NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
631109 | 6gw8 | 34293 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA ASN 1 HA ASN 1 5.317 3.203 6.182 2 HB2 ASN 1 HB2 ASN 1 6.135 4.749 8.643 3 HB3 ASN 1 HB3 ASN 1 4.465 4.311 8.304 4 HD21 ASN 1 HD21 ASN 1 3.848 2.157 8.394 5 HD22 ASN 1 HD22 ASN 1 4.823 0.953 9.160 6 H GLU 2 H GLU 2 6.972 5.616 5.090 7 HA GLU 2 HA GLU 2 4.586 7.188 4.487 8 HB2 GLU 2 HB2 GLU 2 5.939 9.272 4.629 9 HB3 GLU 2 HB3 GLU 2 5.699 8.486 6.181 10 HG2 GLU 2 HG2 GLU 2 7.934 7.650 6.184 11 HG3 GLU 2 HG3 GLU 2 8.187 8.174 4.520 12 H LEU 3 H LEU 3 4.378 7.537 2.363 13 HA LEU 3 HA LEU 3 6.668 6.825 0.687 14 HB2 LEU 3 HB2 LEU 3 4.448 5.644 0.409 15 HB3 LEU 3 HB3 LEU 3 3.807 7.164 -0.183 16 HG LEU 3 HG LEU 3 5.504 7.109 -2.007 17 HD11 LEU 3 HD11 LEU 3 7.158 5.687 -0.962 18 HD12 LEU 3 HD12 LEU 3 6.611 4.972 -2.478 19 HD13 LEU 3 HD13 LEU 3 6.020 4.341 -0.942 20 HD21 LEU 3 HD21 LEU 3 3.226 6.367 -2.401 21 HD22 LEU 3 HD22 LEU 3 3.642 4.746 -1.842 22 HD23 LEU 3 HD23 LEU 3 4.372 5.387 -3.316 23 H ARG 4 H ARG 4 7.841 8.511 0.183 24 HA ARG 4 HA ARG 4 6.479 10.924 -0.778 25 HB2 ARG 4 HB2 ARG 4 8.663 10.680 1.233 26 HB3 ARG 4 HB3 ARG 4 8.808 11.984 0.066 27 HG2 ARG 4 HG2 ARG 4 7.741 12.923 1.933 28 HG3 ARG 4 HG3 ARG 4 6.463 12.670 0.748 29 HD2 ARG 4 HD2 ARG 4 5.982 10.488 1.926 30 HD3 ARG 4 HD3 ARG 4 7.072 11.038 3.199 31 HE ARG 4 HE ARG 4 4.629 12.495 2.407 32 HH11 ARG 4 HH11 ARG 4 6.887 11.440 4.898 33 HH12 ARG 4 HH12 ARG 4 5.923 12.077 6.184 34 HH21 ARG 4 HH21 ARG 4 3.395 13.330 4.102 35 HH22 ARG 4 HH22 ARG 4 3.924 13.153 5.739 36 H CYS 5 H CYS 5 8.054 12.286 -2.061 37 HA CYS 5 HA CYS 5 8.916 10.743 -4.262 38 HB2 CYS 5 HB2 CYS 5 7.982 13.025 -4.423 39 HB3 CYS 5 HB3 CYS 5 9.430 13.647 -3.637 40 H GLY 6 H GLY 6 10.994 10.457 -5.072 41 HA2 GLY 6 HA2 GLY 6 13.002 10.017 -3.100 42 HA3 GLY 6 HA3 GLY 6 13.152 9.776 -4.834 43 H CYS 7 H CYS 7 12.338 12.519 -5.409 44 HA CYS 7 HA CYS 7 14.876 13.714 -5.501 45 HB2 CYS 7 HB2 CYS 7 12.422 14.191 -6.678 46 HB3 CYS 7 HB3 CYS 7 12.598 15.573 -5.608 47 HA PRO 8 HA PRO 8 14.743 14.910 -1.158 48 HB2 PRO 8 HB2 PRO 8 17.306 15.785 -0.996 49 HB3 PRO 8 HB3 PRO 8 16.883 14.067 -0.981 50 HG2 PRO 8 HG2 PRO 8 17.878 15.756 -3.244 51 HG3 PRO 8 HG3 