 ARG 93 HH21 ARG 93 81.701 3.146 5.460 663 HH12 ARG 93 HH22 ARG 93 82.713 4.542 5.299 664 HH21 ARG 93 HH11 ARG 93 83.010 4.258 1.856 665 HH22 ARG 93 HH12 ARG 93 83.455 5.171 3.259 666 H LYS 94 HN LYS 94 85.789 -1.721 5.017 667 HA LYS 94 HA LYS 94 86.285 -3.119 2.451 668 HB2 LYS 94 HB2 LYS 94 87.929 -0.933 3.733 669 HB3 LYS 94 HB1 LYS 94 88.580 -2.034 2.517 670 HG2 LYS 94 HG2 LYS 94 86.780 -1.350 0.956 671 HG3 LYS 94 HG1 LYS 94 86.180 -0.215 2.166 672 HD2 LYS 94 HD2 LYS 94 88.354 0.956 2.146 673 HD3 LYS 94 HD1 LYS 94 88.946 -0.171 0.924 674 HE2 LYS 94 HE2 LYS 94 86.503 1.575 0.565 675 HE3 LYS 94 HE1 LYS 94 88.109 1.992 -0.026 676 HZ1 LYS 94 HZ1 LYS 94 86.467 -0.349 -0.802 677 HZ2 LYS 94 HZ2 LYS 94 88.092 -0.150 -1.247 678 HZ3 LYS 94 HZ3 LYS 94 86.920 0.954 -1.786 679 H TRP 95 HN TRP 95 88.182 -4.503 2.526 680 HA TRP 95 HA TRP 95 88.386 -5.837 5.138 681 HB2 TRP 95 HB2 TRP 95 89.154 -6.625 2.330 682 HB3 TRP 95 HB1 TRP 95 89.591 -7.568 3.741 683 HD1 TRP 95 HD1 TRP 95 86.735 -6.792 1.474 684 HE1 TRP 95 HE1 TRP 95 84.688 -8.206 2.156 685 HE3 TRP 95 HE3 TRP 95 88.364 -8.595 5.981 686 HZ2 TRP 95 HZ2 TRP 95 83.878 -9.906 4.298 687 HZ3 TRP 95 HZ3 TRP 95 86.949 -10.145 7.295 688 HH2 TRP 95 HH2 TRP 95 84.698 -10.784 6.470 689 H ASN 96 HN ASN 96 90.137 -5.717 6.389 690 HA ASN 96 HA ASN 96 92.540 -4.333 5.315 691 HB2 ASN 96 HB2 ASN 96 91.174 -3.533 7.439 692 HB3 ASN 96 HB1 ASN 96 92.103 -4.784 8.254 693 HD21 ASN 96 HD21 ASN 96 92.392 -1.735 6.452 694 HD22 ASN 96 HD22 ASN 96 93.989 -1.412 6.934 695 H CYS 97 HN CYS 97 93.891 -5.827 4.558 696 HA CYS 97 HA CYS 97 94.174 -8.406 5.868 697 HB2 CYS 97 HB2 CYS 97 95.230 -7.246 3.311 698 HB3 CYS 97 HB1 CYS 97 95.822 -8.784 3.943 699 H THR 98 HN THR 98 95.664 -9.095 7.116 700 HA THR 98 HA THR 98 97.503 -7.359 8.322 701 HB THR 98 HB THR 98 97.430 -10.364 8.252 702 HG1 THR 98 HG1 THR 98 95.772 -8.789 9.298 703 HG21 THR 98 HG21 THR 98 99.645 -9.678 8.812 704 HG22 THR 98 HG22 THR 98 98.837 -10.106 10.319 705 HG23 THR 98 HG23 THR 98 99.046 -8.412 9.877 706 H ASP 99 HN ASP 99 97.932 -9.822 5.917 707 HA ASP 99 HA ASP 99 99.448 -9.974 4.192 708 HB2 ASP 99 HB2 ASP 99 99.404 -7.352 4.426 709 HB3 ASP 99 HB1 ASP 99 100.984 -7.584 5.168 710 H HIS 100 HN HIS 100 99.846 -10.592 7.245 711 HA HIS 100 HA HIS 100 102.649 -10.783 7.663 712 HB2 HIS 100 HB2 HIS 100 101.882 -12.630 9.331 713 HB3 HIS 100 HB1 HIS 100 101.363 -10.974 9.616 714 HD2 HIS 100 HD2 HIS 100 99.281 -12.459 6.765 715 HE1 HIS 100 HE1 HIS 100 97.028 -13.082 10.269 716 HE2 HIS 100 HE2 HIS 100 96.969 -13.144 7.733 717 H VAL 101 HN VAL 101 104.025 -12.610 7.542 718 HA VAL 101 HA VAL 101 103.413 -14.386 5.299 719 HB VAL 101 HB VAL 101 105.928 -14.090 6.945 720 HG11 VAL 101 HG11 VAL 101 105.931 -16.248 5.925 721 HG12 VAL 101 HG12 VAL 101 106.912 -15.223 4.878 722 HG13 VAL 101 HG13 VAL 101 105.252 -15.614 4.427 723 HG21 VAL 101 HG21 VAL 101 105.378 -13.082 4.145 724 HG22 VAL 101 HG22 VAL 101 106.745 -12.685 5.188 725 HG23 VAL 101 HG23 VAL 101 105.134 -12.079 5.574 726 H CYS 102 HN CYS 102 102.850 -16.438 5.491 727 HA CYS 102 HA CYS 102 103.462 -17.981 7.891 728 HB2 CYS 102 HB2 CYS 102 100.684 -18.499 7.351 729 HB3 CYS 102 HB1 CYS 102 101.398 -17.842 8.819 730 H ASP 103 HN ASP 103 103.505 -17.781 4.682 731 HA ASP 103 HA ASP 103 103.514 -19.280 2.927 732 HB2 ASP 103 HB2 ASP 103 104.504 -20.959 5.235 733 HB3 ASP 103 HB1 ASP 103 104.520 -21.516 3.563 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 56.992 1.804 -12.212 2 H2 GLY 1 HT2 GLY 1 55.989 2.151 -10.886 3 H3 GLY 1 HT3 GLY 1 57.623 1.755 -10.640 4 HA2 GLY 1 HA2 GLY 1 58.390 3.784 -11.312 5 HA3 GLY 1 HA1 GLY 1 56.964 4.076 -12.311 6 H ALA 2 HN ALA 2 55.240 5.137 -11.450 7 HA ALA 2 HA ALA 2 55.588 6.522 -8.975 8 HB1 ALA 2 HB1 ALA 2 53.142 6.268 -10.742 9 HB2 ALA 2 HB2 ALA 2 54.371 7.528 -10.853 10 HB3 ALA 2 HB3 ALA 2 53.339 7.425 -9.428 11 H MET 3 HN MET 3 54.511 6.272 -7.031 12 HA MET 3 HA MET 3 53.727 5.001 -5.274 13 HB2 MET 3 HB2 MET 3 51.646 4.502 -7.409 14 HB3 MET 3 HB1 MET 3 51.454 4.000 -5.729 15 HG2 MET 3 HG2 MET 3 51.812 6.368 -5.023 16 HG3 MET 3 HG1 MET 3 51.873 6.836 -6.723 17 HE1 MET 3 HE1 MET 3 48.466 8.261 -5.761 18 HE2 MET 3 HE2 MET 3 49.843 8.462 -6.842 19 HE3 MET 3 HE3 MET 3 50.105 8.355 -5.102 20 H GLY 4 HN GLY 4 55.528 3.672 -7.335 21 HA2 GLY 4 HA2 GLY 4 54.737 0.921 -7.473 22 HA3 GLY 4 HA1 GLY 4 56.336 1.567 -7.833 23 H SER 5 HN SER 5 56.270 -0.799 -6.569 24 HA SER 5 HA SER 5 56.250 -0.606 -3.715 25 HB2 SER 5 HB2 SER 5 57.641 -2.697 -5.395 26 HB3 SER 5 HB1 SER 5 57.093 -2.850 -3.729 27 HG SER 5 HG SER 5 54.977 -2.701 -4.450 28 H CYS 6 HN CYS 6 57.953 -0.453 -2.285 29 HA CYS 6 HA CYS 6 60.685 -0.263 -3.206 30 HB2 CYS 6 HB2 CYS 6 61.017 2.063 -2.430 31 HB3 CYS 6 HB1 CYS 6 59.890 1.979 -3.783 32 H ARG 7 HN ARG 7 62.176 -0.340 -1.529 33 HA ARG 7 HA ARG 7 61.719 -1.823 0.693 34 HB2 ARG 7 HB2 ARG 7 63.630 0.045 1.619 35 HB3 ARG 7 HB1 ARG 7 63.967 -1.468 0.782 36 HG2 ARG 7 HG2 ARG 7 63.315 1.043 -0.772 37 HG3 ARG 7 HG1 ARG 7 64.941 0.736 -0.188 38 HD2 ARG 7 HD2 ARG 7 63.533 -1.460 -1.676 39 HD3 ARG 7 HD1 ARG 7 64.217 -0.113 -2.586 40 HE ARG 7 HE ARG 7 66.006 -1.341 -0.643 41 HH11 ARG 7 HH21 ARG 7 64.815 -1.229 -3.889 42 HH12 ARG 7 HH22 ARG 7 66.237 -1.935 -4.581 43 HH21 ARG 7 HH11 ARG 7 67.873 -2.255 -1.537 44 HH22 ARG 7 HH12 ARG 7 67.973 -2.517 -3.247 45 HA PRO 8 HA PRO 8 59.415 -0.088 4.025 46 HB2 PRO 8 HB2 PRO 8 62.043 0.689 5.247 47 HB3 PRO 8 HB1 PRO 8 60.627 -0.057 6.011 48 HG2 PRO 8 HG2 PRO 8 62.822 -1.472 5.220 49 HG3 PRO 8 HG1 PRO 8 61.193 -2.162 5.314 50 HD2 PRO 8 HD2 PRO 8 62.798 -1.678 2.928 51 HD3 PRO 8 HD1 PRO 8 61.220 -2.481 3.041 52 HA PRO 9 HA PRO 9 59.749 4.104 2.122 53 HB2 PRO 9 HB2 PRO 9 57.125 4.417 3.513 54 HB3 PRO 9 HB1 PRO 9 57.557 4.781 1.830 55 HG2 PRO 9 HG2 PRO 9 56.106 2.633 2.465 56 HG3 PRO 9 HG1 PRO 9 57.301 2.590 1.157 57 HD2 PRO 9 HD2 PRO 9 57.490 1.437 3.917 58 HD3 PRO 9 HD1 PRO 9 58.145 0.823 2.380 59 H MET 10 HN MET 10 61.233 5.331 3.198 60 HA MET 10 HA MET 10 60.494 6.357 5.879 61 HB2 MET 10 HB2 MET 10 63.215 5.627 4.764 62 HB3 MET 10 HB1 MET 10 62.964 6.504 6.270 63 HG2 MET 10 HG2 MET 10 61.783 4.665 7.259 64 HG3 MET 10 HG1 MET 10 61.708 3.808 5.725 65 HE1 MET 10 HE1 MET 10 64.036 1.885 5.112 66 HE2 MET 10 HE2 MET 10 65.218 3.136 4.767 67 HE3 MET 10 HE3 MET 10 63.535 3.386 4.332 68 H VAL 11 HN VAL 11 62.328 6.981 2.872 69 HA VAL 11 HA VAL 11 61.681 9.862 3.166 70 HB VAL 11 HB VAL 11 64.276 8.916 1.973 71 HG11 VAL 11 HG11 VAL 11 63.511 11.488 3.383 72 HG12 VAL 11 HG12 VAL 11 63.395 11.264 1.637 73 HG13 VAL 11 HG13 VAL 11 64.966 11.186 2.433 74 HG21 VAL 11 HG21 VAL 11 64.240 7.972 4.200 75 HG22 VAL 11 HG22 VAL 11 63.627 9.479 4.873 76 HG23 VAL 11 HG23 VAL 11 65.264 9.404 4.227 77 H LYS 12 HN LYS 12 60.529 10.506 1.536 78 HA LYS 12 HA LYS 12 60.435 8.944 -0.931 79 HB2 LYS 12 HB2 LYS 12 58.732 11.230 0.103 80 HB3 LYS 12 HB1 LYS 12 58.522 10.505 -1.489 81 HG2 LYS 12 HG2 LYS 12 58.123 8.310 -0.462 82 HG3 LYS 12 HG1 LYS 12 58.378 8.998 1.143 83 HD2 LYS 12 HD2 LYS 12 56.443 10.528 0.765 84 HD3 LYS 12 HD1 LYS 12 56.171 9.761 -0.801 85 HE2 LYS 12 HE2 LYS 12 56.109 8.342 1.878 86 HE3 LYS 12 HE1 LYS 12 54.693 8.800 0.930 87 HZ1 LYS 12 HZ1 LYS 12 55.344 6.482 0.578 88 HZ2 LYS 12 HZ2 LYS 12 56.856 6.992 -0.002 89 HZ3 LYS 12 HZ3 LYS 12 55.440 7.388 -0.853 90 H LEU 13 HN LEU 13 61.854 9.371 -2.410 91 HA LEU 13 HA LEU 13 62.645 12.181 -2.947 92 HB2 LEU 13 HB2 LEU 13 64.685 11.373 -3.826 93 HB3 LEU 13 HB1 LEU 13 64.445 10.567 -2.281 94 HG LEU 13 HG LEU 13 63.227 8.776 -3.987 95 HD11 LEU 13 HD11 LEU 13 65.665 9.737 -5.484 96 HD12 LEU 13 HD12 LEU 13 64.031 10.194 -5.948 97 HD13 LEU 13 HD13 LEU 13 64.513 8.503 -5.980 98 HD21 LEU 13 HD21 LEU 13 65.220 7.417 -3.753 99 HD22 LEU 13 HD22 LEU 13 64.899 8.280 -2.246 100 HD23 LEU 13 HD23 LEU 13 66.166 8.846 -3.336 101 H VAL 14 HN VAL 14 62.013 13.035 -4.830 102 HA VAL 14 HA VAL 14 61.099 11.230 -6.964 103 HB VAL 14 HB VAL 14 59.508 13.206 -7.518 104 HG11 VAL 14 HG11 VAL 14 57.854 12.409 -5.831 105 HG12 VAL 14 HG12 VAL 14 59.157 11.559 -4.999 106 HG13 VAL 14 HG13 VAL 14 58.696 11.083 -6.634 107 HG21 VAL 14 HG21 VAL 14 60.714 14.771 -5.960 108 HG22 VAL 14 HG22 VAL 14 60.084 13.829 -4.609 109 HG23 VAL 14 HG23 VAL 14 58.975 14.687 -5.679 110 H CYS 15 HN CYS 15 61.062 12.286 -9.098 111 HA CYS 15 HA CYS 15 63.549 13.859 -9.457 112 HB2 CYS 15 HB2 CYS 15 63.563 11.762 -10.652 113 HB3 CYS 15 HB1 CYS 15 62.023 12.149 -11.416 114 HA PRO 16 HA PRO 16 60.552 17.284 -10.152 115 HB2 PRO 16 HB2 PRO 16 63.155 18.512 -10.987 116 HB3 PRO 16 HB1 PRO 16 61.857 19.201 -9.989 117 HG2 PRO 16 HG2 PRO 16 64.096 18.285 -8.894 118 HG3 PRO 16 HG1 PRO 16 62.528 18.058 -8.106 119 HD2 PRO 16 HD2 PRO 16 64.245 16.063 -9.493 120 HD3 PRO 16 HD1 PRO 16 63.090 15.829 -8.177 121 H ALA 17 HN ALA 17 60.407 18.895 -12.114 122 HA ALA 17 HA ALA 17 59.945 17.409 -14.449 123 HB1 ALA 17 HB1 ALA 17 60.318 20.400 -14.227 124 HB2 ALA 17 HB2 ALA 17 58.807 19.557 -13.885 125 HB3 ALA 17 HB3 ALA 17 59.480 19.536 -15.515 126 H ASP 18 HN ASP 18 62.564 19.615 -13.544 127 HA ASP 18 HA ASP 18 64.048 18.799 -15.946 128 HB2 ASP 18 HB2 ASP 18 64.511 21.027 -13.964 129 HB3 ASP 18 HB1 ASP 18 65.613 20.638 -15.281 130 H ASN 19 HN ASN 19 63.614 17.716 -12.919 131 HA ASN 19 HA ASN 19 64.761 16.256 -11.593 132 HB2 ASN 19 HB2 ASN 19 66.976 16.158 -13.605 133 HB3 ASN 19 HB1 ASN 19 66.396 14.889 -12.526 134 HD21 ASN 19 HD21 ASN 19 66.584 14.271 -15.235 135 HD22 ASN 19 HD22 ASN 19 65.031 14.175 -15.915 136 H LEU 20 HN LEU 20 65.003 18.595 -10.564 137 HA LEU 20 HA LEU 20 67.888 19.123 -10.191 138 HB2 LEU 20 HB2 LEU 20 67.222 21.425 -9.550 139 HB3 LEU 20 HB1 LEU 20 66.822 21.030 -11.220 140 HG LEU 20 HG LEU 20 64.717 20.476 -9.151 141 HD11 LEU 20 HD11 LEU 20 65.351 23.261 -10.144 142 HD12 LEU 20 HD12 LEU 20 65.508 22.694 -8.482 143 HD13 LEU 20 HD13 LEU 20 63.916 22.797 -9.231 144 HD21 LEU 20 HD21 LEU 20 64.622 20.124 -11.750 145 HD22 LEU 20 HD22 LEU 20 64.366 21.863 -11.803 146 HD23 LEU 20 HD23 LEU 20 63.231 20.838 -10.934 147 H ARG 21 HN ARG 21 65.998 17.253 -8.726 148 HA ARG 21 HA ARG 21 66.912 18.030 -6.062 149 HB2 ARG 21 HB2 ARG 21 64.580 19.018 -6.480 150 HB3 ARG 21 HB1 ARG 21 64.005 17.352 -6.467 151 HG2 ARG 21 HG2 ARG 21 64.888 17.015 -4.223 152 HG3 ARG 21 HG1 ARG 21 65.588 18.634 -4.227 153 HD2 ARG 21 HD2 ARG 21 63.503 18.747 -3.016 154 HD3 ARG 21 HD1 ARG 21 63.280 19.559 -4.561 155 HE ARG 21 HE ARG 21 61.857 17.823 -5.245 156 HH11 ARG 21 HH21 ARG 21 63.422 17.144 -2.233 157 HH12 ARG 21 HH22 ARG 21 62.393 15.809 -1.840 158 HH21 ARG 21 HH11 ARG 21 60.502 16.073 -4.734 159 HH22 ARG 21 HH12 ARG 21 60.740 15.202 -3.256 160 H ALA 22 HN ALA 22 68.054 16.054 -7.344 161 HA ALA 22 HA ALA 22 66.722 13.533 -7.067 162 HB1 ALA 22 HB1 ALA 22 68.820 12.549 -7.732 163 HB2 ALA 22 HB2 ALA 22 69.667 14.060 -7.403 164 HB3 ALA 22 HB3 ALA 22 68.521 13.965 -8.741 165 H GLU 23 HN GLU 23 68.266 15.588 -4.947 166 HA GLU 23 HA GLU 23 69.218 15.292 -2.849 167 HB2 GLU 23 HB2 GLU 23 67.618 14.335 -1.336 168 HB3 GLU 23 HB1 GLU 23 66.750 15.213 -2.586 169 HG2 GLU 23 HG2 GLU 23 66.159 13.166 -3.706 170 HG3 GLU 23 HG1 GLU 23 67.195 12.211 -2.653 171 H GLY 24 HN GLY 24 70.245 13.425 -4.877 172 HA2 GLY 24 HA2 GLY 24 71.671 11.673 -3.132 173 HA3 GLY 24 HA1 GLY 24 70.466 10.794 -4.069 174 H LEU 25 HN LEU 25 72.991 10.066 -4.485 175 HA LEU 25 HA LEU 25 74.283 11.554 -6.581 176 HB2 LEU 25 HB2 LEU 25 74.740 8.697 -5.697 177 HB3 LEU 25 HB1 LEU 25 75.846 9.698 -6.639 178 HG LEU 25 HG LEU 25 74.920 10.293 -3.813 179 HD11 LEU 25 HD11 LEU 25 77.496 9.180 -4.948 180 HD12 LEU 25 HD12 LEU 25 76.430 8.431 -3.756 181 HD13 LEU 25 HD13 LEU 25 77.377 9.855 -3.323 182 HD21 LEU 25 HD21 LEU 25 76.956 11.939 -4.075 183 HD22 LEU 25 HD22 LEU 25 75.393 12.398 -4.741 184 HD23 LEU 25 HD23 LEU 25 76.649 11.761 -5.803 185 H GLU 26 HN GLU 26 72.466 11.717 -8.049 186 HA GLU 26 HA GLU 26 71.296 11.115 -9.929 187 HB2 GLU 26 HB2 GLU 26 73.652 10.581 -10.653 188 HB3 GLU 26 HB1 GLU 26 73.352 8.911 -10.180 189 HG2 GLU 26 HG2 GLU 26 72.891 9.054 -12.532 190 HG3 GLU 26 HG1 GLU 26 71.334 8.944 -11.716 191 H CYS 27 HN CYS 27 72.426 7.866 -9.084 192 HA CYS 27 HA CYS 27 69.747 6.815 -9.263 193 HB2 CYS 27 HB2 CYS 27 72.127 5.304 -8.200 194 HB3 CYS 27 HB1 CYS 27 70.749 4.696 -9.118 195 H THR 28 HN THR 28 70.412 4.806 -7.121 196 HA THR 28 HA THR 28 69.177 6.264 -4.917 197 HB THR 28 HB THR 28 68.875 4.087 -3.906 198 HG1 THR 28 HG1 THR 28 70.744 3.054 -4.357 199 HG21 THR 28 HG21 THR 28 67.372 4.774 -5.796 200 HG22 THR 28 HG22 THR 28 67.511 3.027 -5.601 201 HG23 THR 28 HG23 THR 28 68.401 3.844 -6.885 202 H LYS 29 HN LYS 29 70.259 4.608 -2.834 203 HA LYS 29 HA LYS 29 73.116 5.193 -2.764 204 HB2 LYS 29 HB2 LYS 29 72.317 7.271 -1.933 205 HB3 LYS 29 HB1 LYS 29 71.117 6.480 -0.915 206 HG2 LYS 29 HG2 LYS 29 72.794 5.622 0.552 207 HG3 LYS 29 HG1 LYS 29 74.084 6.058 -0.559 208 HD2 LYS 29 HD2 LYS 29 73.512 8.451 -0.231 209 HD3 LYS 29 HD1 LYS 29 72.264 7.974 0.923 210 HE2 LYS 29 HE2 LYS 29 73.942 6.938 2.367 211 HE3 LYS 29 HE1 LYS 29 75.208 7.301 1.194 212 HZ1 LYS 29 HZ1 LYS 29 74.902 8.894 3.144 213 HZ2 LYS 29 HZ2 LYS 29 73.511 9.437 2.332 214 HZ3 LYS 29 HZ3 LYS 29 75.036 9.573 1.595 215 H THR 30 HN THR 30 73.547 3.053 -2.588 216 HA THR 30 HA THR 30 72.856 1.870 0.034 217 HB THR 30 HB THR 30 72.822 0.271 -2.469 218 HG1 THR 30 HG1 THR 30 71.122 1.514 -2.780 219 HG21 THR 30 HG21 THR 30 71.717 -0.203 0.286 220 HG22 THR 30 HG22 THR 30 73.199 -0.913 -0.319 221 HG23 THR 30 HG23 THR 30 71.657 -1.358 -1.040 222 H CYS 31 HN CYS 31 74.345 0.273 0.707 223 HA CYS 31 HA CYS 31 77.014 0.989 0.316 224 HB2 CYS 31 HB2 CYS 31 75.861 -0.298 2.265 225 HB3 CYS 31 HB1 CYS 31 76.277 -1.735 1.325 226 H GLN 32 HN GLN 32 75.150 -0.465 -1.910 227 HA GLN 32 HA GLN 32 77.303 -2.192 -2.970 228 HB2 GLN 32 HB2 GLN 32 75.429 -2.930 -4.552 229 HB3 GLN 32 HB1 GLN 32 75.269 -3.393 -2.856 230 HG2 GLN 32 HG2 GLN 32 73.800 -1.521 -2.444 231 HG3 GLN 32 HG1 GLN 32 73.974 -0.934 -4.095 232 HE21 GLN 32 HE21 GLN 32 71.743 -1.199 -4.665 233 HE22 GLN 32 HE22 GLN 32 71.013 -2.727 -4.784 234 H ASN 33 HN ASN 33 75.062 0.460 -3.902 235 HA ASN 33 HA ASN 33 76.736 1.008 -6.249 236 HB2 ASN 33 HB2 ASN 33 73.854 1.614 -5.676 237 HB3 ASN 33 HB1 ASN 33 74.729 2.221 -7.081 238 HD21 ASN 33 HD21 ASN 33 72.440 0.406 -7.213 239 HD22 ASN 33 HD22 ASN 33 72.997 -1.045 -7.898 240 H TYR 34 HN TYR 34 76.081 2.130 -3.148 241 HA TYR 34 HA TYR 34 75.828 4.834 -3.332 242 HB2 TYR 34 HB2 TYR 34 75.853 3.798 -1.169 243 HB3 TYR 34 HB1 TYR 34 77.498 3.207 -1.406 244 HD1 TYR 34 HD1 TYR 34 75.844 6.554 -1.947 245 HD2 TYR 34 HD2 TYR 34 78.952 4.347 0.033 246 HE1 TYR 34 HE1 TYR 34 76.692 8.644 -0.974 247 HE2 TYR 34 HE2 TYR 34 79.806 6.453 1.011 248 HH TYR 34 HH TYR 34 78.389 8.969 1.492 249 H ASP 35 HN ASP 35 78.877 2.953 -3.508 250 HA ASP 35 HA ASP 35 80.300 5.378 -4.409 251 HB2 ASP 35 HB2 ASP 35 81.182 3.916 -2.528 252 HB3 ASP 35 HB1 ASP 35 81.468 2.674 -3.746 253 H LEU 36 HN LEU 36 78.656 2.777 -5.665 254 HA LEU 36 HA LEU 36 80.286 2.755 -8.149 255 HB2 LEU 36 HB2 LEU 36 78.567 0.505 -7.174 256 HB3 LEU 36 HB1 LEU 36 79.641 0.496 -8.547 257 HG LEU 36 HG LEU 36 80.523 0.912 -5.675 258 HD11 LEU 36 HD11 LEU 36 80.939 -1.532 -7.406 259 HD12 LEU 36 HD12 LEU 36 79.587 -1.388 -6.287 260 HD13 LEU 36 HD13 LEU 36 81.238 -1.363 -5.678 261 HD21 LEU 36 HD21 LEU 36 81.964 0.665 -8.324 262 HD22 LEU 36 HD22 LEU 36 82.775 0.307 -6.798 263 HD23 LEU 36 HD23 LEU 36 82.138 1.920 -7.098 264 H GLU 37 HN GLU 37 79.283 3.423 -9.946 265 HA GLU 37 HA GLU 37 76.785 4.631 -9.960 266 HB2 GLU 37 HB2 GLU 37 78.294 3.387 -12.277 267 HB3 GLU 37 HB1 GLU 37 76.929 4.489 -12.441 268 HG2 GLU 37 HG2 GLU 37 78.746 5.956 -12.609 269 HG3 GLU 37 HG1 GLU 37 78.343 6.080 -10.901 270 H CYS 38 HN CYS 38 74.739 3.991 -10.348 271 HA CYS 38 HA CYS 38 74.038 1.263 -9.953 272 HB2 CYS 38 HB2 CYS 38 71.753 2.006 -10.253 273 HB3 CYS 38 HB1 CYS 38 72.617 3.214 -9.305 274 H MET 39 HN MET 39 72.719 -0.031 -11.443 275 HA MET 39 HA MET 39 73.955 -0.405 -13.932 276 HB2 MET 39 HB2 MET 39 72.765 -2.191 -12.711 277 HB3 MET 39 HB1 MET 39 71.242 -1.363 -13.033 278 HG2 MET 39 HG2 MET 39 71.653 -1.594 -15.473 279 HG3 MET 39 HG1 MET 39 73.143 -2.466 -15.124 280 HE1 MET 39 HE1 MET 39 73.365 -4.278 -13.687 281 HE2 MET 39 HE2 MET 39 72.331 -5.700 -13.723 282 HE3 MET 39 HE3 MET 39 72.084 -4.473 -12.484 283 H SER 40 HN SER 40 71.018 1.225 -13.025 284 HA SER 40 HA SER 40 70.772 2.277 -15.798 285 HB2 SER 40 HB2 SER 40 68.853 0.876 -15.081 286 HB3 SER 40 HB1 SER 40 68.582 1.973 -13.730 287 HG SER 40 HG SER 40 68.054 3.571 -15.134 288 H MET 41 HN MET 41 71.785 4.193 -15.764 289 HA MET 41 HA MET 41 71.726 5.945 -13.477 290 HB2 MET 41 HB2 MET 41 72.726 6.342 -16.308 291 HB3 MET 41 HB1 MET 41 72.932 7.513 -15.007 292 HG2 MET 41 HG2 MET 41 73.915 4.645 -14.894 293 HG3 MET 41 HG1 MET 41 74.926 6.025 -15.325 294 HE1 MET 41 HE1 MET 41 76.347 7.356 -13.205 295 HE2 MET 41 HE2 MET 41 75.075 8.249 -12.381 296 HE3 MET 41 HE3 MET 41 75.015 8.058 -14.131 297 H GLY 42 HN GLY 42 70.609 7.854 -13.228 298 HA2 GLY 42 HA2 GLY 42 69.294 9.572 -14.654 299 HA3 GLY 42 HA1 GLY 42 68.262 8.185 -14.994 300 H CYS 43 HN CYS 43 67.430 10.588 -13.704 301 HA CYS 43 HA CYS 43 67.250 10.129 -10.868 302 HB2 CYS 43 HB2 CYS 43 65.856 12.096 -10.830 303 HB3 CYS 43 HB1 CYS 43 67.191 12.397 -11.938 304 H VAL 44 HN VAL 44 66.053 8.524 -10.067 305 HA VAL 44 HA VAL 44 63.362 8.045 -11.235 306 HB VAL 44 HB VAL 44 65.392 6.027 -10.255 307 HG11 VAL 44 HG11 VAL 44 62.424 5.788 -10.787 308 HG12 VAL 44 HG12 VAL 44 63.315 5.287 -9.349 309 HG13 VAL 44 HG13 VAL 44 63.502 4.394 -10.857 310 HG21 VAL 44 HG21 VAL 44 65.067 5.102 -12.524 311 HG22 VAL 44 HG22 VAL 44 65.614 6.778 -12.601 312 HG23 VAL 44 HG23 VAL 44 63.917 6.390 -12.884 313 H SER 45 HN SER 45 61.764 8.283 -9.838 314 HA SER 45 HA SER 45 62.167 9.054 -7.167 315 HB2 SER 45 HB2 SER 45 60.139 9.629 -8.455 316 HB3 SER 45 HB1 SER 45 59.665 7.934 -8.441 317 HG SER 45 HG SER 45 60.269 9.260 -6.037 318 H GLY 46 HN GLY 46 61.903 7.960 -5.221 319 HA2 GLY 46 HA2 GLY 46 61.105 5.227 -5.045 320 HA3 GLY 46 HA1 GLY 46 62.858 5.373 -5.003 321 H CYS 47 HN CYS 47 61.724 4.329 -2.877 322 HA CYS 47 HA CYS 47 61.699 6.459 -0.801 323 HB2 CYS 47 HB2 CYS 47 60.619 3.813 -0.021 324 HB3 CYS 47 HB1 CYS 47 59.958 5.429 0.245 325 H LEU 48 HN LEU 48 63.788 6.580 -0.144 326 HA LEU 48 HA LEU 48 65.092 4.052 0.715 327 HB2 LEU 48 HB2 LEU 48 66.608 6.554 -0.007 328 HB3 LEU 48 HB1 LEU 48 67.159 4.879 -0.006 329 HG LEU 48 HG LEU 48 65.089 5.994 -1.928 330 HD11 LEU 48 HD11 LEU 48 67.237 7.044 -2.337 331 HD12 LEU 48 HD12 LEU 48 66.953 5.831 -3.585 332 HD13 LEU 48 HD13 LEU 48 68.056 5.489 -2.251 333 HD21 LEU 48 HD21 LEU 48 65.655 3.878 -3.172 334 HD22 LEU 48 HD22 LEU 48 64.880 3.583 -1.618 335 HD23 LEU 48 HD23 LEU 48 66.621 3.371 -1.786 336 H CYS 49 HN CYS 49 67.109 4.984 2.218 337 HA CYS 49 HA CYS 49 65.683 6.148 4.479 338 HB2 CYS 49 HB2 CYS 49 67.689 4.194 4.219 339 HB3 CYS 49 HB1 CYS 49 68.490 5.554 5.000 340 HA PRO 50 HA PRO 50 67.436 10.166 4.424 341 HB2 PRO 50 HB2 PRO 50 68.860 9.824 7.026 342 HB3 PRO 50 HB1 PRO 50 67.585 10.978 6.587 343 HG2 PRO 50 HG2 PRO 50 67.090 8.892 8.178 344 HG3 PRO 50 HG1 PRO 50 65.892 9.465 6.999 345 HD2 PRO 50 HD2 PRO 50 67.725 7.091 6.823 346 HD3 PRO 50 HD1 PRO 50 66.022 7.248 6.336 347 HA PRO 51 HA PRO 51 71.707 10.322 3.210 348 HB2 PRO 51 HB2 PRO 51 72.382 12.703 4.830 349 HB3 PRO 51 HB1 PRO 51 72.210 12.562 3.070 350 HG2 PRO 51 HG2 PRO 51 70.432 13.904 4.586 351 HG3 PRO 51 HG1 PRO 51 69.958 13.027 3.120 352 HD2 PRO 51 HD2 PRO 51 69.679 12.167 5.995 353 HD3 PRO 51 HD1 PRO 51 68.518 12.040 4.657 354 H GLY 52 HN GLY 52 73.852 9.793 3.803 355 HA2 GLY 52 HA2 GLY 52 75.613 9.189 5.188 356 HA3 GLY 52 HA1 GLY 52 74.685 9.772 6.567 357 H MET 53 HN MET 53 72.494 7.952 5.186 358 HA MET 53 HA MET 53 73.375 5.435 6.529 359 HB2 MET 53 HB2 MET 53 70.558 6.493 6.189 360 HB3 MET 53 HB1 MET 53 71.034 5.021 7.028 361 HG2 MET 53 HG2 MET 53 72.608 6.787 8.355 362 HG3 MET 53 HG1 MET 53 71.276 7.858 7.914 363 HE1 MET 53 HE1 MET 53 71.876 4.150 9.035 364 HE2 MET 53 HE2 MET 53 71.310 4.248 10.701 365 HE3 MET 53 HE3 MET 53 72.661 5.250 10.178 366 H VAL 54 HN VAL 54 72.756 3.468 5.626 367 HA VAL 54 HA VAL 54 71.857 3.576 2.814 368 HB VAL 54 HB VAL 54 73.531 1.804 2.280 369 HG11 VAL 54 HG11 VAL 54 74.815 4.244 3.534 370 HG12 VAL 54 HG12 VAL 54 74.031 4.244 1.960 371 HG13 VAL 54 HG13 VAL 54 75.465 3.261 2.224 372 HG21 VAL 54 HG21 VAL 54 74.510 2.384 5.084 373 HG22 VAL 54 HG22 VAL 54 75.348 1.384 3.903 374 HG23 VAL 54 HG23 VAL 54 73.783 0.874 4.538 375 H ARG 55 HN ARG 55 70.501 1.981 2.195 376 HA ARG 55 HA ARG 55 69.185 0.491 4.257 377 HB2 ARG 55 HB2 ARG 55 67.804 -0.386 2.383 378 HB3 ARG 55 HB1 ARG 55 67.909 1.375 2.377 379 HG2 ARG 55 HG2 ARG 55 69.840 1.147 0.747 380 HG3 ARG 55 HG1 ARG 55 69.439 -0.564 0.628 381 HD2 ARG 55 HD2 ARG 55 67.156 0.024 -0.097 382 HD3 ARG 55 HD1 ARG 55 67.579 1.735 -0.013 383 HE ARG 55 HE ARG 55 69.473 0.491 -1.659 384 HH11 ARG 55 HH21 ARG 55 66.072 1.114 -1.566 385 HH12 ARG 55 HH22 ARG 55 65.897 1.180 -3.287 386 HH21 ARG 55 HH11 ARG 55 69.254 0.574 -3.914 387 HH22 ARG 55 HH12 ARG 55 67.700 0.875 -4.619 388 H HIS 56 HN HIS 56 69.638 -1.468 4.964 389 HA HIS 56 HA HIS 56 71.158 -3.355 3.279 390 HB2 HIS 56 HB2 HIS 56 72.836 -2.524 4.728 391 HB3 HIS 56 HB1 HIS 56 71.732 -2.438 6.097 392 HD2 HIS 56 HD2 HIS 56 72.943 -4.331 7.757 393 HE1 HIS 56 HE1 HIS 56 72.978 -7.507 4.999 394 HE2 HIS 56 HE2 HIS 56 73.396 -6.876 7.412 395 H GLU 57 HN GLU 57 70.057 -5.220 3.096 396 HA GLU 57 HA GLU 57 68.397 -6.804 3.472 397 HB2 GLU 57 HB2 GLU 57 69.754 -6.457 6.132 398 HB3 GLU 57 HB1 GLU 57 68.420 -7.598 5.956 399 HG2 GLU 57 HG2 GLU 57 69.589 -8.824 4.253 400 HG3 GLU 57 HG1 GLU 57 70.850 -7.604 4.158 401 H ASN 58 HN ASN 58 67.552 -4.006 3.587 402 HA ASN 58 HA ASN 58 65.458 -3.045 3.814 403 HB2 ASN 58 HB2 ASN 58 64.637 -5.121 5.834 404 HB3 ASN 58 HB1 ASN 58 63.639 -4.206 4.718 405 HD21 ASN 58 HD21 ASN 58 64.996 -4.599 2.280 406 HD22 ASN 58 HD22 ASN 58 64.979 -6.250 1.889 407 H ARG 59 HN ARG 59 67.909 -3.088 5.879 408 HA ARG 59 HA ARG 59 66.540 -1.409 7.882 409 HB2 ARG 59 HB2 ARG 59 67.713 -2.436 9.607 410 HB3 ARG 59 HB1 ARG 59 67.537 -3.801 8.512 411 HG2 ARG 59 HG2 ARG 59 69.883 -2.845 7.572 412 HG3 ARG 59 HG1 ARG 59 69.984 -2.208 9.201 413 HD2 ARG 59 HD2 ARG 59 69.506 -5.107 8.463 414 HD3 ARG 59 HD1 ARG 59 71.027 -4.433 9.040 415 HE ARG 59 HE ARG 59 68.682 -5.014 10.644 416 HH11 ARG 59 HH21 ARG 59 71.601 -3.191 10.303 417 HH12 ARG 59 HH22 ARG 59 71.796 -2.921 12.004 418 HH21 ARG 59 HH11 ARG 59 68.919 -4.650 12.876 419 HH22 ARG 59 HH12 ARG 59 70.278 -3.748 13.460 420 H CYS 60 HN CYS 60 67.717 0.461 8.556 421 HA CYS 60 HA CYS 60 69.741 1.321 6.587 422 HB2 CYS 60 HB2 CYS 60 68.361 2.986 8.695 423 HB3 CYS 60 HB1 CYS 60 69.282 3.555 7.308 424 H VAL 61 HN VAL 61 71.800 1.646 7.087 425 HA VAL 61 HA VAL 61 72.600 1.824 9.916 426 HB VAL 61 HB VAL 61 74.326 0.166 9.677 427 HG11 VAL 61 HG11 VAL 61 72.993 -1.797 9.596 428 HG12 VAL 61 HG12 VAL 61 71.866 -1.080 8.444 429 HG13 VAL 61 HG13 VAL 61 71.885 -0.527 10.118 430 HG21 VAL 61 HG21 VAL 61 73.394 0.060 6.798 431 HG22 VAL 61 HG22 VAL 61 74.401 -1.193 7.525 432 HG23 VAL 61 HG23 VAL 61 75.006 0.457 7.394 433 H ALA 62 HN ALA 62 74.687 2.661 10.204 434 HA ALA 62 HA ALA 62 75.357 4.780 8.353 435 HB1 ALA 62 HB1 ALA 62 77.143 3.811 10.556 436 HB2 ALA 62 HB2 ALA 62 75.676 4.712 10.925 437 HB3 ALA 62 HB3 ALA 62 76.936 5.446 9.933 438 H LEU 63 HN LEU 63 77.168 5.063 7.131 439 HA LEU 63 HA LEU 63 77.934 3.015 5.495 440 HB2 LEU 63 HB2 LEU 63 79.346 5.562 6.272 441 HB3 LEU 63 HB1 LEU 63 80.094 4.449 5.131 442 HG LEU 63 HG LEU 63 78.742 6.276 4.051 443 HD11 LEU 63 HD11 LEU 63 79.105 3.832 3.136 444 HD12 LEU 63 HD12 LEU 63 77.962 4.899 2.340 445 HD13 LEU 63 HD13 LEU 63 77.378 3.663 3.437 446 HD21 LEU 63 HD21 LEU 63 76.363 4.770 5.161 447 HD22 LEU 63 HD22 LEU 63 76.347 6.273 4.245 448 HD23 LEU 63 HD23 LEU 63 77.008 6.243 5.876 449 H GLU 64 HN GLU 64 79.682 4.123 8.411 450 HA GLU 64 HA GLU 64 81.771 2.245 8.148 451 HB2 GLU 64 HB2 GLU 64 82.409 2.905 10.354 452 HB3 GLU 64 HB1 GLU 64 81.771 4.343 9.559 453 HG2 GLU 64 HG2 GLU 64 79.511 3.717 10.605 454 HG3 GLU 64 HG1 GLU 64 80.428 2.595 11.613 455 H ARG 65 HN ARG 65 78.486 1.836 9.032 456 HA ARG 65 HA ARG 65 79.037 -0.626 10.555 457 HB2 ARG 65 HB2 ARG 65 76.489 0.948 10.047 458 HB3 ARG 65 HB1 ARG 65 76.603 -0.497 11.053 459 HG2 ARG 65 HG2 ARG 65 78.113 0.603 12.578 460 HG3 ARG 65 HG1 ARG 65 78.223 2.004 11.519 461 HD2 ARG 65 HD2 ARG 65 76.684 2.548 13.270 462 HD3 ARG 65 HD1 ARG 65 75.764 2.330 11.786 463 HE ARG 65 HE ARG 65 75.903 -0.120 13.235 464 HH11 ARG 65 HH21 ARG 65 74.447 3.019 13.220 465 HH12 ARG 65 HH22 ARG 65 73.016 2.512 14.050 466 HH21 ARG 65 HH11 ARG 65 74.025 -0.793 14.330 467 HH22 ARG 65 HH12 ARG 65 72.776 0.356 14.679 468 H CYS 66 HN CYS 66 78.363 0.392 7.427 469 HA CYS 66 HA CYS 66 76.514 -1.427 6.486 470 HB2 CYS 66 HB2 CYS 66 77.079 0.058 4.815 471 HB3 CYS 66 HB1 CYS 66 78.769 0.068 5.271 472 HA PRO 67 HA PRO 67 78.540 -5.373 6.827 473 HB2 PRO 67 HB2 PRO 67 77.179 -6.805 4.954 474 HB3 PRO 67 HB1 PRO 67 76.412 -6.260 6.461 475 HG2 PRO 67 HG2 PRO 67 76.295 -5.017 3.739 476 HG3 PRO 67 HG1 PRO 67 74.986 -5.338 4.877 477 HD2 PRO 67 HD2 PRO 67 76.087 -2.880 4.670 478 HD3 PRO 67 HD1 PRO 67 75.492 -3.507 6.219 479 H CYS 68 HN CYS 68 79.836 -6.923 5.584 480 HA CYS 68 HA CYS 68 81.069 -5.700 3.141 481 HB2 CYS 68 HB2 CYS 68 82.979 -7.419 4.057 482 HB3 CYS 68 HB1 CYS 68 82.908 -5.710 4.487 483 H PHE 69 HN PHE 69 81.877 -7.210 1.534 484 HA PHE 69 HA PHE 69 80.511 -9.842 1.571 485 HB2 PHE 69 HB2 PHE 69 80.881 -8.086 -0.867 486 HB3 PHE 69 HB1 PHE 69 79.933 -9.566 -0.751 487 HD1 PHE 69 HD2 PHE 69 77.767 -9.584 0.468 488 HD2 PHE 69 HD1 PHE 69 80.053 -5.978 -0.019 489 HE1 PHE 69 HE2 PHE 69 75.770 -8.235 1.092 490 HE2 PHE 69 HE1 PHE 69 78.060 -4.634 0.602 491 HZ PHE 69 HZ PHE 69 75.924 -5.749 1.135 492 H HIS 70 HN HIS 70 81.795 -11.493 1.227 493 HA HIS 70 HA HIS 70 84.229 -11.180 -0.393 494 HB2 HIS 70 HB2 HIS 70 85.003 -10.753 1.865 495 HB3 HIS 70 HB1 HIS 70 84.210 -12.207 2.451 496 HD2 HIS 70 HD2 HIS 70 85.813 -14.446 2.353 497 HE1 HIS 70 HE1 HIS 70 88.691 -12.968 -0.348 498 HE2 HIS 70 HE2 HIS 70 88.070 -14.928 1.136 499 H GLN 71 HN GLN 71 84.392 -12.838 -1.782 500 HA GLN 71 HA GLN 71 84.076 -14.895 -2.756 501 HB2 GLN 71 HB2 GLN 71 84.000 -15.710 0.153 502 HB3 GLN 71 HB1 GLN 71 84.007 -16.851 -1.181 503 HG2 GLN 71 HG2 GLN 71 86.141 -16.030 -1.954 504 HG3 GLN 71 HG1 GLN 71 86.105 -14.706 -0.794 505 HE21 GLN 71 HE21 GLN 71 88.046 -17.051 -1.087 506 HE22 GLN 71 HE22 GLN 71 88.068 -17.771 0.450 507 H GLY 72 HN GLY 72 81.741 -13.243 -2.467 508 HA2 GLY 72 HA2 GLY 72 79.530 -13.496 -3.025 509 HA3 GLY 72 HA1 GLY 72 79.751 -15.239 -2.947 510 H LYS 73 HN LYS 73 80.914 -14.261 -0.089 511 HA LYS 73 HA LYS 73 78.307 -14.669 1.264 512 HB2 LYS 73 HB2 LYS 73 81.172 -15.279 1.957 513 HB3 LYS 73 HB1 LYS 73 80.044 -14.972 3.278 514 HG2 LYS 73 HG2 LYS 73 80.099 -17.359 2.828 515 HG3 LYS 73 HG1 LYS 73 78.533 -16.727 2.328 516 HD2 LYS 73 HD2 LYS 73 79.233 -16.668 0.009 517 HD3 LYS 73 HD1 LYS 73 80.878 -17.118 0.451 518 HE2 LYS 73 HE2 LYS 73 80.068 -19.280 1.294 519 HE3 LYS 73 HE1 LYS 73 78.411 -18.826 0.896 520 HZ1 LYS 73 HZ1 LYS 73 79.591 -20.233 -0.791 521 HZ2 LYS 73 HZ2 LYS 73 80.587 -18.894 -1.113 522 HZ3 LYS 73 HZ3 LYS 73 78.913 -18.799 -1.390 523 H GLU 74 HN GLU 74 77.585 -13.294 2.856 524 HA GLU 74 HA GLU 74 78.781 -10.617 2.808 525 HB2 GLU 74 HB2 GLU 74 76.383 -10.864 2.207 526 HB3 GLU 74 HB1 GLU 74 76.079 -11.493 3.827 527 HG2 GLU 74 HG2 GLU 74 76.873 -9.405 4.821 528 HG3 GLU 74 HG1 GLU 74 77.274 -8.774 3.226 529 H TYR 75 HN TYR 75 79.776 -9.804 4.509 530 HA TYR 75 HA TYR 75 79.556 -11.186 7.122 531 HB2 TYR 75 HB2 TYR 75 81.935 -9.701 6.007 532 HB3 TYR 75 HB1 TYR 75 81.860 -10.573 7.537 533 HD1 TYR 75 HD1 TYR 75 81.478 -10.973 3.860 534 HD2 TYR 75 HD2 TYR 75 82.312 -12.898 7.604 535 HE1 TYR 75 HE1 TYR 75 82.061 -13.048 2.663 536 HE2 TYR 75 HE2 TYR 75 82.899 -14.976 6.394 537 HH TYR 75 HH TYR 75 83.737 -15.565 4.048 538 H ALA 76 HN ALA 76 80.462 -9.628 8.882 539 HA ALA 76 HA ALA 76 79.073 -7.040 8.546 540 HB1 ALA 76 HB1 ALA 76 78.458 -9.072 10.263 541 HB2 ALA 76 HB2 ALA 76 78.047 -7.383 10.551 542 HB3 ALA 76 HB3 ALA 76 79.489 -8.081 11.287 543 HA PRO 77 HA PRO 77 82.605 -4.720 9.854 544 HB2 PRO 77 HB2 PRO 77 81.253 -3.690 12.298 545 HB3 PRO 77 HB1 PRO 77 81.873 -2.798 10.896 546 HG2 PRO 77 HG2 PRO 77 79.255 -3.108 11.290 547 HG3 PRO 77 HG1 PRO 77 79.953 -3.148 9.659 548 HD2 PRO 77 HD2 PRO 77 79.070 -5.449 11.386 549 HD3 PRO 77 HD1 PRO 77 78.835 -5.185 9.646 550 H GLY 78 HN GLY 78 84.490 -5.140 11.006 551 HA2 GLY 78 HA2 GLY 78 85.877 -5.890 12.716 552 HA3 GLY 78 HA1 GLY 78 84.451 -6.096 13.727 553 H GLU 79 HN GLU 79 83.734 -7.633 10.928 554 HA GLU 79 HA GLU 79 84.151 -10.252 12.095 555 HB2 GLU 79 HB2 GLU 79 82.135 -9.453 10.681 556 HB3 GLU 79 HB1 GLU 79 83.186 -9.703 9.289 557 HG2 GLU 79 HG2 GLU 79 81.930 -11.723 9.617 558 HG3 GLU 79 HG1 GLU 79 83.587 -12.045 10.126 559 H THR 80 HN THR 80 85.749 -11.677 11.606 560 HA THR 80 HA THR 80 87.838 -10.752 9.736 561 HB THR 80 HB THR 80 89.356 -11.600 11.203 562 HG1 THR 80 HG1 THR 80 89.318 -13.641 11.699 563 HG21 THR 80 HG21 THR 80 88.709 -11.376 13.461 564 HG22 THR 80 HG22 THR 80 87.072 -11.934 13.128 565 HG23 THR 80 HG23 THR 80 87.585 -10.341 12.588 566 H VAL 81 HN VAL 81 88.848 -12.144 8.320 567 HA VAL 81 HA VAL 81 87.637 -14.786 7.914 568 HB VAL 81 HB VAL 81 87.273 -14.427 5.536 569 HG11 VAL 81 HG11 VAL 81 86.051 -12.167 7.130 570 HG12 VAL 81 HG12 VAL 81 85.485 -13.838 7.174 571 HG13 VAL 81 HG13 VAL 81 85.385 -12.910 5.676 572 HG21 VAL 81 HG21 VAL 81 88.300 -11.638 6.136 573 HG22 VAL 81 HG22 VAL 81 87.436 -12.056 4.656 574 HG23 VAL 81 HG23 VAL 81 88.990 -12.811 5.012 575 H LYS 82 HN LYS 82 89.036 -16.280 6.812 576 HA LYS 82 HA LYS 82 91.811 -15.395 6.850 577 HB2 LYS 82 HB2 LYS 82 90.848 -17.520 8.035 578 HB3 LYS 82 HB1 LYS 82 90.846 -18.222 6.421 579 HG2 LYS 82 HG2 LYS 82 92.973 -18.834 7.166 580 HG3 LYS 82 HG1 LYS 82 93.334 -17.323 6.336 581 HD2 LYS 82 HD2 LYS 82 93.225 -16.111 8.492 582 HD3 LYS 82 HD1 LYS 82 92.841 -17.619 9.317 583 HE2 LYS 82 HE2 LYS 82 95.224 -17.132 9.548 584 HE3 LYS 82 HE1 LYS 82 95.005 -18.563 8.543 585 HZ1 LYS 82 HZ1 LYS 82 95.536 -17.408 6.634 586 HZ2 LYS 82 HZ2 LYS 82 96.600 -16.721 7.766 587 HZ3 LYS 82 HZ3 LYS 82 95.188 -15.892 7.313 588 H ILE 83 HN ILE 83 92.939 -15.111 5.024 589 HA ILE 83 HA ILE 83 91.987 -16.324 2.510 590 HB ILE 83 HB ILE 83 92.701 -13.399 2.867 591 HG12 ILE 83 HG12 ILE 83 90.128 -14.701 1.917 592 HG13 ILE 83 HG11 ILE 83 90.390 -14.160 3.571 593 HG21 ILE 83 HG21 ILE 83 92.102 -13.297 0.416 594 HG22 ILE 83 HG22 ILE 83 92.098 -15.059 0.400 595 HG23 ILE 83 HG23 ILE 83 93.587 -14.184 0.750 596 HD11 ILE 83 HD11 ILE 83 90.447 -12.431 1.093 597 HD12 ILE 83 HD12 ILE 83 90.868 -11.870 2.711 598 HD13 ILE 83 HD13 ILE 83 89.226 -12.412 2.366 599 H GLY 84 HN GLY 84 93.587 -17.317 1.456 600 HA2 GLY 84 HA2 GLY 84 95.748 -18.198 1.224 601 HA3 GLY 84 HA1 GLY 84 96.005 -16.554 0.654 602 H CYS 85 HN CYS 85 96.247 -18.683 3.442 603 HA CYS 85 HA CYS 85 97.332 -18.472 5.464 604 HB2 CYS 85 HB2 CYS 85 99.789 -17.713 5.031 605 HB3 CYS 85 HB1 CYS 85 99.211 -19.203 4.304 606 H ASN 86 HN ASN 86 95.963 -15.920 4.287 607 HA ASN 86 HA ASN 86 97.101 -14.048 6.299 608 HB2 ASN 86 HB2 ASN 86 95.909 -13.151 3.684 609 HB3 ASN 86 HB1 ASN 86 96.826 -12.215 4.855 610 HD21 ASN 86 HD21 ASN 86 99.039 -13.808 5.350 611 HD22 ASN 86 HD22 ASN 86 99.914 -14.052 3.915 612 H THR 87 HN THR 87 95.558 -12.484 7.090 613 HA THR 87 HA THR 87 92.724 -13.353 6.834 614 HB THR 87 HB THR 87 94.141 -13.984 8.968 615 HG1 THR 87 HG1 THR 87 92.221 -14.570 9.526 616 HG21 THR 87 HG21 THR 87 94.615 -11.509 9.343 617 HG22 THR 87 HG22 THR 87 94.032 -12.419 10.732 618 HG23 THR 87 HG23 THR 87 92.928 -11.380 9.833 619 H CYS 88 HN CYS 88 91.155 -11.856 7.077 620 HA CYS 88 HA CYS 88 92.048 -9.038 7.259 621 HB2 CYS 88 HB2 CYS 88 90.022 -9.825 5.178 622 HB3 CYS 88 HB1 CYS 88 91.061 -8.400 5.236 623 H VAL 89 HN VAL 89 90.433 -7.507 7.683 624 HA VAL 89 HA VAL 89 87.977 -8.624 8.863 625 HB VAL 89 HB VAL 89 89.918 -8.063 10.532 626 HG11 VAL 89 HG11 VAL 89 88.721 -5.301 10.301 627 HG12 VAL 89 HG12 VAL 89 90.179 -5.748 9.423 628 HG13 VAL 89 HG13 VAL 89 90.162 -5.806 11.183 629 HG21 VAL 89 HG21 VAL 89 87.547 -8.585 11.114 630 HG22 VAL 89 HG22 VAL 89 87.181 -6.868 10.988 631 HG23 VAL 89 HG23 VAL 89 88.307 -7.443 12.216 632 H CYS 90 HN CYS 90 86.191 -7.377 8.752 633 HA CYS 90 HA CYS 90 86.017 -5.425 6.691 634 HB2 CYS 90 HB2 CYS 90 84.119 -6.127 8.937 635 HB3 CYS 90 HB1 CYS 90 83.707 -5.129 7.541 636 H ARG 91 HN ARG 91 87.040 -3.542 6.918 637 HA ARG 91 HA ARG 91 86.351 -1.873 9.246 638 HB2 ARG 91 HB2 ARG 91 88.619 -2.841 9.599 639 HB3 ARG 91 HB1 ARG 91 89.135 -2.100 8.083 640 HG2 ARG 91 HG2 ARG 91 88.667 0.117 8.942 641 HG3 ARG 91 HG1 ARG 91 87.965 -0.560 10.412 642 HD2 ARG 91 HD2 ARG 91 90.179 -1.622 10.914 643 HD3 ARG 91 HD1 ARG 91 90.851 -0.776 9.522 644 HE ARG 91 HE ARG 91 90.754 1.232 10.730 645 HH11 ARG 91 HH21 ARG 91 89.124 -1.354 12.354 646 HH12 ARG 91 HH22 ARG 91 88.960 -0.496 13.848 647 HH21 ARG 91 HH11 ARG 91 90.541 2.363 12.688 648 HH22 ARG 91 HH12 ARG 91 89.762 1.609 14.039 649 H ASP 92 HN ASP 92 85.361 -0.137 8.481 650 HA ASP 92 HA ASP 92 84.795 1.646 7.159 651 HB2 ASP 92 HB2 ASP 92 87.608 1.233 6.134 652 HB3 ASP 92 HB1 ASP 92 86.572 2.554 5.630 653 H ARG 93 HN ARG 93 83.668 -0.663 6.426 654 HA ARG 93 HA ARG 93 82.655 -1.762 4.675 655 HB2 ARG 93 HB2 ARG 93 83.227 0.963 3.530 656 HB3 ARG 93 HB1 ARG 93 82.491 -0.286 2.525 657 HG2 ARG 93 HG2 ARG 93 80.661 -0.529 4.095 658 HG3 ARG 93 HG1 ARG 93 81.409 0.611 5.209 659 HD2 ARG 93 HD2 ARG 93 79.664 1.728 3.903 660 HD3 ARG 93 HD1 ARG 93 81.252 2.375 3.497 661 HE ARG 93 HE ARG 93 80.208 0.217 1.802 662 HH11 ARG 93 HH21 ARG 93 80.822 3.587 2.315 663 HH12 ARG 93 HH22 ARG 93 80.669 4.008 0.645 664 HH21 ARG 93 HH11 ARG 93 80.009 0.768 -0.391 665 HH22 ARG 93 HH12 ARG 93 80.210 2.415 -0.887 666 H LYS 94 HN LYS 94 85.803 -1.563 4.928 667 HA LYS 94 HA LYS 94 86.281 -3.014 2.394 668 HB2 LYS 94 HB2 LYS 94 87.998 -0.875 3.668 669 HB3 LYS 94 HB1 LYS 94 88.606 -2.014 2.464 670 HG2 LYS 94 HG2 LYS 94 86.848 -1.274 0.889 671 HG3 LYS 94 HG1 LYS 94 86.287 -0.103 2.084 672 HD2 LYS 94 HD2 LYS 94 88.483 1.000 2.057 673 HD3 LYS 94 HD1 LYS 94 89.070 -0.180 0.884 674 HE2 LYS 94 HE2 LYS 94 86.687 1.623 0.414 675 HE3 LYS 94 HE1 LYS 94 88.320 1.980 -0.148 676 HZ1 LYS 94 HZ1 LYS 94 87.649 -0.652 -0.864 677 HZ2 LYS 94 HZ2 LYS 94 88.001 0.664 -1.879 678 HZ3 LYS 94 HZ3 LYS 94 86.404 0.379 -1.376 679 H TRP 95 HN TRP 95 88.119 -4.459 2.513 680 HA TRP 95 HA TRP 95 88.260 -5.756 5.153 681 HB2 TRP 95 HB2 TRP 95 89.019 -6.615 2.360 682 HB3 TRP 95 HB1 TRP 95 89.450 -7.550 3.788 683 HD1 TRP 95 HD1 TRP 95 86.595 -6.763 1.498 684 HE1 TRP 95 HE1 TRP 95 84.503 -8.098 2.216 685 HE3 TRP 95 HE3 TRP 95 88.171 -8.489 6.053 686 HZ2 TRP 95 HZ2 TRP 95 83.642 -9.709 4.406 687 HZ3 TRP 95 HZ3 TRP 95 86.696 -9.936 7.414 688 HH2 TRP 95 HH2 TRP 95 84.433 -10.539 6.606 689 H ASN 96 HN ASN 96 90.016 -5.724 6.410 690 HA ASN 96 HA ASN 96 92.469 -4.413 5.356 691 HB2 ASN 96 HB2 ASN 96 91.094 -3.602 7.483 692 HB3 ASN 96 HB1 ASN 96 92.002 -4.873 8.290 693 HD21 ASN 96 HD21 ASN 96 92.274 -1.748 6.692 694 HD22 ASN 96 HD22 ASN 96 93.898 -1.477 7.102 695 H CYS 97 HN CYS 97 93.473 -6.171 4.442 696 HA CYS 97 HA CYS 97 93.747 -8.663 5.854 697 HB2 CYS 97 HB2 CYS 97 94.997 -7.643 3.302 698 HB3 CYS 97 HB1 CYS 97 95.198 -9.282 3.928 699 H THR 98 HN THR 98 95.302 -9.412 7.037 700 HA THR 98 HA THR 98 97.134 -7.732 8.283 701 HB THR 98 HB THR 98 97.098 -10.722 8.034 702 HG1 THR 98 HG1 THR 98 96.316 -10.300 10.295 703 HG21 THR 98 HG21 THR 98 98.579 -8.901 9.922 704 HG22 THR 98 HG22 THR 98 99.282 -9.914 8.674 705 HG23 THR 98 HG23 THR 98 98.495 -10.655 10.058 706 H ASP 99 HN ASP 99 97.538 -10.019 5.718 707 HA ASP 99 HA ASP 99 99.165 -10.306 4.146 708 HB2 ASP 99 HB2 ASP 99 99.496 -7.377 4.762 709 HB3 ASP 99 HB1 ASP 99 100.453 -8.184 3.531 710 H HIS 100 HN HIS 100 99.747 -10.808 6.988 711 HA HIS 100 HA HIS 100 102.542 -10.180 7.383 712 HB2 HIS 100 HB2 HIS 100 102.315 -11.894 9.262 713 HB3 HIS 100 HB1 HIS 100 101.301 -10.472 9.388 714 HD2 HIS 100 HD2 HIS 100 99.550 -12.578 6.811 715 HE1 HIS 100 HE1 HIS 100 97.995 -13.894 10.498 716 HE2 HIS 100 HE2 HIS 100 97.654 -13.913 7.987 717 H VAL 101 HN VAL 101 104.080 -12.077 7.831 718 HA VAL 101 HA VAL 101 104.831 -13.372 5.572 719 HB VAL 101 HB VAL 101 105.008 -14.791 8.226 720 HG11 VAL 101 HG11 VAL 101 107.274 -15.338 7.350 721 HG12 VAL 101 HG12 VAL 101 106.883 -14.472 5.865 722 HG13 VAL 101 HG13 VAL 101 105.987 -15.928 6.298 723 HG21 VAL 101 HG21 VAL 101 107.068 -13.332 8.575 724 HG22 VAL 101 HG22 VAL 101 105.518 -12.522 8.792 725 HG23 VAL 101 HG23 VAL 101 106.434 -12.287 7.304 726 H CYS 102 HN CYS 102 103.922 -14.811 4.264 727 HA CYS 102 HA CYS 102 101.538 -16.229 5.054 728 HB2 CYS 102 HB2 CYS 102 101.517 -15.437 2.833 729 HB3 CYS 102 HB1 CYS 102 103.120 -16.086 2.503 730 H ASP 103 HN ASP 103 102.670 -17.386 6.790 731 HA ASP 103 HA ASP 103 104.678 -19.299 6.372 732 HB2 ASP 103 HB2 ASP 103 103.912 -18.556 8.608 733 HB3 ASP 103 HB1 ASP 103 102.401 -19.433 8.362 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 55.052 8.329 -6.706 2 H2 GLY 1 HT2 GLY 1 53.819 8.340 -7.874 3 H3 GLY 1 HT3 GLY 1 53.894 7.092 -6.725 4 HA2 GLY 1 HA2 GLY 1 53.191 9.935 -6.280 5 HA3 GLY 1 HA1 GLY 1 52.183 8.515 -5.999 6 H ALA 2 HN ALA 2 52.404 10.150 -3.906 7 HA ALA 2 HA ALA 2 54.626 9.767 -2.199 8 HB1 ALA 2 HB1 ALA 2 51.751 10.401 -1.493 9 HB2 ALA 2 HB2 ALA 2 53.004 11.581 -1.873 10 HB3 ALA 2 HB3 ALA 2 53.137 10.592 -0.420 11 H MET 3 HN MET 3 51.584 8.009 -2.594 12 HA MET 3 HA MET 3 52.336 6.083 -0.503 13 HB2 MET 3 HB2 MET 3 49.814 6.462 -2.131 14 HB3 MET 3 HB1 MET 3 50.053 5.143 -0.984 15 HG2 MET 3 HG2 MET 3 50.377 6.731 0.839 16 HG3 MET 3 HG1 MET 3 50.274 8.083 -0.287 17 HE1 MET 3 HE1 MET 3 48.792 5.040 1.142 18 HE2 MET 3 HE2 MET 3 47.807 4.747 -0.288 19 HE3 MET 3 HE3 MET 3 47.039 5.268 1.209 20 H GLY 4 HN GLY 4 52.944 4.028 -0.907 21 HA2 GLY 4 HA2 GLY 4 52.482 2.667 -3.372 22 HA3 GLY 4 HA1 GLY 4 54.135 3.274 -3.287 23 H SER 5 HN SER 5 53.670 0.568 -3.439 24 HA SER 5 HA SER 5 53.742 -0.592 -0.776 25 HB2 SER 5 HB2 SER 5 54.108 -1.809 -3.522 26 HB3 SER 5 HB1 SER 5 54.085 -2.726 -2.018 27 HG SER 5 HG SER 5 51.993 -1.053 -2.098 28 H CYS 6 HN CYS 6 55.941 0.981 -2.709 29 HA CYS 6 HA CYS 6 58.286 -0.372 -2.792 30 HB2 CYS 6 HB2 CYS 6 59.443 1.726 -2.611 31 HB3 CYS 6 HB1 CYS 6 57.911 2.045 -3.425 32 H ARG 7 HN ARG 7 60.091 -0.638 -1.400 33 HA ARG 7 HA ARG 7 59.721 -1.815 1.019 34 HB2 ARG 7 HB2 ARG 7 62.177 -0.384 1.322 35 HB3 ARG 7 HB1 ARG 7 61.969 -2.035 0.749 36 HG2 ARG 7 HG2 ARG 7 61.783 -1.291 -1.542 37 HG3 ARG 7 HG1 ARG 7 61.746 0.399 -1.043 38 HD2 ARG 7 HD2 ARG 7 64.014 0.381 -0.393 39 HD3 ARG 7 HD1 ARG 7 64.078 -1.381 -0.338 40 HE ARG 7 HE ARG 7 64.575 -1.351 -2.595 41 HH11 ARG 7 HH21 ARG 7 63.021 1.595 -1.654 42 HH12 ARG 7 HH22 ARG 7 63.198 2.346 -3.205 43 HH21 ARG 7 HH11 ARG 7 64.813 -0.376 -4.626 44 HH22 ARG 7 HH12 ARG 7 64.215 1.228 -4.890 45 HA PRO 8 HA PRO 8 58.600 0.647 4.488 46 HB2 PRO 8 HB2 PRO 8 61.528 0.920 5.121 47 HB3 PRO 8 HB1 PRO 8 60.172 0.564 6.211 48 HG2 PRO 8 HG2 PRO 8 61.842 -1.351 5.192 49 HG3 PRO 8 HG1 PRO 8 60.174 -1.663 5.694 50 HD2 PRO 8 HD2 PRO 8 61.269 -1.755 3.000 51 HD3 PRO 8 HD1 PRO 8 59.617 -2.149 3.519 52 HA PRO 9 HA PRO 9 59.690 4.526 2.317 53 HB2 PRO 9 HB2 PRO 9 57.340 5.848 2.612 54 HB3 PRO 9 HB1 PRO 9 57.549 4.541 1.429 55 HG2 PRO 9 HG2 PRO 9 56.232 4.478 4.105 56 HG3 PRO 9 HG1 PRO 9 55.767 3.666 2.598 57 HD2 PRO 9 HD2 PRO 9 57.141 2.438 4.702 58 HD3 PRO 9 HD1 PRO 9 57.128 1.845 3.025 59 H MET 10 HN MET 10 60.976 5.953 3.276 60 HA MET 10 HA MET 10 60.141 7.196 5.828 61 HB2 MET 10 HB2 MET 10 62.875 6.200 4.978 62 HB3 MET 10 HB1 MET 10 62.588 7.209 6.398 63 HG2 MET 10 HG2 MET 10 61.134 5.522 7.372 64 HG3 MET 10 HG1 MET 10 61.234 4.540 5.913 65 HE1 MET 10 HE1 MET 10 64.047 4.169 4.941 66 HE2 MET 10 HE2 MET 10 62.842 2.951 5.347 67 HE3 MET 10 HE3 MET 10 64.487 2.784 5.949 68 H VAL 11 HN VAL 11 62.089 7.462 2.837 69 HA VAL 11 HA VAL 11 61.724 10.409 2.961 70 HB VAL 11 HB VAL 11 64.218 9.157 1.834 71 HG11 VAL 11 HG11 VAL 11 63.699 11.545 1.378 72 HG12 VAL 11 HG12 VAL 11 65.155 11.363 2.358 73 HG13 VAL 11 HG13 VAL 11 63.635 11.845 3.115 74 HG21 VAL 11 HG21 VAL 11 64.091 8.274 4.077 75 HG22 VAL 11 HG22 VAL 11 63.622 9.846 4.717 76 HG23 VAL 11 HG23 VAL 11 65.246 9.599 4.084 77 H LYS 12 HN LYS 12 60.610 11.049 1.291 78 HA LYS 12 HA LYS 12 60.399 9.435 -1.125 79 HB2 LYS 12 HB2 LYS 12 58.647 11.040 -1.752 80 HB3 LYS 12 HB1 LYS 12 58.382 10.437 -0.115 81 HG2 LYS 12 HG2 LYS 12 59.533 12.467 0.774 82 HG3 LYS 12 HG1 LYS 12 59.636 13.090 -0.872 83 HD2 LYS 12 HD2 LYS 12 57.162 12.955 -1.054 84 HD3 LYS 12 HD1 LYS 12 57.090 12.424 0.626 85 HE2 LYS 12 HE2 LYS 12 58.263 15.049 -0.336 86 HE3 LYS 12 HE1 LYS 12 56.694 14.857 0.445 87 HZ1 LYS 12 HZ1 LYS 12 57.698 14.959 2.398 88 HZ2 LYS 12 HZ2 LYS 12 59.211 15.124 1.644 89 HZ3 LYS 12 HZ3 LYS 12 58.612 13.579 2.024 90 H LEU 13 HN LEU 13 61.328 9.852 -3.007 91 HA LEU 13 HA LEU 13 62.719 12.429 -3.436 92 HB2 LEU 13 HB2 LEU 13 64.675 11.295 -4.256 93 HB3 LEU 13 HB1 LEU 13 64.307 10.645 -2.665 94 HG LEU 13 HG LEU 13 62.890 8.876 -4.198 95 HD11 LEU 13 HD11 LEU 13 63.790 8.469 -6.299 96 HD12 LEU 13 HD12 LEU 13 65.368 9.138 -5.886 97 HD13 LEU 13 HD13 LEU 13 64.021 10.215 -6.242 98 HD21 LEU 13 HD21 LEU 13 64.560 8.307 -2.492 99 HD22 LEU 13 HD22 LEU 13 65.860 8.742 -3.603 100 HD23 LEU 13 HD23 LEU 13 64.822 7.363 -3.960 101 H VAL 14 HN VAL 14 61.910 13.335 -5.205 102 HA VAL 14 HA VAL 14 60.695 11.600 -7.237 103 HB VAL 14 HB VAL 14 59.453 13.544 -7.929 104 HG11 VAL 14 HG11 VAL 14 59.668 13.487 -4.902 105 HG12 VAL 14 HG12 VAL 14 58.717 12.362 -5.872 106 HG13 VAL 14 HG13 VAL 14 58.288 14.072 -5.831 107 HG21 VAL 14 HG21 VAL 14 60.947 15.357 -7.900 108 HG22 VAL 14 HG22 VAL 14 61.507 15.000 -6.265 109 HG23 VAL 14 HG23 VAL 14 59.916 15.718 -6.519 110 H CYS 15 HN CYS 15 61.893 11.122 -8.918 111 HA CYS 15 HA CYS 15 64.379 12.107 -9.544 112 HB2 CYS 15 HB2 CYS 15 62.405 10.476 -10.909 113 HB3 CYS 15 HB1 CYS 15 63.335 11.426 -12.063 114 HA PRO 16 HA PRO 16 63.534 16.396 -10.704 115 HB2 PRO 16 HB2 PRO 16 65.904 15.917 -12.463 116 HB3 PRO 16 HB1 PRO 16 65.564 17.288 -11.393 117 HG2 PRO 16 HG2 PRO 16 67.283 15.375 -10.693 118 HG3 PRO 16 HG1 PRO 16 66.237 16.151 -9.505 119 HD2 PRO 16 HD2 PRO 16 66.110 13.407 -10.633 120 HD3 PRO 16 HD1 PRO 16 65.517 14.024 -9.080 121 H ALA 17 HN ALA 17 63.594 17.643 -12.936 122 HA ALA 17 HA ALA 17 61.644 16.513 -14.598 123 HB1 ALA 17 HB1 ALA 17 63.558 18.756 -15.257 124 HB2 ALA 17 HB2 ALA 17 62.031 18.953 -14.397 125 HB3 ALA 17 HB3 ALA 17 62.035 18.409 -16.074 126 H ASP 18 HN ASP 18 65.149 16.865 -15.020 127 HA ASP 18 HA ASP 18 64.998 15.009 -17.314 128 HB2 ASP 18 HB2 ASP 18 67.044 17.086 -16.559 129 HB3 ASP 18 HB1 ASP 18 67.320 15.881 -17.811 130 H ASN 19 HN ASN 19 65.168 14.646 -14.251 131 HA ASN 19 HA ASN 19 66.049 13.100 -12.823 132 HB2 ASN 19 HB2 ASN 19 67.284 11.836 -15.261 133 HB3 ASN 19 HB1 ASN 19 66.943 11.067 -13.715 134 HD21 ASN 19 HD21 ASN 19 64.341 12.736 -13.625 135 HD22 ASN 19 HD22 ASN 19 63.280 11.874 -14.631 136 H LEU 20 HN LEU 20 67.426 15.324 -12.608 137 HA LEU 20 HA LEU 20 70.105 15.183 -13.396 138 HB2 LEU 20 HB2 LEU 20 68.683 16.912 -11.400 139 HB3 LEU 20 HB1 LEU 20 70.433 16.942 -11.495 140 HG LEU 20 HG LEU 20 69.410 18.711 -12.861 141 HD11 LEU 20 HD11 LEU 20 70.476 16.883 -14.965 142 HD12 LEU 20 HD12 LEU 20 71.520 17.176 -13.574 143 HD13 LEU 20 HD13 LEU 20 70.946 18.529 -14.546 144 HD21 LEU 20 HD21 LEU 20 67.308 17.459 -13.395 145 HD22 LEU 20 HD22 LEU 20 68.221 16.470 -14.532 146 HD23 LEU 20 HD23 LEU 20 68.052 18.206 -14.803 147 H ARG 21 HN ARG 21 68.523 14.238 -10.404 148 HA ARG 21 HA ARG 21 70.892 13.618 -8.984 149 HB2 ARG 21 HB2 ARG 21 68.688 13.982 -7.925 150 HB3 ARG 21 HB1 ARG 21 68.107 12.483 -8.646 151 HG2 ARG 21 HG2 ARG 21 69.857 11.224 -7.445 152 HG3 ARG 21 HG1 ARG 21 70.435 12.726 -6.723 153 HD2 ARG 21 HD2 ARG 21 68.152 13.057 -5.745 154 HD3 ARG 21 HD1 ARG 21 67.711 11.462 -6.348 155 HE ARG 21 HE ARG 21 70.105 11.453 -4.737 156 HH11 ARG 21 HH21 ARG 21 66.648 11.373 -4.773 157 HH12 ARG 21 HH22 ARG 21 66.514 10.559 -3.251 158 HH21 ARG 21 HH11 ARG 21 69.943 10.388 -2.747 159 HH22 ARG 21 HH12 ARG 21 68.382 9.999 -2.101 160 H ALA 22 HN ALA 22 68.693 11.675 -10.959 161 HA ALA 22 HA ALA 22 70.432 9.324 -10.702 162 HB1 ALA 22 HB1 ALA 22 68.007 9.006 -10.410 163 HB2 ALA 22 HB2 ALA 22 68.602 8.128 -11.818 164 HB3 ALA 22 HB3 ALA 22 67.736 9.647 -12.030 165 H GLU 23 HN GLU 23 70.770 8.038 -12.717 166 HA GLU 23 HA GLU 23 71.838 7.873 -14.743 167 HB2 GLU 23 HB2 GLU 23 69.877 10.096 -15.332 168 HB3 GLU 23 HB1 GLU 23 70.846 9.282 -16.558 169 HG2 GLU 23 HG2 GLU 23 69.854 7.120 -15.918 170 HG3 GLU 23 HG1 GLU 23 68.893 7.929 -14.681 171 H GLY 24 HN GLY 24 72.858 9.770 -12.662 172 HA2 GLY 24 HA2 GLY 24 74.877 11.031 -14.314 173 HA3 GLY 24 HA1 GLY 24 73.831 12.167 -13.465 174 H LEU 25 HN LEU 25 73.813 12.149 -11.148 175 HA LEU 25 HA LEU 25 76.397 11.692 -10.016 176 HB2 LEU 25 HB2 LEU 25 75.008 13.548 -9.247 177 HB3 LEU 25 HB1 LEU 25 73.762 12.424 -8.710 178 HG LEU 25 HG LEU 25 75.295 11.471 -7.046 179 HD11 LEU 25 HD11 LEU 25 77.510 12.863 -6.740 180 HD12 LEU 25 HD12 LEU 25 77.277 13.266 -8.439 181 HD13 LEU 25 HD13 LEU 25 77.457 11.583 -7.948 182 HD21 LEU 25 HD21 LEU 25 75.574 13.496 -5.622 183 HD22 LEU 25 HD22 LEU 25 73.983 13.428 -6.380 184 HD23 LEU 25 HD23 LEU 25 75.222 14.504 -7.026 185 H GLU 26 HN GLU 26 73.505 10.675 -8.311 186 HA GLU 26 HA GLU 26 74.251 7.848 -8.469 187 HB2 GLU 26 HB2 GLU 26 74.240 9.443 -5.900 188 HB3 GLU 26 HB1 GLU 26 74.127 7.684 -5.941 189 HG2 GLU 26 HG2 GLU 26 76.268 7.591 -7.193 190 HG3 GLU 26 HG1 GLU 26 76.389 9.346 -7.097 191 H CYS 27 HN CYS 27 72.321 7.300 -9.375 192 HA CYS 27 HA CYS 27 69.805 8.343 -8.673 193 HB2 CYS 27 HB2 CYS 27 68.865 6.536 -9.933 194 HB3 CYS 27 HB1 CYS 27 70.355 7.007 -10.746 195 H THR 28 HN THR 28 71.810 5.938 -7.170 196 HA THR 28 HA THR 28 69.804 5.626 -5.032 197 HB THR 28 HB THR 28 71.378 3.199 -5.850 198 HG1 THR 28 HG1 THR 28 68.961 4.032 -7.073 199 HG21 THR 28 HG21 THR 28 68.599 3.668 -4.726 200 HG22 THR 28 HG22 THR 28 70.010 3.092 -3.837 201 HG23 THR 28 HG23 THR 28 69.283 2.085 -5.089 202 H LYS 29 HN LYS 29 70.886 4.493 -3.084 203 HA LYS 29 HA LYS 29 73.758 4.960 -2.883 204 HB2 LYS 29 HB2 LYS 29 72.604 7.139 -2.295 205 HB3 LYS 29 HB1 LYS 29 71.875 6.293 -0.932 206 HG2 LYS 29 HG2 LYS 29 74.264 5.630 -0.285 207 HG3 LYS 29 HG1 LYS 29 74.795 6.836 -1.450 208 HD2 LYS 29 HD2 LYS 29 74.711 8.147 0.468 209 HD3 LYS 29 HD1 LYS 29 73.076 8.392 -0.140 210 HE2 LYS 29 HE2 LYS 29 72.382 6.403 1.327 211 HE3 LYS 29 HE1 LYS 29 73.970 6.521 2.073 212 HZ1 LYS 29 HZ1 LYS 29 72.923 7.960 3.422 213 HZ2 LYS 29 HZ2 LYS 29 71.675 8.274 2.313 214 HZ3 LYS 29 HZ3 LYS 29 73.171 9.065 2.158 215 H THR 30 HN THR 30 73.877 2.714 -2.546 216 HA THR 30 HA THR 30 72.861 1.861 0.105 217 HB THR 30 HB THR 30 73.107 0.082 -2.273 218 HG1 THR 30 HG1 THR 30 71.304 0.866 -2.941 219 HG21 THR 30 HG21 THR 30 71.803 -0.159 0.426 220 HG22 THR 30 HG22 THR 30 73.127 -1.133 -0.207 221 HG23 THR 30 HG23 THR 30 71.507 -1.298 -0.884 222 H CYS 31 HN CYS 31 74.202 -0.025 0.985 223 HA CYS 31 HA CYS 31 76.907 0.633 1.111 224 HB2 CYS 31 HB2 CYS 31 75.569 -2.043 1.592 225 HB3 CYS 31 HB1 CYS 31 77.178 -1.596 2.144 226 H GLN 32 HN GLN 32 75.206 -0.871 -1.420 227 HA GLN 32 HA GLN 32 77.596 -2.273 -2.409 228 HB2 GLN 32 HB2 GLN 32 75.982 -3.013 -4.237 229 HB3 GLN 32 HB1 GLN 32 75.644 -3.597 -2.606 230 HG2 GLN 32 HG2 GLN 32 74.001 -1.860 -2.268 231 HG3 GLN 32 HG1 GLN 32 74.364 -1.126 -3.831 232 HE21 GLN 32 HE21 GLN 32 71.784 -2.314 -2.856 233 HE22 GLN 32 HE22 GLN 32 71.402 -3.529 -3.978 234 H ASN 33 HN ASN 33 75.404 0.425 -3.294 235 HA ASN 33 HA ASN 33 77.118 0.997 -5.604 236 HB2 ASN 33 HB2 ASN 33 74.342 1.892 -4.888 237 HB3 ASN 33 HB1 ASN 33 75.231 2.407 -6.319 238 HD21 ASN 33 HD21 ASN 33 76.336 -0.634 -6.027 239 HD22 ASN 33 HD22 ASN 33 75.154 -1.485 -6.901 240 H TYR 34 HN TYR 34 76.750 1.974 -2.409 241 HA TYR 34 HA TYR 34 76.702 4.684 -2.343 242 HB2 TYR 34 HB2 TYR 34 77.104 3.049 -0.412 243 HB3 TYR 34 HB1 TYR 34 78.810 3.109 -0.845 244 HD1 TYR 34 HD2 TYR 34 79.976 5.359 -0.892 245 HD2 TYR 34 HD1 TYR 34 76.078 4.783 0.783 246 HE1 TYR 34 HE2 TYR 34 80.181 7.503 0.331 247 HE2 TYR 34 HE1 TYR 34 76.267 6.934 1.991 248 HH TYR 34 HH TYR 34 77.574 8.644 2.482 249 H ASP 35 HN ASP 35 79.646 2.708 -2.868 250 HA ASP 35 HA ASP 35 81.052 5.084 -3.931 251 HB2 ASP 35 HB2 ASP 35 83.070 3.624 -3.716 252 HB3 ASP 35 HB1 ASP 35 82.268 3.980 -2.189 253 H LEU 36 HN LEU 36 79.228 2.591 -5.090 254 HA LEU 36 HA LEU 36 80.810 2.385 -7.590 255 HB2 LEU 36 HB2 LEU 36 78.905 0.307 -6.554 256 HB3 LEU 36 HB1 LEU 36 79.936 0.190 -7.963 257 HG LEU 36 HG LEU 36 80.934 0.536 -5.127 258 HD11 LEU 36 HD11 LEU 36 81.407 -1.776 -5.086 259 HD12 LEU 36 HD12 LEU 36 81.167 -1.944 -6.825 260 HD13 LEU 36 HD13 LEU 36 79.782 -1.688 -5.765 261 HD21 LEU 36 HD21 LEU 36 82.626 1.395 -6.513 262 HD22 LEU 36 HD22 LEU 36 82.266 0.267 -7.821 263 HD23 LEU 36 HD23 LEU 36 83.091 -0.299 -6.368 264 H GLU 37 HN GLU 37 79.464 1.940 -9.544 265 HA GLU 37 HA GLU 37 77.600 3.975 -9.930 266 HB2 GLU 37 HB2 GLU 37 78.828 2.826 -11.755 267 HB3 GLU 37 HB1 GLU 37 77.821 1.399 -11.502 268 HG2 GLU 37 HG2 GLU 37 75.806 2.708 -12.016 269 HG3 GLU 37 HG1 GLU 37 76.787 4.159 -12.218 270 H CYS 38 HN CYS 38 75.426 4.130 -9.828 271 HA CYS 38 HA CYS 38 74.039 2.081 -8.279 272 HB2 CYS 38 HB2 CYS 38 72.393 3.709 -7.864 273 HB3 CYS 38 HB1 CYS 38 73.901 4.619 -7.869 274 H MET 39 HN MET 39 72.514 0.748 -9.017 275 HA MET 39 HA MET 39 72.194 0.470 -11.876 276 HB2 MET 39 HB2 MET 39 71.029 -1.052 -9.534 277 HB3 MET 39 HB1 MET 39 70.750 -1.476 -11.223 278 HG2 MET 39 HG2 MET 39 73.178 -1.735 -11.562 279 HG3 MET 39 HG1 MET 39 73.463 -1.311 -9.874 280 HE1 MET 39 HE1 MET 39 74.582 -3.714 -8.932 281 HE2 MET 39 HE2 MET 39 74.818 -3.411 -10.651 282 HE3 MET 39 HE3 MET 39 74.343 -5.017 -10.104 283 H SER 40 HN SER 40 70.282 0.704 -13.049 284 HA SER 40 HA SER 40 68.592 2.836 -12.316 285 HB2 SER 40 HB2 SER 40 68.994 2.146 -14.654 286 HB3 SER 40 HB1 SER 40 68.097 0.659 -14.361 287 HG SER 40 HG SER 40 66.280 1.954 -13.868 288 H MET 41 HN MET 41 68.112 1.956 -10.098 289 HA MET 41 HA MET 41 66.376 -0.251 -9.730 290 HB2 MET 41 HB2 MET 41 67.016 2.182 -8.058 291 HB3 MET 41 HB1 MET 41 65.880 0.949 -7.517 292 HG2 MET 41 HG2 MET 41 68.732 0.367 -8.364 293 HG3 MET 41 HG1 MET 41 68.232 0.591 -6.690 294 HE1 MET 41 HE1 MET 41 66.566 -0.524 -5.553 295 HE2 MET 41 HE2 MET 41 66.258 -2.254 -5.637 296 HE3 MET 41 HE3 MET 41 65.257 -1.144 -6.568 297 H GLY 42 HN GLY 42 65.811 3.206 -10.230 298 HA2 GLY 42 HA2 GLY 42 63.486 3.112 -11.626 299 HA3 GLY 42 HA1 GLY 42 62.941 2.972 -9.957 300 H CYS 43 HN CYS 43 64.376 5.054 -12.350 301 HA CYS 43 HA CYS 43 64.899 7.247 -10.584 302 HB2 CYS 43 HB2 CYS 43 66.120 7.085 -12.665 303 HB3 CYS 43 HB1 CYS 43 64.625 7.108 -13.593 304 H VAL 44 HN VAL 44 62.415 6.433 -9.935 305 HA VAL 44 HA VAL 44 60.867 8.812 -10.444 306 HB VAL 44 HB VAL 44 60.273 7.460 -12.414 307 HG11 VAL 44 HG11 VAL 44 59.300 5.283 -12.192 308 HG12 VAL 44 HG12 VAL 44 59.184 5.446 -10.438 309 HG13 VAL 44 HG13 VAL 44 60.762 5.270 -11.204 310 HG21 VAL 44 HG21 VAL 44 57.875 7.566 -12.126 311 HG22 VAL 44 HG22 VAL 44 58.572 8.897 -11.202 312 HG23 VAL 44 HG23 VAL 44 58.030 7.437 -10.374 313 H SER 45 HN SER 45 59.609 9.272 -8.817 314 HA SER 45 HA SER 45 59.206 9.170 -6.482 315 HB2 SER 45 HB2 SER 45 57.072 8.210 -6.177 316 HB3 SER 45 HB1 SER 45 57.112 8.681 -7.874 317 HG SER 45 HG SER 45 56.391 6.598 -7.820 318 H GLY 46 HN GLY 46 60.911 8.330 -5.251 319 HA2 GLY 46 HA2 GLY 46 60.891 5.393 -4.817 320 HA3 GLY 46 HA1 GLY 46 62.384 6.303 -4.995 321 H CYS 47 HN CYS 47 61.248 4.698 -2.805 322 HA CYS 47 HA CYS 47 61.285 6.712 -0.614 323 HB2 CYS 47 HB2 CYS 47 60.214 4.070 0.113 324 HB3 CYS 47 HB1 CYS 47 59.488 5.660 0.314 325 H LEU 48 HN LEU 48 63.455 6.759 -0.225 326 HA LEU 48 HA LEU 48 64.717 4.208 0.641 327 HB2 LEU 48 HB2 LEU 48 66.236 6.654 -0.265 328 HB3 LEU 48 HB1 LEU 48 66.780 4.977 -0.188 329 HG LEU 48 HG LEU 48 64.649 6.025 -2.076 330 HD11 LEU 48 HD11 LEU 48 66.391 5.681 -3.811 331 HD12 LEU 48 HD12 LEU 48 67.547 5.270 -2.547 332 HD13 LEU 48 HD13 LEU 48 66.876 6.895 -2.627 333 HD21 LEU 48 HD21 LEU 48 64.331 3.656 -1.585 334 HD22 LEU 48 HD22 LEU 48 66.046 3.342 -1.817 335 HD23 LEU 48 HD23 LEU 48 65.042 3.797 -3.189 336 H CYS 49 HN CYS 49 66.816 5.036 2.023 337 HA CYS 49 HA CYS 49 65.623 6.323 4.351 338 HB2 CYS 49 HB2 CYS 49 67.760 4.422 3.858 339 HB3 CYS 49 HB1 CYS 49 68.343 5.730 4.888 340 HA PRO 50 HA PRO 50 67.419 10.271 3.781 341 HB2 PRO 50 HB2 PRO 50 68.180 10.999 6.324 342 HB3 PRO 50 HB1 PRO 50 66.486 10.909 5.802 343 HG2 PRO 50 HG2 PRO 50 68.100 8.930 7.355 344 HG3 PRO 50 HG1 PRO 50 66.417 9.441 7.586 345 HD2 PRO 50 HD2 PRO 50 67.089 7.098 6.340 346 HD3 PRO 50 HD1 PRO 50 65.615 8.010 5.945 347 HA PRO 51 HA PRO 51 71.818 10.326 3.190 348 HB2 PRO 51 HB2 PRO 51 72.055 12.826 4.821 349 HB3 PRO 51 HB1 PRO 51 72.590 12.512 3.158 350 HG2 PRO 51 HG2 PRO 51 70.432 13.996 3.676 351 HG3 PRO 51 HG1 PRO 51 70.503 12.916 2.272 352 HD2 PRO 51 HD2 PRO 51 69.015 12.566 4.845 353 HD3 PRO 51 HD1 PRO 51 68.588 12.036 3.206 354 H GLY 52 HN GLY 52 73.694 9.614 4.185 355 HA2 GLY 52 HA2 GLY 52 75.179 9.169 5.956 356 HA3 GLY 52 HA1 GLY 52 73.956 9.714 7.102 357 H MET 53 HN MET 53 71.947 8.054 5.590 358 HA MET 53 HA MET 53 72.691 5.403 6.710 359 HB2 MET 53 HB2 MET 53 69.945 6.664 6.493 360 HB3 MET 53 HB1 MET 53 70.302 5.066 7.144 361 HG2 MET 53 HG2 MET 53 71.302 7.707 8.260 362 HG3 MET 53 HG1 MET 53 70.066 6.684 8.982 363 HE1 MET 53 HE1 MET 53 70.304 4.594 10.004 364 HE2 MET 53 HE2 MET 53 71.776 3.735 10.443 365 HE3 MET 53 HE3 MET 53 71.187 3.672 8.782 366 H VAL 54 HN VAL 54 71.880 3.573 5.649 367 HA VAL 54 HA VAL 54 71.207 3.955 2.798 368 HB VAL 54 HB VAL 54 72.732 2.080 2.270 369 HG11 VAL 54 HG11 VAL 54 74.917 3.268 2.920 370 HG12 VAL 54 HG12 VAL 54 73.884 4.456 3.714 371 HG13 VAL 54 HG13 VAL 54 73.747 4.190 1.980 372 HG21 VAL 54 HG21 VAL 54 74.414 1.765 4.454 373 HG22 VAL 54 HG22 VAL 54 73.123 0.650 4.007 374 HG23 VAL 54 HG23 VAL 54 72.827 1.886 5.211 375 H ARG 55 HN ARG 55 71.037 1.312 2.067 376 HA ARG 55 HA ARG 55 68.861 0.280 3.820 377 HB2 ARG 55 HB2 ARG 55 69.119 0.107 0.805 378 HB3 ARG 55 HB1 ARG 55 67.786 -0.522 1.773 379 HG2 ARG 55 HG2 ARG 55 67.195 1.717 2.508 380 HG3 ARG 55 HG1 ARG 55 68.610 2.391 1.696 381 HD2 ARG 55 HD2 ARG 55 66.403 0.888 0.273 382 HD3 ARG 55 HD1 ARG 55 66.487 2.646 0.380 383 HE ARG 55 HE ARG 55 68.888 2.120 -0.652 384 HH11 ARG 55 HH21 ARG 55 65.765 0.823 -1.408 385 HH12 ARG 55 HH22 ARG 55 66.156 0.486 -3.061 386 HH21 ARG 55 HH11 ARG 55 69.399 1.676 -2.819 387 HH22 ARG 55 HH12 ARG 55 68.207 0.967 -3.857 388 H HIS 56 HN HIS 56 69.432 -1.598 4.742 389 HA HIS 56 HA HIS 56 70.943 -3.573 3.155 390 HB2 HIS 56 HB2 HIS 56 72.667 -2.695 4.497 391 HB3 HIS 56 HB1 HIS 56 71.609 -2.498 5.892 392 HD2 HIS 56 HD2 HIS 56 72.547 -4.374 7.697 393 HE1 HIS 56 HE1 HIS 56 72.838 -7.631 5.057 394 HE2 HIS 56 HE2 HIS 56 73.065 -6.917 7.475 395 H GLU 57 HN GLU 57 69.979 -5.481 3.142 396 HA GLU 57 HA GLU 57 68.373 -7.100 3.611 397 HB2 GLU 57 HB2 GLU 57 70.235 -7.412 5.343 398 HB3 GLU 57 HB1 GLU 57 69.169 -6.594 6.481 399 HG2 GLU 57 HG2 GLU 57 67.452 -8.298 6.145 400 HG3 GLU 57 HG1 GLU 57 68.435 -9.077 4.912 401 H ASN 58 HN ASN 58 67.191 -4.616 3.288 402 HA ASN 58 HA ASN 58 65.156 -3.599 3.603 403 HB2 ASN 58 HB2 ASN 58 64.461 -5.632 5.708 404 HB3 ASN 58 HB1 ASN 58 63.409 -4.829 4.544 405 HD21 ASN 58 HD21 ASN 58 64.817 -5.244 2.144 406 HD22 ASN 58 HD22 ASN 58 64.909 -6.910 1.828 407 H ARG 59 HN ARG 59 67.579 -3.473 5.724 408 HA ARG 59 HA ARG 59 66.096 -1.775 7.649 409 HB2 ARG 59 HB2 ARG 59 67.206 -2.751 9.437 410 HB3 ARG 59 HB1 ARG 59 67.198 -4.131 8.349 411 HG2 ARG 59 HG2 ARG 59 69.546 -3.026 7.565 412 HG3 ARG 59 HG1 ARG 59 69.485 -2.377 9.188 413 HD2 ARG 59 HD2 ARG 59 69.203 -5.320 8.498 414 HD3 ARG 59 HD1 ARG 59 70.690 -4.560 9.058 415 HE ARG 59 HE ARG 59 68.732 -3.908 10.927 416 HH11 ARG 59 HH21 ARG 59 70.231 -6.734 9.615 417 HH12 ARG 59 HH22 ARG 59 70.045 -7.670 11.062 418 HH21 ARG 59 HH11 ARG 59 68.483 -5.120 12.820 419 HH22 ARG 59 HH12 ARG 59 69.054 -6.754 12.880 420 H CYS 60 HN CYS 60 67.264 0.103 8.407 421 HA CYS 60 HA CYS 60 69.332 0.932 6.480 422 HB2 CYS 60 HB2 CYS 60 67.566 2.539 8.314 423 HB3 CYS 60 HB1 CYS 60 68.924 3.228 7.425 424 H VAL 61 HN VAL 61 71.318 1.336 6.994 425 HA VAL 61 HA VAL 61 72.095 1.508 9.840 426 HB VAL 61 HB VAL 61 73.896 -0.045 9.583 427 HG11 VAL 61 HG11 VAL 61 71.568 -0.919 10.044 428 HG12 VAL 61 HG12 VAL 61 72.669 -2.099 9.333 429 HG13 VAL 61 HG13 VAL 61 71.450 -1.317 8.329 430 HG21 VAL 61 HG21 VAL 61 74.016 -1.357 7.369 431 HG22 VAL 61 HG22 VAL 61 74.640 0.292 7.359 432 HG23 VAL 61 HG23 VAL 61 73.047 -0.053 6.682 433 H ALA 62 HN ALA 62 74.086 2.471 10.212 434 HA ALA 62 HA ALA 62 74.728 4.647 8.438 435 HB1 ALA 62 HB1 ALA 62 76.378 3.652 10.748 436 HB2 ALA 62 HB2 ALA 62 74.916 4.615 10.979 437 HB3 ALA 62 HB3 ALA 62 76.284 5.286 10.092 438 H LEU 63 HN LEU 63 76.608 5.068 7.376 439 HA LEU 63 HA LEU 63 77.475 3.093 5.663 440 HB2 LEU 63 HB2 LEU 63 78.639 5.731 6.499 441 HB3 LEU 63 HB1 LEU 63 79.621 4.674 5.491 442 HG LEU 63 HG LEU 63 78.222 6.366 4.245 443 HD11 LEU 63 HD11 LEU 63 78.639 4.898 2.597 444 HD12 LEU 63 HD12 LEU 63 77.100 4.116 2.942 445 HD13 LEU 63 HD13 LEU 63 78.578 3.529 3.695 446 HD21 LEU 63 HD21 LEU 63 75.886 4.562 4.869 447 HD22 LEU 63 HD22 LEU 63 75.870 6.170 4.152 448 HD23 LEU 63 HD23 LEU 63 76.246 5.975 5.860 449 H GLU 64 HN GLU 64 79.222 4.257 8.576 450 HA GLU 64 HA GLU 64 81.376 2.517 8.371 451 HB2 GLU 64 HB2 GLU 64 81.331 2.785 10.980 452 HB3 GLU 64 HB1 GLU 64 81.629 4.197 9.968 453 HG2 GLU 64 HG2 GLU 64 79.375 4.951 10.183 454 HG3 GLU 64 HG1 GLU 64 78.857 3.418 10.881 455 H ARG 65 HN ARG 65 78.079 1.818 8.993 456 HA ARG 65 HA ARG 65 78.712 -0.773 10.262 457 HB2 ARG 65 HB2 ARG 65 76.105 0.723 9.912 458 HB3 ARG 65 HB1 ARG 65 76.244 -0.885 10.612 459 HG2 ARG 65 HG2 ARG 65 77.622 -0.075 12.403 460 HG3 ARG 65 HG1 ARG 65 77.761 1.514 11.647 461 HD2 ARG 65 HD2 ARG 65 75.376 1.880 11.890 462 HD3 ARG 65 HD1 ARG 65 75.173 0.266 12.567 463 HE ARG 65 HE ARG 65 77.064 1.556 14.156 464 HH11 ARG 65 HH21 ARG 65 73.756 1.971 13.219 465 HH12 ARG 65 HH22 ARG 65 73.297 2.754 14.694 466 HH21 ARG 65 HH11 ARG 65 76.469 2.578 16.084 467 HH22 ARG 65 HH12 ARG 65 74.834 3.098 16.317 468 H CYS 66 HN CYS 66 78.343 0.447 7.171 469 HA CYS 66 HA CYS 66 76.575 -1.242 5.897 470 HB2 CYS 66 HB2 CYS 66 79.034 0.209 5.074 471 HB3 CYS 66 HB1 CYS 66 78.455 -1.043 3.990 472 HA PRO 67 HA PRO 67 78.584 -5.222 6.895 473 HB2 PRO 67 HB2 PRO 67 76.843 -6.122 4.634 474 HB3 PRO 67 HB1 PRO 67 77.037 -6.823 6.254 475 HG2 PRO 67 HG2 PRO 67 74.884 -5.381 5.564 476 HG3 PRO 67 HG1 PRO 67 75.541 -5.366 7.206 477 HD2 PRO 67 HD2 PRO 67 75.662 -3.253 5.108 478 HD3 PRO 67 HD1 PRO 67 75.719 -3.101 6.880 479 H CYS 68 HN CYS 68 79.949 -6.720 5.786 480 HA CYS 68 HA CYS 68 81.161 -5.612 3.290 481 HB2 CYS 68 HB2 CYS 68 82.277 -7.073 5.643 482 HB3 CYS 68 HB1 CYS 68 83.077 -7.239 4.079 483 H PHE 69 HN PHE 69 82.140 -7.247 1.855 484 HA PHE 69 HA PHE 69 80.664 -9.810 1.800 485 HB2 PHE 69 HB2 PHE 69 81.010 -8.029 -0.626 486 HB3 PHE 69 HB1 PHE 69 80.131 -9.555 -0.544 487 HD1 PHE 69 HD1 PHE 69 80.123 -6.002 0.432 488 HD2 PHE 69 HD2 PHE 69 77.919 -9.692 0.508 489 HE1 PHE 69 HE1 PHE 69 78.074 -4.769 1.098 490 HE2 PHE 69 HE2 PHE 69 75.868 -8.450 1.176 491 HZ PHE 69 HZ PHE 69 75.954 -5.982 1.452 492 H HIS 70 HN HIS 70 81.898 -11.483 1.370 493 HA HIS 70 HA HIS 70 84.337 -11.225 -0.220 494 HB2 HIS 70 HB2 HIS 70 85.218 -10.692 1.954 495 HB3 HIS 70 HB1 HIS 70 84.370 -12.051 2.692 496 HD2 HIS 70 HD2 HIS 70 85.763 -14.454 2.600 497 HE1 HIS 70 HE1 HIS 70 88.814 -13.233 -0.044 498 HE2 HIS 70 HE2 HIS 70 88.010 -15.120 1.450 499 H GLN 71 HN GLN 71 83.814 -12.717 -1.704 500 HA GLN 71 HA GLN 71 83.805 -14.863 -2.569 501 HB2 GLN 71 HB2 GLN 71 84.915 -15.460 -0.266 502 HB3 GLN 71 HB1 GLN 71 83.315 -16.063 0.151 503 HG2 GLN 71 HG2 GLN 71 83.333 -17.520 -1.831 504 HG3 GLN 71 HG1 GLN 71 84.945 -16.936 -2.247 505 HE21 GLN 71 HE21 GLN 71 86.596 -18.266 -1.485 506 HE22 GLN 71 HE22 GLN 71 86.492 -19.256 -0.111 507 H GLY 72 HN GLY 72 81.477 -13.185 -2.332 508 HA2 GLY 72 HA2 GLY 72 79.252 -13.409 -2.897 509 HA3 GLY 72 HA1 GLY 72 79.444 -15.156 -2.800 510 H LYS 73 HN LYS 73 80.655 -14.137 0.026 511 HA LYS 73 HA LYS 73 78.077 -14.483 1.436 512 HB2 LYS 73 HB2 LYS 73 80.909 -15.232 2.002 513 HB3 LYS 73 HB1 LYS 73 79.932 -14.777 3.395 514 HG2 LYS 73 HG2 LYS 73 78.845 -16.738 1.385 515 HG3 LYS 73 HG1 LYS 73 79.978 -17.280 2.620 516 HD2 LYS 73 HD2 LYS 73 78.502 -16.376 4.380 517 HD3 LYS 73 HD1 LYS 73 77.358 -15.843 3.150 518 HE2 LYS 73 HE2 LYS 73 77.049 -18.164 2.409 519 HE3 LYS 73 HE1 LYS 73 78.214 -18.712 3.615 520 HZ1 LYS 73 HZ1 LYS 73 75.565 -18.529 4.020 521 HZ2 LYS 73 HZ2 LYS 73 76.101 -17.051 4.663 522 HZ3 LYS 73 HZ3 LYS 73 76.728 -18.517 5.254 523 H GLU 74 HN GLU 74 77.435 -13.096 3.024 524 HA GLU 74 HA GLU 74 78.701 -10.439 2.943 525 HB2 GLU 74 HB2 GLU 74 76.279 -10.603 2.461 526 HB3 GLU 74 HB1 GLU 74 76.017 -11.272 4.071 527 HG2 GLU 74 HG2 GLU 74 76.892 -9.229 5.098 528 HG3 GLU 74 HG1 GLU 74 77.251 -8.563 3.505 529 H TYR 75 HN TYR 75 79.850 -9.690 4.566 530 HA TYR 75 HA TYR 75 79.754 -11.074 7.189 531 HB2 TYR 75 HB2 TYR 75 82.043 -9.557 5.939 532 HB3 TYR 75 HB1 TYR 75 82.073 -10.416 7.479 533 HD1 TYR 75 HD1 TYR 75 81.488 -10.868 3.840 534 HD2 TYR 75 HD2 TYR 75 82.520 -12.744 7.557 535 HE1 TYR 75 HE1 TYR 75 82.017 -12.956 2.635 536 HE2 TYR 75 HE2 TYR 75 83.055 -14.840 6.345 537 HH TYR 75 HH TYR 75 83.516 -15.685 4.254 538 H ALA 76 HN ALA 76 80.734 -9.512 8.914 539 HA ALA 76 HA ALA 76 79.316 -6.936 8.678 540 HB1 ALA 76 HB1 ALA 76 78.477 -7.257 10.789 541 HB2 ALA 76 HB2 ALA 76 79.930 -8.082 11.359 542 HB3 ALA 76 HB3 ALA 76 78.750 -8.948 10.381 543 HA PRO 77 HA PRO 77 83.009 -4.689 9.691 544 HB2 PRO 77 HB2 PRO 77 81.754 -3.437 12.094 545 HB3 PRO 77 HB1 PRO 77 82.378 -2.666 10.623 546 HG2 PRO 77 HG2 PRO 77 79.758 -2.833 11.101 547 HG3 PRO 77 HG1 PRO 77 80.411 -2.997 9.459 548 HD2 PRO 77 HD2 PRO 77 79.465 -5.154 11.334 549 HD3 PRO 77 HD1 PRO 77 79.211 -4.981 9.585 550 H GLY 78 HN GLY 78 84.887 -5.122 10.825 551 HA2 GLY 78 HA2 GLY 78 86.268 -5.784 12.581 552 HA3 GLY 78 HA1 GLY 78 84.840 -5.939 13.600 553 H GLU 79 HN GLU 79 84.089 -7.567 10.883 554 HA GLU 79 HA GLU 79 84.544 -10.149 12.142 555 HB2 GLU 79 HB2 GLU 79 82.448 -9.344 10.762 556 HB3 GLU 79 HB1 GLU 79 83.414 -9.819 9.366 557 HG2 GLU 79 HG2 GLU 79 83.714 -12.071 10.367 558 HG3 GLU 79 HG1 GLU 79 82.701 -11.585 11.723 559 H THR 80 HN THR 80 86.175 -11.475 11.724 560 HA THR 80 HA THR 80 88.103 -10.754 9.597 561 HB THR 80 HB THR 80 89.748 -11.415 11.029 562 HG1 THR 80 HG1 THR 80 89.771 -13.359 11.903 563 HG21 THR 80 HG21 THR 80 87.499 -11.466 13.041 564 HG22 THR 80 HG22 THR 80 88.253 -9.996 12.436 565 HG23 THR 80 HG23 THR 80 89.201 -11.145 13.371 566 H VAL 81 HN VAL 81 88.891 -12.128 8.212 567 HA VAL 81 HA VAL 81 87.838 -14.879 8.118 568 HB VAL 81 HB VAL 81 87.393 -14.677 5.712 569 HG11 VAL 81 HG11 VAL 81 86.041 -12.437 7.235 570 HG12 VAL 81 HG12 VAL 81 85.636 -14.142 7.437 571 HG13 VAL 81 HG13 VAL 81 85.380 -13.352 5.881 572 HG21 VAL 81 HG21 VAL 81 88.207 -11.783 6.163 573 HG22 VAL 81 HG22 VAL 81 87.359 -12.346 4.723 574 HG23 VAL 81 HG23 VAL 81 88.978 -12.946 5.082 575 H LYS 82 HN LYS 82 89.217 -16.345 6.889 576 HA LYS 82 HA LYS 82 91.981 -15.403 6.852 577 HB2 LYS 82 HB2 LYS 82 91.254 -17.428 8.194 578 HB3 LYS 82 HB1 LYS 82 90.899 -18.217 6.661 579 HG2 LYS 82 HG2 LYS 82 93.077 -18.949 7.001 580 HG3 LYS 82 HG1 LYS 82 93.384 -17.489 6.063 581 HD2 LYS 82 HD2 LYS 82 93.670 -16.232 8.216 582 HD3 LYS 82 HD1 LYS 82 93.496 -17.760 9.082 583 HE2 LYS 82 HE2 LYS 82 95.600 -17.207 6.972 584 HE3 LYS 82 HE1 LYS 82 95.882 -17.139 8.711 585 HZ1 LYS 82 HZ1 LYS 82 95.159 -19.492 7.067 586 HZ2 LYS 82 HZ2 LYS 82 95.006 -19.489 8.759 587 HZ3 LYS 82 HZ3 LYS 82 96.530 -19.275 8.042 588 H ILE 83 HN ILE 83 93.045 -15.183 4.981 589 HA ILE 83 HA ILE 83 91.921 -16.453 2.529 590 HB ILE 83 HB ILE 83 93.109 -13.668 2.725 591 HG12 ILE 83 HG12 ILE 83 90.252 -14.524 2.153 592 HG13 ILE 83 HG11 ILE 83 90.806 -13.961 3.730 593 HG21 ILE 83 HG21 ILE 83 92.292 -13.516 0.368 594 HG22 ILE 83 HG22 ILE 83 91.863 -15.224 0.436 595 HG23 ILE 83 HG23 ILE 83 93.552 -14.735 0.567 596 HD11 ILE 83 HD11 ILE 83 89.914 -12.023 2.695 597 HD12 ILE 83 HD12 ILE 83 90.647 -12.414 1.140 598 HD13 ILE 83 HD13 ILE 83 91.656 -11.867 2.475 599 H GLY 84 HN GLY 84 93.368 -18.029 2.116 600 HA2 GLY 84 HA2 GLY 84 95.372 -19.012 1.520 601 HA3 GLY 84 HA1 GLY 84 95.992 -17.386 1.247 602 H CYS 85 HN CYS 85 97.652 -16.816 2.508 603 HA CYS 85 HA CYS 85 98.066 -18.227 5.077 604 HB2 CYS 85 HB2 CYS 85 100.396 -17.321 4.875 605 HB3 CYS 85 HB1 CYS 85 99.942 -18.483 3.631 606 H ASN 86 HN ASN 86 96.629 -15.540 4.025 607 HA ASN 86 HA ASN 86 97.387 -13.945 6.422 608 HB2 ASN 86 HB2 ASN 86 96.843 -11.929 5.035 609 HB3 ASN 86 HB1 ASN 86 98.299 -12.783 4.530 610 HD21 ASN 86 HD21 ASN 86 98.396 -12.899 2.301 611 HD22 ASN 86 HD22 ASN 86 97.065 -13.133 1.275 612 H THR 87 HN THR 87 95.770 -12.460 7.076 613 HA THR 87 HA THR 87 92.972 -13.407 6.644 614 HB THR 87 HB THR 87 94.229 -13.864 8.895 615 HG1 THR 87 HG1 THR 87 92.220 -13.891 9.851 616 HG21 THR 87 HG21 THR 87 93.003 -11.200 9.561 617 HG22 THR 87 HG22 THR 87 94.707 -11.333 9.124 618 HG23 THR 87 HG23 THR 87 94.091 -12.178 10.544 619 H CYS 88 HN CYS 88 91.337 -11.972 6.788 620 HA CYS 88 HA CYS 88 92.106 -9.114 6.686 621 HB2 CYS 88 HB2 CYS 88 91.301 -10.699 4.471 622 HB3 CYS 88 HB1 CYS 88 89.916 -9.686 4.840 623 H VAL 89 HN VAL 89 90.567 -7.628 7.255 624 HA VAL 89 HA VAL 89 88.144 -8.681 8.558 625 HB VAL 89 HB VAL 89 90.102 -8.130 10.144 626 HG11 VAL 89 HG11 VAL 89 90.564 -5.952 8.924 627 HG12 VAL 89 HG12 VAL 89 90.472 -5.844 10.679 628 HG13 VAL 89 HG13 VAL 89 89.114 -5.316 9.689 629 HG21 VAL 89 HG21 VAL 89 87.450 -6.732 10.534 630 HG22 VAL 89 HG22 VAL 89 88.574 -7.217 11.803 631 HG23 VAL 89 HG23 VAL 89 87.752 -8.437 10.842 632 H CYS 90 HN CYS 90 86.345 -7.467 8.358 633 HA CYS 90 HA CYS 90 86.195 -5.518 6.262 634 HB2 CYS 90 HB2 CYS 90 84.332 -6.987 6.673 635 HB3 CYS 90 HB1 CYS 90 84.239 -6.487 8.359 636 H ARG 91 HN ARG 91 87.000 -3.595 6.509 637 HA ARG 91 HA ARG 91 86.177 -1.962 8.810 638 HB2 ARG 91 HB2 ARG 91 88.979 -2.572 7.918 639 HB3 ARG 91 HB1 ARG 91 88.626 -0.996 8.623 640 HG2 ARG 91 HG2 ARG 91 87.710 -3.504 10.029 641 HG3 ARG 91 HG1 ARG 91 89.383 -2.970 10.187 642 HD2 ARG 91 HD2 ARG 91 88.559 -0.739 10.940 643 HD3 ARG 91 HD1 ARG 91 86.911 -1.349 10.877 644 HE ARG 91 HE ARG 91 88.781 -2.859 12.539 645 HH11 ARG 91 HH21 ARG 91 86.303 -0.445 12.293 646 HH12 ARG 91 HH22 ARG 91 85.860 -0.537 13.965 647 HH21 ARG 91 HH11 ARG 91 88.200 -2.973 14.735 648 HH22 ARG 91 HH12 ARG 91 86.932 -1.961 15.343 649 H ASP 92 HN ASP 92 85.166 -0.267 8.006 650 HA ASP 92 HA ASP 92 84.601 1.496 6.674 651 HB2 ASP 92 HB2 ASP 92 87.112 1.963 6.969 652 HB3 ASP 92 HB1 ASP 92 87.303 1.275 5.359 653 H ARG 93 HN ARG 93 83.593 -0.842 5.901 654 HA ARG 93 HA ARG 93 82.682 -1.976 4.124 655 HB2 ARG 93 HB2 ARG 93 83.286 0.695 2.853 656 HB3 ARG 93 HB1 ARG 93 82.431 -0.594 2.008 657 HG2 ARG 93 HG2 ARG 93 80.707 -0.625 3.719 658 HG3 ARG 93 HG1 ARG 93 81.565 0.596 4.657 659 HD2 ARG 93 HD2 ARG 93 80.610 1.028 1.816 660 HD3 ARG 93 HD1 ARG 93 79.685 1.512 3.236 661 HE ARG 93 HE ARG 93 82.100 2.683 3.660 662 HH11 ARG 93 HH21 ARG 93 79.922 2.556 0.975 663 HH12 ARG 93 HH22 ARG 93 80.353 4.123 0.376 664 HH21 ARG 93 HH11 ARG 93 82.664 4.743 2.883 665 HH22 ARG 93 HH12 ARG 93 81.900 5.363 1.458 666 H LYS 94 HN LYS 94 85.857 -1.592 4.419 667 HA LYS 94 HA LYS 94 86.450 -3.043 1.912 668 HB2 LYS 94 HB2 LYS 94 87.289 -0.695 1.844 669 HB3 LYS 94 HB1 LYS 94 88.204 -1.005 3.320 670 HG2 LYS 94 HG2 LYS 94 89.487 -2.754 2.202 671 HG3 LYS 94 HG1 LYS 94 88.525 -2.559 0.736 672 HD2 LYS 94 HD2 LYS 94 89.320 -0.226 0.532 673 HD3 LYS 94 HD1 LYS 94 90.298 -0.439 1.986 674 HE2 LYS 94 HE2 LYS 94 91.700 -0.781 0.011 675 HE3 LYS 94 HE1 LYS 94 91.501 -2.310 0.867 676 HZ1 LYS 94 HZ1 LYS 94 90.320 -3.192 -0.802 677 HZ2 LYS 94 HZ2 LYS 94 91.044 -1.981 -1.747 678 HZ3 LYS 94 HZ3 LYS 94 89.479 -1.754 -1.125 679 H TRP 95 HN TRP 95 88.203 -4.532 2.122 680 HA TRP 95 HA TRP 95 88.375 -5.707 4.807 681 HB2 TRP 95 HB2 TRP 95 89.008 -6.668 2.014 682 HB3 TRP 95 HB1 TRP 95 89.433 -7.583 3.454 683 HD1 TRP 95 HD1 TRP 95 86.540 -6.717 1.234 684 HE1 TRP 95 HE1 TRP 95 84.434 -7.969 2.046 685 HE3 TRP 95 HE3 TRP 95 88.213 -8.415 5.752 686 HZ2 TRP 95 HZ2 TRP 95 83.599 -9.521 4.279 687 HZ3 TRP 95 HZ3 TRP 95 86.741 -9.807 7.186 688 HH2 TRP 95 HH2 TRP 95 84.437 -10.342 6.472 689 H ASN 96 HN ASN 96 90.215 -5.708 5.966 690 HA ASN 96 HA ASN 96 92.650 -4.496 4.738 691 HB2 ASN 96 HB2 ASN 96 91.618 -4.456 7.566 692 HB3 ASN 96 HB1 ASN 96 93.272 -4.021 7.153 693 HD21 ASN 96 HD21 ASN 96 91.416 -2.133 8.287 694 HD22 ASN 96 HD22 ASN 96 91.103 -0.943 7.117 695 H CYS 97 HN CYS 97 93.861 -6.159 4.078 696 HA CYS 97 HA CYS 97 93.994 -8.606 5.633 697 HB2 CYS 97 HB2 CYS 97 95.175 -7.802 2.993 698 HB3 CYS 97 HB1 CYS 97 95.523 -9.343 3.772 699 H THR 98 HN THR 98 95.527 -9.373 6.754 700 HA THR 98 HA THR 98 97.469 -7.700 7.908 701 HB THR 98 HB THR 98 96.944 -10.637 7.900 702 HG1 THR 98 HG1 THR 98 96.386 -10.216 10.001 703 HG21 THR 98 HG21 THR 98 98.722 -10.527 9.845 704 HG22 THR 98 HG22 THR 98 99.381 -9.207 8.880 705 HG23 THR 98 HG23 THR 98 99.215 -10.818 8.183 706 H ASP 99 HN ASP 99 97.646 -10.119 5.434 707 HA ASP 99 HA ASP 99 99.219 -10.598 3.833 708 HB2 ASP 99 HB2 ASP 99 98.540 -8.195 3.297 709 HB3 ASP 99 HB1 ASP 99 100.037 -7.703 4.087 710 H HIS 100 HN HIS 100 100.017 -10.882 6.649 711 HA HIS 100 HA HIS 100 102.766 -10.102 6.930 712 HB2 HIS 100 HB2 HIS 100 102.838 -11.639 8.828 713 HB3 HIS 100 HB1 HIS 100 101.388 -10.644 8.911 714 HD2 HIS 100 HD2 HIS 100 99.708 -12.659 6.658 715 HE1 HIS 100 HE1 HIS 100 100.172 -15.497 9.747 716 HE2 HIS 100 HE2 HIS 100 98.903 -14.945 7.622 717 H VAL 101 HN VAL 101 104.463 -11.887 7.346 718 HA VAL 101 HA VAL 101 105.337 -13.055 5.076 719 HB VAL 101 HB VAL 101 105.535 -14.584 7.668 720 HG11 VAL 101 HG11 VAL 101 106.600 -15.383 5.491 721 HG12 VAL 101 HG12 VAL 101 107.699 -15.191 6.857 722 HG13 VAL 101 HG13 VAL 101 107.645 -13.965 5.591 723 HG21 VAL 101 HG21 VAL 101 105.899 -12.346 8.389 724 HG22 VAL 101 HG22 VAL 101 106.780 -11.935 6.917 725 HG23 VAL 101 HG23 VAL 101 107.511 -13.006 8.114 726 H CYS 102 HN CYS 102 104.644 -14.556 3.706 727 HA CYS 102 HA CYS 102 102.282 -16.112 4.297 728 HB2 CYS 102 HB2 CYS 102 102.909 -15.013 2.065 729 HB3 CYS 102 HB1 CYS 102 103.990 -16.385 1.839 730 H ASP 103 HN ASP 103 103.418 -17.225 6.098 731 HA ASP 103 HA ASP 103 105.413 -19.203 5.461 732 HB2 ASP 103 HB2 ASP 103 105.258 -18.163 7.705 733 HB3 ASP 103 HB1 ASP 103 103.692 -18.936 7.936 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 50.454 8.862 -2.696 2 H2 GLY 1 HT2 GLY 1 51.828 9.858 -2.762 3 H3 GLY 1 HT3 GLY 1 51.987 8.210 -2.379 4 HA2 GLY 1 HA2 GLY 1 50.679 8.247 -4.800 5 HA3 GLY 1 HA1 GLY 1 51.950 9.465 -4.924 6 H ALA 2 HN ALA 2 52.507 6.993 -2.626 7 HA ALA 2 HA ALA 2 54.846 6.073 -3.974 8 HB1 ALA 2 HB1 ALA 2 53.452 4.674 -1.690 9 HB2 ALA 2 HB2 ALA 2 54.439 6.119 -1.458 10 HB3 ALA 2 HB3 ALA 2 55.168 4.645 -2.098 11 H MET 3 HN MET 3 55.218 4.226 -5.129 12 HA MET 3 HA MET 3 52.987 2.331 -5.520 13 HB2 MET 3 HB2 MET 3 54.508 3.743 -7.725 14 HB3 MET 3 HB1 MET 3 53.469 2.339 -7.974 15 HG2 MET 3 HG2 MET 3 51.551 3.573 -7.051 16 HG3 MET 3 HG1 MET 3 52.581 4.978 -6.770 17 HE1 MET 3 HE1 MET 3 50.376 6.190 -9.685 18 HE2 MET 3 HE2 MET 3 51.324 6.783 -8.324 19 HE3 MET 3 HE3 MET 3 50.139 5.502 -8.070 20 H GLY 4 HN GLY 4 53.601 0.248 -5.967 21 HA2 GLY 4 HA2 GLY 4 55.001 -1.573 -6.269 22 HA3 GLY 4 HA1 GLY 4 56.329 -0.458 -6.578 23 H SER 5 HN SER 5 54.636 0.264 -3.731 24 HA SER 5 HA SER 5 55.376 0.314 -1.542 25 HB2 SER 5 HB2 SER 5 55.942 -2.104 -0.739 26 HB3 SER 5 HB1 SER 5 54.315 -1.757 -1.314 27 HG SER 5 HG SER 5 55.013 -2.529 -3.382 28 H CYS 6 HN CYS 6 57.230 1.618 -1.779 29 HA CYS 6 HA CYS 6 59.796 0.390 -2.372 30 HB2 CYS 6 HB2 CYS 6 60.701 2.637 -2.062 31 HB3 CYS 6 HB1 CYS 6 59.281 2.694 -3.106 32 H ARG 7 HN ARG 7 58.539 -0.796 -0.161 33 HA ARG 7 HA ARG 7 58.912 -1.444 2.004 34 HB2 ARG 7 HB2 ARG 7 61.563 -0.598 0.942 35 HB3 ARG 7 HB1 ARG 7 61.478 -0.752 2.686 36 HG2 ARG 7 HG2 ARG 7 62.156 -2.890 1.737 37 HG3 ARG 7 HG1 ARG 7 60.529 -3.059 2.385 38 HD2 ARG 7 HD2 ARG 7 60.763 -4.064 0.115 39 HD3 ARG 7 HD1 ARG 7 59.562 -2.773 0.169 40 HE ARG 7 HE ARG 7 60.889 -1.588 -1.309 41 HH11 ARG 7 HH21 ARG 7 62.744 -3.981 0.361 42 HH12 ARG 7 HH22 ARG 7 64.192 -3.693 -0.546 43 HH21 ARG 7 HH11 ARG 7 62.784 -1.198 -2.502 44 HH22 ARG 7 HH12 ARG 7 64.213 -2.116 -2.169 45 HA PRO 8 HA PRO 8 57.867 1.472 5.116 46 HB2 PRO 8 HB2 PRO 8 60.629 1.099 6.239 47 HB3 PRO 8 HB1 PRO 8 59.067 1.119 7.080 48 HG2 PRO 8 HG2 PRO 8 60.416 -1.176 6.390 49 HG3 PRO 8 HG1 PRO 8 58.667 -1.088 6.655 50 HD2 PRO 8 HD2 PRO 8 60.046 -1.617 4.166 51 HD3 PRO 8 HD1 PRO 8 58.300 -1.555 4.438 52 HA PRO 9 HA PRO 9 60.214 4.777 2.970 53 HB2 PRO 9 HB2 PRO 9 58.251 6.651 2.816 54 HB3 PRO 9 HB1 PRO 9 58.283 5.235 1.751 55 HG2 PRO 9 HG2 PRO 9 56.643 5.713 4.188 56 HG3 PRO 9 HG1 PRO 9 56.192 4.944 2.656 57 HD2 PRO 9 HD2 PRO 9 56.880 3.547 4.957 58 HD3 PRO 9 HD1 PRO 9 56.995 2.875 3.315 59 H MET 10 HN MET 10 61.418 6.477 3.761 60 HA MET 10 HA MET 10 60.679 7.568 6.414 61 HB2 MET 10 HB2 MET 10 63.558 7.404 5.598 62 HB3 MET 10 HB1 MET 10 62.836 7.306 7.204 63 HG2 MET 10 HG2 MET 10 63.572 5.103 6.751 64 HG3 MET 10 HG1 MET 10 61.841 5.058 6.412 65 HE1 MET 10 HE1 MET 10 62.890 2.920 5.638 66 HE2 MET 10 HE2 MET 10 64.459 3.010 4.849 67 HE3 MET 10 HE3 MET 10 63.032 2.617 3.900 68 H VAL 11 HN VAL 11 62.397 8.113 3.332 69 HA VAL 11 HA VAL 11 61.822 11.016 3.612 70 HB VAL 11 HB VAL 11 64.289 10.045 2.196 71 HG11 VAL 11 HG11 VAL 11 63.684 12.571 3.763 72 HG12 VAL 11 HG12 VAL 11 63.501 12.417 2.015 73 HG13 VAL 11 HG13 VAL 11 65.097 12.271 2.752 74 HG21 VAL 11 HG21 VAL 11 65.444 10.551 4.452 75 HG22 VAL 11 HG22 VAL 11 64.632 8.998 4.268 76 HG23 VAL 11 HG23 VAL 11 63.851 10.299 5.165 77 H LYS 12 HN LYS 12 60.475 11.568 2.059 78 HA LYS 12 HA LYS 12 60.208 9.977 -0.358 79 HB2 LYS 12 HB2 LYS 12 58.225 10.878 0.864 80 HB3 LYS 12 HB1 LYS 12 58.757 12.506 0.451 81 HG2 LYS 12 HG2 LYS 12 58.595 11.986 -1.938 82 HG3 LYS 12 HG1 LYS 12 58.123 10.328 -1.559 83 HD2 LYS 12 HD2 LYS 12 56.118 11.170 -0.388 84 HD3 LYS 12 HD1 LYS 12 56.583 12.825 -0.784 85 HE2 LYS 12 HE2 LYS 12 56.460 12.274 -3.193 86 HE3 LYS 12 HE1 LYS 12 55.966 10.631 -2.787 87 HZ1 LYS 12 HZ1 LYS 12 54.419 12.730 -1.531 88 HZ2 LYS 12 HZ2 LYS 12 53.903 11.287 -2.263 89 HZ3 LYS 12 HZ3 LYS 12 54.265 12.644 -3.218 90 H LEU 13 HN LEU 13 61.021 10.450 -2.274 91 HA LEU 13 HA LEU 13 62.088 13.163 -2.792 92 HB2 LEU 13 HB2 LEU 13 64.081 12.267 -3.740 93 HB3 LEU 13 HB1 LEU 13 63.876 11.496 -2.172 94 HG LEU 13 HG LEU 13 62.535 9.698 -3.736 95 HD11 LEU 13 HD11 LEU 13 63.369 9.468 -5.884 96 HD12 LEU 13 HD12 LEU 13 64.872 10.310 -5.512 97 HD13 LEU 13 HD13 LEU 13 63.389 11.221 -5.744 98 HD21 LEU 13 HD21 LEU 13 65.527 9.717 -3.367 99 HD22 LEU 13 HD22 LEU 13 64.508 8.299 -3.627 100 HD23 LEU 13 HD23 LEU 13 64.361 9.229 -2.136 101 H VAL 14 HN VAL 14 61.184 14.000 -4.534 102 HA VAL 14 HA VAL 14 60.181 12.188 -6.625 103 HB VAL 14 HB VAL 14 58.448 13.939 -7.059 104 HG11 VAL 14 HG11 VAL 14 58.098 11.969 -5.502 105 HG12 VAL 14 HG12 VAL 14 57.052 13.354 -5.190 106 HG13 VAL 14 HG13 VAL 14 58.454 13.062 -4.163 107 HG21 VAL 14 HG21 VAL 14 59.589 15.895 -6.209 108 HG22 VAL 14 HG22 VAL 14 59.719 15.177 -4.603 109 HG23 VAL 14 HG23 VAL 14 58.141 15.654 -5.231 110 H CYS 15 HN CYS 15 60.043 13.223 -8.785 111 HA CYS 15 HA CYS 15 62.447 14.891 -9.248 112 HB2 CYS 15 HB2 CYS 15 60.933 13.002 -11.048 113 HB3 CYS 15 HB1 CYS 15 62.311 13.980 -11.559 114 HA PRO 16 HA PRO 16 59.169 18.077 -9.939 115 HB2 PRO 16 HB2 PRO 16 61.634 19.527 -10.819 116 HB3 PRO 16 HB1 PRO 16 60.306 20.094 -9.789 117 HG2 PRO 16 HG2 PRO 16 62.681 19.353 -8.777 118 HG3 PRO 16 HG1 PRO 16 61.158 19.086 -7.916 119 HD2 PRO 16 HD2 PRO 16 62.938 17.122 -9.231 120 HD3 PRO 16 HD1 PRO 16 61.769 16.875 -7.934 121 H ALA 17 HN ALA 17 58.907 19.648 -11.936 122 HA ALA 17 HA ALA 17 58.477 18.104 -14.221 123 HB1 ALA 17 HB1 ALA 17 57.979 20.193 -15.351 124 HB2 ALA 17 HB2 ALA 17 58.816 21.103 -14.094 125 HB3 ALA 17 HB3 ALA 17 57.317 20.254 -13.718 126 H ASP 18 HN ASP 18 61.047 20.425 -13.450 127 HA ASP 18 HA ASP 18 62.541 19.507 -15.807 128 HB2 ASP 18 HB2 ASP 18 62.245 21.978 -15.350 129 HB3 ASP 18 HB1 ASP 18 63.280 21.760 -13.942 130 H ASN 19 HN ASN 19 62.127 18.476 -12.800 131 HA ASN 19 HA ASN 19 63.326 17.193 -11.347 132 HB2 ASN 19 HB2 ASN 19 65.264 16.938 -13.626 133 HB3 ASN 19 HB1 ASN 19 65.159 15.887 -12.216 134 HD21 ASN 19 HD21 ASN 19 64.791 14.939 -14.937 135 HD22 ASN 19 HD22 ASN 19 63.185 14.406 -15.073 136 H LEU 20 HN LEU 20 63.632 19.559 -10.464 137 HA LEU 20 HA LEU 20 66.524 20.132 -10.303 138 HB2 LEU 20 HB2 LEU 20 65.842 22.452 -9.667 139 HB3 LEU 20 HB1 LEU 20 65.401 22.000 -11.311 140 HG LEU 20 HG LEU 20 63.370 21.462 -9.170 141 HD11 LEU 20 HD11 LEU 20 63.844 24.242 -10.258 142 HD12 LEU 20 HD12 LEU 20 64.168 23.729 -8.602 143 HD13 LEU 20 HD13 LEU 20 62.514 23.739 -9.214 144 HD21 LEU 20 HD21 LEU 20 63.156 21.018 -11.717 145 HD22 LEU 20 HD22 LEU 20 62.969 22.760 -11.867 146 HD23 LEU 20 HD23 LEU 20 61.811 21.836 -10.915 147 H ARG 21 HN ARG 21 64.790 18.293 -8.634 148 HA ARG 21 HA ARG 21 65.123 19.573 -5.990 149 HB2 ARG 21 HB2 ARG 21 62.946 18.520 -6.549 150 HB3 ARG 21 HB1 ARG 21 63.766 16.975 -6.737 151 HG2 ARG 21 HG2 ARG 21 64.545 17.135 -4.387 152 HG3 ARG 21 HG1 ARG 21 63.656 18.649 -4.214 153 HD2 ARG 21 HD2 ARG 21 62.394 16.013 -5.002 154 HD3 ARG 21 HD1 ARG 21 62.398 16.655 -3.365 155 HE ARG 21 HE ARG 21 60.716 17.515 -5.538 156 HH11 ARG 21 HH21 ARG 21 62.342 18.454 -2.633 157 HH12 ARG 21 HH22 ARG 21 61.240 19.739 -2.266 158 HH21 ARG 21 HH11 ARG 21 59.263 19.198 -5.063 159 HH22 ARG 21 HH12 ARG 21 59.497 20.161 -3.642 160 H ALA 22 HN ALA 22 66.025 16.696 -7.868 161 HA ALA 22 HA ALA 22 67.535 15.404 -5.877 162 HB1 ALA 22 HB1 ALA 22 68.476 14.094 -7.645 163 HB2 ALA 22 HB2 ALA 22 68.119 15.337 -8.841 164 HB3 ALA 22 HB3 ALA 22 66.806 14.430 -8.095 165 H GLU 23 HN GLU 23 69.617 15.574 -5.203 166 HA GLU 23 HA GLU 23 71.614 17.059 -6.606 167 HB2 GLU 23 HB2 GLU 23 71.861 18.924 -5.078 168 HB3 GLU 23 HB1 GLU 23 70.219 18.919 -5.720 169 HG2 GLU 23 HG2 GLU 23 69.485 17.683 -3.657 170 HG3 GLU 23 HG1 GLU 23 71.108 17.903 -3.006 171 H GLY 24 HN GLY 24 73.597 16.427 -5.950 172 HA2 GLY 24 HA2 GLY 24 75.264 15.472 -4.666 173 HA3 GLY 24 HA1 GLY 24 74.213 15.655 -3.266 174 H LEU 25 HN LEU 25 72.022 14.159 -4.544 175 HA LEU 25 HA LEU 25 73.145 11.415 -4.479 176 HB2 LEU 25 HB2 LEU 25 70.536 12.388 -3.285 177 HB3 LEU 25 HB1 LEU 25 71.097 10.717 -3.307 178 HG LEU 25 HG LEU 25 72.547 13.023 -1.972 179 HD11 LEU 25 HD11 LEU 25 70.486 12.479 -0.788 180 HD12 LEU 25 HD12 LEU 25 71.860 11.868 0.131 181 HD13 LEU 25 HD13 LEU 25 70.879 10.761 -0.831 182 HD21 LEU 25 HD21 LEU 25 74.244 11.487 -2.451 183 HD22 LEU 25 HD22 LEU 25 73.160 10.097 -2.361 184 HD23 LEU 25 HD23 LEU 25 73.700 10.895 -0.884 185 H GLU 26 HN GLU 26 72.255 9.932 -5.868 186 HA GLU 26 HA GLU 26 70.096 10.831 -7.670 187 HB2 GLU 26 HB2 GLU 26 72.802 9.777 -8.518 188 HB3 GLU 26 HB1 GLU 26 71.406 9.872 -9.591 189 HG2 GLU 26 HG2 GLU 26 71.272 12.285 -9.274 190 HG3 GLU 26 HG1 GLU 26 72.578 12.231 -8.093 191 H CYS 27 HN CYS 27 68.964 9.116 -8.694 192 HA CYS 27 HA CYS 27 67.787 7.133 -8.446 193 HB2 CYS 27 HB2 CYS 27 69.054 5.237 -9.160 194 HB3 CYS 27 HB1 CYS 27 69.748 6.639 -9.975 195 H THR 28 HN THR 28 69.404 4.739 -7.351 196 HA THR 28 HA THR 28 68.469 5.027 -4.603 197 HB THR 28 HB THR 28 68.951 2.652 -4.409 198 HG1 THR 28 HG1 THR 28 70.874 2.836 -5.774 199 HG21 THR 28 HG21 THR 28 67.768 3.095 -7.153 200 HG22 THR 28 HG22 THR 28 66.900 3.512 -5.676 201 HG23 THR 28 HG23 THR 28 67.362 1.839 -5.984 202 H LYS 29 HN LYS 29 69.939 4.179 -2.846 203 HA LYS 29 HA LYS 29 72.791 4.640 -3.282 204 HB2 LYS 29 HB2 LYS 29 71.979 6.867 -2.726 205 HB3 LYS 29 HB1 LYS 29 71.139 6.240 -1.314 206 HG2 LYS 29 HG2 LYS 29 73.940 5.444 -1.218 207 HG3 LYS 29 HG1 LYS 29 73.822 7.184 -1.446 208 HD2 LYS 29 HD2 LYS 29 72.314 7.329 0.516 209 HD3 LYS 29 HD1 LYS 29 72.486 5.587 0.758 210 HE2 LYS 29 HE2 LYS 29 74.083 6.673 2.212 211 HE3 LYS 29 HE1 LYS 29 74.986 5.940 0.886 212 HZ1 LYS 29 HZ1 LYS 29 75.606 8.283 1.427 213 HZ2 LYS 29 HZ2 LYS 29 74.077 8.761 0.862 214 HZ3 LYS 29 HZ3 LYS 29 75.181 8.013 -0.191 215 H THR 30 HN THR 30 73.333 2.598 -2.692 216 HA THR 30 HA THR 30 72.847 1.910 0.131 217 HB THR 30 HB THR 30 71.343 0.367 -0.449 218 HG1 THR 30 HG1 THR 30 72.183 -1.574 -0.979 219 HG21 THR 30 HG21 THR 30 71.169 -0.462 -2.873 220 HG22 THR 30 HG22 THR 30 72.301 0.836 -3.239 221 HG23 THR 30 HG23 THR 30 70.732 1.209 -2.530 222 H CYS 31 HN CYS 31 74.305 0.186 0.853 223 HA CYS 31 HA CYS 31 76.931 0.752 0.154 224 HB2 CYS 31 HB2 CYS 31 76.132 -0.237 2.313 225 HB3 CYS 31 HB1 CYS 31 75.982 -1.781 1.481 226 H GLN 32 HN GLN 32 74.888 -0.640 -1.884 227 HA GLN 32 HA GLN 32 76.806 -2.617 -2.942 228 HB2 GLN 32 HB2 GLN 32 74.933 -3.555 -4.154 229 HB3 GLN 32 HB1 GLN 32 74.464 -3.351 -2.465 230 HG2 GLN 32 HG2 GLN 32 73.537 -1.076 -3.154 231 HG3 GLN 32 HG1 GLN 32 73.702 -1.615 -4.810 232 HE21 GLN 32 HE21 GLN 32 72.176 -2.594 -1.708 233 HE22 GLN 32 HE22 GLN 32 70.865 -3.387 -2.439 234 H ASN 33 HN ASN 33 74.736 0.112 -3.946 235 HA ASN 33 HA ASN 33 76.418 0.474 -6.374 236 HB2 ASN 33 HB2 ASN 33 73.514 1.036 -5.827 237 HB3 ASN 33 HB1 ASN 33 74.372 1.671 -7.225 238 HD21 ASN 33 HD21 ASN 33 72.169 -0.217 -7.425 239 HD22 ASN 33 HD22 ASN 33 72.791 -1.658 -8.071 240 H TYR 34 HN TYR 34 75.843 1.737 -3.335 241 HA TYR 34 HA TYR 34 75.553 4.432 -3.675 242 HB2 TYR 34 HB2 TYR 34 75.625 3.531 -1.449 243 HB3 TYR 34 HB1 TYR 34 77.263 2.923 -1.687 244 HD1 TYR 34 HD1 TYR 34 75.679 6.264 -2.460 245 HD2 TYR 34 HD2 TYR 34 78.687 4.121 -0.264 246 HE1 TYR 34 HE1 TYR 34 76.566 8.396 -1.616 247 HE2 TYR 34 HE2 TYR 34 79.580 6.269 0.574 248 HH TYR 34 HH TYR 34 79.132 8.485 0.811 249 H ASP 35 HN ASP 35 78.601 2.542 -3.823 250 HA ASP 35 HA ASP 35 79.986 4.914 -4.939 251 HB2 ASP 35 HB2 ASP 35 80.913 3.761 -2.910 252 HB3 ASP 35 HB1 ASP 35 81.175 2.337 -3.913 253 H LEU 36 HN LEU 36 78.476 2.036 -5.811 254 HA LEU 36 HA LEU 36 80.138 1.720 -8.248 255 HB2 LEU 36 HB2 LEU 36 78.274 -0.327 -7.073 256 HB3 LEU 36 HB1 LEU 36 79.405 -0.555 -8.385 257 HG LEU 36 HG LEU 36 80.157 0.164 -5.540 258 HD11 LEU 36 HD11 LEU 36 79.388 -2.077 -5.491 259 HD12 LEU 36 HD12 LEU 36 81.134 -2.214 -5.661 260 HD13 LEU 36 HD13 LEU 36 80.092 -2.445 -7.064 261 HD21 LEU 36 HD21 LEU 36 82.453 -0.618 -6.506 262 HD22 LEU 36 HD22 LEU 36 81.886 0.997 -6.914 263 HD23 LEU 36 HD23 LEU 36 81.720 -0.316 -8.082 264 H GLU 37 HN GLU 37 78.831 0.800 -10.125 265 HA GLU 37 HA GLU 37 77.173 2.662 -11.174 266 HB2 GLU 37 HB2 GLU 37 76.267 0.911 -12.655 267 HB3 GLU 37 HB1 GLU 37 78.013 0.754 -12.460 268 HG2 GLU 37 HG2 GLU 37 77.643 -0.951 -10.693 269 HG3 GLU 37 HG1 GLU 37 75.906 -0.829 -10.961 270 H CYS 38 HN CYS 38 74.917 2.903 -11.465 271 HA CYS 38 HA CYS 38 73.269 1.749 -9.279 272 HB2 CYS 38 HB2 CYS 38 73.851 4.211 -9.072 273 HB3 CYS 38 HB1 CYS 38 72.891 4.471 -10.528 274 H MET 39 HN MET 39 70.905 1.883 -9.772 275 HA MET 39 HA MET 39 70.391 0.574 -12.277 276 HB2 MET 39 HB2 MET 39 68.571 1.508 -10.048 277 HB3 MET 39 HB1 MET 39 68.021 0.589 -11.450 278 HG2 MET 39 HG2 MET 39 69.628 -1.214 -10.872 279 HG3 MET 39 HG1 MET 39 70.104 -0.310 -9.438 280 HE1 MET 39 HE1 MET 39 67.409 0.859 -8.123 281 HE2 MET 39 HE2 MET 39 68.897 0.143 -7.512 282 HE3 MET 39 HE3 MET 39 67.344 -0.501 -6.996 283 H SER 40 HN SER 40 69.229 1.319 -14.026 284 HA SER 40 HA SER 40 69.397 4.102 -14.615 285 HB2 SER 40 HB2 SER 40 67.950 1.846 -16.016 286 HB3 SER 40 HB1 SER 40 68.128 3.470 -16.672 287 HG SER 40 HG SER 40 70.503 2.599 -15.819 288 H MET 41 HN MET 41 68.121 4.464 -12.437 289 HA MET 41 HA MET 41 65.310 4.139 -12.419 290 HB2 MET 41 HB2 MET 41 66.646 4.575 -10.381 291 HB3 MET 41 HB1 MET 41 66.987 6.203 -10.968 292 HG2 MET 41 HG2 MET 41 64.590 6.735 -10.957 293 HG3 MET 41 HG1 MET 41 64.213 5.093 -10.437 294 HE1 MET 41 HE1 MET 41 64.931 4.852 -6.839 295 HE2 MET 41 HE2 MET 41 65.654 4.067 -8.241 296 HE3 MET 41 HE3 MET 41 63.923 4.395 -8.218 297 H GLY 42 HN GLY 42 67.419 6.774 -13.489 298 HA2 GLY 42 HA2 GLY 42 67.047 8.556 -14.900 299 HA3 GLY 42 HA1 GLY 42 65.554 7.768 -15.398 300 H CYS 43 HN CYS 43 66.296 8.597 -12.074 301 HA CYS 43 HA CYS 43 65.349 10.085 -10.604 302 HB2 CYS 43 HB2 CYS 43 66.022 11.680 -12.555 303 HB3 CYS 43 HB1 CYS 43 64.293 11.709 -12.910 304 H VAL 44 HN VAL 44 63.786 8.642 -9.842 305 HA VAL 44 HA VAL 44 61.043 9.147 -10.836 306 HB VAL 44 HB VAL 44 62.312 6.466 -10.251 307 HG11 VAL 44 HG11 VAL 44 60.199 6.332 -9.179 308 HG12 VAL 44 HG12 VAL 44 59.924 5.643 -10.778 309 HG13 VAL 44 HG13 VAL 44 59.411 7.294 -10.429 310 HG21 VAL 44 HG21 VAL 44 60.778 7.486 -12.660 311 HG22 VAL 44 HG22 VAL 44 61.650 5.958 -12.526 312 HG23 VAL 44 HG23 VAL 44 62.537 7.482 -12.545 313 H SER 45 HN SER 45 59.408 8.856 -9.257 314 HA SER 45 HA SER 45 60.061 9.820 -6.687 315 HB2 SER 45 HB2 SER 45 57.853 10.159 -7.679 316 HB3 SER 45 HB1 SER 45 57.553 8.423 -7.641 317 HG SER 45 HG SER 45 57.142 8.555 -5.577 318 H GLY 46 HN GLY 46 60.681 8.821 -4.867 319 HA2 GLY 46 HA2 GLY 46 60.009 6.063 -4.287 320 HA3 GLY 46 HA1 GLY 46 61.709 6.312 -4.672 321 H CYS 47 HN CYS 47 61.047 5.357 -2.253 322 HA CYS 47 HA CYS 47 61.524 7.609 -0.380 323 HB2 CYS 47 HB2 CYS 47 60.396 6.388 1.327 324 HB3 CYS 47 HB1 CYS 47 59.339 6.372 -0.082 325 H LEU 48 HN LEU 48 63.420 7.634 0.578 326 HA LEU 48 HA LEU 48 64.971 5.111 0.785 327 HB2 LEU 48 HB2 LEU 48 66.044 7.908 0.332 328 HB3 LEU 48 HB1 LEU 48 66.975 6.414 0.375 329 HG LEU 48 HG LEU 48 64.778 7.020 -1.627 330 HD11 LEU 48 HD11 LEU 48 67.795 6.987 -1.976 331 HD12 LEU 48 HD12 LEU 48 66.808 8.445 -1.891 332 HD13 LEU 48 HD13 LEU 48 66.605 7.320 -3.234 333 HD21 LEU 48 HD21 LEU 48 66.040 5.031 -2.783 334 HD22 LEU 48 HD22 LEU 48 64.925 4.667 -1.476 335 HD23 LEU 48 HD23 LEU 48 66.660 4.694 -1.169 336 H CYS 49 HN CYS 49 66.946 5.718 2.374 337 HA CYS 49 HA CYS 49 65.632 6.541 4.862 338 HB2 CYS 49 HB2 CYS 49 67.538 4.501 4.157 339 HB3 CYS 49 HB1 CYS 49 68.248 5.530 5.398 340 HA PRO 50 HA PRO 50 67.573 10.386 5.566 341 HB2 PRO 50 HB2 PRO 50 69.125 9.090 7.795 342 HB3 PRO 50 HB1 PRO 50 68.215 10.616 7.802 343 HG2 PRO 50 HG2 PRO 50 67.219 8.368 8.873 344 HG3 PRO 50 HG1 PRO 50 66.188 9.565 8.067 345 HD2 PRO 50 HD2 PRO 50 66.963 6.850 7.144 346 HD3 PRO 50 HD1 PRO 50 65.584 7.862 6.665 347 HA PRO 51 HA PRO 51 71.676 10.368 3.797 348 HB2 PRO 51 HB2 PRO 51 72.730 12.477 5.572 349 HB3 PRO 51 HB1 PRO 51 72.331 12.568 3.847 350 HG2 PRO 51 HG2 PRO 51 70.876 13.827 5.743 351 HG3 PRO 51 HG1 PRO 51 70.164 13.202 4.247 352 HD2 PRO 51 HD2 PRO 51 70.115 11.985 7.002 353 HD3 PRO 51 HD1 PRO 51 68.816 12.118 5.797 354 H GLY 52 HN GLY 52 73.882 9.725 4.089 355 HA2 GLY 52 HA2 GLY 52 75.724 8.838 5.181 356 HA3 GLY 52 HA1 GLY 52 74.976 9.265 6.715 357 H MET 53 HN MET 53 72.621 7.686 5.177 358 HA MET 53 HA MET 53 73.406 5.039 6.298 359 HB2 MET 53 HB2 MET 53 70.641 6.209 5.887 360 HB3 MET 53 HB1 MET 53 71.003 4.619 6.554 361 HG2 MET 53 HG2 MET 53 72.514 6.064 8.234 362 HG3 MET 53 HG1 MET 53 71.347 7.317 7.805 363 HE1 MET 53 HE1 MET 53 72.240 4.434 9.917 364 HE2 MET 53 HE2 MET 53 71.548 3.487 8.602 365 HE3 MET 53 HE3 MET 53 70.772 3.484 10.185 366 H VAL 54 HN VAL 54 72.909 3.189 5.191 367 HA VAL 54 HA VAL 54 72.251 3.532 2.333 368 HB VAL 54 HB VAL 54 73.941 1.478 2.110 369 HG11 VAL 54 HG11 VAL 54 75.791 3.021 1.744 370 HG12 VAL 54 HG12 VAL 54 74.969 4.268 2.679 371 HG13 VAL 54 HG13 VAL 54 74.294 3.728 1.141 372 HG21 VAL 54 HG21 VAL 54 74.184 1.225 4.572 373 HG22 VAL 54 HG22 VAL 54 74.931 2.818 4.642 374 HG23 VAL 54 HG23 VAL 54 75.722 1.512 3.770 375 H ARG 55 HN ARG 55 70.873 2.081 1.458 376 HA ARG 55 HA ARG 55 69.336 0.477 3.243 377 HB2 ARG 55 HB2 ARG 55 69.283 0.805 0.257 378 HB3 ARG 55 HB1 ARG 55 68.188 -0.270 1.111 379 HG2 ARG 55 HG2 ARG 55 67.309 1.598 2.399 380 HG3 ARG 55 HG1 ARG 55 68.491 2.693 1.680 381 HD2 ARG 55 HD2 ARG 55 66.347 2.941 0.529 382 HD3 ARG 55 HD1 ARG 55 67.527 2.217 -0.560 383 HE ARG 55 HE ARG 55 66.301 0.228 -0.516 384 HH11 ARG 55 HH21 ARG 55 65.209 2.471 1.880 385 HH12 ARG 55 HH22 ARG 55 63.775 1.580 2.261 386 HH21 ARG 55 HH11 ARG 55 64.421 -0.948 -0.024 387 HH22 ARG 55 HH12 ARG 55 63.330 -0.357 1.182 388 H HIS 56 HN HIS 56 69.856 -1.462 3.965 389 HA HIS 56 HA HIS 56 71.327 -3.323 2.203 390 HB2 HIS 56 HB2 HIS 56 73.021 -2.654 3.710 391 HB3 HIS 56 HB1 HIS 56 71.896 -2.515 5.058 392 HD2 HIS 56 HD2 HIS 56 72.823 -4.524 6.753 393 HE1 HIS 56 HE1 HIS 56 72.904 -7.631 3.916 394 HE2 HIS 56 HE2 HIS 56 73.142 -7.086 6.374 395 H GLU 57 HN GLU 57 70.081 -5.039 1.825 396 HA GLU 57 HA GLU 57 68.432 -6.638 2.093 397 HB2 GLU 57 HB2 GLU 57 69.657 -6.418 4.832 398 HB3 GLU 57 HB1 GLU 57 68.347 -7.553 4.517 399 HG2 GLU 57 HG2 GLU 57 70.856 -7.441 2.838 400 HG3 GLU 57 HG1 GLU 57 70.688 -8.503 4.239 401 H ASN 58 HN ASN 58 67.575 -3.890 2.206 402 HA ASN 58 HA ASN 58 65.524 -2.863 2.436 403 HB2 ASN 58 HB2 ASN 58 64.554 -5.070 4.238 404 HB3 ASN 58 HB1 ASN 58 63.642 -4.066 3.125 405 HD21 ASN 58 HD21 ASN 58 65.103 -7.119 3.449 406 HD22 ASN 58 HD22 ASN 58 65.125 -7.549 1.806 407 H ARG 59 HN ARG 59 67.822 -3.145 4.634 408 HA ARG 59 HA ARG 59 66.362 -1.623 6.713 409 HB2 ARG 59 HB2 ARG 59 67.386 -2.862 8.377 410 HB3 ARG 59 HB1 ARG 59 67.432 -4.079 7.109 411 HG2 ARG 59 HG2 ARG 59 69.787 -2.904 6.557 412 HG3 ARG 59 HG1 ARG 59 69.664 -2.409 8.235 413 HD2 ARG 59 HD2 ARG 59 69.490 -5.261 7.217 414 HD3 ARG 59 HD1 ARG 59 70.885 -4.538 8.015 415 HE ARG 59 HE ARG 59 68.745 -4.147 9.736 416 HH11 ARG 59 HH21 ARG 59 70.406 -6.758 8.218 417 