PRO 8 18.337 14.104 -2.794 52 HD2 PRO 8 HD2 PRO 8 16.596 14.658 -4.807 53 HD3 PRO 8 HD3 PRO 8 16.496 13.177 -3.830 54 H ASP 9 H ASP 9 14.887 16.783 -3.867 55 HA ASP 9 HA ASP 9 15.138 19.291 -2.367 56 HB2 ASP 9 HB2 ASP 9 15.172 18.853 -5.359 57 HB3 ASP 9 HB3 ASP 9 15.483 20.369 -4.523 58 H CYS 10 H CYS 10 12.872 17.214 -3.850 59 HA CYS 10 HA CYS 10 10.922 19.407 -3.941 60 HB2 CYS 10 HB2 CYS 10 11.929 18.394 -6.191 61 HB3 CYS 10 HB3 CYS 10 10.694 17.177 -5.901 62 H HIS 11 H HIS 11 9.112 19.013 -2.835 63 HA HIS 11 HA HIS 11 8.595 16.268 -1.954 64 HB2 HIS 11 HB2 HIS 11 7.541 18.923 -0.959 65 HB3 HIS 11 HB3 HIS 11 6.909 17.375 -0.417 66 HD2 HIS 11 HD2 HIS 11 10.425 19.195 -0.347 67 HE1 HIS 11 HE1 HIS 11 10.056 16.655 3.025 68 HE2 HIS 11 HE2 HIS 11 11.542 18.268 1.789 69 H CYS 12 H CYS 12 7.617 15.333 -3.614 70 HA CYS 12 HA CYS 12 5.336 16.695 -4.851 71 HB2 CYS 12 HB2 CYS 12 6.734 14.259 -5.898 72 HB3 CYS 12 HB3 CYS 12 5.730 15.409 -6.775 73 H LYS 13 H LYS 13 3.490 15.409 -5.394 74 HA LYS 13 HA LYS 13 2.789 13.566 -3.320 75 HB2 LYS 13 HB2 LYS 13 0.617 13.485 -4.868 76 HB3 LYS 13 HB3 LYS 13 0.927 14.804 -3.757 77 HG2 LYS 13 HG2 LYS 13 0.214 15.796 -5.770 78 HG3 LYS 13 HG3 LYS 13 1.953 16.052 -5.689 79 HD2 LYS 13 HD2 LYS 13 1.407 15.426 -7.938 80 HD3 LYS 13 HD3 LYS 13 2.233 14.063 -7.185 81 HE2 LYS 13 HE2 LYS 13 0.347 13.257 -8.457 82 HE3 LYS 13 HE3 LYS 13 0.038 13.021 -6.738 83 HZ1 LYS 13 HZ1 LYS 13 -1.911 13.880 -7.848 84 HZ2 LYS 13 HZ2 LYS 13 -1.054 15.209 -8.428 85 HZ3 LYS 13 HZ3 LYS 13 -1.326 15.042 -6.771 86 H VAL 14 H VAL 14 3.298 11.540 -3.397 87 HA VAL 14 HA VAL 14 3.837 10.286 -5.979 88 HB VAL 14 HB VAL 14 4.416 9.261 -3.193 89 HG11 VAL 14 HG11 VAL 14 5.836 7.619 -4.319 90 HG12 VAL 14 HG12 VAL 14 5.312 8.238 -5.886 91 HG13 VAL 14 HG13 VAL 14 4.151 7.455 -4.813 92 HG21 VAL 14 HG21 VAL 14 5.701 11.251 -3.732 93 HG22 VAL 14 HG22 VAL 14 6.228 10.511 -5.245 94 HG23 VAL 14 HG23 VAL 14 6.737 9.824 -3.702 95 H ASP 15 H ASP 15 2.605 8.759 -6.838 96 HA ASP 15 HA ASP 15 0.131 8.025 -5.505 97 HB2 ASP 15 HB2 ASP 15 0.265 8.670 -7.951 98 HB3 ASP 15 HB3 ASP 15 1.139 7.170 -8.222 99 HA PRO 16 HA PRO 16 2.169 4.390 -3.865 100 HB2 PRO 16 HB2 PRO 16 -0.617 3.517 -3.359 101 HB3 PRO 16 HB3 PRO 16 0.732 3.676 -2.229 102 HG2 PRO 16 HG2 PRO 16 -1.278 5.433 -2.226 103 HG3 PRO 16 HG3 PRO 16 0.394 5.950 -1.941 104 HD2 PRO 16 HD2 PRO 16 -1.273 6.197 -4.413 105 HD3 PRO 16 HD3 PRO 16 -0.123 7.351 -3.701 106 H GLU 17 H GLU 17 -0.315 4.400 -6.298 107 HA GLU 17 HA GLU 17 0.201 1.575 -6.907 108 HB2 GLU 17 HB2 GLU 17 -2.135 2.216 -6.570 109 HB3 GLU 17 HB3 GLU 17 -1.998 3.425 -7.835 110 HG2 GLU 17 HG2 GLU 17 -1.725 1.736 -9.503 111 HG3 GLU 17 HG3 GLU 17 -1.644 0.472 -8.274 112 H ARG 18 H ARG 18 0.847 4.743 -8.007 113 HA ARG 18 HA ARG 18 1.769 3.686 -10.612 114 HB2 ARG 18 HB2 ARG 18 0.628 6.424 -10.035 115 HB3 ARG 18 HB3 ARG 18 1.230 5.872 -11.589 116 HG2 ARG 18 HG2 ARG 18 -0.559 4.444 -11.924 117 HG3 ARG 18 HG3 ARG 18 -0.983 4.415 -10.211 118 HD2 ARG 18 HD2 ARG 18 -1.659 6.756 -10.349 119 HD3 ARG 18 HD3 ARG 18 -1.248 6.776 -12.062 120 HE ARG 18 HE ARG 18 -3.038 5.190 -12.435 121 HH11 ARG 18 HH11 ARG 18 -3.049 6.812 -9.299 122 HH12 ARG 18 HH12 ARG 18 -4.751 6.586 -9.066 123 HH21 ARG 18 HH21 ARG 18 -5.293 4.893 -12.088 124 HH22 ARG 18 HH22 ARG 18 -6.022 5.505 -10.644 125 H VAL 19 H VAL 19 3.160 3.980 -8.109 126 HA VAL 19 HA VAL 19 4.872 6.261 -8.244 127 HB VAL 19 HB VAL 19 4.456 5.381 -6.071 128 HG11 VAL 19 HG11 VAL 19 5.116 3.108 -5.392 129 HG12 VAL 19 HG12 VAL 19 5.529 2.748 -7.069 130 HG13 VAL 19 HG13 VAL 19 3.860 3.113 -6.628 131 HG21 VAL 19 HG21 VAL 19 6.689 6.259 -6.344 132 HG22 VAL 19 HG22 VAL 19 7.273 4.685 -6.886 133 HG23 VAL 19 HG23 VAL 19 6.714 4.896 -5.226 134 H PHE 20 H PHE 20 6.776 6.508 -9.194 135 HA PHE 20 HA PHE 20 7.821 4.382 -10.859 136 HB2 PHE 20 HB2 PHE 20 8.491 7.292 -10.493 137 HB3 PHE 20 HB3 PHE 20 9.580 6.225 -11.363 138 HD1 PHE 20 HD1 PHE 20 6.279 7.763 -11.352 139 HD2 PHE 20 HD2 PHE 20 9.069 5.463 -13.555 140 HE1 PHE 20 HE1 PHE 20 4.940 8.111 -13.389 141 HE2 PHE 20 HE2 PHE 20 7.755 5.805 -15.605 142 HZ PHE 20 HZ PHE 20 5.685 7.133 -15.524 143 H ASN 21 H ASN 21 9.060 2.907 -9.924 144 HA ASN 21 HA ASN 21 10.650 3.629 -7.609 145 HB2 ASN 21 HB2 ASN 21 11.159 1.240 -7.423 146 HB3 ASN 21 HB3 ASN 21 9.425 1.486 -7.574 147 HD21 ASN 21 HD21 ASN 21 12.291 0.295 -9.100 148 HD22 ASN 21 HD22 ASN 21 11.511 -0.558 -10.383 149 H HIS 22 H HIS 22 12.830 3.759 -7.563 150 HA HIS 22 HA HIS 22 14.435 2.912 -9.791 151 HB2 HIS 22 HB2 HIS 22 13.569 5.040 -10.658 152 HB3 HIS 22 HB3 HIS 22 14.128 5.875 -9.219 153 HD2 HIS 22 HD2 HIS 22 16.885 6.415 -9.158 154 HE1 HIS 22 HE1 HIS 22 17.613 5.144 -13.133 155 HE2 HIS 22 HE2 HIS 22 18.501 6.442 -11.165 156 H ASP 23 H ASP 23 16.246 2.160 -8.941 157 HA ASP 23 HA ASP 23 18.035 1.802 -7.595 158 HB2 ASP 23 HB2 ASP 23 18.448 4.262 -8.082 159 HB3 ASP 23 HB3 ASP 23 17.651 4.629 -6.559 160 H GLY 24 H GLY 24 15.172 1.527 -6.703 161 HA2 GLY 24 HA2 GLY 24 14.328 0.376 -4.851 162 HA3 GLY 24 HA3 GLY 24 15.775 0.807 -3.951 163 H GLU 25 H GLU 25 14.743 3.553 -5.400 164 HA GLU 25 HA GLU 25 13.370 4.421 -2.962 165 HB2 GLU 25 HB2 GLU 25 15.501 5.569 -3.756 166 HB3 GLU 25 HB3 GLU 25 14.566 6.140 -5.127 167 HG2 GLU 25 HG2 GLU 25 13.197 7.485 -3.772 168 HG3 GLU 25 HG3 GLU 25 13.781 6.719 -2.296 169 H ALA 26 H ALA 26 11.595 5.939 -3.240 170 HA ALA 26 HA ALA 26 9.878 5.129 -5.482 171 HB1 ALA 26 HB1 ALA 26 8.026 5.888 -4.063 172 HB2 ALA 26 HB2 ALA 26 9.184 6.352 -2.816 173 HB3 ALA 26 HB3 ALA 26 9.004 4.655 -3.268 174 H TYR 27 H TYR 27 8.925 6.646 -6.816 175 HA TYR 27 HA TYR 27 9.565 9.461 -6.295 176 HB2 TYR 27 HB2 TYR 27 10.014 8.000 -8.895 177 HB3 TYR 27 HB3 TYR 27 10.077 9.749 -8.717 178 HD1 TYR 27 HD1 TYR 27 11.773 6.584 -7.989 179 HD2 TYR 27 HD2 TYR 27 11.939 10.812 -7.606 180 HE1 TYR 27 HE1 TYR 27 14.151 6.432 -7.396 181 HE2 TYR 27 HE2 TYR 27 14.322 10.669 -7.033 182 HH TYR 27 HH TYR 27 15.786 8.726 -5.900 183 H CYS 28 H CYS 28 8.182 10.966 -7.220 184 HA CYS 28 HA CYS 28 5.459 10.212 -7.438 185 HB2 CYS 28 HB2 CYS 28 5.114 12.574 -7.983 186 HB3 CYS 28 HB3 CYS 28 6.214 12.401 -6.618 187 H SER 29 H SER 29 7.927 11.176 -9.722 188 HA SER 29 HA SER 29 6.340 10.172 -11.941 189 HB2 SER 29 HB2 SER 29 5.795 12.502 -11.947 190 HB3 SER 29 HB3 SER 29 7.464 12.962 -11.635 191 HG SER 29 HG SER 29 6.269 12.056 -14.018 192 H GLN 30 H GLN 30 7.651 10.028 -13.892 193 HA GLN 30 HA GLN 30 10.080 8.725 -13.499 194 HB2 GLN 30 HB2 GLN 30 10.330 9.158 -16.015 195 HB3 GLN 30 HB3 GLN 30 8.924 8.240 -15.485 196 HG2 GLN 30 HG2 GLN 30 7.481 10.053 -15.804 197 HG3 GLN 30 HG3 GLN 30 8.811 11.203 -15.910 198 HE21 GLN 30 HE21 GLN 30 9.962 11.351 -17.750 199 HE22 GLN 30 HE22 GLN 30 9.418 10.697 -19.265 