HH12 ARG 59 HH22 ARG 59 70.088 -7.889 9.491 418 HH21 ARG 59 HH11 ARG 59 68.320 -5.596 11.416 419 HH22 ARG 59 HH12 ARG 59 68.898 -7.226 11.315 420 H CYS 60 HN CYS 60 67.545 0.138 7.679 421 HA CYS 60 HA CYS 60 69.625 1.222 5.882 422 HB2 CYS 60 HB2 CYS 60 68.275 2.698 8.134 423 HB3 CYS 60 HB1 CYS 60 69.059 3.352 6.695 424 H VAL 61 HN VAL 61 71.645 1.298 6.462 425 HA VAL 61 HA VAL 61 72.384 1.255 9.332 426 HB VAL 61 HB VAL 61 74.116 -0.388 8.983 427 HG11 VAL 61 HG11 VAL 61 72.785 -2.323 8.783 428 HG12 VAL 61 HG12 VAL 61 71.732 -1.591 7.574 429 HG13 VAL 61 HG13 VAL 61 71.615 -1.093 9.262 430 HG21 VAL 61 HG21 VAL 61 74.241 -1.557 6.725 431 HG22 VAL 61 HG22 VAL 61 74.847 0.099 6.752 432 HG23 VAL 61 HG23 VAL 61 73.250 -0.247 6.089 433 H ALA 62 HN ALA 62 74.422 2.145 9.780 434 HA ALA 62 HA ALA 62 75.119 4.425 8.191 435 HB1 ALA 62 HB1 ALA 62 75.501 3.954 10.724 436 HB2 ALA 62 HB2 ALA 62 76.713 4.859 9.817 437 HB3 ALA 62 HB3 ALA 62 76.969 3.151 10.172 438 H LEU 63 HN LEU 63 76.737 4.803 6.790 439 HA LEU 63 HA LEU 63 77.478 2.825 5.034 440 HB2 LEU 63 HB2 LEU 63 77.734 5.246 4.583 441 HB3 LEU 63 HB1 LEU 63 79.095 5.296 5.701 442 HG LEU 63 HG LEU 63 80.312 3.658 4.282 443 HD11 LEU 63 HD11 LEU 63 77.754 3.812 2.691 444 HD12 LEU 63 HD12 LEU 63 78.679 2.386 3.154 445 HD13 LEU 63 HD13 LEU 63 79.278 3.441 1.886 446 HD21 LEU 63 HD21 LEU 63 80.655 5.203 2.342 447 HD22 LEU 63 HD22 LEU 63 80.698 6.023 3.902 448 HD23 LEU 63 HD23 LEU 63 79.258 6.132 2.889 449 H GLU 64 HN GLU 64 79.496 4.141 7.693 450 HA GLU 64 HA GLU 64 81.661 2.362 7.336 451 HB2 GLU 64 HB2 GLU 64 82.362 3.091 9.515 452 HB3 GLU 64 HB1 GLU 64 81.679 4.480 8.671 453 HG2 GLU 64 HG2 GLU 64 79.476 3.986 9.834 454 HG3 GLU 64 HG1 GLU 64 80.333 2.793 10.808 455 H ARG 65 HN ARG 65 78.504 1.796 8.464 456 HA ARG 65 HA ARG 65 79.341 -0.548 10.059 457 HB2 ARG 65 HB2 ARG 65 77.772 1.133 11.036 458 HB3 ARG 65 HB1 ARG 65 76.618 0.747 9.759 459 HG2 ARG 65 HG2 ARG 65 76.427 -1.532 10.525 460 HG3 ARG 65 HG1 ARG 65 77.762 -1.314 11.663 461 HD2 ARG 65 HD2 ARG 65 76.489 0.348 12.868 462 HD3 ARG 65 HD1 ARG 65 75.184 0.235 11.690 463 HE ARG 65 HE ARG 65 75.614 -2.344 12.709 464 HH11 ARG 65 HH21 ARG 65 74.631 0.786 13.818 465 HH12 ARG 65 HH22 ARG 65 73.569 0.170 15.039 466 HH21 ARG 65 HH11 ARG 65 74.202 -3.155 14.303 467 HH22 ARG 65 HH12 ARG 65 73.326 -2.053 15.313 468 H CYS 66 HN CYS 66 78.493 0.229 6.979 469 HA CYS 66 HA CYS 66 76.610 -1.645 6.203 470 HB2 CYS 66 HB2 CYS 66 77.144 -0.270 4.423 471 HB3 CYS 66 HB1 CYS 66 78.840 -0.215 4.856 472 HA PRO 67 HA PRO 67 78.709 -5.549 6.722 473 HB2 PRO 67 HB2 PRO 67 77.398 -7.088 4.887 474 HB3 PRO 67 HB1 PRO 67 76.626 -6.535 6.388 475 HG2 PRO 67 HG2 PRO 67 76.427 -5.383 3.632 476 HG3 PRO 67 HG1 PRO 67 75.144 -5.700 4.811 477 HD2 PRO 67 HD2 PRO 67 76.175 -3.216 4.478 478 HD3 PRO 67 HD1 PRO 67 75.621 -3.794 6.063 479 H CYS 68 HN CYS 68 80.144 -7.019 5.623 480 HA CYS 68 HA CYS 68 81.353 -5.839 3.145 481 HB2 CYS 68 HB2 CYS 68 83.254 -7.575 4.149 482 HB3 CYS 68 HB1 CYS 68 83.211 -5.845 4.464 483 H PHE 69 HN PHE 69 81.950 -7.204 1.430 484 HA PHE 69 HA PHE 69 80.644 -9.863 1.440 485 HB2 PHE 69 HB2 PHE 69 81.302 -8.110 -0.947 486 HB3 PHE 69 HB1 PHE 69 80.299 -9.559 -0.934 487 HD1 PHE 69 HD1 PHE 69 80.522 -6.145 0.627 488 HD2 PHE 69 HD2 PHE 69 77.970 -9.337 -0.707 489 HE1 PHE 69 HE1 PHE 69 78.524 -4.752 1.104 490 HE2 PHE 69 HE2 PHE 69 75.973 -7.939 -0.223 491 HZ PHE 69 HZ PHE 69 76.250 -5.637 0.663 492 H HIS 70 HN HIS 70 82.005 -11.539 1.360 493 HA HIS 70 HA HIS 70 84.540 -11.244 -0.111 494 HB2 HIS 70 HB2 HIS 70 84.590 -11.093 2.577 495 HB3 HIS 70 HB1 HIS 70 84.603 -12.846 2.420 496 HD2 HIS 70 HD2 HIS 70 87.160 -10.133 2.538 497 HE1 HIS 70 HE1 HIS 70 88.885 -13.104 0.088 498 HE2 HIS 70 HE2 HIS 70 89.348 -10.971 1.385 499 H GLN 71 HN GLN 71 84.631 -12.809 -1.625 500 HA GLN 71 HA GLN 71 84.292 -14.810 -2.706 501 HB2 GLN 71 HB2 GLN 71 84.175 -15.777 0.156 502 HB3 GLN 71 HB1 GLN 71 84.215 -16.839 -1.239 503 HG2 GLN 71 HG2 GLN 71 86.360 -15.915 -1.932 504 HG3 GLN 71 HG1 GLN 71 86.302 -14.728 -0.628 505 HE21 GLN 71 HE21 GLN 71 88.505 -16.012 -0.250 506 HE22 GLN 71 HE22 GLN 71 88.397 -17.327 0.816 507 H GLY 72 HN GLY 72 81.980 -13.203 -2.510 508 HA2 GLY 72 HA2 GLY 72 79.775 -13.435 -3.079 509 HA3 GLY 72 HA1 GLY 72 79.992 -15.176 -3.006 510 H LYS 73 HN LYS 73 81.075 -14.211 -0.116 511 HA LYS 73 HA LYS 73 78.437 -14.618 1.174 512 HB2 LYS 73 HB2 LYS 73 81.273 -15.065 2.120 513 HB3 LYS 73 HB1 LYS 73 79.875 -15.146 3.194 514 HG2 LYS 73 HG2 LYS 73 78.883 -16.891 1.736 515 HG3 LYS 73 HG1 LYS 73 80.324 -16.836 0.720 516 HD2 LYS 73 HD2 LYS 73 81.716 -17.483 2.644 517 HD3 LYS 73 HD1 LYS 73 80.280 -17.532 3.669 518 HE2 LYS 73 HE2 LYS 73 79.314 -19.296 2.241 519 HE3 LYS 73 HE1 LYS 73 80.744 -19.248 1.208 520 HZ1 LYS 73 HZ1 LYS 73 80.571 -20.091 4.042 521 HZ2 LYS 73 HZ2 LYS 73 82.049 -19.749 3.278 522 HZ3 LYS 73 HZ3 LYS 73 81.066 -21.011 2.707 523 H GLU 74 HN GLU 74 77.791 -13.323 2.909 524 HA GLU 74 HA GLU 74 78.988 -10.627 2.893 525 HB2 GLU 74 HB2 GLU 74 76.267 -11.609 3.796 526 HB3 GLU 74 HB1 GLU 74 76.819 -9.941 3.926 527 HG2 GLU 74 HG2 GLU 74 75.644 -9.926 1.896 528 HG3 GLU 74 HG1 GLU 74 77.304 -10.151 1.368 529 H TYR 75 HN TYR 75 80.001 -9.860 4.606 530 HA TYR 75 HA TYR 75 79.821 -11.295 7.189 531 HB2 TYR 75 HB2 TYR 75 82.159 -9.720 6.119 532 HB3 TYR 75 HB1 TYR 75 82.119 -10.692 7.583 533 HD1 TYR 75 HD1 TYR 75 81.612 -10.896 3.897 534 HD2 TYR 75 HD2 TYR 75 82.738 -12.964 7.485 535 HE1 TYR 75 HE1 TYR 75 82.277 -12.849 2.564 536 HE2 TYR 75 HE2 TYR 75 83.408 -14.925 6.133 537 HH TYR 75 HH TYR 75 83.395 -15.853 4.108 538 H ALA 76 HN ALA 76 80.660 -9.779 8.987 539 HA ALA 76 HA ALA 76 79.235 -7.186 8.733 540 HB1 ALA 76 HB1 ALA 76 79.054 -9.398 10.579 541 HB2 ALA 76 HB2 ALA 76 78.058 -7.948 10.506 542 HB3 ALA 76 HB3 ALA 76 79.539 -7.954 11.462 543 HA PRO 77 HA PRO 77 82.821 -4.884 9.886 544 HB2 PRO 77 HB2 PRO 77 81.941 -3.312 11.995 545 HB3 PRO 77 HB1 PRO 77 81.576 -2.992 10.288 546 HG2 PRO 77 HG2 PRO 77 79.891 -4.335 12.359 547 HG3 PRO 77 HG1 PRO 77 79.425 -3.162 11.113 548 HD2 PRO 77 HD2 PRO 77 78.939 -5.789 10.804 549 HD3 PRO 77 HD1 PRO 77 79.380 -4.772 9.423 550 H GLY 78 HN GLY 78 84.625 -5.524 10.928 551 HA2 GLY 78 HA2 GLY 78 86.018 -6.026 12.775 552 HA3 GLY 78 HA1 GLY 78 84.586 -6.273 13.768 553 H GLU 79 HN GLU 79 83.889 -7.909 11.046 554 HA GLU 79 HA GLU 79 84.485 -10.467 12.265 555 HB2 GLU 79 HB2 GLU 79 82.452 -9.686 10.633 556 HB3 GLU 79 HB1 GLU 79 83.522 -10.401 9.432 557 HG2 GLU 79 HG2 GLU 79 83.609 -12.475 10.734 558 HG3 GLU 79 HG1 GLU 79 82.583 -11.758 11.974 559 H THR 80 HN THR 80 86.105 -11.797 11.825 560 HA THR 80 HA THR 80 88.128 -10.905 9.870 561 HB THR 80 HB THR 80 89.677 -11.561 11.387 562 HG1 THR 80 HG1 THR 80 89.562 -13.612 12.394 563 HG21 THR 80 HG21 THR 80 88.065 -10.494 12.928 564 HG22 THR 80 HG22 THR 80 88.929 -11.803 13.720 565 HG23 THR 80 HG23 THR 80 87.271 -12.047 13.171 566 H VAL 81 HN VAL 81 89.151 -12.306 8.531 567 HA VAL 81 HA VAL 81 88.015 -14.983 8.174 568 HB VAL 81 HB VAL 81 87.667 -14.620 5.751 569 HG11 VAL 81 HG11 VAL 81 85.868 -14.320 7.524 570 HG12 VAL 81 HG12 VAL 81 85.569 -13.485 6.001 571 HG13 VAL 81 HG13 VAL 81 86.155 -12.585 7.399 572 HG21 VAL 81 HG21 VAL 81 88.243 -11.729 6.489 573 HG22 VAL 81 HG22 VAL 81 87.547 -12.247 4.955 574 HG23 VAL 81 HG23 VAL 81 89.185 -12.734 5.388 575 H LYS 82 HN LYS 82 89.419 -16.409 6.995 576 HA LYS 82 HA LYS 82 92.180 -15.459 7.019 577 HB2 LYS 82 HB2 LYS 82 91.207 -17.631 8.195 578 HB3 LYS 82 HB1 LYS 82 91.351 -18.324 6.586 579 HG2 LYS 82 HG2 LYS 82 93.443 -18.833 7.496 580 HG3 LYS 82 HG1 LYS 82 93.786 -17.318 6.661 581 HD2 LYS 82 HD2 LYS 82 93.529 -16.071 8.755 582 HD3 LYS 82 HD1 LYS 82 93.062 -17.541 9.601 583 HE2 LYS 82 HE2 LYS 82 95.414 -17.045 10.032 584 HE3 LYS 82 HE1 LYS 82 95.283 -18.518 9.068 585 HZ1 LYS 82 HZ1 LYS 82 96.696 -16.232 8.447 586 HZ2 LYS 82 HZ2 LYS 82 95.360 -16.240 7.396 587 HZ3 LYS 82 HZ3 LYS 82 96.418 -17.570 7.441 588 H ILE 83 HN ILE 83 93.314 -15.220 5.197 589 HA ILE 83 HA ILE 83 92.265 -16.399 2.681 590 HB ILE 83 HB ILE 83 93.272 -13.548 2.941 591 HG12 ILE 83 HG12 ILE 83 90.436 -14.561 2.537 592 HG13 ILE 83 HG11 ILE 83 91.060 -13.946 4.067 593 HG21 ILE 83 HG21 ILE 83 92.413 -13.353 0.638 594 HG22 ILE 83 HG22 ILE 83 91.914 -15.044 0.675 595 HG23 ILE 83 HG23 ILE 83 93.626 -14.628 0.736 596 HD11 ILE 83 HD11 ILE 83 90.653 -12.441 1.487 597 HD12 ILE 83 HD12 ILE 83 91.698 -11.824 2.766 598 HD13 ILE 83 HD13 ILE 83 89.984 -12.086 3.079 599 H GLY 84 HN GLY 84 93.814 -17.727 1.963 600 HA2 GLY 84 HA2 GLY 84 95.945 -18.673 1.758 601 HA3 GLY 84 HA1 GLY 84 96.205 -17.158 0.903 602 H CYS 85 HN CYS 85 96.127 -18.395 4.255 603 HA CYS 85 HA CYS 85 97.583 -18.110 5.995 604 HB2 CYS 85 HB2 CYS 85 99.816 -18.026 5.505 605 HB3 CYS 85 HB1 CYS 85 99.249 -18.229 3.852 606 H ASN 86 HN ASN 86 96.895 -15.446 3.910 607 HA ASN 86 HA ASN 86 97.449 -13.430 5.940 608 HB2 ASN 86 HB2 ASN 86 97.911 -13.052 3.504 609 HB3 ASN 86 HB1 ASN 86 96.171 -13.089 3.225 610 HD21 ASN 86 HD21 ASN 86 97.750 -10.738 2.716 611 HD22 ASN 86 HD22 ASN 86 97.270 -9.540 3.816 612 H THR 87 HN THR 87 95.945 -12.511 7.219 613 HA THR 87 HA THR 87 93.118 -13.394 6.903 614 HB THR 87 HB THR 87 94.671 -13.817 9.007 615 HG1 THR 87 HG1 THR 87 92.061 -13.675 8.486 616 HG21 THR 87 HG21 THR 87 93.219 -11.330 9.838 617 HG22 THR 87 HG22 THR 87 94.899 -11.282 9.299 618 HG23 THR 87 HG23 THR 87 94.457 -12.218 10.727 619 H CYS 88 HN CYS 88 91.464 -11.983 7.110 620 HA CYS 88 HA CYS 88 92.194 -9.114 7.175 621 HB2 CYS 88 HB2 CYS 88 91.462 -10.496 4.808 622 HB3 CYS 88 HB1 CYS 88 90.058 -9.544 5.235 623 H VAL 89 HN VAL 89 90.617 -7.678 7.758 624 HA VAL 89 HA VAL 89 88.184 -8.822 8.952 625 HB VAL 89 HB VAL 89 90.222 -8.337 10.576 626 HG11 VAL 89 HG11 VAL 89 90.306 -5.933 9.644 627 HG12 VAL 89 HG12 VAL 89 90.406 -6.141 11.387 628 HG13 VAL 89 HG13 VAL 89 88.893 -5.642 10.639 629 HG21 VAL 89 HG21 VAL 89 87.901 -8.995 11.228 630 HG22 VAL 89 HG22 VAL 89 87.475 -7.291 11.259 631 HG23 VAL 89 HG23 VAL 89 88.686 -7.918 12.376 632 H CYS 90 HN CYS 90 86.417 -7.543 8.945 633 HA CYS 90 HA CYS 90 86.237 -5.482 6.972 634 HB2 CYS 90 HB2 CYS 90 84.336 -6.397 9.138 635 HB3 CYS 90 HB1 CYS 90 83.913 -5.269 7.847 636 H ARG 91 HN ARG 91 87.103 -3.552 7.291 637 HA ARG 91 HA ARG 91 86.394 -2.060 9.718 638 HB2 ARG 91 HB2 ARG 91 89.155 -2.699 8.764 639 HB3 ARG 91 HB1 ARG 91 88.871 -1.118 9.486 640 HG2 ARG 91 HG2 ARG 91 87.900 -3.604 10.885 641 HG3 ARG 91 HG1 ARG 91 89.590 -3.126 11.020 642 HD2 ARG 91 HD2 ARG 91 88.852 -0.888 11.820 643 HD3 ARG 91 HD1 ARG 91 87.185 -1.436 11.765 644 HE ARG 91 HE ARG 91 89.229 -2.276 13.685 645 HH11 ARG 91 HH21 ARG 91 86.082 -2.707 12.309 646 HH12 ARG 91 HH22 ARG 91 85.447 -3.550 13.678 647 HH21 ARG 91 HH11 ARG 91 88.404 -3.393 15.483 648 HH22 ARG 91 HH12 ARG 91 86.761 -3.939 15.477 649 H ASP 92 HN ASP 92 85.456 -0.244 9.082 650 HA ASP 92 HA ASP 92 84.863 1.582 7.847 651 HB2 ASP 92 HB2 ASP 92 87.716 1.280 6.903 652 HB3 ASP 92 HB1 ASP 92 86.669 2.594 6.391 653 H ARG 93 HN ARG 93 83.778 -0.668 6.986 654 HA ARG 93 HA ARG 93 82.748 -1.648 5.181 655 HB2 ARG 93 HB2 ARG 93 82.330 0.912 4.864 656 HB3 ARG 93 HB1 ARG 93 83.530 0.794 3.581 657 HG2 ARG 93 HG2 ARG 93 82.142 -1.065 2.570 658 HG3 ARG 93 HG1 ARG 93 80.906 -0.715 3.776 659 HD2 ARG 93 HD2 ARG 93 80.350 0.483 1.750 660 HD3 ARG 93 HD1 ARG 93 80.867 1.652 2.951 661 HE ARG 93 HE ARG 93 83.151 1.012 1.551 662 HH11 ARG 93 HH21 ARG 93 79.981 2.172 0.808 663 HH12 ARG 93 HH22 ARG 93 80.490 3.094 -0.568 664 HH21 ARG 93 HH11 ARG 93 83.828 2.216 -0.253 665 HH22 ARG 93 HH12 ARG 93 82.667 3.118 -1.168 666 H LYS 94 HN LYS 94 85.926 -1.459 5.461 667 HA LYS 94 HA LYS 94 86.407 -2.830 2.875 668 HB2 LYS 94 HB2 LYS 94 87.269 -0.391 3.015 669 HB3 LYS 94 HB1 LYS 94 88.445 -1.016 4.167 670 HG2 LYS 94 HG2 LYS 94 89.625 -1.220 2.163 671 HG3 LYS 94 HG1 LYS 94 88.909 -2.819 2.296 672 HD2 LYS 94 HD2 LYS 94 87.096 -2.168 0.778 673 HD3 LYS 94 HD1 LYS 94 87.722 -0.521 0.707 674 HE2 LYS 94 HE2 LYS 94 89.822 -1.363 -0.283 675 HE3 LYS 94 HE1 LYS 94 89.198 -3.010 -0.210 676 HZ1 LYS 94 HZ1 LYS 94 88.832 -1.161 -2.237 677 HZ2 LYS 94 HZ2 LYS 94 87.323 -1.315 -1.472 678 HZ3 LYS 94 HZ3 LYS 94 88.107 -2.688 -2.094 679 H TRP 95 HN TRP 95 88.055 -4.402 2.922 680 HA TRP 95 HA TRP 95 88.331 -5.702 5.498 681 HB2 TRP 95 HB2 TRP 95 89.140 -6.410 2.678 682 HB3 TRP 95 HB1 TRP 95 89.564 -7.390 4.067 683 HD1 TRP 95 HD1 TRP 95 86.724 -6.572 1.783 684 HE1 TRP 95 HE1 TRP 95 84.691 -8.037 2.396 685 HE3 TRP 95 HE3 TRP 95 88.326 -8.487 6.251 686 HZ2 TRP 95 HZ2 TRP 95 83.869 -9.794 4.490 687 HZ3 TRP 95 HZ3 TRP 95 86.909 -10.083 7.503 688 HH2 TRP 95 HH2 TRP 95 84.675 -10.716 6.644 689 H ASN 96 HN ASN 96 90.109 -5.704 6.748 690 HA ASN 96 HA ASN 96 92.520 -4.267 5.754 691 HB2 ASN 96 HB2 ASN 96 91.152 -3.495 7.858 692 HB3 ASN 96 HB1 ASN 96 91.997 -4.810 8.662 693 HD21 ASN 96 HD21 ASN 96 92.334 -1.589 7.415 694 HD22 ASN 96 HD22 ASN 96 93.979 -1.399 7.792 695 H CYS 97 HN CYS 97 93.855 -5.770 4.949 696 HA CYS 97 HA CYS 97 94.101 -8.372 6.223 697 HB2 CYS 97 HB2 CYS 97 95.205 -7.184 3.695 698 HB3 CYS 97 HB1 CYS 97 95.757 -8.741 4.315 699 H THR 98 HN THR 98 95.558 -9.082 7.465 700 HA THR 98 HA THR 98 97.324 -7.425 8.825 701 HB THR 98 HB THR 98 97.373 -10.413 8.469 702 HG1 THR 98 HG1 THR 98 96.072 -8.618 10.169 703 HG21 THR 98 HG21 THR 98 98.682 -10.302 10.605 704 HG22 THR 98 HG22 THR 98 98.821 -8.564 10.347 705 HG23 THR 98 HG23 THR 98 99.528 -9.686 9.187 706 H ASP 99 HN ASP 99 97.863 -9.609 6.197 707 HA ASP 99 HA ASP 99 99.432 -9.623 4.535 708 HB2 ASP 99 HB2 ASP 99 100.748 -7.179 5.686 709 HB3 ASP 99 HB1 ASP 99 100.656 -7.697 4.008 710 H HIS 100 HN HIS 100 99.800 -10.451 7.507 711 HA HIS 100 HA HIS 100 102.590 -10.499 8.028 712 HB2 HIS 100 HB2 HIS 100 101.883 -12.577 9.450 713 HB3 HIS 100 HB1 HIS 100 101.276 -10.991 9.902 714 HD2 HIS 100 HD2 HIS 100 99.335 -12.280 6.840 715 HE1 HIS 100 HE1 HIS 100 97.025 -13.304 10.214 716 HE2 HIS 100 HE2 HIS 100 97.025 -13.132 7.684 717 H VAL 101 HN VAL 101 104.161 -11.987 7.542 718 HA VAL 101 HA VAL 101 104.122 -13.344 5.123 719 HB VAL 101 HB VAL 101 106.202 -12.836 6.279 720 HG11 VAL 101 HG11 VAL 101 105.380 -13.179 8.585 721 HG12 VAL 101 HG12 VAL 101 106.857 -14.098 8.296 722 HG13 VAL 101 HG13 VAL 101 105.294 -14.915 8.295 723 HG21 VAL 101 HG21 VAL 101 105.938 -15.849 6.192 724 HG22 VAL 101 HG22 VAL 101 107.360 -14.874 5.822 725 HG23 VAL 101 HG23 VAL 101 105.978 -14.866 4.728 726 H CYS 102 HN CYS 102 103.801 -15.486 4.513 727 HA CYS 102 HA CYS 102 101.814 -16.924 5.996 728 HB2 CYS 102 HB2 CYS 102 103.396 -17.835 3.583 729 HB3 CYS 102 HB1 CYS 102 101.892 -18.534 4.179 730 H ASP 103 HN ASP 103 102.718 -17.538 7.948 731 HA ASP 103 HA ASP 103 105.212 -18.711 8.368 732 HB2 ASP 103 HB2 ASP 103 104.272 -19.624 10.433 733 HB3 ASP 103 HB1 ASP 103 103.731 -17.963 10.193 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 51.249 10.473 -2.615 2 H2 GLY 1 HT2 GLY 1 52.143 10.607 -1.176 3 H3 GLY 1 HT3 GLY 1 52.174 9.161 -2.068 4 HA2 GLY 1 HA2 GLY 1 52.969 11.451 -3.611 5 HA3 GLY 1 HA1 GLY 1 54.019 11.134 -2.230 6 H ALA 2 HN ALA 2 54.581 8.739 -1.940 7 HA ALA 2 HA ALA 2 55.889 7.826 -4.298 8 HB1 ALA 2 HB1 ALA 2 56.380 5.792 -2.877 9 HB2 ALA 2 HB2 ALA 2 55.421 6.542 -1.603 10 HB3 ALA 2 HB3 ALA 2 56.891 7.329 -2.179 11 H MET 3 HN MET 3 55.421 6.131 -5.662 12 HA MET 3 HA MET 3 52.618 5.224 -5.670 13 HB2 MET 3 HB2 MET 3 53.660 6.262 -7.718 14 HB3 MET 3 HB1 MET 3 54.725 4.859 -7.811 15 HG2 MET 3 HG2 MET 3 52.855 4.411 -9.254 16 HG3 MET 3 HG1 MET 3 52.647 3.406 -7.823 17 HE1 MET 3 HE1 MET 3 49.765 6.311 -9.558 18 HE2 MET 3 HE2 MET 3 50.723 4.997 -10.235 19 HE3 MET 3 HE3 MET 3 51.501 6.521 -9.817 20 H GLY 4 HN GLY 4 52.122 3.273 -4.927 21 HA2 GLY 4 HA2 GLY 4 52.248 1.000 -4.524 22 HA3 GLY 4 HA1 GLY 4 53.724 0.956 -5.484 23 H SER 5 HN SER 5 53.816 -0.621 -3.391 24 HA SER 5 HA SER 5 54.678 0.617 -0.955 25 HB2 SER 5 HB2 SER 5 53.711 -1.643 -0.984 26 HB3 SER 5 HB1 SER 5 55.064 -2.214 -1.956 27 HG SER 5 HG SER 5 56.355 -1.254 -0.116 28 H CYS 6 HN CYS 6 56.752 0.850 -0.144 29 HA CYS 6 HA CYS 6 59.032 0.241 -1.916 30 HB2 CYS 6 HB2 CYS 6 59.945 2.458 -1.712 31 HB3 CYS 6 HB1 CYS 6 58.293 2.621 -2.304 32 H ARG 7 HN ARG 7 58.147 -1.061 0.492 33 HA ARG 7 HA ARG 7 58.983 -1.805 2.507 34 HB2 ARG 7 HB2 ARG 7 61.368 -0.859 0.970 35 HB3 ARG 7 HB1 ARG 7 61.615 -1.129 2.686 36 HG2 ARG 7 HG2 ARG 7 60.906 -3.416 2.506 37 HG3 ARG 7 HG1 ARG 7 60.330 -3.171 0.858 38 HD2 ARG 7 HD2 ARG 7 63.213 -2.741 1.642 39 HD3 ARG 7 HD1 ARG 7 62.611 -4.300 1.087 40 HE ARG 7 HE ARG 7 63.051 -1.937 -0.530 41 HH11 ARG 7 HH21 ARG 7 61.373 -4.937 -0.157 42 HH12 ARG 7 HH22 ARG 7 61.077 -5.143 -1.852 43 HH21 ARG 7 HH11 ARG 7 62.670 -2.196 -2.754 44 HH22 ARG 7 HH12 ARG 7 61.811 -3.588 -3.322 45 HA PRO 8 HA PRO 8 58.557 1.054 5.840 46 HB2 PRO 8 HB2 PRO 8 61.496 0.696 6.360 47 HB3 PRO 8 HB1 PRO 8 60.139 0.661 7.503 48 HG2 PRO 8 HG2 PRO 8 61.361 -1.583 6.433 49 HG3 PRO 8 HG1 PRO 8 59.737 -1.551 7.137 50 HD2 PRO 8 HD2 PRO 8 60.419 -2.033 4.381 51 HD3 PRO 8 HD1 PRO 8 58.793 -1.905 5.077 52 HA PRO 9 HA PRO 9 60.455 4.426 3.390 53 HB2 PRO 9 HB2 PRO 9 58.375 6.147 3.373 54 HB3 PRO 9 HB1 PRO 9 58.363 4.676 2.383 55 HG2 PRO 9 HG2 PRO 9 56.994 5.211 4.975 56 HG3 PRO 9 HG1 PRO 9 56.413 4.318 3.557 57 HD2 PRO 9 HD2 PRO 9 57.506 3.138 5.858 58 HD3 PRO 9 HD1 PRO 9 57.370 2.343 4.274 59 H MET 10 HN MET 10 61.764 6.047 4.162 60 HA MET 10 HA MET 10 61.110 7.220 6.798 61 HB2 MET 10 HB2 MET 10 63.733 6.490 5.484 62 HB3 MET 10 HB1 MET 10 63.649 7.629 6.826 63 HG2 MET 10 HG2 MET 10 64.082 5.453 7.764 64 HG3 MET 10 HG1 MET 10 62.411 5.857 8.139 65 HE1 MET 10 HE1 MET 10 64.133 2.718 5.359 66 HE2 MET 10 HE2 MET 10 64.916 4.117 6.085 67 HE3 MET 10 HE3 MET 10 64.010 4.304 4.588 68 H VAL 11 HN VAL 11 62.599 7.817 3.595 69 HA VAL 11 HA VAL 11 61.786 10.670 3.835 70 HB VAL 11 HB VAL 11 64.245 9.835 2.311 71 HG11 VAL 11 HG11 VAL 11 64.882 12.130 2.652 72 HG12 VAL 11 HG12 VAL 11 63.587 12.376 3.823 73 HG13 VAL 11 HG13 VAL 11 63.202 12.132 2.119 74 HG21 VAL 11 HG21 VAL 11 64.645 8.905 4.486 75 HG22 VAL 11 HG22 VAL 11 64.010 10.342 5.280 76 HG23 VAL 11 HG23 VAL 11 65.534 10.423 4.395 77 H LYS 12 HN LYS 12 60.361 11.134 2.279 78 HA LYS 12 HA LYS 12 60.071 9.376 -0.024 79 HB2 LYS 12 HB2 LYS 12 58.548 11.822 0.888 80 HB3 LYS 12 HB1 LYS 12 58.140 10.883 -0.547 81 HG2 LYS 12 HG2 LYS 12 57.899 8.857 0.871 82 HG3 LYS 12 HG1 LYS 12 58.233 9.834 2.297 83 HD2 LYS 12 HD2 LYS 12 55.964 10.448 0.386 84 HD3 LYS 12 HD1 LYS 12 55.765 9.417 1.803 85 HE2 LYS 12 HE2 LYS 12 56.716 11.366 3.172 86 HE3 LYS 12 HE1 LYS 12 56.490 12.354 1.730 87 HZ1 LYS 12 HZ1 LYS 12 54.571 12.515 3.144 88 HZ2 LYS 12 HZ2 LYS 12 54.382 10.827 3.152 89 HZ3 LYS 12 HZ3 LYS 12 54.151 11.703 1.715 90 H LEU 13 HN LEU 13 60.664 9.795 -2.037 91 HA LEU 13 HA LEU 13 61.693 12.476 -2.738 92 HB2 LEU 13 HB2 LEU 13 63.647 11.603 -3.704 93 HB3 LEU 13 HB1 LEU 13 63.501 10.731 -2.186 94 HG LEU 13 HG LEU 13 62.140 9.008 -3.773 95 HD11 LEU 13 HD11 LEU 13 64.287 9.759 -5.725 96 HD12 LEU 13 HD12 LEU 13 62.822 10.731 -5.729 97 HD13 LEU 13 HD13 LEU 13 62.723 8.997 -6.005 98 HD21 LEU 13 HD21 LEU 13 65.163 9.105 -3.684 99 HD22 LEU 13 HD22 LEU 13 64.158 7.675 -3.922 100 HD23 LEU 13 HD23 LEU 13 64.141 8.514 -2.374 101 H VAL 14 HN VAL 14 60.920 13.221 -4.647 102 HA VAL 14 HA VAL 14 59.615 11.289 -6.438 103 HB VAL 14 HB VAL 14 57.940 13.085 -6.930 104 HG11 VAL 14 HG11 VAL 14 56.855 12.934 -4.576 105 HG12 VAL 14 HG12 VAL 14 58.267 11.973 -4.140 106 HG13 VAL 14 HG13 VAL 14 57.187 11.424 -5.420 107 HG21 VAL 14 HG21 VAL 14 57.800 14.981 -5.349 108 HG22 VAL 14 HG22 VAL 14 59.331 15.002 -6.225 109 HG23 VAL 14 HG23 VAL 14 59.275 14.427 -4.559 110 H CYS 15 HN CYS 15 59.427 12.054 -8.693 111 HA CYS 15 HA CYS 15 61.951 13.315 -9.486 112 HB2 CYS 15 HB2 CYS 15 61.419 11.242 -10.570 113 HB3 CYS 15 HB1 CYS 15 59.835 11.849 -11.058 114 HA PRO 16 HA PRO 16 59.684 17.265 -9.914 115 HB2 PRO 16 HB2 PRO 16 62.117 17.771 -11.584 116 HB3 PRO 16 HB1 PRO 16 61.341 18.832 -10.391 117 HG2 PRO 16 HG2 PRO 16 63.565 17.512 -9.807 118 HG3 PRO 16 HG1 PRO 16 62.277 17.703 -8.608 119 HD2 PRO 16 HD2 PRO 16 63.078 15.268 -10.123 120 HD3 PRO 16 HD1 PRO 16 62.335 15.405 -8.524 121 H ALA 17 HN ALA 17 59.318 18.725 -11.961 122 HA ALA 17 HA ALA 17 57.916 17.209 -13.883 123 HB1 ALA 17 HB1 ALA 17 58.781 20.091 -13.771 124 HB2 ALA 17 HB2 ALA 17 57.169 19.427 -13.498 125 HB3 ALA 17 HB3 ALA 17 57.855 19.435 -15.123 126 H ASP 18 HN ASP 18 61.019 18.929 -13.988 127 HA ASP 18 HA ASP 18 61.603 17.654 -16.575 128 HB2 ASP 18 HB2 ASP 18 61.926 20.163 -16.216 129 HB3 ASP 18 HB1 ASP 18 63.289 19.730 -15.188 130 H ASN 19 HN ASN 19 61.791 16.809 -13.517 131 HA ASN 19 HA ASN 19 63.012 15.311 -12.320 132 HB2 ASN 19 HB2 ASN 19 62.834 14.011 -14.408 133 HB3 ASN 19 HB1 ASN 19 64.367 14.701 -14.926 134 HD21 ASN 19 HD21 ASN 19 63.651 13.805 -11.553 135 HD22 ASN 19 HD22 ASN 19 64.787 12.546 -11.480 136 H LEU 20 HN LEU 20 63.973 17.515 -11.524 137 HA LEU 20 HA LEU 20 66.810 17.740 -12.228 138 HB2 LEU 20 HB2 LEU 20 65.232 19.524 -10.377 139 HB3 LEU 20 HB1 LEU 20 66.818 19.843 -11.056 140 HG LEU 20 HG LEU 20 65.372 21.131 -12.396 141 HD11 LEU 20 HD11 LEU 20 65.517 18.561 -13.979 142 HD12 LEU 20 HD12 LEU 20 66.931 19.571 -13.669 143 HD13 LEU 20 HD13 LEU 20 65.572 20.215 -14.587 144 HD21 LEU 20 HD21 LEU 20 63.501 18.864 -13.029 145 HD22 LEU 20 HD22 LEU 20 63.203 20.598 -13.038 146 HD23 LEU 20 HD23 LEU 20 63.297 19.737 -11.510 147 H ARG 21 HN ARG 21 64.852 16.351 -9.832 148 HA ARG 21 HA ARG 21 66.658 16.574 -7.636 149 HB2 ARG 21 HB2 ARG 21 64.252 16.071 -7.367 150 HB3 ARG 21 HB1 ARG 21 64.505 14.506 -8.141 151 HG2 ARG 21 HG2 ARG 21 66.116 13.899 -6.352 152 HG3 ARG 21 HG1 ARG 21 65.814 15.453 -5.572 153 HD2 ARG 21 HD2 ARG 21 63.690 13.373 -6.146 154 HD3 ARG 21 HD1 ARG 21 64.472 13.599 -4.586 155 HE ARG 21 HE ARG 21 62.458 15.322 -5.780 156 HH11 ARG 21 HH21 ARG 21 65.001 14.944 -3.465 157 HH12 ARG 21 HH22 ARG 21 64.445 16.223 -2.439 158 HH21 ARG 21 HH11 ARG 21 61.722 17.004 -4.441 159 HH22 ARG 21 HH12 ARG 21 62.589 17.390 -2.991 160 H ALA 22 HN ALA 22 66.083 14.097 -10.111 161 HA ALA 22 HA ALA 22 68.207 12.401 -9.073 162 HB1 ALA 22 HB1 ALA 22 67.599 10.886 -10.860 163 HB2 ALA 22 HB2 ALA 22 66.608 12.129 -11.623 164 HB3 ALA 22 HB3 ALA 22 66.130 11.452 -10.066 165 H GLU 23 HN GLU 23 69.946 11.656 -10.463 166 HA GLU 23 HA GLU 23 70.768 13.475 -12.616 167 HB2 GLU 23 HB2 GLU 23 72.343 12.951 -10.093 168 HB3 GLU 23 HB1 GLU 23 73.063 13.596 -11.568 169 HG2 GLU 23 HG2 GLU 23 71.509 15.505 -11.503 170 HG3 GLU 23 HG1 GLU 23 70.764 14.857 -10.045 171 H GLY 24 HN GLY 24 71.259 10.519 -10.763 172 HA2 GLY 24 HA2 GLY 24 72.957 9.360 -12.857 173 HA3 GLY 24 HA1 GLY 24 72.590 8.645 -11.293 174 H LEU 25 HN LEU 25 72.202 6.688 -12.577 175 HA LEU 25 HA LEU 25 69.916 6.606 -14.342 176 HB2 LEU 25 HB2 LEU 25 71.461 4.310 -13.114 177 HB3 LEU 25 HB1 LEU 25 70.388 4.234 -14.510 178 HG LEU 25 HG LEU 25 72.948 5.855 -14.354 179 HD11 LEU 25 HD11 LEU 25 73.101 3.288 -14.480 180 HD12 LEU 25 HD12 LEU 25 73.950 4.199 -15.729 181 HD13 LEU 25 HD13 LEU 25 72.398 3.444 -16.090 182 HD21 LEU 25 HD21 LEU 25 70.790 5.548 -16.444 183 HD22 LEU 25 HD22 LEU 25 72.449 5.886 -16.936 184 HD23 LEU 25 HD23 LEU 25 71.596 7.014 -15.887 185 H GLU 26 HN GLU 26 68.824 4.118 -13.542 186 HA GLU 26 HA GLU 26 66.872 5.012 -11.668 187 HB2 GLU 26 HB2 GLU 26 65.860 2.857 -11.938 188 HB3 GLU 26 HB1 GLU 26 66.479 3.341 -13.514 189 HG2 GLU 26 HG2 GLU 26 67.774 1.399 -11.573 190 HG3 GLU 26 HG1 GLU 26 67.075 1.021 -13.142 191 H CYS 27 HN CYS 27 69.981 4.025 -11.184 192 HA CYS 27 HA CYS 27 69.703 2.352 -8.881 193 HB2 CYS 27 HB2 CYS 27 71.965 3.955 -10.056 194 HB3 CYS 27 HB1 CYS 27 72.148 3.074 -8.538 195 H THR 28 HN THR 28 69.909 2.872 -6.710 196 HA THR 28 HA THR 28 69.235 5.659 -6.029 197 HB THR 28 HB THR 28 68.412 4.783 -3.945 198 HG1 THR 28 HG1 THR 28 68.718 2.176 -4.281 199 HG21 THR 28 HG21 THR 28 67.087 4.444 -6.108 200 HG22 THR 28 HG22 THR 28 66.629 3.424 -4.745 201 HG23 THR 28 HG23 THR 28 67.618 2.764 -6.046 202 H LYS 29 HN LYS 29 70.279 4.274 -3.279 203 HA LYS 29 HA LYS 29 73.133 4.838 -3.593 204 HB2 LYS 29 HB2 LYS 29 72.051 7.015 -2.980 205 HB3 LYS 29 HB1 LYS 29 71.461 6.252 -1.507 206 HG2 LYS 29 HG2 LYS 29 73.982 5.650 -1.127 207 HG3 LYS 29 HG1 LYS 29 74.285 6.932 -2.292 208 HD2 LYS 29 HD2 LYS 29 74.309 8.140 -0.295 209 HD3 LYS 29 HD1 LYS 29 72.625 8.318 -0.764 210 HE2 LYS 29 HE2 LYS 29 72.342 6.061 0.643 211 HE3 LYS 29 HE1 LYS 29 73.811 6.638 1.429 212 HZ1 LYS 29 HZ1 LYS 29 71.135 7.608 1.643 213 HZ2 LYS 29 HZ2 LYS 29 72.228 8.849 1.253 214 HZ3 LYS 29 HZ3 LYS 29 72.475 7.899 2.641 215 H THR 30 HN THR 30 73.667 2.773 -3.034 216 HA THR 30 HA THR 30 73.066 2.055 -0.240 217 HB THR 30 HB THR 30 73.120 -0.410 -1.239 218 HG1 THR 30 HG1 THR 30 73.128 1.031 -3.396 219 HG21 THR 30 HG21 THR 30 71.338 0.502 0.097 220 HG22 THR 30 HG22 THR 30 70.657 -0.314 -1.310 221 HG23 THR 30 HG23 THR 30 70.748 1.447 -1.268 222 H CYS 31 HN CYS 31 74.690 0.817 0.781 223 HA CYS 31 HA CYS 31 77.224 1.651 0.255 224 HB2 CYS 31 HB2 CYS 31 76.044 -0.498 1.893 225 HB3 CYS 31 HB1 CYS 31 77.761 -0.684 1.537 226 H GLN 32 HN GLN 32 75.442 -0.541 -1.560 227 HA GLN 32 HA GLN 32 77.702 -2.042 -2.589 228 HB2 GLN 32 HB2 GLN 32 76.055 -3.040 -4.108 229 HB3 GLN 32 HB1 GLN 32 75.495 -3.091 -2.433 230 HG2 GLN 32 HG2 GLN 32 74.382 -0.794 -3.022 231 HG3 GLN 32 HG1 GLN 32 74.557 -1.317 -4.680 232 HE21 GLN 32 HE21 GLN 32 73.139 -2.344 -1.549 233 HE22 GLN 32 HE22 GLN 32 71.916 -3.295 -2.243 234 H ASN 33 HN ASN 33 75.651 0.664 -3.665 235 HA ASN 33 HA ASN 33 77.382 1.054 -6.058 236 HB2 ASN 33 HB2 ASN 33 74.501 1.729 -5.470 237 HB3 ASN 33 HB1 ASN 33 75.392 2.369 -6.842 238 HD21 ASN 33 HD21 ASN 33 73.100 0.647 -7.189 239 HD22 ASN 33 HD22 ASN 33 73.644 -0.812 -7.864 240 H TYR 34 HN TYR 34 76.818 2.228 -2.973 241 HA TYR 34 HA TYR 34 76.690 4.954 -3.139 242 HB2 TYR 34 HB2 TYR 34 76.870 3.497 -1.061 243 HB3 TYR 34 HB1 TYR 34 78.616 3.513 -1.305 244 HD1 TYR 34 HD2 TYR 34 79.738 5.878 -1.582 245 HD2 TYR 34 HD1 TYR 34 75.846 5.240 0.118 246 HE1 TYR 34 HE2 TYR 34 79.828 8.107 -0.524 247 HE2 TYR 34 HE1 TYR 34 75.948 7.475 1.177 248 HH TYR 34 HH TYR 34 78.648 9.681 0.557 249 H ASP 35 HN ASP 35 79.670 2.901 -3.386 250 HA ASP 35 HA ASP 35 81.159 5.245 -4.384 251 HB2 ASP 35 HB2 ASP 35 82.032 3.892 -2.431 252 HB3 ASP 35 HB1 ASP 35 82.232 2.548 -3.553 253 H LEU 36 HN LEU 36 79.482 2.557 -5.413 254 HA LEU 36 HA LEU 36 81.172 2.158 -7.802 255 HB2 LEU 36 HB2 LEU 36 80.795 -0.018 -7.284 256 HB3 LEU 36 HB1 LEU 36 79.464 0.373 -6.223 257 HG LEU 36 HG LEU 36 77.967 0.599 -8.214 258 HD11 LEU 36 HD11 LEU 36 78.818 0.821 -10.294 259 HD12 LEU 36 HD12 LEU 36 79.617 -0.744 -10.179 260 HD13 LEU 36 HD13 LEU 36 80.450 0.712 -9.640 261 HD21 LEU 36 HD21 LEU 36 79.398 -2.049 -8.381 262 HD22 LEU 36 HD22 LEU 36 77.675 -1.719 -8.547 263 HD23 LEU 36 HD23 LEU 36 78.444 -1.611 -6.966 264 H GLU 37 HN GLU 37 80.478 2.605 -9.800 265 HA GLU 37 HA GLU 37 78.844 4.687 -10.272 266 HB2 GLU 37 HB2 GLU 37 79.336 2.302 -12.056 267 HB3 GLU 37 HB1 GLU 37 78.558 3.785 -12.610 268 HG2 GLU 37 HG2 GLU 37 80.540 5.086 -12.029 269 HG3 GLU 37 HG1 GLU 37 81.313 3.651 -11.353 270 H CYS 38 HN CYS 38 76.781 4.842 -11.433 271 HA CYS 38 HA CYS 38 74.531 4.387 -11.683 272 HB2 CYS 38 HB2 CYS 38 75.483 1.894 -11.735 273 HB3 CYS 38 HB1 CYS 38 74.713 1.811 -10.151 274 H MET 39 HN MET 39 73.722 5.956 -10.347 275 HA MET 39 HA MET 39 72.855 5.150 -7.716 276 HB2 MET 39 HB2 MET 39 74.035 7.217 -6.669 277 HB3 MET 39 HB1 MET 39 74.988 5.763 -6.946 278 HG2 MET 39 HG2 MET 39 75.854 6.671 -9.036 279 HG3 MET 39 HG1 MET 39 74.827 8.097 -8.872 280 HE1 MET 39 HE1 MET 39 76.785 9.284 -9.431 281 HE2 MET 39 HE2 MET 39 78.254 8.371 -9.097 282 HE3 MET 39 HE3 MET 39 77.976 9.905 -8.279 283 H SER 40 HN SER 40 72.264 7.583 -6.610 284 HA SER 40 HA SER 40 70.554 9.126 -6.645 285 HB2 SER 40 HB2 SER 40 72.028 10.576 -7.759 286 HB3 SER 40 HB1 SER 40 72.026 9.600 -9.225 287 HG SER 40 HG SER 40 69.547 10.505 -8.453 288 H MET 41 HN MET 41 68.691 7.918 -6.611 289 HA MET 41 HA MET 41 67.601 6.272 -8.492 290 HB2 MET 41 HB2 MET 41 66.644 6.781 -6.227 291 HB3 MET 41 HB1 MET 41 65.988 8.275 -6.898 292 HG2 MET 41 HG2 MET 41 64.686 7.011 -8.535 293 HG3 MET 41 HG1 MET 41 65.399 5.500 -7.965 294 HE1 MET 41 HE1 MET 41 63.274 4.519 -7.811 295 HE2 MET 41 HE2 MET 41 62.264 4.544 -6.368 296 HE3 MET 41 HE3 MET 41 63.931 3.987 -6.257 297 H GLY 42 HN GLY 42 66.945 6.475 -10.528 298 HA2 GLY 42 HA2 GLY 42 67.172 8.806 -12.036 299 HA3 GLY 42 HA1 GLY 42 66.228 7.399 -12.513 300 H CYS 43 HN CYS 43 64.768 8.982 -13.484 301 HA CYS 43 HA CYS 43 63.331 10.844 -11.864 302 HB2 CYS 43 HB2 CYS 43 63.568 11.142 -14.291 303 HB3 CYS 43 HB1 CYS 43 62.643 9.667 -14.569 304 H VAL 44 HN VAL 44 63.286 8.418 -10.527 305 HA VAL 44 HA VAL 44 60.431 7.613 -10.738 306 HB VAL 44 HB VAL 44 62.858 5.942 -10.046 307 HG11 VAL 44 HG11 VAL 44 61.080 4.105 -9.859 308 HG12 VAL 44 HG12 VAL 44 59.898 5.409 -9.739 309 HG13 VAL 44 HG13 VAL 44 61.162 5.249 -8.519 310 HG21 VAL 44 HG21 VAL 44 60.780 5.840 -12.252 311 HG22 VAL 44 HG22 VAL 44 61.970 4.574 -11.960 312 HG23 VAL 44 HG23 VAL 44 62.500 6.186 -12.435 313 H SER 45 HN SER 45 59.268 7.974 -9.002 314 HA SER 45 HA SER 45 60.443 9.153 -6.657 315 HB2 SER 45 HB2 SER 45 58.185 9.383 -5.846 316 HB3 SER 45 HB1 SER 45 58.194 9.798 -7.557 317 HG SER 45 HG SER 45 57.095 7.616 -6.229 318 H GLY 46 HN GLY 46 60.295 8.333 -4.492 319 HA2 GLY 46 HA2 GLY 46 59.354 5.799 -3.774 320 HA3 GLY 46 HA1 GLY 46 61.042 5.620 -4.237 321 H CYS 47 HN CYS 47 60.839 4.921 -1.854 322 HA CYS 47 HA CYS 47 61.486 7.224 -0.089 323 HB2 CYS 47 HB2 CYS 47 60.530 6.033 1.751 324 HB3 CYS 47 HB1 CYS 47 59.344 6.036 0.449 325 H LEU 48 HN LEU 48 63.477 7.267 0.706 326 HA LEU 48 HA LEU 48 65.017 4.741 0.936 327 HB2 LEU 48 HB2 LEU 48 66.107 7.419 0.033 328 HB3 LEU 48 HB1 LEU 48 66.984 5.894 0.116 329 HG LEU 48 HG LEU 48 64.546 6.354 -1.626 330 HD11 LEU 48 HD11 LEU 48 67.493 6.336 -2.384 331 HD12 LEU 48 HD12 LEU 48 66.479 7.776 -2.302 332 HD13 LEU 48 HD13 LEU 48 66.139 6.525 -3.498 333 HD21 LEU 48 HD21 LEU 48 65.618 4.293 -2.792 334 HD22 LEU 48 HD22 LEU 48 64.807 4.010 -1.259 335 HD23 LEU 48 HD23 LEU 48 66.562 4.110 -1.316 336 H CYS 49 HN CYS 49 66.832 4.923 2.469 337 HA CYS 49 HA CYS 49 66.008 6.213 4.895 338 HB2 CYS 49 HB2 CYS 49 68.786 5.138 4.656 339 HB3 CYS 49 HB1 CYS 49 67.591 4.886 5.921 340 HA PRO 50 HA PRO 50 67.900 10.220 4.977 341 HB2 PRO 50 HB2 PRO 50 69.779 9.056 7.025 342 HB3 PRO 50 HB1 PRO 50 68.920 10.605 7.058 343 HG2 PRO 50 HG2 PRO 50 68.039 8.493 8.441 344 HG3 PRO 50 HG1 PRO 50 66.928 9.653 7.694 345 HD2 PRO 50 HD2 PRO 50 67.464 6.856 6.932 346 HD3 PRO 50 HD1 PRO 50 66.082 7.880 6.508 347 HA PRO 51 HA PRO 51 71.380 10.095 2.229 348 HB2 PRO 51 HB2 PRO 51 72.902 12.262 3.149 349 HB3 PRO 51 HB1 PRO 51 71.512 12.381 2.052 350 HG2 PRO 51 HG2 PRO 51 71.619 12.772 5.013 351 HG3 PRO 51 HG1 PRO 51 70.735 13.698 3.783 352 HD2 PRO 51 HD2 PRO 51 69.457 11.920 5.309 353 HD3 PRO 51 HD1 PRO 51 69.044 12.082 3.593 354 H GLY 52 HN GLY 52 72.214 10.472 5.666 355 HA2 GLY 52 HA2 GLY 52 74.875 9.376 5.322 356 HA3 GLY 52 HA1 GLY 52 74.097 9.779 6.853 357 H MET 53 HN MET 53 71.904 8.086 5.190 358 HA MET 53 HA MET 53 72.771 5.459 6.301 359 HB2 MET 53 HB2 MET 53 69.966 6.585 6.105 360 HB3 MET 53 HB1 MET 53 70.387 4.975 6.694 361 HG2 MET 53 HG2 MET 53 71.356 7.584 7.909 362 HG3 MET 53 HG1 MET 53 70.069 6.582 8.569 363 HE1 MET 53 HE1 MET 53 70.206 4.490 9.555 364 HE2 MET 53 HE2 MET 53 71.631 3.598 10.066 365 HE3 MET 53 HE3 MET 53 71.113 3.525 8.384 366 H VAL 54 HN VAL 54 71.916 3.594 5.246 367 HA VAL 54 HA VAL 54 71.320 3.994 2.378 368 HB VAL 54 HB VAL 54 72.781 1.964 1.960 369 HG11 VAL 54 HG11 VAL 54 73.571 4.324 1.606 370 HG12 VAL 54 HG12 VAL 54 74.869 3.188 1.962 371 HG13 VAL 54 HG13 VAL 54 74.276 4.274 3.219 372 HG21 VAL 54 HG21 VAL 54 74.119 1.023 3.604 373 HG22 VAL 54 HG22 VAL 54 72.693 1.425 4.552 374 HG23 VAL 54 HG23 VAL 54 74.110 2.474 4.603 375 H ARG 55 HN ARG 55 71.059 1.404 1.600 376 HA ARG 55 HA ARG 55 68.917 0.333 3.359 377 HB2 ARG 55 HB2 ARG 55 69.011 0.567 0.348 378 HB3 ARG 55 HB1 ARG 55 67.887 -0.497 1.189 379 HG2 ARG 55 HG2 ARG 55 66.912 1.374 2.375 380 HG3 ARG 55 HG1 ARG 55 68.117 2.480 1.710 381 HD2 ARG 55 HD2 ARG 55 66.011 2.657 0.469 382 HD3 ARG 55 HD1 ARG 55 67.280 2.010 -0.563 383 HE ARG 55 HE ARG 55 64.977 0.532 0.511 384 HH11 ARG 55 HH21 ARG 55 67.976 0.535 -1.233 385 HH12 ARG 55 HH22 ARG 55 67.660 -0.959 -2.046 386 HH21 ARG 55 HH11 ARG 55 64.570 -1.435 -0.550 387 HH22 ARG 55 HH12 ARG 55 65.738 -2.074 -1.659 388 H HIS 56 HN HIS 56 69.475 -1.544 4.166 389 HA HIS 56 HA HIS 56 70.940 -3.493 2.501 390 HB2 HIS 56 HB2 HIS 56 72.667 -2.746 3.902 391 HB3 HIS 56 HB1 HIS 56 71.582 -2.479 5.263 392 HD2 HIS 56 HD2 HIS 56 72.352 -4.360 7.133 393 HE1 HIS 56 HE1 HIS 56 72.677 -7.656 4.535 394 HE2 HIS 56 HE2 HIS 56 72.793 -6.927 6.956 395 H GLU 57 HN GLU 57 69.855 -5.361 2.364 396 HA GLU 57 HA GLU 57 68.173 -6.918 2.743 397 HB2 GLU 57 HB2 GLU 57 69.559 -6.591 5.398 398 HB3 GLU 57 HB1 GLU 57 68.253 -7.759 5.196 399 HG2 GLU 57 HG2 GLU 57 70.663 -7.659 3.372 400 HG3 GLU 57 HG1 GLU 57 70.589 -8.676 4.812 401 H ASN 58 HN ASN 58 66.996 -4.498 2.537 402 HA ASN 58 HA ASN 58 64.994 -3.466 2.949 403 HB2 ASN 58 HB2 ASN 58 64.323 -5.938 3.233 404 HB3 ASN 58 HB1 ASN 58 64.352 -5.611 4.963 405 HD21 ASN 58 HD21 ASN 58 61.938 -6.272 3.496 406 HD22 ASN 58 HD22 ASN 58 60.916 -4.918 3.567 407 H ARG 59 HN ARG 59 67.427 -3.573 5.111 408 HA ARG 59 HA ARG 59 66.010 -1.839 7.056 409 HB2 ARG 59 HB2 ARG 59 67.017 -2.947 8.816 410 HB3 ARG 59 HB1 ARG 59 67.063 -4.273 7.663 411 HG2 ARG 59 HG2 ARG 59 69.426 -3.178 7.018 412 HG3 ARG 59 HG1 ARG 59 69.303 -2.510 8.632 413 HD2 ARG 59 HD2 ARG 59 69.083 -5.456 7.943 414 HD3 ARG 59 HD1 ARG 59 70.527 -4.672 8.578 415 HE ARG 59 HE ARG 59 68.475 -4.052 10.351 416 HH11 ARG 59 HH21 ARG 59 70.056 -6.864 9.098 417 HH12 ARG 59 HH22 ARG 59 69.787 -7.814 10.521 418 HH21 ARG 59 HH11 ARG 59 68.120 -5.288 12.212 419 HH22 ARG 59 HH12 ARG 59 68.691 -6.921 12.284 420 H CYS 60 HN CYS 60 67.210 -0.007 7.824 421 HA CYS 60 HA CYS 60 69.354 0.783 5.951 422 HB2 CYS 60 HB2 CYS 60 67.836 2.591 7.827 423 HB3 CYS 60 HB1 CYS 60 68.875 3.054 6.479 424 H VAL 61 HN VAL 61 71.316 1.084 6.567 425 HA VAL 61 HA VAL 61 71.950 1.398 9.435 426 HB VAL 61 HB VAL 61 73.694 -0.214 9.397 427 HG11 VAL 61 HG11 VAL 61 71.267 -1.009 9.556 428 HG12 VAL 61 HG12 VAL 61 72.467 -2.231 9.132 429 HG13 VAL 61 HG13 VAL 61 71.441 -1.533 7.880 430 HG21 VAL 61 HG21 VAL 61 74.668 0.071 7.240 431 HG22 VAL 61 HG22 VAL 61 73.148 -0.306 6.426 432 HG23 VAL 61 HG23 VAL 61 74.045 -1.580 7.251 433 H ALA 62 HN ALA 62 73.944 2.337 9.851 434 HA ALA 62 HA ALA 62 74.668 4.515 8.126 435 HB1 ALA 62 HB1 ALA 62 76.381 3.427 10.338 436 HB2 ALA 62 HB2 ALA 62 74.872 4.265 10.708 437 HB3 ALA 62 HB3 ALA 62 76.157 5.100 9.831 438 H LEU 63 HN LEU 63 76.478 4.908 6.986 439 HA LEU 63 HA LEU 63 77.331 3.013 5.218 440 HB2 LEU 63 HB2 LEU 63 78.661 5.506 6.256 441 HB3 LEU 63 HB1 LEU 63 79.508 4.487 5.096 442 HG LEU 63 HG LEU 63 78.203 6.336 4.030 443 HD11 LEU 63 HD11 LEU 63 77.695 5.057 2.204 444 HD12 LEU 63 HD12 LEU 63 76.769 3.882 3.126 445 HD13 LEU 63 HD13 LEU 63 78.530 3.803 3.108 446 HD21 LEU 63 HD21 LEU 63 76.369 6.224 5.768 447 HD22 LEU 63 HD22 LEU 63 75.765 4.788 4.943 448 HD23 LEU 63 HD23 LEU 63 75.801 6.340 4.104 449 H GLU 64 HN GLU 64 79.018 3.982 8.193 450 HA GLU 64 HA GLU 64 81.072 2.044 7.965 451 HB2 GLU 64 HB2 GLU 64 81.709 2.684 10.171 452 HB3 GLU 64 HB1 GLU 64 81.127 4.144 9.374 453 HG2 GLU 64 HG2 GLU 64 78.845 3.632 10.410 454 HG3 GLU 64 HG1 GLU 64 79.677 2.432 11.396 455 H ARG 65 HN ARG 65 77.748 1.742 8.814 456 HA ARG 65 HA ARG 65 78.208 -0.701 10.376 457 HB2 ARG 65 HB2 ARG 65 75.717 0.906 9.697 458 HB3 ARG 65 HB1 ARG 65 75.681 -0.591 10.612 459 HG2 ARG 65 HG2 ARG 65 77.491 1.636 11.528 460 HG3 ARG 65 HG1 ARG 65 75.763 1.745 11.864 461 HD2 ARG 65 HD2 ARG 65 75.781 -0.371 12.995 462 HD3 ARG 65 HD1 ARG 65 77.452 -0.660 12.535 463 HE ARG 65 HE ARG 65 78.139 0.795 14.234 464 HH11 ARG 65 HH21 ARG 65 74.725 0.969 13.691 465 HH12 ARG 65 HH22 ARG 65 74.409 1.911 15.110 466 HH21 ARG 65 HH11 ARG 65 77.733 2.032 16.094 467 HH22 ARG 65 HH12 ARG 65 76.111 2.513 16.471 468 H CYS 66 HN CYS 66 77.871 0.188 7.202 469 HA CYS 66 HA CYS 66 76.102 -1.629 6.128 470 HB2 CYS 66 HB2 CYS 66 78.663 -0.457 5.079 471 HB3 CYS 66 HB1 CYS 66 77.662 -1.524 4.096 472 HA PRO 67 HA PRO 67 78.095 -5.563 6.708 473 HB2 PRO 67 HB2 PRO 67 76.931 -7.042 4.777 474 HB3 PRO 67 HB1 PRO 67 75.991 -6.415 6.148 475 HG2 PRO 67 HG2 PRO 67 76.248 -5.298 3.380 476 HG3 PRO 67 HG1 PRO 67 74.786 -5.564 4.343 477 HD2 PRO 67 HD2 PRO 67 75.969 -3.122 4.177 478 HD3 PRO 67 HD1 PRO 67 75.128 -3.669 5.646 479 H CYS 68 HN CYS 68 79.632 -7.010 5.759 480 HA CYS 68 HA CYS 68 81.059 -5.893 3.384 481 HB2 CYS 68 HB2 CYS 68 82.335 -7.840 5.260 482 HB3 CYS 68 HB1 CYS 68 83.046 -6.481 4.391 483 H PHE 69 HN PHE 69 81.723 -7.334 1.721 484 HA PHE 69 HA PHE 69 80.481 -10.037 1.835 485 HB2 PHE 69 HB2 PHE 69 80.922 -8.432 -0.688 486 HB3 PHE 69 HB1 PHE 69 79.901 -9.847 -0.457 487 HD1 PHE 69 HD2 PHE 69 77.790 -9.633 0.969 488 HD2 PHE 69 HD1 PHE 69 80.105 -6.233 -0.289 489 HE1 PHE 69 HE2 PHE 69 75.847 -8.140 1.421 490 HE2 PHE 69 HE1 PHE 69 78.162 -4.751 0.161 491 HZ PHE 69 HZ PHE 69 76.041 -5.693 0.993 492 H HIS 70 HN HIS 70 81.800 -11.667 1.592 493 HA HIS 70 HA HIS 70 84.231 -11.404 -0.022 494 HB2 HIS 70 HB2 HIS 70 84.538 -11.015 2.636 495 HB3 HIS 70 HB1 HIS 70 84.639 -12.773 2.613 496 HD2 HIS 70 HD2 HIS 70 87.062 -9.978 2.346 497 HE1 HIS 70 HE1 HIS 70 88.654 -12.947 -0.196 498 HE2 HIS 70 HE2 HIS 70 89.156 -10.762 0.996 499 H GLN 71 HN GLN 71 84.657 -13.239 -1.164 500 HA GLN 71 HA GLN 71 84.296 -15.326 -2.072 501 HB2 GLN 71 HB2 GLN 71 84.049 -15.953 0.878 502 HB3 GLN 71 HB1 GLN 71 84.145 -17.179 -0.385 503 HG2 GLN 71 HG2 GLN 71 86.224 -15.014 0.030 504 HG3 GLN 71 HG1 GLN 71 86.360 -16.644 0.686 505 HE21 GLN 71 HE21 GLN 71 87.588 -14.895 -1.763 506 HE22 GLN 71 HE22 GLN 71 87.706 -16.083 -2.969 507 H GLY 72 HN GLY 72 81.911 -13.619 -1.855 508 HA2 GLY 72 HA2 GLY 72 79.711 -13.924 -2.497 509 HA3 GLY 72 HA1 GLY 72 79.945 -15.659 -2.347 510 H LYS 73 HN LYS 73 81.024 -14.589 0.504 511 HA LYS 73 HA LYS 73 78.389 -14.942 1.826 512 HB2 LYS 73 HB2 LYS 73 81.229 -15.585 2.534 513 HB3 LYS 73 HB1 LYS 73 80.145 -15.171 3.859 514 HG2 LYS 73 HG2 LYS 73 80.142 -17.585 3.515 515 HG3 LYS 73 HG1 LYS 73 78.568 -16.925 3.073 516 HD2 LYS 73 HD2 LYS 73 79.167 -16.963 0.714 517 HD3 LYS 73 HD1 LYS 73 80.801 -17.498 1.108 518 HE2 LYS 73 HE2 LYS 73 79.506 -19.437 0.452 519 HE3 LYS 73 HE1 LYS 73 79.802 -19.529 2.189 520 HZ1 LYS 73 HZ1 LYS 73 77.322 -18.609 0.847 521 HZ2 LYS 73 HZ2 LYS 73 77.606 -18.473 2.516 522 HZ3 LYS 73 HZ3 LYS 73 77.516 -20.006 1.789 523 H GLU 74 HN GLU 74 77.705 -13.542 3.450 524 HA GLU 74 HA GLU 74 78.879 -10.856 3.262 525 HB2 GLU 74 HB2 GLU 74 76.470 -11.160 2.734 526 HB3 GLU 74 HB1 GLU 74 76.207 -11.717 4.385 527 HG2 GLU 74 HG2 GLU 74 77.044 -9.556 5.245 528 HG3 GLU 74 HG1 GLU 74 77.298 -9.007 3.587 529 H TYR 75 HN TYR 75 79.968 -9.999 4.890 530 HA TYR 75 HA TYR 75 79.763 -11.204 7.592 531 HB2 TYR 75 HB2 TYR 75 82.179 -9.754 6.516 532 HB3 TYR 75 HB1 TYR 75 82.061 -10.746 7.962 533 HD1 TYR 75 HD1 TYR 75 81.810 -10.824 4.270 534 HD2 TYR 75 HD2 TYR 75 82.420 -13.090 7.860 535 HE1 TYR 75 HE1 TYR 75 82.398 -12.796 2.929 536 HE2 TYR 75 HE2 TYR 75 83.016 -15.075 6.504 537 HH TYR 75 HH TYR 75 83.941 -15.492 4.172 538 H ALA 76 HN ALA 76 80.764 -9.520 9.222 539 HA ALA 76 HA ALA 76 79.357 -6.961 8.743 540 HB1 ALA 76 HB1 ALA 76 78.528 -7.077 10.881 541 HB2 ALA 76 HB2 ALA 76 79.960 -7.901 11.507 542 HB3 ALA 76 HB3 ALA 76 78.751 -8.800 10.594 543 HA PRO 77 HA PRO 77 83.005 -4.599 9.612 544 HB2 PRO 77 HB2 PRO 77 81.796 -3.235 11.971 545 HB3 PRO 77 HB1 PRO 77 82.346 -2.542 10.432 546 HG2 PRO 77 HG2 PRO 77 79.747 -2.749 11.024 547 HG3 PRO 77 HG1 PRO 77 80.343 -2.983 9.369 548 HD2 PRO 77 HD2 PRO 77 79.536 -5.058 11.394 549 HD3 PRO 77 HD1 PRO 77 79.203 -4.991 9.650 550 H GLY 78 HN GLY 78 84.914 -4.963 10.684 551 HA2 GLY 78 HA2 GLY 78 86.370 -5.481 12.430 552 HA3 GLY 78 HA1 GLY 78 84.986 -5.590 13.509 553 H GLU 79 HN GLU 79 84.177 -7.360 10.898 554 HA GLU 79 HA GLU 79 84.645 -9.871 12.280 555 HB2 GLU 79 HB2 GLU 79 82.537 -9.163 10.938 556 HB3 GLU 79 HB1 GLU 79 83.481 -9.588 9.510 557 HG2 GLU 79 HG2 GLU 79 82.248 -11.546 10.126 558 HG3 GLU 79 HG1 GLU 79 83.916 -11.834 10.609 559 H THR 80 HN THR 80 86.153 -11.347 11.813 560 HA THR 80 HA THR 80 88.171 -10.663 9.768 561 HB THR 80 HB THR 80 89.727 -11.565 11.162 562 HG1 THR 80 HG1 THR 80 87.923 -13.376 12.332 563 HG21 THR 80 HG21 THR 80 89.181 -11.289 13.505 564 HG22 THR 80 HG22 THR 80 87.458 -11.400 13.146 565 HG23 THR 80 HG23 THR 80 88.390 -10.018 12.575 566 H VAL 81 HN VAL 81 89.000 -12.055 8.374 567 HA VAL 81 HA VAL 81 87.756 -14.700 8.063 568 HB VAL 81 HB VAL 81 87.334 -14.369 5.691 569 HG11 VAL 81 HG11 VAL 81 86.235 -11.997 7.210 570 HG12 VAL 81 HG12 VAL 81 85.616 -13.640 7.376 571 HG13 VAL 81 HG13 VAL 81 85.500 -12.806 5.826 572 HG21 VAL 81 HG21 VAL 81 88.532 -11.632 6.199 573 HG22 VAL 81 HG22 VAL 81 87.573 -12.002 4.768 574 HG23 VAL 81 HG23 VAL 81 89.091 -12.854 5.056 575 H LYS 82 HN LYS 82 89.127 -16.215 6.931 576 HA LYS 82 HA LYS 82 91.905 -15.305 6.813 577 HB2 LYS 82 HB2 LYS 82 91.237 -17.143 8.384 578 HB3 LYS 82 HB1 LYS 82 90.780 -18.099 6.979 579 HG2 LYS 82 HG2 LYS 82 93.021 -18.745 7.624 580 HG3 LYS 82 HG1 LYS 82 93.125 -17.841 6.114 581 HD2 LYS 82 HD2 LYS 82 94.036 -15.948 7.149 582 HD3 LYS 82 HD1 LYS 82 93.409 -16.387 8.740 583 HE2 LYS 82 HE2 LYS 82 95.020 -18.226 8.880 584 HE3 LYS 82 HE1 LYS 82 95.608 -17.854 7.259 585 HZ1 LYS 82 HZ1 LYS 82 95.782 -15.476 8.501 586 HZ2 LYS 82 HZ2 LYS 82 97.070 -16.572 8.334 587 HZ3 LYS 82 HZ3 LYS 82 96.157 -16.541 9.766 588 H ILE 83 HN ILE 83 92.958 -15.339 4.902 589 HA ILE 83 HA ILE 83 91.742 -16.781 2.614 590 HB ILE 83 HB ILE 83 92.994 -14.021 2.477 591 HG12 ILE 83 HG12 ILE 83 90.062 -14.757 2.223 592 HG13 ILE 83 HG11 ILE 83 90.768 -14.140 3.715 593 HG21 ILE 83 HG21 ILE 83 91.996 -14.046 0.202 594 HG22 ILE 83 HG22 ILE 83 91.450 -15.701 0.475 595 HG23 ILE 83 HG23 ILE 83 93.175 -15.341 0.412 596 HD11 ILE 83 HD11 ILE 83 90.619 -12.728 1.043 597 HD12 ILE 83 HD12 ILE 83 91.594 -12.148 2.391 598 HD13 ILE 83 HD13 ILE 83 89.845 -12.255 2.553 599 H GLY 84 HN GLY 84 93.297 -18.444 2.966 600 HA2 GLY 84 HA2 GLY 84 95.319 -19.517 2.709 601 HA3 GLY 84 HA1 GLY 84 95.580 -18.359 1.412 602 H CYS 85 HN CYS 85 96.103 -19.015 4.827 603 HA CYS 85 HA CYS 85 97.686 -18.327 6.309 604 HB2 CYS 85 HB2 CYS 85 99.524 -18.854 5.023 605 HB3 CYS 85 HB1 CYS 85 99.025 -17.828 3.689 606 H ASN 86 HN ASN 86 96.740 -15.928 3.958 607 HA ASN 86 HA ASN 86 97.289 -13.722 5.781 608 HB2 ASN 86 HB2 ASN 86 97.743 -13.479 3.365 609 HB3 ASN 86 HB1 ASN 86 96.034 -13.747 3.024 610 HD21 ASN 86 HD21 ASN 86 97.862 -11.273 2.703 611 HD22 ASN 86 HD22 ASN 86 96.997 -10.035 3.473 612 H THR 87 HN THR 87 95.757 -12.556 6.845 613 HA THR 87 HA THR 87 92.908 -13.344 6.515 614 HB THR 87 HB THR 87 94.152 -14.190 8.644 615 HG1 THR 87 HG1 THR 87 92.198 -14.209 9.613 616 HG21 THR 87 HG21 THR 87 94.312 -12.731 10.463 617 HG22 THR 87 HG22 THR 87 93.274 -11.529 9.694 618 HG23 THR 87 HG23 THR 87 94.925 -11.771 9.117 619 H CYS 88 HN CYS 88 91.370 -11.842 6.953 620 HA CYS 88 HA CYS 88 92.342 -9.048 7.117 621 HB2 CYS 88 HB2 CYS 88 90.215 -9.818 5.129 622 HB3 CYS 88 HB1 CYS 88 91.299 -8.424 5.112 623 H VAL 89 HN VAL 89 90.802 -7.501 7.643 624 HA VAL 89 HA VAL 89 88.336 -8.553 8.864 625 HB VAL 89 HB VAL 89 90.232 -7.977 10.531 626 HG11 VAL 89 HG11 VAL 89 90.560 -5.674 11.065 627 HG12 VAL 89 HG12 VAL 89 89.247 -5.165 10.006 628 HG13 VAL 89 HG13 VAL 89 90.741 -5.793 9.319 629 HG21 VAL 89 HG21 VAL 89 87.556 -6.598 10.769 630 HG22 VAL 89 HG22 VAL 89 88.619 -7.043 12.105 631 HG23 VAL 89 HG23 VAL 89 87.855 -8.294 11.127 632 H CYS 90 HN CYS 90 86.543 -7.384 8.539 633 HA CYS 90 HA CYS 90 86.509 -5.440 6.457 634 HB2 CYS 90 HB2 CYS 90 84.661 -7.018 6.941 635 HB3 CYS 90 HB1 CYS 90 84.362 -6.162 8.456 636 H ARG 91 HN ARG 91 87.219 -3.469 6.714 637 HA ARG 91 HA ARG 91 86.319 -1.887 9.025 638 HB2 ARG 91 HB2 ARG 91 88.702 -2.873 9.283 639 HB3 ARG 91 HB1 ARG 91 89.162 -1.718 8.035 640 HG2 ARG 91 HG2 ARG 91 88.473 0.143 9.386 641 HG3 ARG 91 HG1 ARG 91 87.706 -0.918 10.570 642 HD2 ARG 91 HD2 ARG 91 90.669 -0.901 9.930 643 HD3 ARG 91 HD1 ARG 91 89.937 -0.129 11.336 644 HE ARG 91 HE ARG 91 90.530 -2.906 11.050 645 HH11 ARG 91 HH21 ARG 91 88.224 -0.663 12.334 646 HH12 ARG 91 HH22 ARG 91 87.710 -1.715 13.611 647 HH21 ARG 91 HH11 ARG 91 89.858 -4.284 12.722 648 HH22 ARG 91 HH12 ARG 91 88.634 -3.760 13.831 649 H ASP 92 HN ASP 92 85.382 -0.102 8.248 650 HA ASP 92 HA ASP 92 84.786 1.628 6.887 651 HB2 ASP 92 HB2 ASP 92 87.650 1.327 5.972 652 HB3 ASP 92 HB1 ASP 92 86.574 2.589 5.387 653 H ARG 93 HN ARG 93 83.737 -0.674 6.165 654 HA ARG 93 HA ARG 93 82.798 -1.851 4.420 655 HB2 ARG 93 HB2 ARG 93 83.359 0.821 3.132 656 HB3 ARG 93 HB1 ARG 93 82.465 -0.467 2.323 657 HG2 ARG 93 HG2 ARG 93 80.783 -0.474 4.074 658 HG3 ARG 93 HG1 ARG 93 81.712 0.691 5.021 659 HD2 ARG 93 HD2 ARG 93 79.905 1.823 3.797 660 HD3 ARG 93 HD1 ARG 93 81.480 2.347 3.206 661 HE ARG 93 HE ARG 93 80.331 0.126 1.736 662 HH11 ARG 93 HH21 ARG 93 80.583 3.560 2.102 663 HH12 ARG 93 HH22 ARG 93 80.199 3.901 0.447 664 HH21 ARG 93 HH11 ARG 93 79.838 0.565 -0.431 665 HH22 ARG 93 HH12 ARG 93 79.783 2.202 -0.987 666 H LYS 94 HN LYS 94 85.907 -1.628 4.707 667 HA LYS 94 HA LYS 94 86.463 -3.001 2.142 668 HB2 LYS 94 HB2 LYS 94 88.109 -0.858 3.495 669 HB3 LYS 94 HB1 LYS 94 88.773 -1.955 2.283 670 HG2 LYS 94 HG2 LYS 94 87.053 -1.218 0.674 671 HG3 LYS 94 HG1 LYS 94 86.401 -0.110 1.883 672 HD2 LYS 94 HD2 LYS 94 88.560 1.074 1.972 673 HD3 LYS 94 HD1 LYS 94 89.218 -0.032 0.764 674 HE2 LYS 94 HE2 LYS 94 86.754 1.655 0.300 675 HE3 LYS 94 HE1 LYS 94 88.378 2.165 -0.163 676 HZ1 LYS 94 HZ1 LYS 94 88.251 0.918 -1.971 677 HZ2 LYS 94 HZ2 LYS 94 86.645 0.524 -1.580 678 HZ3 LYS 94 HZ3 LYS 94 87.919 -0.468 -1.050 679 H TRP 95 HN TRP 95 88.330 -4.407 2.270 680 HA TRP 95 HA TRP 95 88.508 -5.704 4.920 681 HB2 TRP 95 HB2 TRP 95 89.093 -6.620 2.100 682 HB3 TRP 95 HB1 TRP 95 89.591 -7.545 3.517 683 HD1 TRP 95 HD1 TRP 95 86.626 -6.781 1.358 684 HE1 TRP 95 HE1 TRP 95 84.548 -8.042 2.241 685 HE3 TRP 95 HE3 TRP 95 88.413 -8.373 5.879 686 HZ2 TRP 95 HZ2 TRP 95 83.770 -9.538 4.544 687 HZ3 TRP 95 HZ3 TRP 95 86.983 -9.726 7.383 688 HH2 TRP 95 HH2 TRP 95 84.664 -10.301 6.727 689 H ASN 96 HN ASN 96 90.330 -5.671 6.074 690 HA ASN 96 HA ASN 96 92.755 -4.457 4.851 691 HB2 ASN 96 HB2 ASN 96 91.793 -4.529 7.715 692 HB3 ASN 96 HB1 ASN 96 93.401 -4.002 7.243 693 HD21 ASN 96 HD21 ASN 96 91.817 -2.970 4.649 694 HD22 ASN 96 HD22 ASN 96 91.270 -1.453 5.173 695 H CYS 97 HN CYS 97 93.717 -6.277 4.044 696 HA CYS 97 HA CYS 97 93.963 -8.687 5.613 697 HB2 CYS 97 HB2 CYS 97 95.157 -7.855 2.967 698 HB3 CYS 97 HB1 CYS 97 95.327 -9.457 3.683 699 H THR 98 HN THR 98 95.668 -9.416 6.728 700 HA THR 98 HA THR 98 97.549 -7.644 7.823 701 HB THR 98 HB THR 98 96.990 -9.662 8.956 702 HG1 THR 98 HG1 THR 98 99.613 -9.422 8.054 703 HG21 THR 98 HG21 THR 98 96.623 -10.968 6.775 704 HG22 THR 98 HG22 THR 98 97.262 -11.844 8.160 705 HG23 THR 98 HG23 THR 98 98.342 -11.331 6.874 706 H ASP 99 HN ASP 99 97.934 -10.174 5.560 707 HA ASP 99 HA ASP 99 99.463 -10.615 3.896 708 HB2 ASP 99 HB2 ASP 99 98.722 -8.324 3.144 709 HB3 ASP 99 HB1 ASP 99 100.112 -7.666 4.006 710 H HIS 100 HN HIS 100 100.199 -10.588 6.781 711 HA HIS 100 HA HIS 100 103.111 -10.065 6.618 712 HB2 HIS 100 HB2 HIS 100 103.139 -9.895 8.969 713 HB3 HIS 100 HB1 HIS 100 101.666 -9.058 8.489 714 HD2 HIS 100 HD2 HIS 100 100.083 -12.160 8.100 715 HE1 HIS 100 HE1 HIS 100 100.507 -12.154 12.294 716 HE2 HIS 100 HE2 HIS 100 99.296 -13.233 10.341 717 H VAL 101 HN VAL 101 104.433 -11.668 7.979 718 HA VAL 101 HA VAL 101 104.651 -14.106 6.826 719 HB VAL 101 HB VAL 101 106.252 -13.278 8.483 720 HG11 VAL 101 HG11 VAL 101 104.258 -14.098 10.607 721 HG12 VAL 101 HG12 VAL 101 104.393 -12.437 10.030 722 HG13 VAL 101 HG13 VAL 101 105.766 -13.210 10.821 723 HG21 VAL 101 HG21 VAL 101 106.771 -15.388 9.509 724 HG22 VAL 101 HG22 VAL 101 106.005 -15.761 7.964 725 HG23 VAL 101 HG23 VAL 101 105.083 -15.898 9.462 726 H CYS 102 HN CYS 102 103.909 -16.228 7.218 727 HA CYS 102 HA CYS 102 101.156 -16.381 8.029 728 HB2 CYS 102 HB2 CYS 102 103.044 -18.626 7.278 729 HB3 CYS 102 HB1 CYS 102 101.282 -18.708 7.346 730 H ASP 103 HN ASP 103 100.946 -16.041 10.171 731 HA ASP 103 HA ASP 103 101.115 -16.382 12.449 732 HB2 ASP 103 HB2 ASP 103 101.283 -19.215 11.401 733 HB3 ASP 103 HB1 ASP 103 101.019 -18.799 13.095 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 57.368 7.294 -12.515 2 H2 GLY 1 HT2 GLY 1 56.198 8.470 -12.884 3 H3 GLY 1 HT3 GLY 1 56.383 7.108 -13.885 4 HA2 GLY 1 HA2 GLY 1 54.500 6.603 -12.646 5 HA3 GLY 1 HA1 GLY 1 55.804 5.741 -11.828 6 H ALA 2 HN ALA 2 53.418 8.191 -11.562 7 HA ALA 2 HA ALA 2 54.433 9.680 -9.385 8 HB1 ALA 2 HB1 ALA 2 51.542 9.094 -10.069 9 HB2 ALA 2 HB2 ALA 2 52.507 10.392 -10.774 10 HB3 ALA 2 HB3 ALA 2 52.129 10.410 -9.051 11 H MET 3 HN MET 3 52.516 6.711 -9.550 12 HA MET 3 HA MET 3 52.301 6.525 -6.656 13 HB2 MET 3 HB2 MET 3 51.489 4.654 -8.890 14 HB3 MET 3 HB1 MET 3 51.208 4.333 -7.180 15 HG2 MET 3 HG2 MET 3 49.875 6.384 -6.990 16 HG3 MET 3 HG1 MET 3 50.199 6.768 -8.679 17 HE1 MET 3 HE1 MET 3 47.554 3.550 -6.866 18 HE2 MET 3 HE2 MET 3 48.850 4.483 -6.123 19 HE3 MET 3 HE3 MET 3 49.239 3.069 -7.099 20 H GLY 4 HN GLY 4 53.420 5.149 -5.337 21 HA2 GLY 4 HA2 GLY 4 54.962 2.952 -6.023 22 HA3 GLY 4 HA1 GLY 4 56.030 4.346 -6.147 23 H SER 5 HN SER 5 53.766 2.728 -3.938 24 HA SER 5 HA SER 5 54.497 4.119 -1.600 25 HB2 SER 5 HB2 SER 5 52.470 2.739 -1.745 26 HB3 SER 5 HB1 SER 5 53.461 1.290 -1.886 27 HG SER 5 HG SER 5 54.082 1.499 0.177 28 H CYS 6 HN CYS 6 55.709 1.106 -3.018 29 HA CYS 6 HA CYS 6 57.560 -0.163 -2.564 30 HB2 CYS 6 HB2 CYS 6 59.566 1.000 -2.603 31 HB3 CYS 6 HB1 CYS 6 58.467 2.227 -3.219 32 H ARG 7 HN ARG 7 59.165 -0.791 -0.839 33 HA ARG 7 HA ARG 7 58.012 -1.656 1.469 34 HB2 ARG 7 HB2 ARG 7 60.685 -0.960 2.217 35 HB3 ARG 7 HB1 ARG 7 60.110 -2.525 1.654 36 HG2 ARG 7 HG2 ARG 7 60.578 -1.947 -0.642 37 HG3 ARG 7 HG1 ARG 7 60.926 -0.274 -0.203 38 HD2 ARG 7 HD2 ARG 7 62.479 -2.644 0.853 39 HD3 ARG 7 HD1 ARG 7 62.976 -1.687 -0.540 40 HE ARG 7 HE ARG 7 63.246 -0.940 2.211 41 HH11 ARG 7 HH21 ARG 7 62.614 0.240 -0.978 42 HH12 ARG 7 HH22 ARG 7 63.246 1.824 -0.667 43 HH21 ARG 7 HH11 ARG 7 64.071 1.134 2.630 44 HH22 ARG 7 HH12 ARG 7 64.071 2.329 1.376 45 HA PRO 8 HA PRO 8 57.111 1.311 4.595 46 HB2 PRO 8 HB2 PRO 8 59.780 0.700 5.831 47 HB3 PRO 8 HB1 PRO 8 58.194 0.867 6.610 48 HG2 PRO 8 HG2 PRO 8 59.317 -1.544 6.013 49 HG3 PRO 8 HG1 PRO 8 57.569 -1.276 6.097 50 HD2 PRO 8 HD2 PRO 8 59.191 -1.878 3.750 51 HD3 PRO 8 HD1 PRO 8 57.424 -1.788 3.875 52 HA PRO 9 HA PRO 9 59.789 4.456 2.605 53 HB2 PRO 9 HB2 PRO 9 57.925 6.397 2.284 54 HB3 PRO 9 HB1 PRO 9 57.978 4.967 1.240 55 HG2 PRO 9 HG2 PRO 9 56.169 5.562 3.528 56 HG3 PRO 9 HG1 PRO 9 55.817 4.759 1.987 57 HD2 PRO 9 HD2 PRO 9 56.284 3.438 4.398 58 HD3 PRO 9 HD1 PRO 9 56.443 2.692 2.792 59 H MET 10 HN MET 10 60.940 6.188 3.411 60 HA MET 10 HA MET 10 60.084 7.319 6.008 61 HB2 MET 10 HB2 MET 10 62.854 6.458 5.130 62 HB3 MET 10 HB1 MET 10 62.513 7.392 6.587 63 HG2 MET 10 HG2 MET 10 61.262 5.627 7.566 64 HG3 MET 10 HG1 MET 10 61.146 4.753 6.040 65 HE1 MET 10 HE1 MET 10 64.300 2.914 5.540 66 HE2 MET 10 HE2 MET 10 63.796 4.377 4.704 67 HE3 MET 10 HE3 MET 10 62.595 3.176 5.168 68 H VAL 11 HN VAL 11 61.952 7.752 2.990 69 HA VAL 11 HA VAL 11 61.545 10.683 3.282 70 HB VAL 11 HB VAL 11 63.971 9.545 1.908 71 HG11 VAL 11 HG11 VAL 11 64.901 11.735 2.499 72 HG12 VAL 11 HG12 VAL 11 63.441 12.127 3.408 73 HG13 VAL 11 HG13 VAL 11 63.367 11.942 1.655 74 HG21 VAL 11 HG21 VAL 11 64.023 8.523 4.104 75 HG22 VAL 11 HG22 VAL 11 63.619 10.057 4.868 76 HG23 VAL 11 HG23 VAL 11 65.182 9.849 4.078 77 H LYS 12 HN LYS 12 60.207 11.289 1.732 78 HA LYS 12 HA LYS 12 60.023 9.774 -0.764 79 HB2 LYS 12 HB2 LYS 12 57.965 10.512 0.468 80 HB3 LYS 12 HB1 LYS 12 58.421 12.183 0.144 81 HG2 LYS 12 HG2 LYS 12 58.336 11.771 -2.270 82 HG3 LYS 12 HG1 LYS 12 57.949 10.073 -1.984 83 HD2 LYS 12 HD2 LYS 12 55.873 10.748 -0.821 84 HD3 LYS 12 HD1 LYS 12 56.255 12.442 -1.132 85 HE2 LYS 12 HE2 LYS 12 54.686 11.659 -2.825 86 HE3 LYS 12 HE1 LYS 12 56.252 11.950 -3.581 87 HZ1 LYS 12 HZ1 LYS 12 55.202 9.318 -2.691 88 HZ2 LYS 12 HZ2 LYS 12 56.741 9.582 -3.361 89 HZ3 LYS 12 HZ3 LYS 12 55.348 9.844 -4.297 90 H LEU 13 HN LEU 13 61.431 10.292 -2.289 91 HA LEU 13 HA LEU 13 62.248 13.118 -2.653 92 HB2 LEU 13 HB2 LEU 13 64.240 12.280 -3.700 93 HB3 LEU 13 HB1 LEU 13 64.027 11.408 -2.187 94 HG LEU 13 HG LEU 13 62.656 9.751 -3.900 95 HD11 LEU 13 HD11 LEU 13 63.516 11.348 -5.780 96 HD12 LEU 13 HD12 LEU 13 63.630 9.609 -6.022 97 HD13 LEU 13 HD13 LEU 13 65.058 10.530 -5.545 98 HD21 LEU 13 HD21 LEU 13 64.397 9.095 -2.299 99 HD22 LEU 13 HD22 LEU 13 65.634 9.699 -3.402 100 HD23 LEU 13 HD23 LEU 13 64.637 8.322 -3.867 101 H VAL 14 HN VAL 14 61.395 14.169 -4.290 102 HA VAL 14 HA VAL 14 60.419 12.616 -6.591 103 HB VAL 14 HB VAL 14 58.719 14.433 -6.882 104 HG11 VAL 14 HG11 VAL 14 58.787 12.988 -4.226 105 HG12 VAL 14 HG12 VAL 14 58.040 12.422 -5.718 106 HG13 VAL 14 HG13 VAL 14 57.358 13.804 -4.858 107 HG21 VAL 14 HG21 VAL 14 59.864 15.348 -4.224 108 HG22 VAL 14 HG22 VAL 14 58.386 15.983 -4.949 109 HG23 VAL 14 HG23 VAL 14 59.940 16.232 -5.749 110 H CYS 15 HN CYS 15 60.335 13.890 -8.611 111 HA CYS 15 HA CYS 15 62.780 15.568 -8.821 112 HB2 CYS 15 HB2 CYS 15 61.371 14.032 -10.998 113 HB3 CYS 15 HB1 CYS 15 62.910 14.887 -11.130 114 HA PRO 16 HA PRO 16 59.560 18.824 -9.351 115 HB2 PRO 16 HB2 PRO 16 62.106 20.352 -9.753 116 HB3 PRO 16 HB1 PRO 16 60.677 20.777 -8.791 117 HG2 PRO 16 HG2 PRO 16 62.903 19.887 -7.634 118 HG3 PRO 16 HG1 PRO 16 61.304 19.439 -7.033 119 HD2 PRO 16 HD2 PRO 16 63.286 17.801 -8.527 120 HD3 PRO 16 HD1 PRO 16 62.083 17.301 -7.339 121 H ALA 17 HN ALA 17 59.473 20.664 -11.108 122 HA ALA 17 HA ALA 17 59.426 19.444 -13.646 123 HB1 ALA 17 HB1 ALA 17 59.211 22.323 -12.768 124 HB2 ALA 17 HB2 ALA 17 57.907 21.246 -13.265 125 HB3 ALA 17 HB3 ALA 17 59.068 21.833 -14.455 126 H ASP 18 HN ASP 18 61.596 21.859 -12.211 127 HA ASP 18 HA ASP 18 63.428 21.536 -14.475 128 HB2 ASP 18 HB2 ASP 18 63.460 23.457 -12.143 129 HB3 ASP 18 HB1 ASP 18 64.682 23.404 -13.411 130 H ASN 19 HN ASN 19 62.805 19.914 -11.767 131 HA ASN 19 HA ASN 19 63.965 18.459 -10.459 132 HB2 ASN 19 HB2 ASN 19 66.124 18.797 -12.522 133 HB3 ASN 19 HB1 ASN 19 66.019 17.504 -11.328 134 HD21 ASN 19 HD21 ASN 19 65.516 17.937 -14.515 135 HD22 ASN 19 HD22 ASN 19 64.190 16.906 -14.763 136 H LEU 20 HN LEU 20 63.952 20.538 -9.059 137 HA LEU 20 HA LEU 20 66.739 21.315 -8.469 138 HB2 LEU 20 HB2 LEU 20 65.731 23.369 -7.437 139 HB3 LEU 20 HB1 LEU 20 65.537 23.258 -9.185 140 HG LEU 20 HG LEU 20 63.361 22.074 -7.499 141 HD11 LEU 20 HD11 LEU 20 63.739 24.175 -6.343 142 HD12 LEU 20 HD12 LEU 20 62.249 24.268 -7.282 143 HD13 LEU 20 HD13 LEU 20 63.716 25.048 -7.874 144 HD21 LEU 20 HD21 LEU 20 63.091 23.881 -9.899 145 HD22 LEU 20 HD22 LEU 20 61.982 22.635 -9.335 146 HD23 LEU 20 HD23 LEU 20 63.503 22.180 -10.099 147 H ARG 21 HN ARG 21 64.957 19.052 -7.437 148 HA ARG 21 HA ARG 21 65.768 19.384 -4.649 149 HB2 ARG 21 HB2 ARG 21 62.893 18.929 -5.463 150 HB3 ARG 21 HB1 ARG 21 63.508 18.628 -3.841 151 HG2 ARG 21 HG2 ARG 21 64.280 21.006 -3.742 152 HG3 ARG 21 HG1 ARG 21 63.518 21.282 -5.305 153 HD2 ARG 21 HD2 ARG 21 62.028 20.232 -2.897 154 HD3 ARG 21 HD1 ARG 21 62.103 21.939 -3.325 155 HE ARG 21 HE ARG 21 61.242 20.556 -5.598 156 HH11 ARG 21 HH21 ARG 21 60.241 21.169 -2.344 157 HH12 ARG 21 HH22 ARG 21 58.548 21.092 -2.702 158 HH21 ARG 21 HH11 ARG 21 59.021 20.457 -6.077 159 HH22 ARG 21 HH12 ARG 21 57.857 20.689 -4.816 160 H ALA 22 HN ALA 22 67.064 17.768 -6.240 161 HA ALA 22 HA ALA 22 65.880 15.077 -6.135 162 HB1 ALA 22 HB1 ALA 22 68.422 16.133 -7.393 163 HB2 ALA 22 HB2 ALA 22 66.944 15.646 -8.225 164 HB3 ALA 22 HB3 ALA 22 67.935 14.438 -7.408 165 H GLU 23 HN GLU 23 66.890 16.710 -3.774 166 HA GLU 23 HA GLU 23 68.062 16.357 -1.830 167 HB2 GLU 23 HB2 GLU 23 67.741 13.513 -2.803 168 HB3 GLU 23 HB1 GLU 23 68.383 13.933 -1.215 169 HG2 GLU 23 HG2 GLU 23 66.310 15.126 -0.670 170 HG3 GLU 23 HG1 GLU 23 65.669 14.774 -2.273 171 H GLY 24 HN GLY 24 70.134 15.460 -0.905 172 HA2 GLY 24 HA2 GLY 24 72.353 16.313 -2.274 173 HA3 GLY 24 HA1 GLY 24 72.413 15.090 -1.007 174 H LEU 25 HN LEU 25 72.668 12.950 -1.540 175 HA LEU 25 HA LEU 25 73.802 12.360 -4.091 176 HB2 LEU 25 HB2 LEU 25 72.944 10.583 -1.796 177 HB3 LEU 25 HB1 LEU 25 73.812 10.002 -3.218 178 HG LEU 25 HG LEU 25 74.819 12.231 -1.430 179 HD11 LEU 25 HD11 LEU 25 76.293 10.590 -0.401 180 HD12 LEU 25 HD12 LEU 25 75.645 9.315 -1.432 181 HD13 LEU 25 HD13 LEU 25 74.621 10.067 -0.211 182 HD21 LEU 25 HD21 LEU 25 76.005 12.465 -3.427 183 HD22 LEU 25 HD22 LEU 25 75.916 10.748 -3.814 184 HD23 LEU 25 HD23 LEU 25 77.038 11.320 -2.580 185 H GLU 26 HN GLU 26 72.913 11.505 -5.872 186 HA GLU 26 HA GLU 26 70.008 11.182 -5.954 187 HB2 GLU 26 HB2 GLU 26 72.140 11.215 -8.096 188 HB3 GLU 26 HB1 GLU 26 70.429 10.932 -8.423 189 HG2 GLU 26 HG2 GLU 26 69.844 13.097 -7.477 190 HG3 GLU 26 HG1 GLU 26 71.518 13.379 -7.002 191 H CYS 27 HN CYS 27 69.390 9.346 -7.652 192 HA CYS 27 HA CYS 27 69.072 7.094 -7.944 193 HB2 CYS 27 HB2 CYS 27 71.527 7.435 -8.698 194 HB3 CYS 27 HB1 CYS 27 71.948 6.661 -7.170 195 H THR 28 HN THR 28 69.972 4.856 -6.731 196 HA THR 28 HA THR 28 68.771 5.056 -4.112 197 HB THR 28 HB THR 28 68.982 2.624 -4.058 198 HG1 THR 28 HG1 THR 28 70.880 2.261 -5.076 199 HG21 THR 28 HG21 THR 28 67.140 3.791 -5.340 200 HG22 THR 28 HG22 THR 28 67.489 2.149 -5.881 201 HG23 THR 28 HG23 THR 28 68.088 3.528 -6.804 202 H LYS 29 HN LYS 29 69.934 3.566 -2.375 203 HA LYS 29 HA LYS 29 72.821 4.041 -2.305 204 HB2 LYS 29 HB2 LYS 29 70.833 5.129 -0.311 205 HB3 LYS 29 HB1 LYS 29 72.522 4.862 0.096 206 HG2 LYS 29 HG2 LYS 29 72.432 6.335 -2.400 207 HG3 LYS 29 HG1 LYS 29 71.364 7.141 -1.257 208 HD2 LYS 29 HD2 LYS 29 74.267 6.420 -0.800 209 HD3 LYS 29 HD1 LYS 29 73.626 8.035 -1.079 210 HE2 LYS 29 HE2 LYS 29 72.135 6.924 1.107 211 HE3 LYS 29 HE1 LYS 29 73.837 6.621 1.431 212 HZ1 LYS 29 HZ1 LYS 29 74.338 8.883 1.233 213 HZ2 LYS 29 HZ2 LYS 29 72.932 8.815 2.185 214 HZ3 LYS 29 HZ3 LYS 29 72.834 9.256 0.548 215 H THR 30 HN THR 30 73.181 1.906 -2.326 216 HA THR 30 HA THR 30 72.349 0.407 0.085 217 HB THR 30 HB THR 30 72.167 -1.614 -1.361 218 HG1 THR 30 HG1 THR 30 71.549 -0.277 -3.596 219 HG21 THR 30 HG21 THR 30 70.111 -0.795 -0.703 220 HG22 THR 30 HG22 THR 30 69.973 -0.771 -2.451 221 HG23 THR 30 HG23 THR 30 70.307 0.719 -1.580 222 H CYS 31 HN CYS 31 73.843 -1.231 0.720 223 HA CYS 31 HA CYS 31 76.492 -0.446 0.500 224 HB2 CYS 31 HB2 CYS 31 75.128 -2.890 1.557 225 HB3 CYS 31 HB1 CYS 31 76.887 -2.863 1.453 226 H GLN 32 HN GLN 32 74.841 -1.543 -1.986 227 HA GLN 32 HA GLN 32 76.980 -3.264 -3.083 228 HB2 GLN 32 HB2 GLN 32 75.241 -3.756 -4.870 229 HB3 GLN 32 HB1 GLN 32 74.884 -4.352 -3.247 230 HG2 GLN 32 HG2 GLN 32 73.534 -2.388 -2.804 231 HG3 GLN 32 HG1 GLN 32 73.832 -1.751 -4.406 232 HE21 GLN 32 HE21 GLN 32 71.786 -1.950 -5.378 233 HE22 GLN 32 HE22 GLN 32 70.920 -3.408 -5.474 234 H ASN 33 HN ASN 33 74.977 -0.426 -3.855 235 HA ASN 33 HA ASN 33 76.778 0.234 -6.096 236 HB2 ASN 33 HB2 ASN 33 74.895 1.752 -6.754 237 HB3 ASN 33 HB1 ASN 33 74.517 0.031 -6.816 238 HD21 ASN 33 HD21 ASN 33 74.766 0.922 -3.609 239 HD22 ASN 33 HD22 ASN 33 73.122 1.192 -3.292 240 H TYR 34 HN TYR 34 76.200 1.061 -2.874 241 HA TYR 34 HA TYR 34 76.200 3.778 -2.667 242 HB2 TYR 34 HB2 TYR 34 76.317 2.183 -0.777 243 HB3 TYR 34 HB1 TYR 34 78.020 1.901 -1.136 244 HD1 TYR 34 HD1 TYR 34 75.530 4.507 -0.232 245 HD2 TYR 34 HD2 TYR 34 79.682 3.440 -0.423 246 HE1 TYR 34 HE1 TYR 34 76.108 6.542 1.058 247 HE2 TYR 34 HE2 TYR 34 80.262 5.480 0.858 248 HH TYR 34 HH TYR 34 78.398 8.037 1.186 249 H ASP 35 HN ASP 35 79.168 1.757 -3.050 250 HA ASP 35 HA ASP 35 80.682 4.144 -3.924 251 HB2 ASP 35 HB2 ASP 35 81.489 1.447 -2.861 252 HB3 ASP 35 HB1 ASP 35 82.639 2.519 -3.660 253 H LEU 36 HN LEU 36 78.977 1.589 -5.207 254 HA LEU 36 HA LEU 36 80.686 1.458 -7.633 255 HB2 LEU 36 HB2 LEU 36 78.675 -0.601 -6.748 256 HB3 LEU 36 HB1 LEU 36 79.790 -0.721 -8.095 257 HG LEU 36 HG LEU 36 80.587 -0.443 -5.188 258 HD11 LEU 36 HD11 LEU 36 79.506 -2.648 -5.969 259 HD12 LEU 36 HD12 LEU 36 81.099 -2.766 -5.222 260 HD13 LEU 36 HD13 LEU 36 80.940 -2.856 -6.975 261 HD21 LEU 36 HD21 LEU 36 82.382 0.466 -6.399 262 HD22 LEU 36 HD22 LEU 36 82.118 -0.591 -7.786 263 HD23 LEU 36 HD23 LEU 36 82.837 -1.233 -6.308 264 H GLU 37 HN GLU 37 79.419 0.961 -9.662 265 HA GLU 37 HA GLU 37 77.879 3.054 -10.431 266 HB2 GLU 37 HB2 GLU 37 77.619 0.178 -11.327 267 HB3 GLU 37 HB1 GLU 37 76.880 1.545 -12.162 268 HG2 GLU 37 HG2 GLU 37 79.081 2.553 -12.522 269 HG3 GLU 37 HG1 GLU 37 79.847 1.246 -11.622 270 H CYS 38 HN CYS 38 75.584 3.293 -10.875 271 HA CYS 38 HA CYS 38 73.876 1.981 -8.829 272 HB2 CYS 38 HB2 CYS 38 74.489 4.506 -8.602 273 HB3 CYS 38 HB1 CYS 38 73.322 4.733 -9.904 274 H MET 39 HN MET 39 71.500 2.195 -9.412 275 HA MET 39 HA MET 39 71.148 1.068 -12.063 276 HB2 MET 39 HB2 MET 39 68.666 1.020 -11.154 277 HB3 MET 39 HB1 MET 39 69.864 -0.100 -10.511 278 HG2 MET 39 HG2 MET 39 69.517 2.595 -9.214 279 HG3 MET 39 HG1 MET 39 68.388 1.291 -8.847 280 HE1 MET 39 HE1 MET 39 69.534 -1.307 -8.510 281 HE2 MET 39 HE2 MET 39 68.675 -0.406 -7.264 282 HE3 MET 39 HE3 MET 39 70.172 -1.242 -6.861 283 H SER 40 HN SER 40 71.165 4.121 -10.794 284 HA SER 40 HA SER 40 70.011 5.253 -13.191 285 HB2 SER 40 HB2 SER 40 68.353 6.648 -11.917 286 HB3 SER 40 HB1 SER 40 67.955 4.935 -11.987 287 HG SER 40 HG SER 40 68.390 4.737 -9.905 288 H MET 41 HN MET 41 70.265 7.599 -13.283 289 HA MET 41 HA MET 41 72.607 8.477 -11.708 290 HB2 MET 41 HB2 MET 41 72.777 8.506 -14.183 291 HB3 MET 41 HB1 MET 41 71.437 9.652 -14.239 292 HG2 MET 41 HG2 MET 41 72.718 11.264 -12.918 293 HG3 MET 41 HG1 MET 41 74.044 10.112 -12.757 294 HE1 MET 41 HE1 MET 41 74.595 12.794 -13.513 295 HE2 MET 41 HE2 MET 41 75.402 12.902 -15.075 296 HE3 MET 41 HE3 MET 41 75.944 11.714 -13.892 297 H GLY 42 HN GLY 42 69.556 9.816 -12.997 298 HA2 GLY 42 HA2 GLY 42 69.623 11.969 -11.008 299 HA3 GLY 42 HA1 GLY 42 68.498 11.819 -12.354 300 H CYS 43 HN CYS 43 67.218 12.496 -10.254 301 HA CYS 43 HA CYS 43 66.474 10.296 -8.530 302 HB2 CYS 43 HB2 CYS 43 64.884 11.890 -7.570 303 HB3 CYS 43 HB1 CYS 43 66.482 12.620 -7.702 304 H VAL 44 HN VAL 44 64.280 9.498 -8.357 305 HA VAL 44 HA VAL 44 62.462 9.959 -10.573 306 HB VAL 44 HB VAL 44 63.954 8.323 -11.586 307 HG11 VAL 44 HG11 VAL 44 63.292 6.133 -9.651 308 HG12 VAL 44 HG12 VAL 44 64.410 7.357 -9.044 309 HG13 VAL 44 HG13 VAL 44 64.796 6.458 -10.508 310 HG21 VAL 44 HG21 VAL 44 61.453 6.847 -10.702 311 HG22 VAL 44 HG22 VAL 44 62.292 6.729 -12.246 312 HG23 VAL 44 HG23 VAL 44 61.397 8.193 -11.840 313 H SER 45 HN SER 45 61.097 10.591 -8.763 314 HA SER 45 HA SER 45 59.969 10.152 -6.727 315 HB2 SER 45 HB2 SER 45 58.549 10.110 -8.836 316 HB3 SER 45 HB1 SER 45 58.529 8.358 -8.657 317 HG SER 45 HG SER 45 57.956 9.955 -6.430 318 H GLY 46 HN GLY 46 61.116 9.013 -5.212 319 HA2 GLY 46 HA2 GLY 46 60.497 6.157 -4.991 320 HA3 GLY 46 HA1 GLY 46 62.200 6.591 -5.100 321 H CYS 47 HN CYS 47 61.084 5.292 -2.950 322 HA CYS 47 HA CYS 47 61.209 7.297 -0.749 323 HB2 CYS 47 HB2 CYS 47 60.088 5.032 0.378 324 HB3 CYS 47 HB1 CYS 47 59.170 6.420 -0.200 325 H LEU 48 HN LEU 48 63.338 7.294 -0.269 326 HA LEU 48 HA LEU 48 64.567 4.686 0.428 327 HB2 LEU 48 HB2 LEU 48 66.174 7.131 -0.273 328 HB3 LEU 48 HB1 LEU 48 66.610 5.428 -0.415 329 HG LEU 48 HG LEU 48 64.485 6.787 -2.102 330 HD11 LEU 48 HD11 LEU 48 67.395 6.161 -2.640 331 HD12 LEU 48 HD12 LEU 48 66.631 7.745 -2.654 332 HD13 LEU 48 HD13 LEU 48 66.239 6.565 -3.905 333 HD21 LEU 48 HD21 LEU 48 64.748 4.730 -3.485 334 HD22 LEU 48 HD22 LEU 48 64.211 4.337 -1.856 335 HD23 LEU 48 HD23 LEU 48 65.894 4.097 -2.306 336 H CYS 49 HN CYS 49 66.691 5.439 1.809 337 HA CYS 49 HA CYS 49 65.510 6.533 4.238 338 HB2 CYS 49 HB2 CYS 49 67.436 4.538 3.640 339 HB3 CYS 49 HB1 CYS 49 68.300 5.789 4.514 340 HA PRO 50 HA PRO 50 67.577 10.369 4.019 341 HB2 PRO 50 HB2 PRO 50 68.478 10.876 6.557 342 HB3 PRO 50 HB1 PRO 50 66.762 10.844 6.121 343 HG2 PRO 50 HG2 PRO 50 68.376 8.848 7.595 344 HG3 PRO 50 HG1 PRO 50 66.642 9.205 7.701 345 HD2 PRO 50 HD2 PRO 50 67.840 7.065 6.295 346 HD3 PRO 50 HD1 PRO 50 66.142 7.560 6.195 347 HA PRO 51 HA PRO 51 71.924 10.417 3.166 348 HB2 PRO 51 HB2 PRO 51 72.298 12.775 4.971 349 HB3 PRO 51 HB1 PRO 51 72.707 12.595 3.254 350 HG2 PRO 51 HG2 PRO 51 70.604 14.042 4.059 351 HG3 PRO 51 HG1 PRO 51 70.575 13.102 2.557 352 HD2 PRO 51 HD2 PRO 51 69.236 12.524 5.165 353 HD3 PRO 51 HD1 PRO 51 68.725 12.134 3.509 354 H GLY 52 HN GLY 52 73.875 9.664 3.986 355 HA2 GLY 52 HA2 GLY 52 75.458 9.043 5.596 356 HA3 GLY 52 HA1 GLY 52 74.345 9.550 6.864 357 H MET 53 HN MET 53 72.251 7.956 5.277 358 HA MET 53 HA MET 53 72.944 5.281 6.397 359 HB2 MET 53 HB2 MET 53 70.639 6.958 6.777 360 HB3 MET 53 HB1 MET 53 70.115 5.529 5.904 361 HG2 MET 53 HG2 MET 53 69.951 5.176 8.322 362 HG3 MET 53 HG1 MET 53 71.159 4.098 7.620 363 HE1 MET 53 HE1 MET 53 71.603 3.740 9.976 364 HE2 MET 53 HE2 MET 53 70.922 5.107 10.854 365 HE3 MET 53 HE3 MET 53 72.634 4.729 11.018 366 H VAL 54 HN VAL 54 72.475 3.441 5.285 367 HA VAL 54 HA VAL 54 71.792 3.780 2.432 368 HB VAL 54 HB VAL 54 73.519 2.086 1.863 369 HG11 VAL 54 HG11 VAL 54 74.256 4.340 1.695 370 HG12 VAL 54 HG12 VAL 54 75.543 3.471 2.531 371 HG13 VAL 54 HG13 VAL 54 74.424 4.492 3.441 372 HG21 VAL 54 HG21 VAL 54 75.178 1.468 3.647 373 HG22 VAL 54 HG22 VAL 54 73.564 0.826 3.947 374 HG23 VAL 54 HG23 VAL 54 74.126 2.241 4.831 375 H ARG 55 HN ARG 55 70.500 2.220 1.569 376 HA ARG 55 HA ARG 55 69.017 0.613 3.408 377 HB2 ARG 55 HB2 ARG 55 69.027 0.903 0.405 378 HB3 ARG 55 HB1 ARG 55 67.991 -0.267 1.217 379 HG2 ARG 55 HG2 ARG 55 66.901 1.501 2.472 380 HG3 ARG 55 HG1 ARG 55 68.033 2.698 1.838 381 HD2 ARG 55 HD2 ARG 55 65.885 2.762 0.619 382 HD3 ARG 55 HD1 ARG 55 67.216 2.303 -0.437 383 HE ARG 55 HE ARG 55 65.687 0.115 0.771 384 HH11 ARG 55 HH21 ARG 55 66.282 2.181 -1.953 385 HH12 ARG 55 HH22 ARG 55 65.549 1.110 -3.096 386 HH21 ARG 55 HH11 ARG 55 64.728 -1.290 -0.737 387 HH22 ARG 55 HH12 ARG 55 64.669 -0.849 -2.410 388 H HIS 56 HN HIS 56 69.529 -1.325 4.129 389 HA HIS 56 HA HIS 56 71.116 -3.152 2.453 390 HB2 HIS 56 HB2 HIS 56 72.816 -2.639 3.953 391 HB3 HIS 56 HB1 HIS 56 71.688 -2.148 5.214 392 HD2 HIS 56 HD2 HIS 56 71.547 -4.012 7.231 393 HE1 HIS 56 HE1 HIS 56 72.577 -7.417 4.988 394 HE2 HIS 56 HE2 HIS 56 71.953 -6.589 7.293 395 H GLU 57 HN GLU 57 69.949 -4.892 2.053 396 HA GLU 57 HA GLU 57 68.320 -6.508 2.243 397 HB2 GLU 57 HB2 GLU 57 69.375 -6.320 5.065 398 HB3 GLU 57 HB1 GLU 57 68.178 -7.522 4.588 399 HG2 GLU 57 HG2 GLU 57 70.872 -7.169 3.248 400 HG3 GLU 57 HG1 GLU 57 70.527 -8.366 4.495 401 H ASN 58 HN ASN 58 67.448 -3.782 2.377 402 HA ASN 58 HA ASN 58 65.385 -2.771 2.577 403 HB2 ASN 58 HB2 ASN 58 64.398 -4.949 4.410 404 HB3 ASN 58 HB1 ASN 58 63.496 -3.957 3.270 405 HD21 ASN 58 HD21 ASN 58 64.823 -7.036 3.664 406 HD22 ASN 58 HD22 ASN 58 64.891 -7.490 2.030 407 H ARG 59 HN ARG 59 67.713 -3.033 4.750 408 HA ARG 59 HA ARG 59 66.245 -1.568 6.865 409 HB2 ARG 59 HB2 ARG 59 68.787 -3.205 7.176 410 HB3 ARG 59 HB1 ARG 59 67.795 -2.533 8.467 411 HG2 ARG 59 HG2 ARG 59 66.136 -4.157 8.233 412 HG3 ARG 59 HG1 ARG 59 66.526 -4.476 6.548 413 HD2 ARG 59 HD2 ARG 59 68.512 -5.695 7.138 414 HD3 ARG 59 HD1 ARG 59 68.395 -5.191 8.824 415 HE ARG 59 HE ARG 59 66.018 -6.512 8.240 416 HH11 ARG 59 HH21 ARG 59 69.410 -7.159 8.233 417 HH12 ARG 59 HH22 ARG 59 69.231 -8.842 8.606 418 HH21 ARG 59 HH11 ARG 59 65.766 -8.711 8.726 419 HH22 ARG 59 HH12 ARG 59 67.162 -9.722 8.886 420 H CYS 60 HN CYS 60 67.317 0.230 7.771 421 HA CYS 60 HA CYS 60 69.388 1.382 6.018 422 HB2 CYS 60 HB2 CYS 60 67.684 2.644 8.166 423 HB3 CYS 60 HB1 CYS 60 68.862 3.489 7.160 424 H VAL 61 HN VAL 61 71.379 1.582 6.608 425 HA VAL 61 HA VAL 61 72.102 1.491 9.473 426 HB VAL 61 HB VAL 61 73.816 -0.127 9.137 427 HG11 VAL 61 HG11 VAL 61 71.423 -0.962 9.288 428 HG12 VAL 61 HG12 VAL 61 72.519 -2.080 8.474 429 HG13 VAL 61 HG13 VAL 61 71.416 -1.080 7.529 430 HG21 VAL 61 HG21 VAL 61 74.765 0.422 7.036 431 HG22 VAL 61 HG22 VAL 61 73.211 0.335 6.210 432 HG23 VAL 61 HG23 VAL 61 74.008 -1.140 6.736 433 H ALA 62 HN ALA 62 74.095 2.399 9.972 434 HA ALA 62 HA ALA 62 74.861 4.680 8.361 435 HB1 ALA 62 HB1 ALA 62 76.424 3.543 10.665 436 HB2 ALA 62 HB2 ALA 62 74.935 4.452 10.931 437 HB3 ALA 62 HB3 ALA 62 76.311 5.217 10.133 438 H LEU 63 HN LEU 63 76.820 5.114 7.445 439 HA LEU 63 HA LEU 63 77.760 3.224 5.697 440 HB2 LEU 63 HB2 LEU 63 78.771 5.825 6.707 441 HB3 LEU 63 HB1 LEU 63 80.003 4.804 5.984 442 HG LEU 63 HG LEU 63 78.860 6.400 4.400 443 HD11 LEU 63 HD11 LEU 63 79.273 3.486 4.036 444 HD12 LEU 63 HD12 LEU 63 79.838 4.848 3.077 445 HD13 LEU 63 HD13 LEU 63 78.217 4.222 2.831 446 HD21 LEU 63 HD21 LEU 63 76.558 5.745 5.591 447 HD22 LEU 63 HD22 LEU 63 76.530 4.533 4.319 448 HD23 LEU 63 HD23 LEU 63 76.610 6.240 3.901 449 H GLU 64 HN GLU 64 79.417 4.185 8.720 450 HA GLU 64 HA GLU 64 81.451 2.294 8.575 451 HB2 GLU 64 HB2 GLU 64 81.373 2.556 11.168 452 HB3 GLU 64 HB1 GLU 64 81.742 3.972 10.182 453 HG2 GLU 64 HG2 GLU 64 79.522 4.818 10.379 454 HG3 GLU 64 HG1 GLU 64 78.923 3.297 11.026 455 H ARG 65 HN ARG 65 78.065 1.840 9.165 456 HA ARG 65 HA ARG 65 78.531 -0.777 10.436 457 HB2 ARG 65 HB2 ARG 65 76.080 0.944 10.006 458 HB3 ARG 65 HB1 ARG 65 76.008 -0.685 10.665 459 HG2 ARG 65 HG2 ARG 65 77.412 -0.041 12.538 460 HG3 ARG 65 HG1 ARG 65 77.661 1.560 11.847 461 HD2 ARG 65 HD2 ARG 65 75.266 2.024 12.009 462 HD3 ARG 65 HD1 ARG 65 74.991 0.416 12.668 463 HE ARG 65 HE ARG 65 76.119 2.699 14.078 464 HH11 ARG 65 HH21 ARG 65 75.677 -0.728 13.912 465 HH12 ARG 65 HH22 ARG 65 75.957 -0.985 15.602 466 HH21 ARG 65 HH11 ARG 65 76.494 2.369 16.297 467 HH22 ARG 65 HH12 ARG 65 76.418 0.767 16.951 468 H CYS 66 HN CYS 66 78.273 0.530 7.372 469 HA CYS 66 HA CYS 66 76.493 -1.041 6.010 470 HB2 CYS 66 HB2 CYS 66 77.600 0.720 4.863 471 HB3 CYS 66 HB1 CYS 66 79.187 0.025 5.196 472 HA PRO 67 HA PRO 67 78.185 -5.187 6.934 473 HB2 PRO 67 HB2 PRO 67 76.554 -5.814 4.494 474 HB3 PRO 67 HB1 PRO 67 76.607 -6.653 6.057 475 HG2 PRO 67 HG2 PRO 67 74.576 -5.045 5.398 476 HG3 PRO 67 HG1 PRO 67 75.183 -5.146 7.061 477 HD2 PRO 67 HD2 PRO 67 75.516 -2.952 5.069 478 HD3 PRO 67 HD1 PRO 67 75.496 -2.890 6.847 479 H CYS 68 HN CYS 68 79.696 -6.613 5.953 480 HA CYS 68 HA CYS 68 81.079 -5.481 3.581 481 HB2 CYS 68 HB2 CYS 68 82.294 -7.630 5.258 482 HB3 CYS 68 HB1 CYS 68 83.049 -6.227 4.507 483 H PHE 69 HN PHE 69 82.070 -7.050 2.108 484 HA PHE 69 HA PHE 69 80.597 -9.594 1.865 485 HB2 PHE 69 HB2 PHE 69 81.031 -7.619 -0.387 486 HB3 PHE 69 HB1 PHE 69 80.244 -9.190 -0.522 487 HD1 PHE 69 HD1 PHE 69 80.023 -5.940 1.320 488 HD2 PHE 69 HD2 PHE 69 77.905 -9.351 -0.207 489 HE1 PHE 69 HE1 PHE 69 77.867 -4.884 1.938 490 HE2 PHE 69 HE2 PHE 69 75.745 -8.287 0.409 491 HZ PHE 69 HZ PHE 69 75.727 -6.040 1.459 492 H HIS 70 HN HIS 70 81.841 -11.236 1.457 493 HA HIS 70 HA HIS 70 84.347 -10.871 -0.025 494 HB2 HIS 70 HB2 HIS 70 84.575 -10.779 2.638 495 HB3 HIS 70 HB1 HIS 70 84.529 -12.532 2.474 496 HD2 HIS 70 HD2 HIS 70 87.157 -9.878 2.441 497 HE1 HIS 70 HE1 HIS 70 88.656 -12.871 -0.130 498 HE2 HIS 70 HE2 HIS 70 89.249 -10.758 1.150 499 H GLN 71 HN GLN 71 84.606 -12.457 -1.479 500 HA GLN 71 HA GLN 71 84.237 -14.401 -2.646 501 HB2 GLN 71 HB2 GLN 71 84.125 -15.412 0.204 502 HB3 GLN 71 HB1 GLN 71 84.078 -16.478 -1.199 503 HG2 GLN 71 HG2 GLN 71 86.255 -14.433 -0.743 504 HG3 GLN 71 HG1 GLN 71 86.383 -16.111 -0.222 505 HE21 GLN 71 HE21 GLN 71 87.519 -14.242 -2.603 506 HE22 GLN 71 HE22 GLN 71 87.479 -15.326 -3.909 507 H GLY 72 HN GLY 72 81.932 -12.757 -2.326 508 HA2 GLY 72 HA2 GLY 72 79.715 -12.924 -2.923 509 HA3 GLY 72 HA1 GLY 72 79.897 -14.673 -2.954 510 H LYS 73 HN LYS 73 81.053 -13.915 -0.028 511 HA LYS 73 HA LYS 73 78.431 -14.356 1.283 512 HB2 LYS 73 HB2 LYS 73 81.275 -15.054 1.930 513 HB3 LYS 73 HB1 LYS 73 80.182 -14.776 3.282 514 HG2 LYS 73 HG2 LYS 73 80.153 -17.137 2.744 515 HG3 LYS 73 HG1 LYS 73 78.604 -16.444 2.269 516 HD2 LYS 73 HD2 LYS 73 79.364 -16.267 -0.048 517 HD3 LYS 73 HD1 LYS 73 80.946 -16.900 0.406 518 HE2 LYS 73 HE2 LYS 73 79.907 -19.008 1.128 519 HE3 LYS 73 HE1 LYS 73 78.316 -18.375 0.706 520 HZ1 LYS 73 HZ1 LYS 73 80.504 -18.491 -1.273 521 HZ2 LYS 73 HZ2 LYS 73 78.832 -18.358 -1.546 522 HZ3 LYS 73 HZ3 LYS 73 79.492 -19.824 -0.996 523 H GLU 74 HN GLU 74 77.677 -13.062 2.899 524 HA GLU 74 HA GLU 74 78.865 -10.396 2.994 525 HB2 GLU 74 HB2 GLU 74 76.469 -10.640 2.432 526 HB3 GLU 74 HB1 GLU 74 76.199 -11.356 4.021 527 HG2 GLU 74 HG2 GLU 74 76.996 -9.302 5.106 528 HG3 GLU 74 HG1 GLU 74 77.329 -8.585 3.531 529 H TYR 75 HN TYR 75 79.948 -9.677 4.688 530 HA TYR 75 HA TYR 75 79.685 -11.111 7.279 531 HB2 TYR 75 HB2 TYR 75 82.143 -9.700 6.237 532 HB3 TYR 75 HB1 TYR 75 82.009 -10.664 7.702 533 HD1 TYR 75 HD1 TYR 75 81.756 -10.790 4.011 534 HD2 TYR 75 HD2 TYR 75 82.233 -13.024 7.633 535 HE1 TYR 75 HE1 TYR 75 82.266 -12.801 2.708 536 HE2 TYR 75 HE2 TYR 75 82.748 -15.049 6.310 537 HH TYR 75 HH TYR 75 83.692 -15.524 3.968 538 H ALA 76 HN ALA 76 80.708 -9.613 9.064 539 HA ALA 76 HA ALA 76 79.384 -6.985 8.767 540 HB1 ALA 76 HB1 ALA 76 78.775 -8.972 10.512 541 HB2 ALA 76 HB2 ALA 76 78.472 -7.265 10.836 542 HB3 ALA 76 HB3 ALA 76 79.916 -8.047 11.484 543 HA PRO 77 HA PRO 77 83.065 -4.766 9.844 544 HB2 PRO 77 HB2 PRO 77 81.794 -3.566 12.264 545 HB3 PRO 77 HB1 PRO 77 82.417 -2.765 10.809 546 HG2 PRO 77 HG2 PRO 77 79.799 -2.955 11.261 547 HG3 PRO 77 HG1 PRO 77 80.463 -3.110 9.623 548 HD2 PRO 77 HD2 PRO 77 79.533 -5.276 11.490 549 HD3 PRO 77 HD1 PRO 77 79.264 -5.089 9.743 550 H GLY 78 HN GLY 78 84.948 -5.197 10.962 551 HA2 GLY 78 HA2 GLY 78 86.349 -5.883 12.689 552 HA3 GLY 78 HA1 GLY 78 84.931 -6.062 13.719 553 H GLU 79 HN GLU 79 84.156 -7.655 10.979 554 HA GLU 79 HA GLU 79 84.603 -10.255 12.176 555 HB2 GLU 79 HB2 GLU 79 82.556 -9.447 10.763 556 HB3 GLU 79 HB1 GLU 79 83.583 -9.788 9.372 557 HG2 GLU 79 HG2 GLU 79 82.304 -11.763 9.797 558 HG3 GLU 79 HG1 GLU 79 83.946 -12.092 10.342 559 H THR 80 HN THR 80 86.173 -11.640 11.699 560 HA THR 80 HA THR 80 88.239 -10.843 9.733 561 HB THR 80 HB THR 80 89.759 -11.655 11.177 562 HG1 THR 80 HG1 THR 80 89.591 -13.651 12.127 563 HG21 THR 80 HG21 THR 80 89.088 -11.654 13.524 564 HG22 THR 80 HG22 THR 80 87.396 -11.832 13.065 565 HG23 THR 80 HG23 THR 80 88.263 -10.352 12.684 566 H VAL 81 HN VAL 81 89.013 -12.137 8.240 567 HA VAL 81 HA VAL 81 87.863 -14.839 7.936 568 HB VAL 81 HB VAL 81 87.457 -14.455 5.527 569 HG11 VAL 81 HG11 VAL 81 85.710 -14.066 7.325 570 HG12 VAL 81 HG12 VAL 81 85.421 -13.210 5.810 571 HG13 VAL 81 HG13 VAL 81 86.077 -12.346 7.200 572 HG21 VAL 81 HG21 VAL 81 88.163 -11.588 6.224 573 HG22 VAL 81 HG22 VAL 81 87.458 -12.108 4.694 574 HG23 VAL 81 HG23 VAL 81 89.073 -12.650 5.153 575 H LYS 82 HN LYS 82 89.174 -16.304 6.651 576 HA LYS 82 HA LYS 82 91.951 -15.441 6.686 577 HB2 LYS 82 HB2 LYS 82 90.670 -17.706 7.636 578 HB3 LYS 82 HB1 LYS 82 91.294 -18.279 6.094 579 HG2 LYS 82 HG2 LYS 82 92.950 -16.894 8.228 580 HG3 LYS 82 HG1 LYS 82 92.901 -18.637 7.958 581 HD2 LYS 82 HD2 LYS 82 93.702 -18.296 5.651 582 HD3 LYS 82 HD1 LYS 82 93.772 -16.562 5.930 583 HE2 LYS 82 HE2 LYS 82 95.997 -17.400 6.272 584 HE3 LYS 82 HE1 LYS 82 95.338 -17.032 7.865 585 HZ1 LYS 82 HZ1 LYS 82 95.557 -19.693 6.577 586 HZ2 LYS 82 HZ2 LYS 82 94.657 -19.413 7.990 587 HZ3 LYS 82 HZ3 LYS 82 96.337 -19.161 7.986 588 H ILE 83 HN ILE 83 93.053 -15.135 4.839 589 HA ILE 83 HA ILE 83 91.900 -16.188 2.302 590 HB ILE 83 HB ILE 83 93.177 -13.464 2.665 591 HG12 ILE 83 HG12 ILE 83 90.267 -14.214 2.227 592 HG13 ILE 83 HG11 ILE 83 90.942 -13.680 3.765 593 HG21 ILE 83 HG21 ILE 83 93.462 -14.473 0.428 594 HG22 ILE 83 HG22 ILE 83 92.342 -13.114 0.363 595 HG23 ILE 83 HG23 ILE 83 91.726 -14.765 0.338 596 HD11 ILE 83 HD11 ILE 83 90.030 -11.715 2.809 597 HD12 ILE 83 HD12 ILE 83 90.655 -12.106 1.207 598 HD13 ILE 83 HD13 ILE 83 91.760 -11.600 2.484 599 H GLY 84 HN GLY 84 93.305 -17.743 1.733 600 HA2 GLY 84 HA2 GLY 84 95.271 -18.739 1.075 601 HA3 GLY 84 HA1 GLY 84 95.923 -17.113 0.881 602 H CYS 85 HN CYS 85 97.591 -16.614 2.152 603 HA CYS 85 HA CYS 85 98.083 -18.214 4.590 604 HB2 CYS 85 HB2 CYS 85 99.839 -16.826 2.612 605 HB3 CYS 85 HB1 CYS 85 100.412 -16.967 4.275 606 H ASN 86 HN ASN 86 96.672 -15.404 3.759 607 HA ASN 86 HA ASN 86 97.437 -14.046 6.288 608 HB2 ASN 86 HB2 ASN 86 96.994 -11.900 5.076 609 HB3 ASN 86 HB1 ASN 86 98.426 -12.769 4.529 610 HD21 ASN 86 HD21 ASN 86 98.536 -12.467 2.297 611 HD22 ASN 86 HD22 ASN 86 97.228 -12.668 1.233 612 H THR 87 HN THR 87 95.878 -12.679 7.168 613 HA THR 87 HA THR 87 93.057 -13.478 6.614 614 HB THR 87 HB THR 87 94.329 -14.078 8.840 615 HG1 THR 87 HG1 THR 87 91.806 -13.037 9.265 616 HG21 THR 87 HG21 THR 87 94.763 -11.558 9.195 617 HG22 THR 87 HG22 THR 87 94.194 -12.497 10.573 618 HG23 THR 87 HG23 THR 87 93.066 -11.489 9.667 619 H CYS 88 HN CYS 88 91.449 -12.016 6.826 620 HA CYS 88 HA CYS 88 92.300 -9.184 6.884 621 HB2 CYS 88 HB2 CYS 88 91.449 -10.589 4.571 622 HB3 CYS 88 HB1 CYS 88 90.105 -9.547 5.009 623 H VAL 89 HN VAL 89 90.854 -7.689 7.602 624 HA VAL 89 HA VAL 89 88.376 -8.742 8.786 625 HB VAL 89 HB VAL 89 90.415 -8.293 10.401 626 HG11 VAL 89 HG11 VAL 89 89.233 -5.518 10.281 627 HG12 VAL 89 HG12 VAL 89 90.706 -5.962 9.422 628 HG13 VAL 89 HG13 VAL 89 90.649 -6.063 11.178 629 HG21 VAL 89 HG21 VAL 89 88.066 -8.817 11.047 630 HG22 VAL 89 HG22 VAL 89 87.714 -7.094 11.018 631 HG23 VAL 89 HG23 VAL 89 88.880 -7.740 12.173 632 H CYS 90 HN CYS 90 86.629 -7.494 8.600 633 HA CYS 90 HA CYS 90 86.622 -5.406 6.641 634 HB2 CYS 90 HB2 CYS 90 84.741 -6.996 7.109 635 HB3 CYS 90 HB1 CYS 90 84.489 -6.167 8.641 636 H ARG 91 HN ARG 91 87.563 -3.549 7.090 637 HA ARG 91 HA ARG 91 86.713 -2.066 9.496 638 HB2 ARG 91 HB2 ARG 91 88.977 -3.038 9.899 639 HB3 ARG 91 HB1 ARG 91 89.562 -2.182 8.472 640 HG2 ARG 91 HG2 ARG 91 88.988 -0.037 9.463 641 HG3 ARG 91 HG1 ARG 91 88.249 -0.839 10.849 642 HD2 ARG 91 HD2 ARG 91 90.479 -1.883 11.347 643 HD3 ARG 91 HD1 ARG 91 91.175 -0.897 10.064 644 HE ARG 91 HE ARG 91 89.780 0.801 11.826 645 HH11 ARG 91 HH21 ARG 91 92.532 -1.293 11.726 646 HH12 ARG 91 HH22 ARG 91 93.427 -0.402 12.912 647 HH21 ARG 91 HH11 ARG 91 90.946 1.974 13.381 648 HH22 ARG 91 HH12 ARG 91 92.529 1.449 13.849 649 H ASP 92 HN ASP 92 85.823 -0.236 8.853 650 HA ASP 92 HA ASP 92 85.344 1.665 7.668 651 HB2 ASP 92 HB2 ASP 92 88.109 1.297 6.473 652 HB3 ASP 92 HB1 ASP 92 87.121 2.746 6.383 653 H ARG 93 HN ARG 93 84.128 -0.493 6.792 654 HA ARG 93 HA ARG 93 83.037 -1.382 4.952 655 HB2 ARG 93 HB2 ARG 93 83.965 1.113 3.508 656 HB3 ARG 93 HB1 ARG 93 82.508 0.168 3.207 657 HG2 ARG 93 HG2 ARG 93 81.534 0.866 5.303 658 HG3 ARG 93 HG1 ARG 93 83.035 1.638 5.809 659 HD2 ARG 93 HD2 ARG 93 81.369 2.466 3.420 660 HD3 ARG 93 HD1 ARG 93 81.401 3.278 4.982 661 HE ARG 93 HE ARG 93 83.994 2.987 3.694 662 HH11 ARG 93 HH21 ARG 93 81.188 4.920 4.257 663 HH12 ARG 93 HH22 ARG 93 81.958 6.413 3.840 664 HH21 ARG 93 HH11 ARG 93 85.020 4.944 3.153 665 HH22 ARG 93 HH12 ARG 93 84.129 6.428 3.221 666 H LYS 94 HN LYS 94 86.229 -1.340 5.201 667 HA LYS 94 HA LYS 94 86.611 -2.695 2.599 668 HB2 LYS 94 HB2 LYS 94 88.375 -0.625 3.912 669 HB3 LYS 94 HB1 LYS 94 88.971 -1.740 2.683 670 HG2 LYS 94 HG2 LYS 94 87.209 -0.940 1.130 671 HG3 LYS 94 HG1 LYS 94 86.674 0.213 2.352 672 HD2 LYS 94 HD2 LYS 94 88.923 1.250 2.343 673 HD3 LYS 94 HD1 LYS 94 89.430 0.119 1.087 674 HE2 LYS 94 HE2 LYS 94 87.104 2.037 0.818 675 HE3 LYS 94 HE1 LYS 94 88.722 2.339 0.182 676 HZ1 LYS 94 HZ1 LYS 94 86.820 0.211 -0.603 677 HZ2 LYS 94 HZ2 LYS 94 88.469 0.154 -1.012 678 HZ3 LYS 94 HZ3 LYS 94 87.495 1.425 -1.580 679 H TRP 95 HN TRP 95 88.491 -4.155 2.649 680 HA TRP 95 HA TRP 95 88.631 -5.551 5.237 681 HB2 TRP 95 HB2 TRP 95 89.279 -6.349 2.392 682 HB3 TRP 95 HB1 TRP 95 89.668 -7.352 3.785 683 HD1 TRP 95 HD1 TRP 95 86.815 -6.295 1.589 684 HE1 TRP 95 HE1 TRP 95 84.659 -7.534 2.316 685 HE3 TRP 95 HE3 TRP 95 88.420 -8.324 5.994 686 HZ2 TRP 95 HZ2 TRP 95 83.777 -9.207 4.458 687 HZ3 TRP 95 HZ3 TRP 95 86.902 -9.757 7.341 688 HH2 TRP 95 HH2 TRP 95 84.585 -10.179 6.588 689 H ASN 96 HN ASN 96 90.451 -5.655 6.402 690 HA ASN 96 HA ASN 96 92.925 -4.442 5.270 691 HB2 ASN 96 HB2 ASN 96 91.764 -4.450 8.050 692 HB3 ASN 96 HB1 ASN 96 93.493 -4.226 7.810 693 HD21 ASN 96 HD21 ASN 96 90.380 -2.932 6.508 694 HD22 ASN 96 HD22 ASN 96 90.941 -1.334 6.377 695 H CYS 97 HN CYS 97 94.138 -6.076 4.554 696 HA CYS 97 HA CYS 97 94.188 -8.642 5.915 697 HB2 CYS 97 HB2 CYS 97 95.421 -7.616 3.383 698 HB3 CYS 97 HB1 CYS 97 95.799 -9.212 4.035 699 H THR 98 HN THR 98 95.675 -9.498 7.110 700 HA THR 98 HA THR 98 97.499 -7.911 8.477 701 HB THR 98 HB THR 98 97.449 -10.893 8.080 702 HG1 THR 98 HG1 THR 98 95.664 -9.642 9.164 703 HG21 THR 98 HG21 THR 98 98.789 -10.898 10.164 704 HG22 THR 98 HG22 THR 98 98.937 -9.145 10.018 705 HG23 THR 98 HG23 THR 98 99.623 -10.197 8.786 706 H ASP 99 HN ASP 99 98.004 -10.139 5.863 707 HA ASP 99 HA ASP 99 99.535 -10.109 4.150 708 HB2 ASP 99 HB2 ASP 99 100.990 -7.787 5.389 709 HB3 ASP 99 HB1 ASP 99 100.851 -8.231 3.691 710 H HIS 100 HN HIS 100 99.906 -11.030 7.118 711 HA HIS 100 HA HIS 100 102.779 -11.333 7.327 712 HB2 HIS 100 HB2 HIS 100 102.196 -12.852 9.232 713 HB3 HIS 100 HB1 HIS 100 101.530 -11.232 9.388 714 HD2 HIS 100 HD2 HIS 100 99.207 -12.717 6.915 715 HE1 HIS 100 HE1 HIS 100 97.660 -14.057 10.596 716 HE2 HIS 100 HE2 HIS 100 97.168 -13.788 8.124 717 H VAL 101 HN VAL 101 103.860 -13.410 7.363 718 HA VAL 101 HA VAL 101 102.955 -15.144 5.201 719 HB VAL 101 HB VAL 101 105.445 -15.378 6.896 720 HG11 VAL 101 HG11 VAL 101 104.627 -16.450 4.181 721 HG12 VAL 101 HG12 VAL 101 104.943 -17.390 5.640 722 HG13 VAL 101 HG13 VAL 101 106.265 -16.550 4.828 723 HG21 VAL 101 HG21 VAL 101 106.547 -14.161 5.018 724 HG22 VAL 101 HG22 VAL 101 105.362 -13.161 5.859 725 HG23 VAL 101 HG23 VAL 101 104.961 -13.881 4.301 726 H CYS 102 HN CYS 102 102.070 -17.110 5.437 727 HA CYS 102 HA CYS 102 101.149 -17.986 7.968 728 HB2 CYS 102 HB2 CYS 102 100.457 -20.046 6.711 729 HB3 CYS 102 HB1 CYS 102 99.865 -18.538 6.022 730 H ASP 103 HN ASP 103 103.508 -19.319 5.772 731 HA ASP 103 HA ASP 103 104.422 -21.329 7.610 732 HB2 ASP 103 HB2 ASP 103 105.571 -20.267 5.026 733 HB3 ASP 103 HB1 ASP 103 106.334 -21.550 5.961 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 56.448 -0.490 -6.773 2 H2 GLY 1 HT2 GLY 1 56.464 -0.323 -5.083 3 H3 GLY 1 HT3 GLY 1 56.954 0.968 -6.072 4 HA2 GLY 1 HA2 GLY 1 54.565 0.749 -7.049 5 HA3 GLY 1 HA1 GLY 1 54.251 -0.014 -5.488 6 H ALA 2 HN ALA 2 52.886 1.782 -4.943 7 HA ALA 2 HA ALA 2 53.759 4.471 -4.879 8 HB1 ALA 2 HB1 ALA 2 51.615 3.003 -3.337 9 HB2 ALA 2 HB2 ALA 2 51.410 4.032 -4.754 10 HB3 ALA 2 HB3 ALA 2 51.876 4.743 -3.210 11 H MET 3 HN MET 3 53.949 1.834 -2.536 12 HA MET 3 HA MET 3 55.980 3.331 -1.041 13 HB2 MET 3 HB2 MET 3 53.808 3.869 0.048 14 HB3 MET 3 HB1 MET 3 53.548 2.145 0.318 15 HG2 MET 3 HG2 MET 3 55.587 2.018 1.669 16 HG3 MET 3 HG1 MET 3 55.931 3.714 1.346 17 HE1 MET 3 HE1 MET 3 52.173 2.163 2.330 18 HE2 MET 3 HE2 MET 3 52.785 1.766 3.932 19 HE3 MET 3 HE3 MET 3 53.610 1.149 2.505 20 H GLY 4 HN GLY 4 57.653 1.995 -0.945 21 HA2 GLY 4 HA2 GLY 4 57.222 -0.914 -0.964 22 HA3 GLY 4 HA1 GLY 4 58.747 -0.083 -1.256 23 H SER 5 HN SER 5 59.171 -2.020 0.349 24 HA SER 5 HA SER 5 58.517 -1.875 3.056 25 HB2 SER 5 HB2 SER 5 60.486 -3.251 3.441 26 HB3 SER 5 HB1 SER 5 59.691 -3.778 1.959 27 HG SER 5 HG SER 5 61.206 -2.351 0.857 28 H CYS 6 HN CYS 6 58.827 -0.276 4.448 29 HA CYS 6 HA CYS 6 61.403 1.109 4.559 30 HB2 CYS 6 HB2 CYS 6 58.836 2.685 4.330 31 HB3 CYS 6 HB1 CYS 6 60.484 3.297 4.329 32 H ARG 7 HN ARG 7 61.822 0.490 6.630 33 HA ARG 7 HA ARG 7 59.742 0.756 8.677 34 HB2 ARG 7 HB2 ARG 7 62.343 -0.653 8.452 35 HB3 ARG 7 HB1 ARG 7 61.985 -0.004 10.057 36 HG2 ARG 7 HG2 ARG 7 61.173 -2.288 9.873 37 HG3 ARG 7 HG1 ARG 7 59.808 -1.181 10.007 38 HD2 ARG 7 HD2 ARG 7 59.290 -1.366 7.701 39 HD3 ARG 7 HD1 ARG 7 60.857 -2.076 7.321 40 HE ARG 7 HE ARG 7 59.516 -3.763 9.142 41 HH11 ARG 7 HH21 ARG 7 59.345 -2.594 5.897 42 HH12 ARG 7 HH22 ARG 7 58.574 -4.014 5.275 43 HH21 ARG 7 HH11 ARG 7 58.506 -5.635 8.343 44 HH22 ARG 7 HH12 ARG 7 58.097 -5.741 6.663 45 HA PRO 8 HA PRO 8 62.831 3.912 10.490 46 HB2 PRO 8 HB2 PRO 8 65.156 4.484 9.131 47 HB3 PRO 8 HB1 PRO 8 65.032 3.177 10.328 48 HG2 PRO 8 HG2 PRO 8 64.856 3.024 7.344 49 HG3 PRO 8 HG1 PRO 8 65.752 1.987 8.471 50 HD2 PRO 8 HD2 PRO 8 63.366 1.209 7.457 51 HD3 PRO 8 HD1 PRO 8 63.867 0.823 9.121 52 HA PRO 9 HA PRO 9 61.450 7.363 8.055 53 HB2 PRO 9 HB2 PRO 9 63.936 8.928 8.630 54 HB3 PRO 9 HB1 PRO 9 62.249 9.332 8.986 55 HG2 PRO 9 HG2 PRO 9 63.966 8.591 10.904 56 HG3 PRO 9 HG1 PRO 9 62.249 8.152 10.963 57 HD2 PRO 9 HD2 PRO 9 64.609 6.443 10.262 58 HD3 PRO 9 HD1 PRO 9 63.108 6.016 11.111 59 H MET 10 HN MET 10 61.653 6.374 6.030 60 HA MET 10 HA MET 10 64.152 6.592 4.553 61 HB2 MET 10 HB2 MET 10 61.504 5.301 3.988 62 HB3 MET 10 HB1 MET 10 62.734 5.443 2.739 63 HG2 MET 10 HG2 MET 10 63.198 4.170 5.448 64 HG3 MET 10 HG1 MET 10 62.796 3.257 3.996 65 HE1 MET 10 HE1 MET 10 64.033 3.311 1.873 66 HE2 MET 10 HE2 MET 10 64.762 2.027 2.833 67 HE3 MET 10 HE3 MET 10 65.789 3.099 1.885 68 H VAL 11 HN VAL 11 61.822 8.715 5.185 69 HA VAL 11 HA VAL 11 61.100 10.661 4.223 70 HB VAL 11 HB VAL 11 63.224 10.693 2.127 71 HG11 VAL 11 HG11 VAL 11 62.677 12.545 4.473 72 HG12 VAL 11 HG12 VAL 11 61.852 12.665 2.919 73 HG13 VAL 11 HG13 VAL 11 63.596 12.913 3.012 74 HG21 VAL 11 HG21 VAL 11 64.622 9.507 3.567 75 HG22 VAL 11 HG22 VAL 11 63.832 10.120 5.023 76 HG23 VAL 11 HG23 VAL 11 64.911 11.154 4.100 77 H LYS 12 HN LYS 12 59.468 11.035 2.857 78 HA LYS 12 HA LYS 12 59.036 9.182 0.650 79 HB2 LYS 12 HB2 LYS 12 57.373 11.437 1.794 80 HB3 LYS 12 HB1 LYS 12 56.885 10.440 0.423 81 HG2 LYS 12 HG2 LYS 12 56.981 8.429 1.789 82 HG3 LYS 12 HG1 LYS 12 57.615 9.351 3.151 83 HD2 LYS 12 HD2 LYS 12 55.298 9.132 3.619 84 HD3 LYS 12 HD1 LYS 12 55.470 10.765 2.983 85 HE2 LYS 12 HE2 LYS 12 54.638 10.105 0.826 86 HE3 LYS 12 HE1 LYS 12 54.723 8.394 1.248 87 HZ1 LYS 12 HZ1 LYS 12 52.924 10.446 2.407 88 HZ2 LYS 12 HZ2 LYS 12 53.090 8.874 3.031 89 HZ3 LYS 12 HZ3 LYS 12 52.481 9.108 1.462 90 H LEU 13 HN LEU 13 59.357 9.625 -1.427 91 HA LEU 13 HA LEU 13 60.040 12.410 -2.197 92 HB2 LEU 13 HB2 LEU 13 61.778 11.632 -3.572 93 HB3 LEU 13 HB1 LEU 13 61.951 10.716 -2.080 94 HG LEU 13 HG LEU 13 60.280 9.031 -3.464 95 HD11 LEU 13 HD11 LEU 13 60.614 9.043 -5.748 96 HD12 LEU 13 HD12 LEU 13 62.160 9.870 -5.640 97 HD13 LEU 13 HD13 LEU 13 60.662 10.769 -5.442 98 HD21 LEU 13 HD21 LEU 13 62.424 8.455 -2.373 99 HD22 LEU 13 HD22 LEU 13 63.271 9.054 -3.803 100 HD23 LEU 13 HD23 LEU 13 62.198 7.661 -3.926 101 H VAL 14 HN VAL 14 59.007 13.184 -3.938 102 HA VAL 14 HA VAL 14 57.500 11.324 -5.656 103 HB VAL 14 HB VAL 14 55.650 13.055 -5.677 104 HG11 VAL 14 HG11 VAL 14 54.773 12.331 -3.443 105 HG12 VAL 14 HG12 VAL 14 56.367 11.671 -3.073 106 HG13 VAL 14 HG13 VAL 14 55.417 10.995 -4.396 107 HG21 VAL 14 HG21 VAL 14 55.604 14.611 -3.741 108 HG22 VAL 14 HG22 VAL 14 56.965 14.947 -4.810 109 HG23 VAL 14 HG23 VAL 14 57.226 14.084 -3.294 110 H CYS 15 HN CYS 15 56.905 12.260 -7.755 111 HA CYS 15 HA CYS 15 59.130 13.588 -8.933 112 HB2 CYS 15 HB2 CYS 15 56.402 13.121 -10.153 113 HB3 CYS 15 HB1 CYS 15 57.912 13.409 -11.018 114 HA PRO 16 HA PRO 16 57.809 17.768 -7.672 115 HB2 PRO 16 HB2 PRO 16 59.575 18.470 -9.990 116 HB3 PRO 16 HB1 PRO 16 59.522 19.173 -8.361 117 HG2 PRO 16 HG2 PRO 16 61.436 17.451 -9.094 118 HG3 PRO 16 HG1 PRO 16 60.773 17.487 -7.450 119 HD2 PRO 16 HD2 PRO 16 60.383 15.464 -9.594 120 HD3 PRO 16 HD1 PRO 16 60.282 15.280 -7.841 121 H ALA 17 HN ALA 17 57.083 19.791 -9.018 122 HA ALA 17 HA ALA 17 54.810 19.093 -10.508 123 HB1 ALA 17 HB1 ALA 17 54.771 21.544 -11.108 124 HB2 ALA 17 HB2 ALA 17 56.295 21.708 -10.235 125 HB3 ALA 17 HB3 ALA 17 54.836 21.210 -9.378 126 H ASP 18 HN ASP 18 57.983 20.324 -11.479 127 HA ASP 18 HA ASP 18 57.313 19.780 -14.287 128 HB2 ASP 18 HB2 ASP 18 59.657 21.233 -13.046 129 HB3 ASP 18 HB1 ASP 18 59.439 20.977 -14.776 130 H ASN 19 HN ASN 19 58.338 18.068 -11.781 131 HA ASN 19 HA ASN 19 59.532 16.149 -11.495 132 HB2 ASN 19 HB2 ASN 19 59.344 16.067 -14.494 133 HB3 ASN 19 HB1 ASN 19 59.895 14.734 -13.482 134 HD21 ASN 19 HD21 ASN 19 57.553 14.486 -15.120 135 HD22 ASN 19 HD22 ASN 19 56.204 14.359 -14.097 136 H LEU 20 HN LEU 20 61.222 17.897 -10.883 137 HA LEU 20 HA LEU 20 63.574 17.599 -12.641 138 HB2 LEU 20 HB2 LEU 20 64.418 19.697 -11.576 139 HB3 LEU 20 HB1 LEU 20 62.976 19.916 -12.563 140 HG LEU 20 HG LEU 20 62.554 19.328 -9.651 141 HD11 LEU 20 HD11 LEU 20 64.334 20.980 -9.535 142 HD12 LEU 20 HD12 LEU 20 62.800 21.710 -9.063 143 HD13 LEU 20 HD13 LEU 20 63.470 22.023 -10.664 144 HD21 LEU 20 HD21 LEU 20 60.766 19.762 -11.504 145 HD22 LEU 20 HD22 LEU 20 61.226 21.451 -11.336 146 HD23 LEU 20 HD23 LEU 20 60.572 20.577 -9.951 147 H ARG 21 HN ARG 21 62.474 16.034 -10.199 148 HA ARG 21 HA ARG 21 65.133 15.579 -9.068 149 HB2 ARG 21 HB2 ARG 21 62.751 16.402 -7.411 150 HB3 ARG 21 HB1 ARG 21 64.181 15.639 -6.736 151 HG2 ARG 21 HG2 ARG 21 65.573 17.476 -7.689 152 HG3 ARG 21 HG1 ARG 21 64.101 18.262 -8.254 153 HD2 ARG 21 HD2 ARG 21 63.269 18.425 -5.960 154 HD3 ARG 21 HD1 ARG 21 64.710 17.605 -5.367 155 HE ARG 21 HE ARG 21 65.329 19.962 -6.903 156 HH11 ARG 21 HH21 ARG 21 64.355 18.722 -3.823 157 HH12 ARG 21 HH22 ARG 21 65.014 20.048 -2.926 158 HH21 ARG 21 HH11 ARG 21 66.200 21.705 -5.732 159 HH22 ARG 21 HH12 ARG 21 66.060 21.737 -4.006 160 H ALA 22 HN ALA 22 63.957 13.912 -10.785 161 HA ALA 22 HA ALA 22 62.496 11.873 -9.249 162 HB1 ALA 22 HB1 ALA 22 62.994 12.339 -12.177 163 HB2 ALA 22 HB2 ALA 22 61.457 12.206 -11.323 164 HB3 ALA 22 HB3 ALA 22 62.443 10.770 -11.592 165 H GLU 23 HN GLU 23 63.482 10.190 -8.410 166 HA GLU 23 HA GLU 23 65.515 8.692 -9.663 167 HB2 GLU 23 HB2 GLU 23 67.403 9.246 -8.156 168 HB3 GLU 23 HB1 GLU 23 66.954 10.606 -9.179 169 HG2 GLU 23 HG2 GLU 23 65.635 11.571 -7.348 