200 H ALA 31 H ALA 31 9.256 12.073 -14.154 201 HA ALA 31 HA ALA 31 11.628 13.200 -14.937 202 HB1 ALA 31 HB1 ALA 31 10.832 15.274 -13.975 203 HB2 ALA 31 HB2 ALA 31 9.676 14.390 -12.978 204 HB3 ALA 31 HB3 ALA 31 9.500 14.402 -14.732 205 H CYS 32 H CYS 32 10.598 13.065 -11.487 206 HA CYS 32 HA CYS 32 13.151 13.833 -10.524 207 HB2 CYS 32 HB2 CYS 32 10.823 12.493 -9.128 208 HB3 CYS 32 HB3 CYS 32 12.272 13.028 -8.294 209 H ALA 33 H ALA 33 11.744 10.786 -11.339 210 HA ALA 33 HA ALA 33 13.453 9.095 -9.822 211 HB1 ALA 33 HB1 ALA 33 11.909 8.431 -12.329 212 HB2 ALA 33 HB2 ALA 33 11.270 8.367 -10.687 213 HB3 ALA 33 HB3 ALA 33 12.569 7.277 -11.169 214 H GLU 34 H GLU 34 13.525 10.275 -13.114 215 HA GLU 34 HA GLU 34 15.983 8.835 -13.703 216 HB2 GLU 34 HB2 GLU 34 14.237 10.624 -15.399 217 HB3 GLU 34 HB3 GLU 34 15.705 9.849 -15.977 218 HG2 GLU 34 HG2 GLU 34 13.295 8.390 -14.912 219 HG3 GLU 34 HG3 GLU 34 13.643 8.656 -16.620 220 H GLN 35 H GLN 35 15.477 11.381 -11.931 221 HA GLN 35 HA GLN 35 16.709 13.135 -11.211 222 HB2 GLN 35 HB2 GLN 35 18.877 12.006 -12.989 223 HB3 GLN 35 HB3 GLN 35 19.106 13.207 -11.726 224 HG2 GLN 35 HG2 GLN 35 18.343 11.558 -10.063 225 HG3 GLN 35 HG3 GLN 35 18.212 10.359 -11.348 226 HE21 GLN 35 HE21 GLN 35 19.850 10.316 -8.975 227 HE22 GLN 35 HE22 GLN 35 21.487 10.167 -9.516 228 H HIS 36 H HIS 36 15.112 13.233 -13.693 229 HA HIS 36 HA HIS 36 14.500 14.708 -15.295 230 HB2 HIS 36 HB2 HIS 36 16.289 16.697 -13.866 231 HB3 HIS 36 HB3 HIS 36 14.905 17.060 -14.892 232 HD1 HIS 36 HD1 HIS 36 12.770 17.488 -13.643 233 HD2 HIS 36 HD2 HIS 36 15.413 15.134 -11.456 234 HE1 HIS 36 HE1 HIS 36 11.670 17.101 -11.416 235 HA PRO 37 HA PRO 37 18.295 13.807 -17.665 236 HB2 PRO 37 HB2 PRO 37 17.009 12.895 -19.873 237 HB3 PRO 37 HB3 PRO 37 17.335 11.890 -18.457 238 HG2 PRO 37 HG2 PRO 37 14.825 13.321 -19.229 239 HG3 PRO 37 HG3 PRO 37 15.023 11.674 -18.597 240 HD2 PRO 37 HD2 PRO 37 14.253 13.734 -17.032 241 HD3 PRO 37 HD3 PRO 37 15.257 12.405 -16.421 242 H ASN 38 H ASN 38 15.428 15.108 -19.421 243 HA ASN 38 HA ASN 38 17.293 16.995 -20.703 244 HB2 ASN 38 HB2 ASN 38 16.353 15.115 -22.135 245 HB3 ASN 38 HB3 ASN 38 14.795 15.911 -21.990 246 HD21 ASN 38 HD21 ASN 38 17.892 17.577 -22.272 247 HD22 ASN 38 HD22 ASN 38 17.587 18.237 -23.839 248 H GLY 39 H GLY 39 15.579 17.417 -18.301 249 HA2 GLY 39 HA2 GLY 39 14.738 19.520 -17.603 250 HA3 GLY 39 HA3 GLY 39 14.353 19.892 -19.275 251 H GLU 40 H GLU 40 13.461 16.912 -17.706 252 HA GLU 40 HA GLU 40 10.684 17.433 -18.280 253 HB2 GLU 40 HB2 GLU 40 11.833 15.202 -18.625 254 HB3 GLU 40 HB3 GLU 40 11.879 15.042 -16.877 255 HG2 GLU 40 HG2 GLU 40 10.019 13.801 -17.726 256 HG3 GLU 40 HG3 GLU 40 9.415 15.198 -16.835 257 HA PRO 41 HA PRO 41 10.172 18.896 -14.043 258 HB2 PRO 41 HB2 PRO 41 7.761 20.014 -14.365 259 HB3 PRO 41 HB3 PRO 41 9.218 20.771 -15.018 260 HG2 PRO 41 HG2 PRO 41 7.137 19.150 -16.419 261 HG3 PRO 41 HG3 PRO 41 7.967 20.617 -16.963 262 HD2 PRO 41 HD2 PRO 41 8.651 18.057 -17.733 263 HD3 PRO 41 HD3 PRO 41 9.761 19.442 -17.756 264 H CYS 42 H CYS 42 8.746 18.368 -12.300 265 HA CYS 42 HA CYS 42 7.291 15.872 -12.752 266 HB2 CYS 42 HB2 CYS 42 7.618 15.519 -10.326 267 HB3 CYS 42 HB3 CYS 42 9.149 15.766 -11.163 268 HA PRO 43 HA PRO 43 3.421 17.859 -11.726 269 HB2 PRO 43 HB2 PRO 43 2.081 15.845 -10.516 270 HB3 PRO 43 HB3 PRO 43 2.428 15.836 -12.251 271 HG2 PRO 43 HG2 PRO 43 3.895 14.461 -10.025 272 HG3 PRO 43 HG3 PRO 43 3.387 13.809 -11.596 273 HD2 PRO 43 HD2 PRO 43 5.913 14.633 -11.156 274 HD3 PRO 43 HD3 PRO 43 5.117 14.836 -12.726 275 H ALA 44 H ALA 44 5.561 18.317 -9.802 276 HA ALA 44 HA ALA 44 4.603 17.875 -7.155 277 HB1 ALA 44 HB1 ALA 44 6.981 18.149 -7.646 278 HB2 ALA 44 HB2 ALA 44 6.420 19.357 -6.486 279 HB3 ALA 44 HB3 ALA 44 6.683 19.808 -8.172 280 HA PRO 45 HA PRO 45 1.769 21.185 -6.382 281 HB2 PRO 45 HB2 PRO 45 3.581 21.971 -4.148 282 HB3 PRO 45 HB3 PRO 45 1.842 21.661 -4.132 283 HG2 PRO 45 HG2 PRO 45 3.570 19.873 -3.168 284 HG3 PRO 45 HG3 PRO 45 2.113 19.368 -4.044 285 HD2 PRO 45 HD2 PRO 45 4.951 19.383 -4.917 286 HD3 PRO 45 HD3 PRO 45 3.632 18.285 -5.365 287 H ASP 46 H ASP 46 4.945 22.484 -5.360 288 HA ASP 46 HA ASP 46 4.502 24.726 -7.233 289 HB2 ASP 46 HB2 ASP 46 4.398 25.460 -4.908 290 HB3 ASP 46 HB3 ASP 46 5.944 24.695 -4.569 291 H CYS 47 H CYS 47 6.418 22.084 -6.461 292 HA CYS 47 HA CYS 47 8.271 21.152 -7.314 293 HB2 CYS 47 HB2 CYS 47 7.104 21.872 -9.439 294 HB3 CYS 47 HB3 CYS 47 8.223 23.230 -9.483 295 H HIS 48 H HIS 48 10.554 21.317 -7.485 