170 HG3 GLU 23 HG1 GLU 23 66.042 10.203 -6.315 171 H GLY 24 HN GLY 24 63.040 8.333 -8.221 172 HA2 GLY 24 HA2 GLY 24 63.709 7.226 -5.626 173 HA3 GLY 24 HA1 GLY 24 62.126 7.210 -6.395 174 H LEU 25 HN LEU 25 64.095 6.160 -8.746 175 HA LEU 25 HA LEU 25 63.233 3.469 -8.590 176 HB2 LEU 25 HB2 LEU 25 65.287 4.905 -10.258 177 HB3 LEU 25 HB1 LEU 25 65.055 3.169 -10.406 178 HG LEU 25 HG LEU 25 62.732 5.099 -10.595 179 HD11 LEU 25 HD11 LEU 25 64.488 5.666 -12.293 180 HD12 LEU 25 HD12 LEU 25 62.984 5.096 -13.011 181 HD13 LEU 25 HD13 LEU 25 64.374 4.016 -12.902 182 HD21 LEU 25 HD21 LEU 25 61.915 2.896 -10.338 183 HD22 LEU 25 HD22 LEU 25 63.229 2.190 -11.271 184 HD23 LEU 25 HD23 LEU 25 61.954 3.083 -12.087 185 H GLU 26 HN GLU 26 64.134 1.685 -7.745 186 HA GLU 26 HA GLU 26 65.871 1.684 -5.649 187 HB2 GLU 26 HB2 GLU 26 65.520 -0.444 -7.770 188 HB3 GLU 26 HB1 GLU 26 66.388 -0.700 -6.255 189 HG2 GLU 26 HG2 GLU 26 64.380 -0.139 -4.974 190 HG3 GLU 26 HG1 GLU 26 63.504 0.212 -6.463 191 H CYS 27 HN CYS 27 68.119 0.770 -5.529 192 HA CYS 27 HA CYS 27 70.333 0.653 -6.200 193 HB2 CYS 27 HB2 CYS 27 69.164 0.374 -8.592 194 HB3 CYS 27 HB1 CYS 27 69.838 1.985 -8.833 195 H THR 28 HN THR 28 68.543 3.144 -5.406 196 HA THR 28 HA THR 28 69.736 5.507 -6.196 197 HB THR 28 HB THR 28 69.138 6.335 -3.860 198 HG1 THR 28 HG1 THR 28 67.671 4.489 -2.975 199 HG21 THR 28 HG21 THR 28 67.059 4.773 -5.418 200 HG22 THR 28 HG22 THR 28 67.564 6.431 -5.746 201 HG23 THR 28 HG23 THR 28 66.719 6.046 -4.246 202 H LYS 29 HN LYS 29 70.472 4.234 -2.975 203 HA LYS 29 HA LYS 29 73.330 4.263 -3.524 204 HB2 LYS 29 HB2 LYS 29 73.675 5.638 -1.369 205 HB3 LYS 29 HB1 LYS 29 73.237 6.503 -2.837 206 HG2 LYS 29 HG2 LYS 29 70.970 6.743 -2.148 207 HG3 LYS 29 HG1 LYS 29 71.161 5.588 -0.838 208 HD2 LYS 29 HD2 LYS 29 72.766 8.148 -0.958 209 HD3 LYS 29 HD1 LYS 29 71.175 8.084 -0.207 210 HE2 LYS 29 HE2 LYS 29 72.160 6.069 1.152 211 HE3 LYS 29 HE1 LYS 29 73.727 6.721 0.675 212 HZ1 LYS 29 HZ1 LYS 29 72.329 8.911 1.465 213 HZ2 LYS 29 HZ2 LYS 29 73.496 8.088 2.384 214 HZ3 LYS 29 HZ3 LYS 29 71.847 7.726 2.581 215 H THR 30 HN THR 30 73.742 2.211 -2.946 216 HA THR 30 HA THR 30 73.125 1.479 -0.178 217 HB THR 30 HB THR 30 71.414 0.232 -0.836 218 HG1 THR 30 HG1 THR 30 72.496 -1.512 -0.424 219 HG21 THR 30 HG21 THR 30 72.541 0.519 -3.572 220 HG22 THR 30 HG22 THR 30 70.991 1.065 -2.936 221 HG23 THR 30 HG23 THR 30 71.262 -0.650 -3.251 222 H CYS 31 HN CYS 31 74.346 -0.342 0.559 223 HA CYS 31 HA CYS 31 76.996 -0.144 0.200 224 HB2 CYS 31 HB2 CYS 31 75.386 -2.622 0.852 225 HB3 CYS 31 HB1 CYS 31 77.147 -2.609 0.911 226 H GLN 32 HN GLN 32 74.817 -1.666 -2.006 227 HA GLN 32 HA GLN 32 76.796 -3.159 -3.443 228 HB2 GLN 32 HB2 GLN 32 74.972 -3.539 -5.066 229 HB3 GLN 32 HB1 GLN 32 74.467 -3.877 -3.408 230 HG2 GLN 32 HG2 GLN 32 73.613 -1.487 -3.322 231 HG3 GLN 32 HG1 GLN 32 73.855 -1.415 -5.051 232 HE21 GLN 32 HE21 GLN 32 72.099 -3.283 -2.539 233 HE22 GLN 32 HE22 GLN 32 70.824 -3.743 -3.561 234 H ASN 33 HN ASN 33 75.111 -0.030 -4.058 235 HA ASN 33 HA ASN 33 76.995 0.453 -6.295 236 HB2 ASN 33 HB2 ASN 33 75.277 1.546 -7.420 237 HB3 ASN 33 HB1 ASN 33 74.382 0.284 -6.579 238 HD21 ASN 33 HD21 ASN 33 73.852 3.313 -7.387 239 HD22 ASN 33 HD22 ASN 33 73.133 3.930 -5.979 240 H TYR 34 HN TYR 34 76.515 1.220 -3.128 241 HA TYR 34 HA TYR 34 76.510 3.928 -2.827 242 HB2 TYR 34 HB2 TYR 34 76.646 2.237 -0.973 243 HB3 TYR 34 HB1 TYR 34 78.371 2.078 -1.306 244 HD1 TYR 34 HD1 TYR 34 75.711 4.499 -0.377 245 HD2 TYR 34 HD2 TYR 34 79.927 3.691 -0.481 246 HE1 TYR 34 HE1 TYR 34 76.125 6.519 0.997 247 HE2 TYR 34 HE2 TYR 34 80.343 5.714 0.894 248 HH TYR 34 HH TYR 34 78.640 8.109 1.202 249 H ASP 35 HN ASP 35 79.432 1.886 -3.367 250 HA ASP 35 HA ASP 35 80.951 4.306 -4.117 251 HB2 ASP 35 HB2 ASP 35 82.921 2.808 -3.886 252 HB3 ASP 35 HB1 ASP 35 81.995 2.950 -2.393 253 H LEU 36 HN LEU 36 79.102 1.949 -5.476 254 HA LEU 36 HA LEU 36 80.674 1.863 -7.978 255 HB2 LEU 36 HB2 LEU 36 80.522 -0.382 -7.567 256 HB3 LEU 36 HB1 LEU 36 79.103 -0.218 -6.555 257 HG LEU 36 HG LEU 36 77.729 0.148 -8.618 258 HD11 LEU 36 HD11 LEU 36 79.873 0.890 -9.948 259 HD12 LEU 36 HD12 LEU 36 78.675 -0.076 -10.800 260 HD13 LEU 36 HD13 LEU 36 80.140 -0.830 -10.181 261 HD21 LEU 36 HD21 LEU 36 79.365 -2.396 -8.606 262 HD22 LEU 36 HD22 LEU 36 77.809 -2.177 -9.406 263 HD23 LEU 36 HD23 LEU 36 77.915 -2.096 -7.647 264 H GLU 37 HN GLU 37 79.862 2.874 -9.683 265 HA GLU 37 HA GLU 37 77.550 4.472 -9.521 266 HB2 GLU 37 HB2 GLU 37 79.075 3.487 -11.944 267 HB3 GLU 37 HB1 GLU 37 77.845 4.749 -11.982 268 HG2 GLU 37 HG2 GLU 37 80.376 4.853 -10.314 269 HG3 GLU 37 HG1 GLU 37 80.155 5.676 -11.858 270 H CYS 38 HN CYS 38 75.512 4.270 -10.500 271 HA CYS 38 HA CYS 38 74.744 1.771 -11.772 272 HB2 CYS 38 HB2 CYS 38 74.464 1.016 -9.537 273 HB3 CYS 38 HB1 CYS 38 73.741 2.542 -9.029 274 H MET 39 HN MET 39 72.982 2.006 -13.062 275 HA MET 39 HA MET 39 72.060 4.704 -13.566 276 HB2 MET 39 HB2 MET 39 71.260 2.058 -14.810 277 HB3 MET 39 HB1 MET 39 70.802 3.653 -15.411 278 HG2 MET 39 HG2 MET 39 72.700 3.053 -16.705 279 HG3 MET 39 HG1 MET 39 73.328 4.160 -15.485 280 HE1 MET 39 HE1 MET 39 76.015 1.358 -16.265 281 HE2 MET 39 HE2 MET 39 75.318 2.877 -16.823 282 HE3 MET 39 HE3 MET 39 74.596 1.348 -17.321 283 H SER 40 HN SER 40 70.096 5.566 -13.120 284 HA SER 40 HA SER 40 67.778 4.102 -12.411 285 HB2 SER 40 HB2 SER 40 67.691 4.786 -9.996 286 HB3 SER 40 HB1 SER 40 68.912 3.568 -10.353 287 HG SER 40 HG SER 40 70.477 5.087 -10.201 288 H MET 41 HN MET 41 67.000 5.628 -13.947 289 HA MET 41 HA MET 41 66.435 8.288 -12.770 290 HB2 MET 41 HB2 MET 41 67.346 7.723 -15.604 291 HB3 MET 41 HB1 MET 41 66.704 9.268 -15.048 292 HG2 MET 41 HG2 MET 41 68.521 9.433 -13.387 293 HG3 MET 41 HG1 MET 41 69.155 7.879 -13.923 294 HE1 MET 41 HE1 MET 41 68.100 11.305 -14.697 295 HE2 MET 41 HE2 MET 41 67.715 10.902 -16.367 296 HE3 MET 41 HE3 MET 41 69.117 11.908 -16.011 297 H GLY 42 HN GLY 42 64.376 8.976 -13.029 298 HA2 GLY 42 HA2 GLY 42 62.514 8.747 -14.895 299 HA3 GLY 42 HA1 GLY 42 62.485 7.102 -14.262 300 H CYS 43 HN CYS 43 60.415 9.207 -14.196 301 HA CYS 43 HA CYS 43 60.187 10.224 -11.543 302 HB2 CYS 43 HB2 CYS 43 58.934 11.389 -13.149 303 HB3 CYS 43 HB1 CYS 43 58.292 9.909 -13.857 304 H VAL 44 HN VAL 44 60.273 8.728 -9.927 305 HA VAL 44 HA VAL 44 58.049 6.798 -9.804 306 HB VAL 44 HB VAL 44 60.971 6.091 -9.412 307 HG11 VAL 44 HG11 VAL 44 58.421 4.606 -8.728 308 HG12 VAL 44 HG12 VAL 44 59.769 4.989 -7.657 309 HG13 VAL 44 HG13 VAL 44 59.969 3.786 -8.930 310 HG21 VAL 44 HG21 VAL 44 58.835 5.332 -11.414 311 HG22 VAL 44 HG22 VAL 44 60.204 4.272 -11.107 312 HG23 VAL 44 HG23 VAL 44 60.476 5.901 -11.719 313 H SER 45 HN SER 45 56.992 7.536 -8.078 314 HA SER 45 HA SER 45 58.292 8.814 -5.861 315 HB2 SER 45 HB2 SER 45 56.100 9.560 -6.343 316 HB3 SER 45 HB1 SER 45 55.462 7.918 -6.363 317 HG SER 45 HG SER 45 56.352 7.949 -4.065 318 H GLY 46 HN GLY 46 58.729 8.024 -3.830 319 HA2 GLY 46 HA2 GLY 46 57.790 5.658 -2.696 320 HA3 GLY 46 HA1 GLY 46 59.262 5.257 -3.573 321 H CYS 47 HN CYS 47 59.756 4.720 -1.267 322 HA CYS 47 HA CYS 47 60.744 7.036 0.303 323 HB2 CYS 47 HB2 CYS 47 60.397 5.799 2.195 324 HB3 CYS 47 HB1 CYS 47 59.285 4.925 1.169 325 H LEU 48 HN LEU 48 62.824 7.402 0.675 326 HA LEU 48 HA LEU 48 64.795 5.533 -0.551 327 HB2 LEU 48 HB2 LEU 48 66.132 7.439 -1.171 328 HB3 LEU 48 HB1 LEU 48 64.509 7.661 -1.785 329 HG LEU 48 HG LEU 48 64.090 8.966 0.446 330 HD11 LEU 48 HD11 LEU 48 65.970 8.814 1.785 331 HD12 LEU 48 HD12 LEU 48 66.441 10.230 0.864 332 HD13 LEU 48 HD13 LEU 48 67.066 8.654 0.419 333 HD21 LEU 48 HD21 LEU 48 64.818 11.046 -0.654 334 HD22 LEU 48 HD22 LEU 48 64.113 9.950 -1.831 335 HD23 LEU 48 HD23 LEU 48 65.859 10.122 -1.736 336 H CYS 49 HN CYS 49 67.140 6.462 0.370 337 HA CYS 49 HA CYS 49 66.869 6.198 3.312 338 HB2 CYS 49 HB2 CYS 49 68.088 4.412 1.946 339 HB3 CYS 49 HB1 CYS 49 69.359 5.616 1.730 340 HA PRO 50 HA PRO 50 68.359 10.414 3.259 341 HB2 PRO 50 HB2 PRO 50 69.063 10.692 5.932 342 HB3 PRO 50 HB1 PRO 50 67.407 10.828 5.315 343 HG2 PRO 50 HG2 PRO 50 68.767 8.513 6.613 344 HG3 PRO 50 HG1 PRO 50 67.108 9.104 6.815 345 HD2 PRO 50 HD2 PRO 50 67.696 6.940 5.287 346 HD3 PRO 50 HD1 PRO 50 66.346 8.030 4.898 347 HA PRO 51 HA PRO 51 72.787 10.481 2.925 348 HB2 PRO 51 HB2 PRO 51 73.051 12.776 4.814 349 HB3 PRO 51 HB1 PRO 51 73.516 12.666 3.106 350 HG2 PRO 51 HG2 PRO 51 71.398 14.090 3.883 351 HG3 PRO 51 HG1 PRO 51 71.395 13.179 2.360 352 HD2 PRO 51 HD2 PRO 51 70.092 12.485 4.974 353 HD3 PRO 51 HD1 PRO 51 69.486 12.274 3.320 354 H GLY 52 HN GLY 52 74.737 9.853 3.940 355 HA2 GLY 52 HA2 GLY 52 76.132 9.104 5.639 356 HA3 GLY 52 HA1 GLY 52 74.934 9.638 6.815 357 H MET 53 HN MET 53 72.873 8.101 5.195 358 HA MET 53 HA MET 53 73.473 5.409 6.297 359 HB2 MET 53 HB2 MET 53 70.775 6.652 5.785 360 HB3 MET 53 HB1 MET 53 71.112 5.132 6.600 361 HG2 MET 53 HG2 MET 53 72.007 7.858 7.575 362 HG3 MET 53 HG1 MET 53 70.659 6.941 8.237 363 HE1 MET 53 HE1 MET 53 71.434 4.019 8.579 364 HE2 MET 53 HE2 MET 53 70.712 5.129 9.735 365 HE3 MET 53 HE3 MET 53 72.091 4.142 10.213 366 H VAL 54 HN VAL 54 72.920 3.582 5.141 367 HA VAL 54 HA VAL 54 72.356 4.025 2.274 368 HB VAL 54 HB VAL 54 74.022 2.246 1.754 369 HG11 VAL 54 HG11 VAL 54 75.979 3.567 2.049 370 HG12 VAL 54 HG12 VAL 54 75.303 4.383 3.454 371 HG13 VAL 54 HG13 VAL 54 74.638 4.694 1.849 372 HG21 VAL 54 HG21 VAL 54 73.876 1.041 3.922 373 HG22 VAL 54 HG22 VAL 54 74.703 2.390 4.702 374 HG23 VAL 54 HG23 VAL 54 75.540 1.423 3.487 375 H ARG 55 HN ARG 55 71.052 2.541 1.280 376 HA ARG 55 HA ARG 55 69.350 1.025 2.981 377 HB2 ARG 55 HB2 ARG 55 68.531 2.137 0.945 378 HB3 ARG 55 HB1 ARG 55 69.492 1.032 -0.021 379 HG2 ARG 55 HG2 ARG 55 68.250 -0.883 0.902 380 HG3 ARG 55 HG1 ARG 55 67.285 0.223 1.880 381 HD2 ARG 55 HD2 ARG 55 66.578 1.367 -0.242 382 HD3 ARG 55 HD1 ARG 55 67.410 0.102 -1.142 383 HE ARG 55 HE ARG 55 65.511 -0.924 0.775 384 HH11 ARG 55 HH21 ARG 55 65.994 0.360 -2.400 385 HH12 ARG 55 HH22 ARG 55 64.609 -0.427 -3.078 386 HH21 ARG 55 HH11 ARG 55 63.692 -1.955 -0.103 387 HH22 ARG 55 HH12 ARG 55 63.303 -1.739 -1.776 388 H HIS 56 HN HIS 56 69.725 -0.965 3.772 389 HA HIS 56 HA HIS 56 71.203 -2.884 2.098 390 HB2 HIS 56 HB2 HIS 56 72.862 -2.222 3.654 391 HB3 HIS 56 HB1 HIS 56 71.696 -2.081 4.969 392 HD2 HIS 56 HD2 HIS 56 72.549 -4.129 6.652 393 HE1 HIS 56 HE1 HIS 56 72.603 -7.195 3.774 394 HE2 HIS 56 HE2 HIS 56 72.817 -6.691 6.245 395 H GLU 57 HN GLU 57 69.971 -4.603 1.754 396 HA GLU 57 HA GLU 57 68.279 -6.162 2.004 397 HB2 GLU 57 HB2 GLU 57 69.964 -6.659 3.919 398 HB3 GLU 57 HB1 GLU 57 68.751 -5.943 4.976 399 HG2 GLU 57 HG2 GLU 57 68.325 -8.299 4.956 400 HG3 GLU 57 HG1 GLU 57 67.077 -7.565 3.952 401 H ASN 58 HN ASN 58 67.452 -3.420 1.915 402 HA ASN 58 HA ASN 58 65.443 -2.303 2.037 403 HB2 ASN 58 HB2 ASN 58 64.349 -4.390 3.911 404 HB3 ASN 58 HB1 ASN 58 63.493 -3.382 2.752 405 HD21 ASN 58 HD21 ASN 58 64.645 -6.505 3.193 406 HD22 ASN 58 HD22 ASN 58 64.741 -6.980 1.566 407 H ARG 59 HN ARG 59 67.654 -2.541 4.323 408 HA ARG 59 HA ARG 59 66.174 -0.852 6.271 409 HB2 ARG 59 HB2 ARG 59 67.128 -1.990 8.042 410 HB3 ARG 59 HB1 ARG 59 67.088 -3.296 6.867 411 HG2 ARG 59 HG2 ARG 59 69.537 -2.250 6.276 412 HG3 ARG 59 HG1 ARG 59 69.425 -1.786 7.963 413 HD2 ARG 59 HD2 ARG 59 69.099 -4.591 6.862 414 HD3 ARG 59 HD1 ARG 59 70.504 -3.975 7.727 415 HE ARG 59 HE ARG 59 67.939 -4.707 8.894 416 HH11 ARG 59 HH21 ARG 59 70.928 -3.000 9.191 417 HH12 ARG 59 HH22 ARG 59 70.895 -2.956 10.922 418 HH21 ARG 59 HH11 ARG 59 67.876 -4.645 11.168 419 HH22 ARG 59 HH12 ARG 59 69.165 -3.888 12.042 420 H CYS 60 HN CYS 60 67.380 0.906 7.228 421 HA CYS 60 HA CYS 60 69.641 1.795 5.524 422 HB2 CYS 60 HB2 CYS 60 67.625 3.298 7.170 423 HB3 CYS 60 HB1 CYS 60 69.161 4.036 6.743 424 H VAL 61 HN VAL 61 71.575 1.731 6.286 425 HA VAL 61 HA VAL 61 72.042 1.861 9.218 426 HB VAL 61 HB VAL 61 73.643 0.110 9.137 427 HG11 VAL 61 HG11 VAL 61 71.120 -0.475 8.987 428 HG12 VAL 61 HG12 VAL 61 72.272 -1.759 8.622 429 HG13 VAL 61 HG13 VAL 61 71.459 -0.909 7.309 430 HG21 VAL 61 HG21 VAL 61 74.051 -1.066 6.878 431 HG22 VAL 61 HG22 VAL 61 74.807 0.511 7.100 432 HG23 VAL 61 HG23 VAL 61 73.336 0.368 6.138 433 H ALA 62 HN ALA 62 74.176 2.548 9.799 434 HA ALA 62 HA ALA 62 75.074 4.769 8.204 435 HB1 ALA 62 HB1 ALA 62 76.601 5.184 9.945 436 HB2 ALA 62 HB2 ALA 62 76.567 3.504 10.484 437 HB3 ALA 62 HB3 ALA 62 75.168 4.544 10.748 438 H LEU 63 HN LEU 63 76.893 5.017 7.013 439 HA LEU 63 HA LEU 63 77.634 2.945 5.384 440 HB2 LEU 63 HB2 LEU 63 78.104 5.374 4.967 441 HB3 LEU 63 HB1 LEU 63 79.440 5.260 6.109 442 HG LEU 63 HG LEU 63 80.454 3.463 4.692 443 HD11 LEU 63 HD11 LEU 63 78.650 2.513 3.475 444 HD12 LEU 63 HD12 LEU 63 79.502 3.451 2.265 445 HD13 LEU 63 HD13 LEU 63 78.032 4.089 3.000 446 HD21 LEU 63 HD21 LEU 63 81.088 5.853 4.448 447 HD22 LEU 63 HD22 LEU 63 79.844 6.039 3.211 448 HD23 LEU 63 HD23 LEU 63 81.221 4.975 2.926 449 H GLU 64 HN GLU 64 79.563 4.184 8.161 450 HA GLU 64 HA GLU 64 81.627 2.361 8.042 451 HB2 GLU 64 HB2 GLU 64 82.004 2.889 10.364 452 HB3 GLU 64 HB1 GLU 64 81.428 4.353 9.568 453 HG2 GLU 64 HG2 GLU 64 79.084 3.729 10.343 454 HG3 GLU 64 HG1 GLU 64 79.827 2.466 11.327 455 H ARG 65 HN ARG 65 78.327 1.858 8.837 456 HA ARG 65 HA ARG 65 78.872 -0.710 10.169 457 HB2 ARG 65 HB2 ARG 65 77.203 1.021 11.056 458 HB3 ARG 65 HB1 ARG 65 76.187 0.584 9.682 459 HG2 ARG 65 HG2 ARG 65 76.118 -1.737 10.411 460 HG3 ARG 65 HG1 ARG 65 77.252 -1.392 11.719 461 HD2 ARG 65 HD2 ARG 65 75.634 0.243 12.625 462 HD3 ARG 65 HD1 ARG 65 74.493 -0.234 11.369 463 HE ARG 65 HE ARG 65 75.347 -2.557 12.729 464 HH11 ARG 65 HH21 ARG 65 73.481 0.317 13.262 465 HH12 ARG 65 HH22 ARG 65 72.468 -0.409 14.465 466 HH21 ARG 65 HH11 ARG 65 74.028 -3.499 14.297 467 HH22 ARG 65 HH12 ARG 65 72.778 -2.567 15.050 468 H CYS 66 HN CYS 66 78.425 0.460 7.098 469 HA CYS 66 HA CYS 66 76.606 -1.180 5.896 470 HB2 CYS 66 HB2 CYS 66 77.552 0.504 4.566 471 HB3 CYS 66 HB1 CYS 66 79.193 -0.049 4.885 472 HA PRO 67 HA PRO 67 78.316 -5.301 6.655 473 HB2 PRO 67 HB2 PRO 67 76.855 -5.999 4.143 474 HB3 PRO 67 HB1 PRO 67 76.779 -6.761 5.743 475 HG2 PRO 67 HG2 PRO 67 74.831 -5.161 4.774 476 HG3 PRO 67 HG1 PRO 67 75.192 -5.305 6.503 477 HD2 PRO 67 HD2 PRO 67 75.744 -3.040 4.659 478 HD3 PRO 67 HD1 PRO 67 75.564 -3.053 6.429 479 H CYS 68 HN CYS 68 79.816 -6.713 5.712 480 HA CYS 68 HA CYS 68 81.379 -5.519 3.493 481 HB2 CYS 68 HB2 CYS 68 82.485 -7.851 4.933 482 HB3 CYS 68 HB1 CYS 68 83.236 -6.303 4.565 483 H PHE 69 HN PHE 69 82.422 -7.085 1.979 484 HA PHE 69 HA PHE 69 80.764 -9.474 1.442 485 HB2 PHE 69 HB2 PHE 69 81.565 -7.387 -0.619 486 HB3 PHE 69 HB1 PHE 69 80.690 -8.881 -0.945 487 HD1 PHE 69 HD1 PHE 69 80.488 -5.758 1.128 488 HD2 PHE 69 HD2 PHE 69 78.338 -8.880 -0.893 489 HE1 PHE 69 HE1 PHE 69 78.346 -4.586 1.589 490 HE2 PHE 69 HE2 PHE 69 76.196 -7.708 -0.427 491 HZ PHE 69 HZ PHE 69 76.202 -5.545 0.787 492 H HIS 70 HN HIS 70 82.025 -11.171 1.248 493 HA HIS 70 HA HIS 70 84.569 -10.961 -0.171 494 HB2 HIS 70 HB2 HIS 70 84.719 -10.691 2.493 495 HB3 HIS 70 HB1 HIS 70 84.667 -12.451 2.432 496 HD2 HIS 70 HD2 HIS 70 87.352 -9.922 2.469 497 HE1 HIS 70 HE1 HIS 70 88.823 -12.887 -0.147 498 HE2 HIS 70 HE2 HIS 70 89.448 -10.830 1.205 499 H GLN 71 HN GLN 71 84.951 -12.741 -1.397 500 HA GLN 71 HA GLN 71 84.559 -14.769 -2.409 501 HB2 GLN 71 HB2 GLN 71 84.128 -15.476 0.496 502 HB3 GLN 71 HB1 GLN 71 84.155 -16.677 -0.790 503 HG2 GLN 71 HG2 GLN 71 86.405 -14.725 -0.241 504 HG3 GLN 71 HG1 GLN 71 86.367 -16.380 0.355 505 HE21 GLN 71 HE21 GLN 71 87.810 -14.652 -2.000 506 HE22 GLN 71 HE22 GLN 71 87.870 -15.808 -3.241 507 H GLY 72 HN GLY 72 82.262 -12.954 -2.325 508 HA2 GLY 72 HA2 GLY 72 80.117 -13.121 -3.123 509 HA3 GLY 72 HA1 GLY 72 80.255 -14.871 -3.027 510 H LYS 73 HN LYS 73 81.167 -13.953 -0.067 511 HA LYS 73 HA LYS 73 78.424 -14.215 1.023 512 HB2 LYS 73 HB2 LYS 73 81.145 -14.876 2.142 513 HB3 LYS 73 HB1 LYS 73 79.693 -14.830 3.142 514 HG2 LYS 73 HG2 LYS 73 78.632 -16.492 1.629 515 HG3 LYS 73 HG1 LYS 73 80.132 -16.574 0.702 516 HD2 LYS 73 HD2 LYS 73 81.340 -17.312 2.727 517 HD3 LYS 73 HD1 LYS 73 79.835 -17.249 3.644 518 HE2 LYS 73 HE2 LYS 73 80.226 -18.946 1.169 519 HE3 LYS 73 HE1 LYS 73 80.419 -19.549 2.816 520 HZ1 LYS 73 HZ1 LYS 73 78.062 -18.443 3.064 521 HZ2 LYS 73 HZ2 LYS 73 78.241 -20.031 2.486 522 HZ3 LYS 73 HZ3 LYS 73 77.993 -18.751 1.397 523 H GLU 74 HN GLU 74 77.848 -13.000 2.896 524 HA GLU 74 HA GLU 74 79.105 -10.337 2.918 525 HB2 GLU 74 HB2 GLU 74 76.336 -11.269 3.681 526 HB3 GLU 74 HB1 GLU 74 76.924 -9.626 3.947 527 HG2 GLU 74 HG2 GLU 74 77.325 -9.348 1.559 528 HG3 GLU 74 HG1 GLU 74 76.844 -11.014 1.253 529 H TYR 75 HN TYR 75 80.084 -9.594 4.690 530 HA TYR 75 HA TYR 75 79.734 -11.071 7.245 531 HB2 TYR 75 HB2 TYR 75 82.235 -9.607 6.407 532 HB3 TYR 75 HB1 TYR 75 82.030 -10.731 7.743 533 HD1 TYR 75 HD1 TYR 75 81.740 -10.530 4.023 534 HD2 TYR 75 HD2 TYR 75 82.537 -13.004 7.439 535 HE1 TYR 75 HE1 TYR 75 82.357 -12.386 2.540 536 HE2 TYR 75 HE2 TYR 75 83.162 -14.866 5.935 537 HH TYR 75 HH TYR 75 83.083 -15.611 3.800 538 H ALA 76 HN ALA 76 80.663 -9.580 9.086 539 HA ALA 76 HA ALA 76 79.402 -6.925 8.758 540 HB1 ALA 76 HB1 ALA 76 78.549 -8.898 10.382 541 HB2 ALA 76 HB2 ALA 76 78.350 -7.194 10.776 542 HB3 ALA 76 HB3 ALA 76 79.685 -8.112 11.475 543 HA PRO 77 HA PRO 77 83.029 -4.844 10.175 544 HB2 PRO 77 HB2 PRO 77 81.717 -3.703 12.593 545 HB3 PRO 77 HB1 PRO 77 82.374 -2.867 11.174 546 HG2 PRO 77 HG2 PRO 77 79.737 -3.051 11.602 547 HG3 PRO 77 HG1 PRO 77 80.421 -3.109 9.964 548 HD2 PRO 77 HD2 PRO 77 79.450 -5.378 11.684 549 HD3 PRO 77 HD1 PRO 77 79.216 -5.099 9.945 550 H GLY 78 HN GLY 78 84.847 -5.462 11.269 551 HA2 GLY 78 HA2 GLY 78 86.190 -6.216 13.029 552 HA3 GLY 78 HA1 GLY 78 84.746 -6.429 14.012 553 H GLU 79 HN GLU 79 84.009 -7.911 11.182 554 HA GLU 79 HA GLU 79 84.444 -10.549 12.304 555 HB2 GLU 79 HB2 GLU 79 82.529 -9.550 10.626 556 HB3 GLU 79 HB1 GLU 79 83.586 -10.326 9.451 557 HG2 GLU 79 HG2 GLU 79 83.469 -12.413 10.786 558 HG3 GLU 79 HG1 GLU 79 82.352 -11.620 11.893 559 H THR 80 HN THR 80 85.990 -12.013 11.738 560 HA THR 80 HA THR 80 88.135 -11.042 9.941 561 HB THR 80 HB THR 80 89.622 -11.977 11.382 562 HG1 THR 80 HG1 THR 80 89.441 -14.065 11.144 563 HG21 THR 80 HG21 THR 80 87.228 -12.312 13.196 564 HG22 THR 80 HG22 THR 80 88.005 -10.764 12.880 565 HG23 THR 80 HG23 THR 80 88.902 -12.050 13.683 566 H VAL 81 HN VAL 81 89.118 -12.392 8.481 567 HA VAL 81 HA VAL 81 87.877 -14.985 7.958 568 HB VAL 81 HB VAL 81 87.533 -14.490 5.572 569 HG11 VAL 81 HG11 VAL 81 85.529 -13.204 5.839 570 HG12 VAL 81 HG12 VAL 81 86.158 -12.425 7.292 571 HG13 VAL 81 HG13 VAL 81 85.745 -14.139 7.319 572 HG21 VAL 81 HG21 VAL 81 88.249 -11.655 6.390 573 HG22 VAL 81 HG22 VAL 81 87.611 -12.127 4.815 574 HG23 VAL 81 HG23 VAL 81 89.201 -12.692 5.327 575 H LYS 82 HN LYS 82 89.175 -16.377 6.692 576 HA LYS 82 HA LYS 82 91.979 -15.550 6.676 577 HB2 LYS 82 HB2 LYS 82 90.499 -18.028 7.270 578 HB3 LYS 82 HB1 LYS 82 91.907 -18.297 6.250 579 HG2 LYS 82 HG2 LYS 82 92.110 -16.615 8.748 580 HG3 LYS 82 HG1 LYS 82 92.222 -18.371 8.830 581 HD2 LYS 82 HD2 LYS 82 94.059 -18.298 7.150 582 HD3 LYS 82 HD1 LYS 82 93.986 -16.539 7.185 583 HE2 LYS 82 HE2 LYS 82 95.762 -17.301 8.674 584 HE3 LYS 82 HE1 LYS 82 94.457 -16.596 9.627 585 HZ1 LYS 82 HZ1 LYS 82 93.610 -18.800 10.069 586 HZ2 LYS 82 HZ2 LYS 82 95.235 -18.701 10.551 587 HZ3 LYS 82 HZ3 LYS 82 94.822 -19.497 9.108 588 H ILE 83 HN ILE 83 93.105 -15.480 4.889 589 HA ILE 83 HA ILE 83 91.928 -16.554 2.379 590 HB ILE 83 HB ILE 83 93.243 -13.833 2.594 591 HG12 ILE 83 HG12 ILE 83 90.300 -14.529 2.293 592 HG13 ILE 83 HG11 ILE 83 91.038 -13.959 3.788 593 HG21 ILE 83 HG21 ILE 83 92.430 -13.564 0.314 594 HG22 ILE 83 HG22 ILE 83 91.611 -15.124 0.385 595 HG23 ILE 83 HG23 ILE 83 93.372 -15.052 0.400 596 HD11 ILE 83 HD11 ILE 83 90.143 -12.005 2.802 597 HD12 ILE 83 HD12 ILE 83 90.693 -12.464 1.191 598 HD13 ILE 83 HD13 ILE 83 91.861 -11.943 2.406 599 H GLY 84 HN GLY 84 93.446 -18.296 2.623 600 HA2 GLY 84 HA2 GLY 84 95.475 -19.359 2.320 601 HA3 GLY 84 HA1 GLY 84 95.754 -18.104 1.115 602 H CYS 85 HN CYS 85 96.190 -18.992 4.487 603 HA CYS 85 HA CYS 85 97.718 -18.392 6.068 604 HB2 CYS 85 HB2 CYS 85 99.169 -17.635 3.556 605 HB3 CYS 85 HB1 CYS 85 99.852 -17.213 5.123 606 H ASN 86 HN ASN 86 96.784 -15.882 3.842 607 HA ASN 86 HA ASN 86 97.372 -13.764 5.763 608 HB2 ASN 86 HB2 ASN 86 97.882 -13.216 3.488 609 HB3 ASN 86 HB1 ASN 86 96.303 -13.767 2.934 610 HD21 ASN 86 HD21 ASN 86 96.727 -11.864 5.897 611 HD22 ASN 86 HD22 ASN 86 95.957 -10.470 5.311 612 H THR 87 HN THR 87 95.858 -12.740 6.964 613 HA THR 87 HA THR 87 93.011 -13.564 6.636 614 HB THR 87 HB THR 87 94.474 -14.297 8.695 615 HG1 THR 87 HG1 THR 87 91.816 -13.436 8.576 616 HG21 THR 87 HG21 THR 87 93.289 -11.748 9.751 617 HG22 THR 87 HG22 THR 87 94.966 -11.842 9.211 618 HG23 THR 87 HG23 THR 87 94.416 -12.842 10.554 619 H CYS 88 HN CYS 88 91.417 -12.105 7.116 620 HA CYS 88 HA CYS 88 92.284 -9.285 7.366 621 HB2 CYS 88 HB2 CYS 88 90.245 -10.078 5.291 622 HB3 CYS 88 HB1 CYS 88 91.157 -8.575 5.423 623 H VAL 89 HN VAL 89 90.750 -7.800 7.970 624 HA VAL 89 HA VAL 89 88.301 -8.931 9.135 625 HB VAL 89 HB VAL 89 90.296 -8.469 10.764 626 HG11 VAL 89 HG11 VAL 89 90.642 -6.273 11.477 627 HG12 VAL 89 HG12 VAL 89 89.121 -5.699 10.791 628 HG13 VAL 89 HG13 VAL 89 90.470 -6.084 9.735 629 HG21 VAL 89 HG21 VAL 89 88.758 -7.932 12.537 630 HG22 VAL 89 HG22 VAL 89 87.933 -8.999 11.402 631 HG23 VAL 89 HG23 VAL 89 87.593 -7.272 11.389 632 H CYS 90 HN CYS 90 86.507 -7.729 8.985 633 HA CYS 90 HA CYS 90 86.429 -5.616 7.067 634 HB2 CYS 90 HB2 CYS 90 84.608 -7.311 7.521 635 HB3 CYS 90 HB1 CYS 90 84.283 -6.441 9.018 636 H ARG 91 HN ARG 91 87.239 -3.693 7.556 637 HA ARG 91 HA ARG 91 86.313 -2.337 10.002 638 HB2 ARG 91 HB2 ARG 91 88.697 -3.336 10.209 639 HB3 ARG 91 HB1 ARG 91 89.170 -2.069 9.079 640 HG2 ARG 91 HG2 ARG 91 88.525 -0.328 10.575 641 HG3 ARG 91 HG1 ARG 91 87.617 -1.429 11.607 642 HD2 ARG 91 HD2 ARG 91 90.615 -1.597 11.219 643 HD3 ARG 91 HD1 ARG 91 89.847 -0.729 12.544 644 HE ARG 91 HE ARG 91 88.762 -3.254 12.647 645 HH11 ARG 91 HH21 ARG 91 91.941 -1.883 12.659 646 HH12 ARG 91 HH22 ARG 91 92.624 -3.129 13.650 647 HH21 ARG 91 HH11 ARG 91 89.651 -4.888 13.948 648 HH22 ARG 91 HH12 ARG 91 91.327 -4.830 14.380 649 H ASP 92 HN ASP 92 85.392 -0.470 9.426 650 HA ASP 92 HA ASP 92 84.868 1.423 8.253 651 HB2 ASP 92 HB2 ASP 92 87.738 1.121 7.354 652 HB3 ASP 92 HB1 ASP 92 86.719 2.474 6.899 653 H ARG 93 HN ARG 93 83.793 -0.786 7.283 654 HA ARG 93 HA ARG 93 82.911 -1.801 5.415 655 HB2 ARG 93 HB2 ARG 93 82.289 0.720 5.216 656 HB3 ARG 93 HB1 ARG 93 83.507 0.763 3.944 657 HG2 ARG 93 HG2 ARG 93 82.312 -1.077 2.765 658 HG3 ARG 93 HG1 ARG 93 81.088 -1.069 4.029 659 HD2 ARG 93 HD2 ARG 93 80.553 1.263 3.502 660 HD3 ARG 93 HD1 ARG 93 81.779 1.276 2.244 661 HE ARG 93 HE ARG 93 79.147 0.120 2.055 662 HH11 ARG 93 HH21 ARG 93 82.434 -0.039 0.986 663 HH12 ARG 93 HH22 ARG 93 82.053 -0.806 -0.519 664 HH21 ARG 93 HH11 ARG 93 78.640 -0.894 0.083 665 HH22 ARG 93 HH12 ARG 93 79.906 -1.291 -1.029 666 H LYS 94 HN LYS 94 85.980 -1.654 5.831 667 HA LYS 94 HA LYS 94 86.655 -2.674 3.127 668 HB2 LYS 94 HB2 LYS 94 87.515 -0.361 3.318 669 HB3 LYS 94 HB1 LYS 94 88.398 -0.821 4.775 670 HG2 LYS 94 HG2 LYS 94 89.701 -2.460 3.508 671 HG3 LYS 94 HG1 LYS 94 88.772 -2.108 2.052 672 HD2 LYS 94 HD2 LYS 94 89.587 0.224 2.106 673 HD3 LYS 94 HD1 LYS 94 90.525 -0.140 3.555 674 HE2 LYS 94 HE2 LYS 94 91.963 -0.268 1.570 675 HE3 LYS 94 HE1 LYS 94 91.778 -1.869 2.285 676 HZ1 LYS 94 HZ1 LYS 94 89.681 -1.592 0.525 677 HZ2 LYS 94 HZ2 LYS 94 91.070 -2.547 0.313 678 HZ3 LYS 94 HZ3 LYS 94 91.024 -0.962 -0.297 679 H TRP 95 HN TRP 95 88.360 -4.208 3.106 680 HA TRP 95 HA TRP 95 88.542 -5.734 5.592 681 HB2 TRP 95 HB2 TRP 95 89.267 -6.295 2.716 682 HB3 TRP 95 HB1 TRP 95 89.730 -7.374 4.029 683 HD1 TRP 95 HD1 TRP 95 86.847 -6.439 1.843 684 HE1 TRP 95 HE1 TRP 95 84.769 -7.831 2.495 685 HE3 TRP 95 HE3 TRP 95 88.487 -8.464 6.245 686 HZ2 TRP 95 HZ2 TRP 95 83.941 -9.575 4.595 687 HZ3 TRP 95 HZ3 TRP 95 87.033 -10.000 7.534 688 HH2 TRP 95 HH2 TRP 95 84.758 -10.542 6.723 689 H ASN 96 HN ASN 96 90.296 -5.802 6.851 690 HA ASN 96 HA ASN 96 92.757 -4.426 5.924 691 HB2 ASN 96 HB2 ASN 96 91.370 -3.861 8.140 692 HB3 ASN 96 HB1 ASN 96 92.324 -5.188 8.792 693 HD21 ASN 96 HD21 ASN 96 92.531 -1.936 7.412 694 HD22 ASN 96 HD22 ASN 96 94.137 -1.654 7.883 695 H CYS 97 HN CYS 97 93.744 -6.095 4.822 696 HA CYS 97 HA CYS 97 93.984 -8.721 5.991 697 HB2 CYS 97 HB2 CYS 97 95.145 -7.492 3.497 698 HB3 CYS 97 HB1 CYS 97 95.401 -9.168 3.980 699 H THR 98 HN THR 98 95.520 -9.577 7.107 700 HA THR 98 HA THR 98 97.471 -8.012 8.370 701 HB THR 98 HB THR 98 97.190 -10.990 8.111 702 HG1 THR 98 HG1 THR 98 96.247 -9.029 9.886 703 HG21 THR 98 HG21 THR 98 99.422 -10.446 8.699 704 HG22 THR 98 HG22 THR 98 98.612 -11.009 10.151 705 HG23 THR 98 HG23 THR 98 98.901 -9.284 9.907 706 H ASP 99 HN ASP 99 97.766 -10.489 5.960 707 HA ASP 99 HA ASP 99 99.349 -10.945 4.380 708 HB2 ASP 99 HB2 ASP 99 99.825 -7.976 4.705 709 HB3 ASP 99 HB1 ASP 99 100.609 -8.959 3.474 710 H HIS 100 HN HIS 100 99.984 -11.292 7.198 711 HA HIS 100 HA HIS 100 102.891 -10.779 7.291 712 HB2 HIS 100 HB2 HIS 100 102.788 -11.447 9.609 713 HB3 HIS 100 HB1 HIS 100 101.501 -10.293 9.318 714 HD2 HIS 100 HD2 HIS 100 99.669 -12.981 7.847 715 HE1 HIS 100 HE1 HIS 100 99.441 -14.044 11.923 716 HE2 HIS 100 HE2 HIS 100 98.450 -14.450 9.624 717 H VAL 101 HN VAL 101 104.203 -12.645 8.214 718 HA VAL 101 HA VAL 101 104.225 -14.797 6.424 719 HB VAL 101 HB VAL 101 106.196 -14.138 7.714 720 HG11 VAL 101 HG11 VAL 101 104.843 -15.364 10.127 721 HG12 VAL 101 HG12 VAL 101 104.818 -13.629 9.806 722 HG13 VAL 101 HG13 VAL 101 106.353 -14.454 10.080 723 HG21 VAL 101 HG21 VAL 101 107.006 -16.339 8.201 724 HG22 VAL 101 HG22 VAL 101 105.833 -16.532 6.898 725 HG23 VAL 101 HG23 VAL 101 105.382 -16.930 8.556 726 H CYS 102 HN CYS 102 103.521 -16.903 6.545 727 HA CYS 102 HA CYS 102 101.108 -17.396 7.931 728 HB2 CYS 102 HB2 CYS 102 102.190 -18.482 5.757 729 HB3 CYS 102 HB1 CYS 102 102.739 -19.686 6.918 730 H ASP 103 HN ASP 103 101.339 -17.195 10.089 731 HA ASP 103 HA ASP 103 103.407 -18.294 11.664 732 HB2 ASP 103 HB2 ASP 103 101.777 -16.502 12.369 733 HB3 ASP 103 HB1 ASP 103 100.571 -17.772 12.564 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 53.615 1.320 -7.726 2 H2 GLY 1 HT2 GLY 1 52.726 1.955 -9.027 3 H3 GLY 1 HT3 GLY 1 52.855 2.829 -7.577 4 HA2 GLY 1 HA2 GLY 1 55.328 2.114 -8.968 5 HA3 GLY 1 HA1 GLY 1 54.340 3.411 -9.639 6 H ALA 2 HN ALA 2 53.286 4.049 -6.912 7 HA ALA 2 HA ALA 2 55.117 6.092 -6.236 8 HB1 ALA 2 HB1 ALA 2 52.824 4.891 -4.666 9 HB2 ALA 2 HB2 ALA 2 52.771 6.325 -5.692 10 HB3 ALA 2 HB3 ALA 2 53.697 6.348 -4.193 11 H MET 3 HN MET 3 54.547 2.864 -4.908 12 HA MET 3 HA MET 3 56.260 3.114 -2.662 13 HB2 MET 3 HB2 MET 3 55.428 0.655 -4.224 14 HB3 MET 3 HB1 MET 3 56.211 0.632 -2.645 15 HG2 MET 3 HG2 MET 3 53.560 1.975 -3.242 16 HG3 MET 3 HG1 MET 3 53.734 0.399 -2.478 17 HE1 MET 3 HE1 MET 3 56.345 0.994 -0.254 18 HE2 MET 3 HE2 MET 3 55.022 -0.112 -0.612 19 HE3 MET 3 HE3 MET 3 55.000 0.824 0.879 20 H GLY 4 HN GLY 4 56.794 1.945 -5.967 21 HA2 GLY 4 HA2 GLY 4 58.736 1.769 -7.197 22 HA3 GLY 4 HA1 GLY 4 59.543 2.700 -5.941 23 H SER 5 HN SER 5 61.254 1.051 -6.654 24 HA SER 5 HA SER 5 61.073 -1.667 -5.950 25 HB2 SER 5 HB2 SER 5 62.877 -1.051 -7.352 26 HB3 SER 5 HB1 SER 5 63.401 0.225 -6.256 27 HG SER 5 HG SER 5 64.154 -1.289 -4.856 28 H CYS 6 HN CYS 6 62.172 1.162 -4.121 29 HA CYS 6 HA CYS 6 63.024 -0.230 -1.816 30 HB2 CYS 6 HB2 CYS 6 62.962 1.914 -0.709 31 HB3 CYS 6 HB1 CYS 6 63.573 2.152 -2.347 32 H ARG 7 HN ARG 7 61.878 -1.301 -0.353 33 HA ARG 7 HA ARG 7 58.974 -1.121 -0.333 34 HB2 ARG 7 HB2 ARG 7 61.037 -2.979 0.696 35 HB3 ARG 7 HB1 ARG 7 59.641 -2.802 1.760 36 HG2 ARG 7 HG2 ARG 7 58.143 -3.569 0.105 37 HG3 ARG 7 HG1 ARG 7 59.312 -3.324 -1.195 38 HD2 ARG 7 HD2 ARG 7 58.907 -5.754 -0.256 39 HD3 ARG 7 HD1 ARG 7 60.547 -5.223 -0.627 40 HE ARG 7 HE ARG 7 59.670 -4.736 2.111 41 HH11 ARG 7 HH21 ARG 7 61.267 -6.802 -0.155 42 HH12 ARG 7 HH22 ARG 7 62.175 -7.656 1.048 43 HH21 ARG 7 HH11 ARG 7 60.861 -5.853 3.701 44 HH22 ARG 7 HH12 ARG 7 61.945 -7.120 3.230 45 HA PRO 8 HA PRO 8 59.731 0.300 4.217 46 HB2 PRO 8 HB2 PRO 8 62.335 1.020 4.851 47 HB3 PRO 8 HB1 PRO 8 61.631 -0.566 5.182 48 HG2 PRO 8 HG2 PRO 8 63.364 0.287 2.902 49 HG3 PRO 8 HG1 PRO 8 63.424 -1.197 3.871 50 HD2 PRO 8 HD2 PRO 8 62.316 -1.194 1.433 51 HD3 PRO 8 HD1 PRO 8 61.623 -2.160 2.753 52 HA PRO 9 HA PRO 9 60.004 4.379 2.163 53 HB2 PRO 9 HB2 PRO 9 57.687 5.453 3.057 54 HB3 PRO 9 HB1 PRO 9 57.722 4.218 1.784 55 HG2 PRO 9 HG2 PRO 9 56.996 3.952 4.655 56 HG3 PRO 9 HG1 PRO 9 56.362 3.089 3.245 57 HD2 PRO 9 HD2 PRO 9 58.319 2.122 5.053 58 HD3 PRO 9 HD1 PRO 9 57.896 1.413 3.484 59 H MET 10 HN MET 10 61.565 5.705 3.069 60 HA MET 10 HA MET 10 61.054 6.750 5.791 61 HB2 MET 10 HB2 MET 10 63.643 6.053 4.389 62 HB3 MET 10 HB1 MET 10 63.573 7.051 5.843 63 HG2 MET 10 HG2 MET 10 63.964 4.756 6.522 64 HG3 MET 10 HG1 MET 10 62.320 5.193 6.980 65 HE1 MET 10 HE1 MET 10 64.440 2.502 5.284 66 HE2 MET 10 HE2 MET 10 64.535 3.901 4.219 67 HE3 MET 10 HE3 MET 10 63.767 2.430 3.652 68 H VAL 11 HN VAL 11 62.881 7.512 2.773 69 HA VAL 11 HA VAL 11 61.984 10.334 3.085 70 HB VAL 11 HB VAL 11 64.541 9.552 1.692 71 HG11 VAL 11 HG11 VAL 11 65.142 11.830 2.122 72 HG12 VAL 11 HG12 VAL 11 63.824 12.030 3.277 73 HG13 VAL 11 HG13 VAL 11 63.470 11.869 1.557 74 HG21 VAL 11 HG21 VAL 11 64.703 8.539 3.902 75 HG22 VAL 11 HG22 VAL 11 64.126 10.022 4.654 76 HG23 VAL 11 HG23 VAL 11 65.698 9.991 3.858 77 H LYS 12 HN LYS 12 60.745 10.969 1.485 78 HA LYS 12 HA LYS 12 60.528 9.373 -0.966 79 HB2 LYS 12 HB2 LYS 12 58.500 10.153 0.303 80 HB3 LYS 12 HB1 LYS 12 58.920 11.804 -0.153 81 HG2 LYS 12 HG2 LYS 12 58.744 11.250 -2.514 82 HG3 LYS 12 HG1 LYS 12 58.470 9.551 -2.129 83 HD2 LYS 12 HD2 LYS 12 56.400 10.177 -0.910 84 HD3 LYS 12 HD1 LYS 12 56.663 11.861 -1.359 85 HE2 LYS 12 HE2 LYS 12 56.403 9.615 -3.373 86 HE3 LYS 12 HE1 LYS 12 55.054 10.630 -2.865 87 HZ1 LYS 12 HZ1 LYS 12 56.310 12.572 -3.602 88 HZ2 LYS 12 HZ2 LYS 12 56.049 11.480 -4.878 89 HZ3 LYS 