296 HA HIS 48 HA HIS 48 11.726 23.900 -6.670 297 HB2 HIS 48 HB2 HIS 48 11.961 21.283 -5.214 298 HB3 HIS 48 HB3 HIS 48 13.216 22.502 -5.090 299 HD1 HIS 48 HD1 HIS 48 12.983 23.666 -2.955 300 HD2 HIS 48 HD2 HIS 48 9.276 22.773 -4.590 301 HE1 HIS 48 HE1 HIS 48 11.301 24.575 -1.337 302 HE2 HIS 48 HE2 HIS 48 9.094 24.274 -2.497 303 H CYS 49 H CYS 49 12.273 20.610 -7.820 304 HA CYS 49 HA CYS 49 15.038 20.886 -8.293 305 HB2 CYS 49 HB2 CYS 49 14.527 18.784 -9.728 306 HB3 CYS 49 HB3 CYS 49 14.354 18.722 -7.975 307 H GLU 50 H GLU 50 15.987 22.017 -9.786 308 HA GLU 50 HA GLU 50 14.872 22.091 -12.507 309 HB2 GLU 50 HB2 GLU 50 16.175 24.383 -11.026 310 HB3 GLU 50 HB3 GLU 50 15.715 24.406 -12.720 311 HG2 GLU 50 HG2 GLU 50 13.395 24.240 -12.148 312 HG3 GLU 50 HG3 GLU 50 13.791 24.025 -10.444 313 H ARG 51 H ARG 51 17.285 21.037 -10.598 314 HA ARG 51 HA ARG 51 19.505 21.743 -12.288 315 HB2 ARG 51 HB2 ARG 51 20.872 20.707 -10.546 316 HB3 ARG 51 HB3 ARG 51 19.815 21.940 -9.872 317 HG2 ARG 51 HG2 ARG 51 18.333 20.272 -8.989 318 HG3 ARG 51 HG3 ARG 51 19.227 18.988 -9.805 319 HD2 ARG 51 HD2 ARG 51 21.193 19.499 -8.458 320 HD3 ARG 51 HD3 ARG 51 20.315 20.798 -7.658 321 HE ARG 51 HE ARG 51 18.741 18.895 -6.975 322 HH11 ARG 51 HH11 ARG 51 22.219 18.565 -7.336 323 HH12 ARG 51 HH12 ARG 51 22.347 17.311 -6.157 324 HH21 ARG 51 HH21 ARG 51 18.907 17.285 -5.389 325 HH22 ARG 51 HH22 ARG 51 20.452 16.579 -5.028 326 H SER 52 H SER 52 20.954 20.054 -12.882 327 HA SER 52 HA SER 52 21.348 18.346 -14.167 328 HB2 SER 52 HB2 SER 52 20.724 16.053 -13.113 329 HB3 SER 52 HB3 SER 52 21.839 17.121 -12.271 330 HG SER 52 HG SER 52 19.140 17.455 -11.683 Start of MODEL 2 1 HA ASN 1 HA ASN 1 5.317 7.039 7.183 2 HB2 ASN 1 HB2 ASN 1 6.711 4.921 7.415 3 HB3 ASN 1 HB3 ASN 1 6.173 4.483 5.800 4 HD21 ASN 1 HD21 ASN 1 8.853 4.880 6.624 5 HD22 ASN 1 HD22 ASN 1 9.491 6.204 5.714 6 H GLU 2 H GLU 2 4.192 8.344 5.869 7 HA GLU 2 HA GLU 2 2.675 7.493 3.639 8 HB2 GLU 2 HB2 GLU 2 3.765 10.212 4.372 9 HB3 GLU 2 HB3 GLU 2 2.618 9.919 3.072 10 HG2 GLU 2 HG2 GLU 2 0.937 9.238 4.576 11 HG3 GLU 2 HG3 GLU 2 2.072 9.141 5.916 12 H LEU 3 H LEU 3 3.123 8.063 1.370 13 HA LEU 3 HA LEU 3 5.891 7.359 0.822 14 HB2 LEU 3 HB2 LEU 3 3.887 6.102 -0.108 15 HB3 LEU 3 HB3 LEU 