12 HZ3 LYS 12 57.570 11.567 -4.127 90 H LEU 13 HN LEU 13 61.500 9.881 -2.777 91 HA LEU 13 HA LEU 13 62.379 12.679 -3.252 92 HB2 LEU 13 HB2 LEU 13 64.400 11.864 -4.259 93 HB3 LEU 13 HB1 LEU 13 64.249 11.077 -2.693 94 HG LEU 13 HG LEU 13 62.954 9.249 -4.244 95 HD11 LEU 13 HD11 LEU 13 65.234 9.938 -6.078 96 HD12 LEU 13 HD12 LEU 13 63.722 10.822 -6.265 97 HD13 LEU 13 HD13 LEU 13 63.738 9.069 -6.421 98 HD21 LEU 13 HD21 LEU 13 65.057 7.972 -4.247 99 HD22 LEU 13 HD22 LEU 13 64.778 8.770 -2.699 100 HD23 LEU 13 HD23 LEU 13 65.942 9.443 -3.841 101 H VAL 14 HN VAL 14 61.426 13.555 -4.971 102 HA VAL 14 HA VAL 14 60.357 11.734 -7.017 103 HB VAL 14 HB VAL 14 58.755 13.568 -7.529 104 HG11 VAL 14 HG11 VAL 14 57.568 13.501 -5.263 105 HG12 VAL 14 HG12 VAL 14 58.951 12.574 -4.685 106 HG13 VAL 14 HG13 VAL 14 57.946 11.936 -5.987 107 HG21 VAL 14 HG21 VAL 14 60.261 14.895 -5.261 108 HG22 VAL 14 HG22 VAL 14 58.677 15.444 -5.799 109 HG23 VAL 14 HG23 VAL 14 60.052 15.498 -6.902 110 H CYS 15 HN CYS 15 60.312 12.549 -9.217 111 HA CYS 15 HA CYS 15 62.912 13.480 -9.962 112 HB2 CYS 15 HB2 CYS 15 61.449 11.875 -11.275 113 HB3 CYS 15 HB1 CYS 15 60.550 13.296 -11.811 114 HA PRO 16 HA PRO 16 61.858 17.881 -9.416 115 HB2 PRO 16 HB2 PRO 16 64.196 18.123 -11.255 116 HB3 PRO 16 HB1 PRO 16 63.855 19.013 -9.761 117 HG2 PRO 16 HG2 PRO 16 65.646 17.046 -9.817 118 HG3 PRO 16 HG1 PRO 16 64.601 17.290 -8.418 119 HD2 PRO 16 HD2 PRO 16 64.517 15.177 -10.501 120 HD3 PRO 16 HD1 PRO 16 64.009 15.123 -8.808 121 H ALA 17 HN ALA 17 61.802 19.810 -11.095 122 HA ALA 17 HA ALA 17 59.890 19.174 -13.066 123 HB1 ALA 17 HB1 ALA 17 61.561 21.684 -12.959 124 HB2 ALA 17 HB2 ALA 17 60.161 21.412 -11.921 125 HB3 ALA 17 HB3 ALA 17 59.960 21.489 -13.672 126 H ASP 18 HN ASP 18 63.358 19.819 -13.218 127 HA ASP 18 HA ASP 18 63.339 18.945 -16.045 128 HB2 ASP 18 HB2 ASP 18 65.092 20.941 -14.623 129 HB3 ASP 18 HB1 ASP 18 65.542 20.230 -16.167 130 H ASN 19 HN ASN 19 63.583 17.449 -13.425 131 HA ASN 19 HA ASN 19 64.755 15.659 -12.624 132 HB2 ASN 19 HB2 ASN 19 66.043 15.624 -15.342 133 HB3 ASN 19 HB1 ASN 19 65.931 14.284 -14.202 134 HD21 ASN 19 HD21 ASN 19 63.062 15.851 -13.795 135 HD22 ASN 19 HD22 ASN 19 62.112 15.028 -14.936 136 H LEU 20 HN LEU 20 65.781 17.807 -11.569 137 HA LEU 20 HA LEU 20 68.416 18.393 -12.230 138 HB2 LEU 20 HB2 LEU 20 66.731 18.979 -9.832 139 HB3 LEU 20 HB1 LEU 20 68.458 19.274 -9.741 140 HG LEU 20 HG LEU 20 67.189 21.281 -10.415 141 HD11 LEU 20 HD11 LEU 20 69.564 20.457 -11.422 142 HD12 LEU 20 HD12 LEU 20 68.821 21.994 -11.849 143 HD13 LEU 20 HD13 LEU 20 68.650 20.607 -12.924 144 HD21 LEU 20 HD21 LEU 20 66.495 19.703 -12.913 145 HD22 LEU 20 HD22 LEU 20 66.033 21.367 -12.551 146 HD23 LEU 20 HD23 LEU 20 65.373 20.047 -11.600 147 H ARG 21 HN ARG 21 67.095 16.139 -9.895 148 HA ARG 21 HA ARG 21 69.727 14.822 -9.779 149 HB2 ARG 21 HB2 ARG 21 69.342 16.381 -7.788 150 HB3 ARG 21 HB1 ARG 21 68.051 15.278 -7.311 151 HG2 ARG 21 HG2 ARG 21 69.630 13.411 -7.234 152 HG3 ARG 21 HG1 ARG 21 70.932 14.462 -7.792 153 HD2 ARG 21 HD2 ARG 21 71.110 14.272 -5.387 154 HD3 ARG 21 HD1 ARG 21 70.548 15.896 -5.767 155 HE ARG 21 HE ARG 21 68.457 15.363 -4.842 156 HH11 ARG 21 HH21 ARG 21 70.544 12.610 -5.065 157 HH12 ARG 21 HH22 ARG 21 69.557 11.609 -4.055 158 HH21 ARG 21 HH11 ARG 21 67.155 14.051 -3.521 159 HH22 ARG 21 HH12 ARG 21 67.640 12.423 -3.184 160 H ALA 22 HN ALA 22 67.968 13.793 -11.398 161 HA ALA 22 HA ALA 22 67.361 11.254 -10.285 162 HB1 ALA 22 HB1 ALA 22 65.045 11.306 -10.018 163 HB2 ALA 22 HB2 ALA 22 64.851 12.707 -11.071 164 HB3 ALA 22 HB3 ALA 22 65.489 12.908 -9.444 165 H GLU 23 HN GLU 23 68.381 10.407 -12.039 166 HA GLU 23 HA GLU 23 66.863 10.025 -14.408 167 HB2 GLU 23 HB2 GLU 23 68.269 11.210 -15.996 168 HB3 GLU 23 HB1 GLU 23 67.616 12.346 -14.823 169 HG2 GLU 23 HG2 GLU 23 69.754 12.139 -13.521 170 HG3 GLU 23 HG1 GLU 23 70.402 11.150 -14.828 171 H GLY 24 HN GLY 24 68.251 8.911 -16.135 172 HA2 GLY 24 HA2 GLY 24 69.769 7.292 -16.761 173 HA3 GLY 24 HA1 GLY 24 70.738 7.731 -15.360 174 H LEU 25 HN LEU 25 67.692 6.071 -16.178 175 HA LEU 25 HA LEU 25 66.658 4.233 -15.273 176 HB2 LEU 25 HB2 LEU 25 69.568 3.527 -14.844 177 HB3 LEU 25 HB1 LEU 25 68.244 2.422 -14.467 178 HG LEU 25 HG LEU 25 67.448 2.548 -16.780 179 HD11 LEU 25 HD11 LEU 25 69.668 4.573 -16.998 180 HD12 LEU 25 HD12 LEU 25 68.014 4.663 -17.603 181 HD13 LEU 25 HD13 LEU 25 69.194 3.642 -18.420 182 HD21 LEU 25 HD21 LEU 25 69.135 0.842 -16.135 183 HD22 LEU 25 HD22 LEU 25 70.419 1.952 -16.620 184 HD23 LEU 25 HD23 LEU 25 69.297 1.320 -17.823 185 H GLU 26 HN GLU 26 66.224 3.052 -13.241 186 HA GLU 26 HA GLU 26 66.399 4.879 -10.976 187 HB2 GLU 26 HB2 GLU 26 64.848 3.235 -9.910 188 HB3 GLU 26 HB1 GLU 26 64.242 3.940 -11.406 189 HG2 GLU 26 HG2 GLU 26 65.755 1.325 -11.441 190 HG3 GLU 26 HG1 GLU 26 64.032 1.362 -11.083 191 H CYS 27 HN CYS 27 67.235 4.387 -8.958 192 HA CYS 27 HA CYS 27 68.499 1.860 -8.431 193 HB2 CYS 27 HB2 CYS 27 70.099 3.633 -9.843 194 HB3 CYS 27 HB1 CYS 27 70.580 3.963 -8.182 195 H THR 28 HN THR 28 70.360 3.003 -6.532 196 HA THR 28 HA THR 28 68.763 4.538 -4.655 197 HB THR 28 HB THR 28 67.972 2.245 -4.267 198 HG1 THR 28 HG1 THR 28 69.439 2.387 -2.046 199 HG21 THR 28 HG21 THR 28 70.826 1.593 -3.512 200 HG22 THR 28 HG22 THR 28 70.135 1.193 -5.085 201 HG23 THR 28 HG23 THR 28 69.458 0.482 -3.618 202 H LYS 29 HN LYS 29 70.349 3.663 -2.396 203 HA LYS 29 HA LYS 29 73.107 4.335 -3.103 204 HB2 LYS 29 HB2 LYS 29 71.903 6.497 -2.583 205 HB3 LYS 29 HB1 LYS 29 71.606 5.868 -0.967 206 HG2 LYS 29 HG2 LYS 29 74.194 5.490 -0.939 207 HG3 LYS 29 HG1 LYS 29 74.205 6.659 -2.252 208 HD2 LYS 29 HD2 LYS 29 74.470 7.928 -0.234 209 HD3 LYS 29 HD1 LYS 29 72.818 8.185 -0.778 210 HE2 LYS 29 HE2 LYS 29 73.071 5.857 1.044 211 HE3 LYS 29 HE1 LYS 29 73.512 7.383 1.798 212 HZ1 LYS 29 HZ1 LYS 29 71.288 8.005 0.389 213 HZ2 LYS 29 HZ2 LYS 29 71.340 7.662 2.053 214 HZ3 LYS 29 HZ3 LYS 29 70.947 6.439 0.940 215 H THR 30 HN THR 30 73.901 2.431 -2.413 216 HA THR 30 HA THR 30 73.597 1.882 0.477 217 HB THR 30 HB THR 30 73.824 -0.633 -0.420 218 HG1 THR 30 HG1 THR 30 72.022 -0.158 -2.265 219 HG21 THR 30 HG21 THR 30 71.402 -0.820 -0.207 220 HG22 THR 30 HG22 THR 30 71.253 0.933 -0.340 221 HG23 THR 30 HG23 THR 30 72.075 0.222 1.049 222 H CYS 31 HN CYS 31 75.356 0.680 1.423 223 HA CYS 31 HA CYS 31 77.845 1.645 0.837 224 HB2 CYS 31 HB2 CYS 31 78.656 -0.544 2.021 225 HB3 CYS 31 HB1 CYS 31 77.656 0.589 2.927 226 H GLN 32 HN GLN 32 76.027 -0.563 -0.980 227 HA GLN 32 HA GLN 32 78.302 -1.918 -2.181 228 HB2 GLN 32 HB2 GLN 32 76.562 -2.953 -3.640 229 HB3 GLN 32 HB1 GLN 32 76.295 -3.196 -1.915 230 HG2 GLN 32 HG2 GLN 32 74.958 -0.794 -2.414 231 HG3 GLN 32 HG1 GLN 32 74.636 -1.711 -3.867 232 HE21 GLN 32 HE21 GLN 32 74.922 -2.754 -0.420 233 HE22 GLN 32 HE22 GLN 32 73.402 -3.511 -0.382 234 H ASN 33 HN ASN 33 75.916 0.573 -3.098 235 HA ASN 33 HA ASN 33 77.399 1.091 -5.606 236 HB2 ASN 33 HB2 ASN 33 74.602 1.870 -4.788 237 HB3 ASN 33 HB1 ASN 33 75.359 2.220 -6.340 238 HD21 ASN 33 HD21 ASN 33 76.485 -0.778 -5.316 239 HD22 ASN 33 HD22 ASN 33 75.374 -1.766 -6.128 240 H TYR 34 HN TYR 34 77.050 2.254 -2.486 241 HA TYR 34 HA TYR 34 76.753 4.964 -2.651 242 HB2 TYR 34 HB2 TYR 34 77.179 3.492 -0.583 243 HB3 TYR 34 HB1 TYR 34 78.892 3.703 -0.933 244 HD1 TYR 34 HD2 TYR 34 79.836 6.066 -1.078 245 HD2 TYR 34 HD1 TYR 34 75.927 5.202 0.448 246 HE1 TYR 34 HE2 TYR 34 79.758 8.293 0.005 247 HE2 TYR 34 HE1 TYR 34 75.841 7.425 1.530 248 HH TYR 34 HH TYR 34 78.491 9.763 1.105 249 H ASP 35 HN ASP 35 79.836 3.122 -3.025 250 HA ASP 35 HA ASP 35 81.111 5.552 -4.100 251 HB2 ASP 35 HB2 ASP 35 83.189 4.174 -3.917 252 HB3 ASP 35 HB1 ASP 35 82.391 4.461 -2.376 253 H LEU 36 HN LEU 36 79.377 2.947 -5.087 254 HA LEU 36 HA LEU 36 80.737 2.793 -7.710 255 HB2 LEU 36 HB2 LEU 36 80.903 0.601 -7.063 256 HB3 LEU 36 HB1 LEU 36 79.514 0.683 -6.003 257 HG LEU 36 HG LEU 36 78.023 0.703 -8.011 258 HD11 LEU 36 HD11 LEU 36 79.366 1.572 -9.786 259 HD12 LEU 36 HD12 LEU 36 79.283 -0.136 -10.176 260 HD13 LEU 36 HD13 LEU 36 80.721 0.526 -9.397 261 HD21 LEU 36 HD21 LEU 36 78.516 -1.405 -6.905 262 HD22 LEU 36 HD22 LEU 36 79.980 -1.598 -7.873 263 HD23 LEU 36 HD23 LEU 36 78.394 -1.645 -8.647 264 H GLU 37 HN GLU 37 79.684 3.702 -9.311 265 HA GLU 37 HA GLU 37 77.109 4.858 -9.057 266 HB2 GLU 37 HB2 GLU 37 77.274 5.173 -11.526 267 HB3 GLU 37 HB1 GLU 37 78.704 5.740 -10.663 268 HG2 GLU 37 HG2 GLU 37 79.799 3.540 -11.144 269 HG3 GLU 37 HG1 GLU 37 78.399 3.101 -12.123 270 H CYS 38 HN CYS 38 75.119 4.114 -9.542 271 HA CYS 38 HA CYS 38 74.791 1.596 -11.005 272 HB2 CYS 38 HB2 CYS 38 73.692 0.420 -9.312 273 HB3 CYS 38 HB1 CYS 38 74.986 1.212 -8.423 274 H MET 39 HN MET 39 73.357 2.048 -12.545 275 HA MET 39 HA MET 39 71.777 3.359 -13.689 276 HB2 MET 39 HB2 MET 39 70.419 1.978 -11.388 277 HB3 MET 39 HB1 MET 39 69.501 2.846 -12.610 278 HG2 MET 39 HG2 MET 39 70.523 1.442 -14.358 279 HG3 MET 39 HG1 MET 39 71.455 0.585 -13.133 280 HE1 MET 39 HE1 MET 39 69.165 -1.580 -11.245 281 HE2 MET 39 HE2 MET 39 69.261 0.077 -10.653 282 HE3 MET 39 HE3 MET 39 70.687 -0.687 -11.353 283 H SER 40 HN SER 40 73.260 5.010 -11.864 284 HA SER 40 HA SER 40 73.129 6.949 -10.604 285 HB2 SER 40 HB2 SER 40 71.290 7.326 -12.952 286 HB3 SER 40 HB1 SER 40 71.542 8.626 -11.790 287 HG SER 40 HG SER 40 73.745 8.524 -12.230 288 H MET 41 HN MET 41 69.943 7.802 -11.360 289 HA MET 41 HA MET 41 68.803 6.629 -8.912 290 HB2 MET 41 HB2 MET 41 68.978 9.586 -9.518 291 HB3 MET 41 HB1 MET 41 67.866 8.903 -8.332 292 HG2 MET 41 HG2 MET 41 69.766 7.907 -7.114 293 HG3 MET 41 HG1 MET 41 70.882 8.573 -8.304 294 HE1 MET 41 HE1 MET 41 68.442 10.553 -5.071 295 HE2 MET 41 HE2 MET 41 68.113 9.081 -5.977 296 HE3 MET 41 HE3 MET 41 67.624 10.638 -6.637 297 H GLY 42 HN GLY 42 68.459 7.999 -12.074 298 HA2 GLY 42 HA2 GLY 42 66.765 7.703 -13.622 299 HA3 GLY 42 HA1 GLY 42 65.913 6.720 -12.436 300 H CYS 43 HN CYS 43 64.642 8.600 -14.119 301 HA CYS 43 HA CYS 43 64.020 10.906 -12.397 302 HB2 CYS 43 HB2 CYS 43 64.425 11.385 -14.754 303 HB3 CYS 43 HB1 CYS 43 63.191 10.220 -15.229 304 H VAL 44 HN VAL 44 63.174 8.745 -11.107 305 HA VAL 44 HA VAL 44 60.237 8.812 -11.464 306 HB VAL 44 HB VAL 44 60.151 6.395 -10.931 307 HG11 VAL 44 HG11 VAL 44 60.195 7.314 -13.297 308 HG12 VAL 44 HG12 VAL 44 60.738 5.643 -13.142 309 HG13 VAL 44 HG13 VAL 44 61.917 6.940 -13.330 310 HG21 VAL 44 HG21 VAL 44 62.227 5.078 -11.079 311 HG22 VAL 44 HG22 VAL 44 62.344 6.258 -9.776 312 HG23 VAL 44 HG23 VAL 44 63.158 6.555 -11.312 313 H SER 45 HN SER 45 59.056 8.378 -9.588 314 HA SER 45 HA SER 45 60.195 9.465 -7.194 315 HB2 SER 45 HB2 SER 45 57.838 9.821 -7.643 316 HB3 SER 45 HB1 SER 45 57.549 8.084 -7.678 317 HG SER 45 HG SER 45 57.395 9.630 -5.606 318 H GLY 46 HN GLY 46 60.916 8.490 -5.385 319 HA2 GLY 46 HA2 GLY 46 60.573 5.636 -4.951 320 HA3 GLY 46 HA1 GLY 46 62.220 6.133 -5.321 321 H CYS 47 HN CYS 47 61.604 4.938 -2.967 322 HA CYS 47 HA CYS 47 61.894 7.110 -0.967 323 HB2 CYS 47 HB2 CYS 47 60.661 5.901 0.605 324 HB3 CYS 47 HB1 CYS 47 59.747 5.732 -0.885 325 H LEU 48 HN LEU 48 63.935 7.248 -0.346 326 HA LEU 48 HA LEU 48 65.453 4.738 0.153 327 HB2 LEU 48 HB2 LEU 48 66.609 7.406 -0.678 328 HB3 LEU 48 HB1 LEU 48 67.439 5.852 -0.591 329 HG LEU 48 HG LEU 48 65.128 6.482 -2.450 330 HD11 LEU 48 HD11 LEU 48 66.841 6.483 -4.221 331 HD12 LEU 48 HD12 LEU 48 68.098 6.173 -3.025 332 HD13 LEU 48 HD13 LEU 48 67.230 7.704 -3.010 333 HD21 LEU 48 HD21 LEU 48 66.086 4.313 -3.538 334 HD22 LEU 48 HD22 LEU 48 65.127 4.133 -2.076 335 HD23 LEU 48 HD23 LEU 48 66.881 4.055 -1.984 336 H CYS 49 HN CYS 49 67.219 5.057 1.769 337 HA CYS 49 HA CYS 49 66.162 6.506 4.056 338 HB2 CYS 49 HB2 CYS 49 67.821 4.186 3.643 339 HB3 CYS 49 HB1 CYS 49 68.684 5.308 4.690 340 HA PRO 50 HA PRO 50 68.526 10.181 4.245 341 HB2 PRO 50 HB2 PRO 50 70.166 8.954 6.450 342 HB3 PRO 50 HB1 PRO 50 69.387 10.544 6.387 343 HG2 PRO 50 HG2 PRO 50 68.323 8.496 7.754 344 HG3 PRO 50 HG1 PRO 50 67.327 9.722 6.952 345 HD2 PRO 50 HD2 PRO 50 67.730 6.887 6.219 346 HD3 PRO 50 HD1 PRO 50 66.422 7.993 5.754 347 HA PRO 51 HA PRO 51 72.211 9.485 1.851 348 HB2 PRO 51 HB2 PRO 51 73.685 11.751 2.453 349 HB3 PRO 51 HB1 PRO 51 72.295 11.739 1.350 350 HG2 PRO 51 HG2 PRO 51 72.415 12.537 4.227 351 HG3 PRO 51 HG1 PRO 51 71.562 13.313 2.877 352 HD2 PRO 51 HD2 PRO 51 70.268 11.748 4.658 353 HD3 PRO 51 HD1 PRO 51 69.794 11.794 2.948 354 H GLY 52 HN GLY 52 72.385 9.892 5.285 355 HA2 GLY 52 HA2 GLY 52 75.197 9.045 5.450 356 HA3 GLY 52 HA1 GLY 52 74.177 9.546 6.796 357 H MET 53 HN MET 53 72.056 7.752 5.490 358 HA MET 53 HA MET 53 73.003 5.188 6.669 359 HB2 MET 53 HB2 MET 53 70.167 6.208 6.428 360 HB3 MET 53 HB1 MET 53 70.667 4.681 7.150 361 HG2 MET 53 HG2 MET 53 72.213 6.296 8.628 362 HG3 MET 53 HG1 MET 53 70.957 7.464 8.216 363 HE1 MET 53 HE1 MET 53 71.516 3.789 9.199 364 HE2 MET 53 HE2 MET 53 70.724 3.708 10.772 365 HE3 MET 53 HE3 MET 53 72.097 4.787 10.540 366 H VAL 54 HN VAL 54 72.515 3.268 5.752 367 HA VAL 54 HA VAL 54 71.679 3.398 2.923 368 HB VAL 54 HB VAL 54 73.356 1.397 2.668 369 HG11 VAL 54 HG11 VAL 54 74.625 4.074 3.251 370 HG12 VAL 54 HG12 VAL 54 73.662 3.778 1.805 371 HG13 VAL 54 HG13 VAL 54 75.134 2.856 2.081 372 HG21 VAL 54 HG21 VAL 54 74.392 2.700 5.199 373 HG22 VAL 54 HG22 VAL 54 75.265 1.522 4.238 374 HG23 VAL 54 HG23 VAL 54 73.776 1.054 5.057 375 H ARG 55 HN ARG 55 70.253 1.972 2.249 376 HA ARG 55 HA ARG 55 68.898 0.354 4.180 377 HB2 ARG 55 HB2 ARG 55 67.537 -0.358 2.162 378 HB3 ARG 55 HB1 ARG 55 67.552 1.371 2.496 379 HG2 ARG 55 HG2 ARG 55 69.354 1.660 0.814 380 HG3 ARG 55 HG1 ARG 55 69.263 -0.060 0.445 381 HD2 ARG 55 HD2 ARG 55 66.952 1.877 0.206 382 HD3 ARG 55 HD1 ARG 55 67.953 1.341 -1.140 383 HE ARG 55 HE ARG 55 65.904 -0.203 0.217 384 HH11 ARG 55 HH21 ARG 55 68.744 -0.214 -1.765 385 HH12 ARG 55 HH22 ARG 55 68.412 -1.760 -2.471 386 HH21 ARG 55 HH11 ARG 55 65.465 -2.229 -0.704 387 HH22 ARG 55 HH12 ARG 55 66.556 -2.900 -1.870 388 H HIS 56 HN HIS 56 69.385 -1.639 4.750 389 HA HIS 56 HA HIS 56 70.678 -3.467 2.845 390 HB2 HIS 56 HB2 HIS 56 72.588 -2.951 4.072 391 HB3 HIS 56 HB1 HIS 56 71.682 -2.597 5.540 392 HD2 HIS 56 HD2 HIS 56 72.024 -4.617 7.370 393 HE1 HIS 56 HE1 HIS 56 72.471 -7.822 4.681 394 HE2 HIS 56 HE2 HIS 56 72.397 -7.187 7.130 395 H GLU 57 HN GLU 57 69.569 -5.255 2.680 396 HA GLU 57 HA GLU 57 67.995 -6.894 3.069 397 HB2 GLU 57 HB2 GLU 57 69.847 -7.377 4.800 398 HB3 GLU 57 HB1 GLU 57 68.756 -6.666 5.986 399 HG2 GLU 57 HG2 GLU 57 67.033 -8.319 5.424 400 HG3 GLU 57 HG1 GLU 57 68.061 -8.983 4.161 401 H ASN 58 HN ASN 58 67.138 -4.135 3.166 402 HA ASN 58 HA ASN 58 65.087 -3.109 3.458 403 HB2 ASN 58 HB2 ASN 58 64.220 -5.220 5.434 404 HB3 ASN 58 HB1 ASN 58 63.244 -4.258 4.332 405 HD21 ASN 58 HD21 ASN 58 64.665 -4.637 1.912 406 HD22 ASN 58 HD22 ASN 58 64.576 -6.275 1.475 407 H ARG 59 HN ARG 59 67.569 -3.217 5.452 408 HA ARG 59 HA ARG 59 66.217 -1.727 7.620 409 HB2 ARG 59 HB2 ARG 59 68.889 -3.064 8.033 410 HB3 ARG 59 HB1 ARG 59 67.589 -2.793 9.188 411 HG2 ARG 59 HG2 ARG 59 66.406 -4.708 8.519 412 HG3 ARG 59 HG1 ARG 59 67.157 -4.761 6.930 413 HD2 ARG 59 HD2 ARG 59 68.075 -6.552 8.285 414 HD3 ARG 59 HD1 ARG 59 69.327 -5.350 7.990 415 HE ARG 59 HE ARG 59 67.923 -4.820 10.434 416 HH11 ARG 59 HH21 ARG 59 70.313 -6.784 8.901 417 HH12 ARG 59 HH22 ARG 59 71.185 -7.115 10.360 418 HH21 ARG 59 HH11 ARG 59 69.053 -5.240 12.358 419 HH22 ARG 59 HH12 ARG 59 70.470 -6.238 12.323 420 H CYS 60 HN CYS 60 67.329 0.151 8.347 421 HA CYS 60 HA CYS 60 69.364 1.142 6.428 422 HB2 CYS 60 HB2 CYS 60 67.522 2.608 8.316 423 HB3 CYS 60 HB1 CYS 60 68.792 3.378 7.370 424 H VAL 61 HN VAL 61 71.348 0.887 7.066 425 HA VAL 61 HA VAL 61 72.038 1.409 9.919 426 HB VAL 61 HB VAL 61 73.777 -0.249 9.766 427 HG11 VAL 61 HG11 VAL 61 71.385 -0.958 10.229 428 HG12 VAL 61 HG12 VAL 61 72.421 -2.240 9.603 429 HG13 VAL 61 HG13 VAL 61 71.273 -1.434 8.535 430 HG21 VAL 61 HG21 VAL 61 73.898 -1.667 7.647 431 HG22 VAL 61 HG22 VAL 61 74.519 -0.021 7.493 432 HG23 VAL 61 HG23 VAL 61 72.920 -0.422 6.866 433 H ALA 62 HN ALA 62 74.212 2.191 10.244 434 HA ALA 62 HA ALA 62 74.900 4.349 8.473 435 HB1 ALA 62 HB1 ALA 62 76.864 4.559 10.011 436 HB2 ALA 62 HB2 ALA 62 76.281 3.129 10.861 437 HB3 ALA 62 HB3 ALA 62 75.301 4.596 10.825 438 H LEU 63 HN LEU 63 76.549 4.598 7.115 439 HA LEU 63 HA LEU 63 77.299 2.563 5.460 440 HB2 LEU 63 HB2 LEU 63 78.676 5.142 6.179 441 HB3 LEU 63 HB1 LEU 63 79.352 4.066 4.957 442 HG LEU 63 HG LEU 63 76.443 4.835 4.758 443 HD11 LEU 63 HD11 LEU 63 77.744 6.960 5.080 444 HD12 LEU 63 HD12 LEU 63 76.989 6.825 3.497 445 HD13 LEU 63 HD13 LEU 63 78.717 6.525 3.673 446 HD21 LEU 63 HD21 LEU 63 78.538 4.481 2.604 447 HD22 LEU 63 HD22 LEU 63 76.789 4.411 2.446 448 HD23 LEU 63 HD23 LEU 63 77.641 3.118 3.271 449 H GLU 64 HN GLU 64 79.245 3.886 8.158 450 HA GLU 64 HA GLU 64 81.383 2.095 7.931 451 HB2 GLU 64 HB2 GLU 64 82.001 2.806 10.135 452 HB3 GLU 64 HB1 GLU 64 81.317 4.205 9.310 453 HG2 GLU 64 HG2 GLU 64 79.087 3.624 10.392 454 HG3 GLU 64 HG1 GLU 64 79.950 2.434 11.368 455 H ARG 65 HN ARG 65 78.135 1.586 9.016 456 HA ARG 65 HA ARG 65 78.908 -0.832 10.522 457 HB2 ARG 65 HB2 ARG 65 77.338 0.957 11.442 458 HB3 ARG 65 HB1 ARG 65 76.176 0.415 10.229 459 HG2 ARG 65 HG2 ARG 65 76.223 -1.844 11.142 460 HG3 ARG 65 HG1 ARG 65 77.461 -1.371 12.307 461 HD2 ARG 65 HD2 ARG 65 75.894 0.329 13.208 462 HD3 ARG 65 HD1 ARG 65 74.653 -0.279 12.116 463 HE ARG 65 HE ARG 65 75.661 -1.610 14.520 464 HH11 ARG 65 HH21 ARG 65 73.853 -1.801 11.569 465 HH12 ARG 65 HH22 ARG 65 72.981 -3.221 12.036 466 HH21 ARG 65 HH11 ARG 65 74.522 -3.485 15.127 467 HH22 ARG 65 HH12 ARG 65 73.359 -4.174 14.042 468 H CYS 66 HN CYS 66 77.919 0.131 7.447 469 HA CYS 66 HA CYS 66 76.064 -1.772 6.735 470 HB2 CYS 66 HB2 CYS 66 77.400 0.212 5.400 471 HB3 CYS 66 HB1 CYS 66 78.104 -1.217 4.647 472 HA PRO 67 HA PRO 67 78.369 -5.559 7.162 473 HB2 PRO 67 HB2 PRO 67 76.912 -7.195 5.491 474 HB3 PRO 67 HB1 PRO 67 76.383 -6.723 7.118 475 HG2 PRO 67 HG2 PRO 67 75.588 -5.594 4.469 476 HG3 PRO 67 HG1 PRO 67 74.595 -5.949 5.892 477 HD2 PRO 67 HD2 PRO 67 75.405 -3.438 5.306 478 HD3 PRO 67 HD1 PRO 67 75.195 -3.986 6.981 479 H CYS 68 HN CYS 68 79.727 -7.005 6.035 480 HA CYS 68 HA CYS 68 80.708 -5.913 3.431 481 HB2 CYS 68 HB2 CYS 68 82.713 -7.566 4.268 482 HB3 CYS 68 HB1 CYS 68 82.623 -5.852 4.665 483 H PHE 69 HN PHE 69 81.682 -7.528 1.943 484 HA PHE 69 HA PHE 69 80.301 -10.143 2.040 485 HB2 PHE 69 HB2 PHE 69 80.596 -8.593 -0.531 486 HB3 PHE 69 HB1 PHE 69 79.539 -9.961 -0.182 487 HD1 PHE 69 HD2 PHE 69 77.463 -9.656 1.133 488 HD2 PHE 69 HD1 PHE 69 80.037 -6.353 0.174 489 HE1 PHE 69 HE2 PHE 69 75.653 -8.066 1.759 490 HE2 PHE 69 HE1 PHE 69 78.232 -4.768 0.797 491 HZ PHE 69 HZ PHE 69 76.051 -5.611 1.570 492 H HIS 70 HN HIS 70 81.584 -11.796 1.709 493 HA HIS 70 HA HIS 70 84.001 -11.461 0.064 494 HB2 HIS 70 HB2 HIS 70 84.358 -11.223 2.691 495 HB3 HIS 70 HB1 HIS 70 84.262 -12.980 2.648 496 HD2 HIS 70 HD2 HIS 70 86.486 -14.263 1.533 497 HE1 HIS 70 HE1 HIS 70 88.630 -10.759 0.578 498 HE2 HIS 70 HE2 HIS 70 88.755 -13.293 0.681 499 H GLN 71 HN GLN 71 83.951 -12.971 -1.432 500 HA GLN 71 HA GLN 71 83.643 -14.958 -2.521 501 HB2 GLN 71 HB2 GLN 71 83.832 -16.008 0.315 502 HB3 GLN 71 HB1 GLN 71 83.825 -17.024 -1.122 503 HG2 GLN 71 HG2 GLN 71 85.833 -15.964 -1.956 504 HG3 GLN 71 HG1 GLN 71 85.803 -14.784 -0.647 505 HE21 GLN 71 HE21 GLN 71 88.122 -15.948 -0.504 506 HE22 GLN 71 HE22 GLN 71 88.190 -17.250 0.582 507 H GLY 72 HN GLY 72 81.284 -13.530 -2.180 508 HA2 GLY 72 HA2 GLY 72 79.045 -13.888 -2.566 509 HA3 GLY 72 HA1 GLY 72 79.342 -15.616 -2.464 510 H LYS 73 HN LYS 73 80.635 -14.536 0.304 511 HA LYS 73 HA LYS 73 78.122 -14.976 1.819 512 HB2 LYS 73 HB2 LYS 73 81.028 -15.288 2.564 513 HB3 LYS 73 HB1 LYS 73 79.721 -15.374 3.738 514 HG2 LYS 73 HG2 LYS 73 78.683 -17.192 2.395 515 HG3 LYS 73 HG1 LYS 73 80.070 -17.142 1.303 516 HD2 LYS 73 HD2 LYS 73 81.572 -17.671 3.171 517 HD3 LYS 73 HD1 LYS 73 80.198 -17.692 4.276 518 HE2 LYS 73 HE2 LYS 73 80.513 -19.978 3.754 519 HE3 LYS 73 HE1 LYS 73 79.205 -19.488 2.677 520 HZ1 LYS 73 HZ1 LYS 73 81.989 -19.237 1.770 521 HZ2 LYS 73 HZ2 LYS 73 80.576 -19.486 0.859 522 HZ3 LYS 73 HZ3 LYS 73 81.252 -20.765 1.751 523 H GLU 74 HN GLU 74 77.532 -13.645 3.506 524 HA GLU 74 HA GLU 74 78.657 -10.933 3.326 525 HB2 GLU 74 HB2 GLU 74 76.286 -11.048 2.836 526 HB3 GLU 74 HB1 GLU 74 75.978 -11.909 4.341 527 HG2 GLU 74 HG2 GLU 74 77.313 -9.203 4.374 528 HG3 GLU 74 HG1 GLU 74 75.561 -9.328 4.257 529 H TYR 75 HN TYR 75 79.717 -10.059 4.951 530 HA TYR 75 HA TYR 75 79.654 -11.418 7.593 531 HB2 TYR 75 HB2 TYR 75 81.957 -9.869 6.412 532 HB3 TYR 75 HB1 TYR 75 81.956 -10.808 7.901 533 HD1 TYR 75 HD1 TYR 75 81.344 -11.118 4.234 534 HD2 TYR 75 HD2 TYR 75 82.574 -13.079 7.847 535 HE1 TYR 75 HE1 TYR 75 81.942 -13.127 2.943 536 HE2 TYR 75 HE2 TYR 75 83.174 -15.094 6.540 537 HH TYR 75 HH TYR 75 83.535 -15.101 3.228 538 H ALA 76 HN ALA 76 80.639 -9.814 9.279 539 HA ALA 76 HA ALA 76 79.106 -7.280 9.047 540 HB1 ALA 76 HB1 ALA 76 79.643 -7.868 11.763 541 HB2 ALA 76 HB2 ALA 76 79.205 -9.400 11.016 542 HB3 ALA 76 HB3 ALA 76 78.101 -8.031 10.923 543 HA PRO 77 HA PRO 77 82.647 -4.774 9.763 544 HB2 PRO 77 HB2 PRO 77 81.856 -3.177 11.900 545 HB3 PRO 77 HB1 PRO 77 81.377 -2.913 10.212 546 HG2 PRO 77 HG2 PRO 77 79.877 -4.263 12.413 547 HG3 PRO 77 HG1 PRO 77 79.288 -3.147 11.166 548 HD2 PRO 77 HD2 PRO 77 78.878 -5.792 10.957 549 HD3 PRO 77 HD1 PRO 77 79.226 -4.809 9.519 550 H GLY 78 HN GLY 78 84.576 -5.100 10.779 551 HA2 GLY 78 HA2 GLY 78 86.090 -5.548 12.500 552 HA3 GLY 78 HA1 GLY 78 84.736 -5.745 13.607 553 H GLU 79 HN GLU 79 83.920 -7.556 11.048 554 HA GLU 79 HA GLU 79 84.591 -10.044 12.358 555 HB2 GLU 79 HB2 GLU 79 82.430 -9.496 11.045 556 HB3 GLU 79 HB1 GLU 79 83.398 -9.760 9.595 557 HG2 GLU 79 HG2 GLU 79 82.347 -11.847 10.113 558 HG3 GLU 79 HG1 GLU 79 84.042 -12.003 10.570 559 H THR 80 HN THR 80 86.224 -11.399 11.864 560 HA THR 80 HA THR 80 88.127 -10.584 9.766 561 HB THR 80 HB THR 80 89.762 -11.265 11.173 562 HG1 THR 80 HG1 THR 80 89.811 -13.242 12.012 563 HG21 THR 80 HG21 THR 80 88.242 -9.959 12.678 564 HG22 THR 80 HG22 THR 80 89.207 -11.149 13.536 565 HG23 THR 80 HG23 THR 80 87.510 -11.476 13.191 566 H VAL 81 HN VAL 81 89.051 -12.010 8.395 567 HA VAL 81 HA VAL 81 87.963 -14.732 8.250 568 HB VAL 81 HB VAL 81 87.416 -14.511 5.853 569 HG11 VAL 81 HG11 VAL 81 86.006 -12.378 7.469 570 HG12 VAL 81 HG12 VAL 81 85.735 -14.103 7.704 571 HG13 VAL 81 HG13 VAL 81 85.333 -13.349 6.160 572 HG21 VAL 81 HG21 VAL 81 88.872 -12.685 5.210 573 HG22 VAL 81 HG22 VAL 81 88.086 -11.598 6.355 574 HG23 VAL 81 HG23 VAL 81 87.207 -12.168 4.937 575 H LYS 82 HN LYS 82 89.302 -16.188 7.001 576 HA LYS 82 HA LYS 82 92.030 -15.174 6.750 577 HB2 LYS 82 HB2 LYS 82 91.285 -17.260 8.135 578 HB3 LYS 82 HB1 LYS 82 91.182 -18.062 6.570 579 HG2 LYS 82 HG2 LYS 82 93.398 -18.522 7.110 580 HG3 LYS 82 HG1 LYS 82 93.608 -17.007 6.234 581 HD2 LYS 82 HD2 LYS 82 93.520 -15.783 8.405 582 HD3 LYS 82 HD1 LYS 82 93.411 -17.326 9.243 583 HE2 LYS 82 HE2 LYS 82 95.581 -18.001 8.327 584 HE3 LYS 82 HE1 LYS 82 95.689 -16.489 7.424 585 HZ1 LYS 82 HZ1 LYS 82 96.755 -15.768 9.237 586 HZ2 LYS 82 HZ2 LYS 82 96.141 -17.002 10.231 587 HZ3 LYS 82 HZ3 LYS 82 95.207 -15.619 9.913 588 H ILE 83 HN ILE 83 93.013 -15.002 4.831 589 HA ILE 83 HA ILE 83 91.773 -16.303 2.460 590 HB ILE 83 HB ILE 83 92.909 -13.494 2.561 591 HG12 ILE 83 HG12 ILE 83 90.048 -14.420 2.149 592 HG13 ILE 83 HG11 ILE 83 90.671 -13.836 3.691 593 HG21 ILE 83 HG21 ILE 83 91.876 -13.435 0.241 594 HG22 ILE 83 HG22 ILE 83 91.664 -15.180 0.371 595 HG23 ILE 83 HG23 ILE 83 93.284 -14.485 0.394 596 HD11 ILE 83 HD11 ILE 83 89.665 -11.935 2.674 597 HD12 ILE 83 HD12 ILE 83 90.377 -12.304 1.104 598 HD13 ILE 83 HD13 ILE 83 91.397 -11.725 2.420 599 H GLY 84 HN GLY 84 93.190 -17.666 1.581 600 HA2 GLY 84 HA2 GLY 84 95.184 -18.677 1.021 601 HA3 GLY 84 HA1 GLY 84 95.747 -17.039 0.694 602 H CYS 85 HN CYS 85 97.354 -16.270 1.925 603 HA CYS 85 HA CYS 85 98.044 -17.699 4.436 604 HB2 CYS 85 HB2 CYS 85 100.289 -17.368 3.972 605 HB3 CYS 85 HB1 CYS 85 99.645 -17.565 2.346 606 H ASN 86 HN ASN 86 96.454 -15.063 3.487 607 HA ASN 86 HA ASN 86 97.346 -13.414 5.797 608 HB2 ASN 86 HB2 ASN 86 96.471 -11.473 4.312 609 HB3 ASN 86 HB1 ASN 86 98.060 -12.148 3.963 610 HD21 ASN 86 HD21 ASN 86 98.341 -12.408 1.765 611 HD22 ASN 86 HD22 ASN 86 97.133 -12.892 0.674 612 H THR 87 HN THR 87 95.787 -12.191 6.749 613 HA THR 87 HA THR 87 92.972 -13.155 6.495 614 HB THR 87 HB THR 87 94.371 -13.639 8.635 615 HG1 THR 87 HG1 THR 87 92.433 -13.499 9.801 616 HG21 THR 87 HG21 THR 87 93.306 -10.945 9.403 617 HG22 THR 87 HG22 THR 87 94.949 -11.124 8.789 618 HG23 THR 87 HG23 THR 87 94.466 -11.950 10.272 619 H CYS 88 HN CYS 88 91.310 -11.776 6.800 620 HA CYS 88 HA CYS 88 92.025 -8.914 6.611 621 HB2 CYS 88 HB2 CYS 88 91.101 -10.502 4.459 622 HB3 CYS 88 HB1 CYS 88 89.710 -9.547 4.942 623 H VAL 89 HN VAL 89 90.341 -7.436 7.132 624 HA VAL 89 HA VAL 89 88.097 -8.578 8.659 625 HB VAL 89 HB VAL 89 90.221 -7.880 10.078 626 HG11 VAL 89 HG11 VAL 89 90.424 -5.600 10.624 627 HG12 VAL 89 HG12 VAL 89 88.825 -5.208 9.990 628 HG13 VAL 89 HG13 VAL 89 90.143 -5.576 8.887 629 HG21 VAL 89 HG21 VAL 89 88.797 -7.347 11.944 630 HG22 VAL 89 HG22 VAL 89 87.956 -8.527 10.946 631 HG23 VAL 89 HG23 VAL 89 87.500 -6.829 10.868 632 H CYS 90 HN CYS 90 86.274 -7.350 8.715 633 HA CYS 90 HA CYS 90 85.859 -5.446 6.627 634 HB2 CYS 90 HB2 CYS 90 84.211 -6.201 9.042 635 HB3 CYS 90 HB1 CYS 90 83.631 -5.209 7.703 636 H ARG 91 HN ARG 91 86.831 -3.521 6.759 637 HA ARG 91 HA ARG 91 86.267 -1.843 9.113 638 HB2 ARG 91 HB2 ARG 91 88.635 -2.839 9.176 639 HB3 ARG 91 HB1 ARG 91 88.967 -1.855 7.749 640 HG2 ARG 91 HG2 ARG 91 88.369 0.177 8.971 641 HG3 ARG 91 HG1 ARG 91 87.933 -0.780 10.390 642 HD2 ARG 91 HD2 ARG 91 90.175 0.090 10.712 643 HD3 ARG 91 HD1 ARG 91 90.272 -1.650 10.463 644 HE ARG 91 HE ARG 91 91.319 -1.268 8.402 645 HH11 ARG 91 HH21 ARG 91 90.109 1.658 9.802 646 HH12 ARG 91 HH22 ARG 91 90.953 2.695 8.701 647 HH21 ARG 91 HH11 ARG 91 92.424 0.086 6.956 648 HH22 ARG 91 HH12 ARG 91 92.263 1.805 7.091 649 H ASP 92 HN ASP 92 85.239 -0.111 8.394 650 HA ASP 92 HA ASP 92 84.524 1.610 7.072 651 HB2 ASP 92 HB2 ASP 92 87.296 1.271 5.903 652 HB3 ASP 92 HB1 ASP 92 86.182 2.537 5.405 653 H ARG 93 HN ARG 93 83.401 -0.691 6.474 654 HA ARG 93 HA ARG 93 82.265 -1.834 4.810 655 HB2 ARG 93 HB2 ARG 93 82.852 0.788 3.415 656 HB3 ARG 93 HB1 ARG 93 81.831 -0.469 2.722 657 HG2 ARG 93 HG2 ARG 93 80.277 -0.316 4.571 658 HG3 ARG 93 HG1 ARG 93 81.356 0.774 5.444 659 HD2 ARG 93 HD2 ARG 93 79.400 1.849 4.174 660 HD3 ARG 93 HD1 ARG 93 81.001 2.539 3.920 661 HE ARG 93 HE ARG 93 80.079 0.497 2.019 662 HH11 ARG 93 HH21 ARG 93 80.716 3.827 2.758 663 HH12 ARG 93 HH22 ARG 93 80.746 4.322 1.099 664 HH21 ARG 93 HH11 ARG 93 80.107 1.155 -0.148 665 HH22 ARG 93 HH12 ARG 93 80.406 2.817 -0.541 666 H LYS 94 HN LYS 94 85.450 -1.561 4.813 667 HA LYS 94 HA LYS 94 85.757 -3.111 2.311 668 HB2 LYS 94 HB2 LYS 94 87.597 -0.951 3.375 669 HB3 LYS 94 HB1 LYS 94 87.954 -1.996 2.004 670 HG2 LYS 94 HG2 LYS 94 85.475 -0.263 2.081 671 HG3 LYS 94 HG1 LYS 94 87.012 0.342 1.471 672 HD2 LYS 94 HD2 LYS 94 87.074 -1.528 -0.168 673 HD3 LYS 94 HD1 LYS 94 85.497 -2.062 0.401 674 HE2 LYS 94 HE2 LYS 94 84.509 0.090 -0.231 675 HE3 LYS 94 HE1 LYS 94 86.086 0.654 -0.788 676 HZ1 LYS 94 HZ1 LYS 94 84.705 -0.205 -2.601 677 HZ2 LYS 94 HZ2 LYS 94 84.661 -1.726 -1.846 678 HZ3 LYS 94 HZ3 LYS 94 86.135 -1.099 -2.414 679 H TRP 95 HN TRP 95 87.543 -4.595 2.356 680 HA TRP 95 HA TRP 95 87.964 -5.711 5.006 681 HB2 TRP 95 HB2 TRP 95 88.556 -6.645 2.202 682 HB3 TRP 95 HB1 TRP 95 89.061 -7.526 3.633 683 HD1 TRP 95 HD1 TRP 95 86.068 -6.796 1.506 684 HE1 TRP 95 HE1 TRP 95 84.069 -8.182 2.368 685 HE3 TRP 95 HE3 TRP 95 87.987 -8.443 5.954 686 HZ2 TRP 95 HZ2 TRP 95 83.404 -9.817 4.615 687 HZ3 TRP 95 HZ3 TRP 95 86.669 -9.949 7.411 688 HH2 TRP 95 HH2 TRP 95 84.370 -10.620 6.761 689 H ASN 96 HN ASN 96 89.821 -5.593 6.121 690 HA ASN 96 HA ASN 96 92.111 -4.198 4.842 691 HB2 ASN 96 HB2 ASN 96 90.904 -3.348 7.040 692 HB3 ASN 96 HB1 ASN 96 91.874 -4.593 7.815 693 HD21 ASN 96 HD21 ASN 96 91.980 -1.454 6.290 694 HD22 ASN 96 HD22 ASN 96 93.637 -1.183 6.531 695 H CYS 97 HN CYS 97 93.352 -5.784 3.981 696 HA CYS 97 HA CYS 97 93.803 -8.285 5.414 697 HB2 CYS 97 HB2 CYS 97 94.602 -7.258 2.707 698 HB3 CYS 97 HB1 CYS 97 95.237 -8.772 3.354 699 H THR 98 HN THR 98 95.515 -8.871 6.497 700 HA THR 98 HA THR 98 97.390 -7.000 7.435 701 HB THR 98 HB THR 98 96.821 -9.059 8.591 702 HG1 THR 98 HG1 THR 98 99.550 -9.039 7.909 703 HG21 THR 98 HG21 THR 98 97.357 -11.198 7.882 704 HG22 THR 98 HG22 THR 98 98.574 -10.616 6.751 705 HG23 THR 98 HG23 THR 98 96.858 -10.418 6.387 706 H ASP 99 HN ASP 99 97.727 -9.589 5.210 707 HA ASP 99 HA ASP 99 99.000 -9.856 3.309 708 HB2 ASP 99 HB2 ASP 99 99.709 -7.995 2.152 709 HB3 ASP 99 HB1 ASP 99 98.702 -7.177 3.338 710 H HIS 100 HN HIS 100 100.027 -9.603 6.383 711 HA HIS 100 HA HIS 100 102.736 -9.450 6.508 712 HB2 HIS 100 HB2 HIS 100 102.664 -10.864 8.425 713 HB3 HIS 100 HB1 HIS 100 101.129 -10.002 8.384 714 HD2 HIS 100 HD2 HIS 100 99.206 -11.853 9.080 715 HE1 HIS 100 HE1 HIS 100 100.688 -15.128 6.874 716 HE2 HIS 100 HE2 HIS 100 98.786 -14.324 8.350 717 H VAL 101 HN VAL 101 104.319 -11.324 6.789 718 HA VAL 101 HA VAL 101 104.699 -12.603 4.300 719 HB VAL 101 HB VAL 101 105.894 -13.460 6.939 720 HG11 VAL 101 HG11 VAL 101 106.916 -13.528 4.086 721 HG12 VAL 101 HG12 VAL 101 106.311 -14.918 4.986 722 HG13 VAL 101 HG13 VAL 101 107.789 -14.107 5.504 723 HG21 VAL 101 HG21 VAL 101 106.552 -11.142 5.118 724 HG22 VAL 101 HG22 VAL 101 107.720 -11.814 6.256 725 HG23 VAL 101 HG23 VAL 101 106.219 -11.104 6.849 726 H CYS 102 HN CYS 102 104.063 -14.539 3.530 727 HA CYS 102 HA CYS 102 101.950 -15.946 4.727 728 HB2 CYS 102 HB2 CYS 102 103.899 -16.869 2.609 729 HB3 CYS 102 HB1 CYS 102 102.391 -17.678 3.010 730 H ASP 103 HN ASP 103 102.924 -16.125 6.902 731 HA ASP 103 HA ASP 103 104.009 -17.298 8.579 732 HB2 ASP 103 HB2 ASP 103 102.205 -18.860 7.932 733 HB3 ASP 103 HB1 ASP 103 103.287 -19.605 6.757
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