3 3.653 7.474 -1.171 16 HG LEU 3 HG LEU 3 5.838 7.092 -2.189 17 HD11 LEU 3 HD11 LEU 3 7.103 5.045 -1.626 18 HD12 LEU 3 HD12 LEU 3 6.019 4.779 -0.261 19 HD13 LEU 3 HD13 LEU 3 7.056 6.205 -0.301 20 HD21 LEU 3 HD21 LEU 3 5.333 4.991 -3.305 21 HD22 LEU 3 HD22 LEU 3 3.871 5.956 -3.100 22 HD23 LEU 3 HD23 LEU 3 4.178 4.584 -2.037 23 H ARG 4 H ARG 4 7.263 8.921 0.504 24 HA ARG 4 HA ARG 4 6.375 11.362 -0.882 25 HB2 ARG 4 HB2 ARG 4 8.738 10.958 0.970 26 HB3 ARG 4 HB3 ARG 4 8.409 12.438 0.090 27 HG2 ARG 4 HG2 ARG 4 7.576 12.927 2.172 28 HG3 ARG 4 HG3 ARG 4 6.128 12.360 1.341 29 HD2 ARG 4 HD2 ARG 4 6.377 10.168 2.351 30 HD3 ARG 4 HD3 ARG 4 7.884 10.671 3.117 31 HE ARG 4 HE ARG 4 5.546 12.251 3.766 32 HH11 ARG 4 HH11 ARG 4 7.599 9.560 4.694 33 HH12 ARG 4 HH12 ARG 4 7.136 9.618 6.356 34 HH21 ARG 4 HH21 ARG 4 4.931 12.323 5.975 35 HH22 ARG 4 HH22 ARG 4 5.612 11.193 7.089 36 H CYS 5 H CYS 5 7.980 12.354 -2.324 37 HA CYS 5 HA CYS 5 8.971 10.475 -4.171 38 HB2 CYS 5 HB2 CYS 5 8.187 12.870 -4.588 39 HB3 CYS 5 HB3 CYS 5 9.787 13.365 -4.054 40 H GLY 6 H GLY 6 11.053 9.889 -4.708 41 HA2 GLY 6 HA2 GLY 6 12.918 9.809 -2.507 42 HA3 GLY 6 HA3 GLY 6 13.101 9.084 -4.098 43 H CYS 7 H CYS 7 12.419 11.806 -5.185 44 HA CYS 7 HA CYS 7 14.977 12.594 -5.858 45 HB2 CYS 7 HB2 CYS 7 12.781 13.246 -6.953 46 HB3 CYS 7 HB3 CYS 7 12.637 14.482 -5.713 47 HA PRO 8 HA PRO 8 16.134 14.338 -1.881 48 HB2 PRO 8 HB2 PRO 8 18.698 14.947 -2.627 49 HB3 PRO 8 HB3 PRO 8 18.179 13.347 -2.089 50 HG2 PRO 8 HG2 PRO 8 18.604 14.367 -4.860 51 HG3 PRO 8 HG3 PRO 8 19.002 12.783 -4.173 52 HD2 PRO 8 HD2 PRO 8 16.835 13.197 -5.735 53 HD3 PRO 8 HD3 PRO 8 16.844 11.992 -4.429 54 H ASP 9 H ASP 9 15.762 15.856 -4.855 55 HA ASP 9 HA ASP 9 16.440 18.480 -3.723 56 HB2 ASP 9 HB2 ASP 9 16.299 17.526 -6.570 57 HB3 ASP 9 HB3 ASP 9 16.259 19.238 -6.168 58 H CYS 10 H CYS 10 13.806 16.527 -4.180 59 HA CYS 10 HA CYS 10 12.054 18.850 -4.183 60 HB2 CYS 10 HB2 CYS 10 12.442 17.901 -6.561 61 HB3 CYS 10 HB3 CYS 10 11.400 16.588 -6.028 62 H HIS 11 H HIS 11 9.955 18.436 -3.421 63 HA HIS 11 HA HIS 11 9.621 15.853 -2.064 64 HB2 HIS 11 HB2 HIS 11 8.833 18.611 -1.103 65 HB3 HIS 11 HB3 HIS 11 8.231 17.127 -0.379 66 HD2 HIS 11 HD2 HIS 11 11.552 19.187 -0.571 67 HE1 HIS 11 HE1 HIS 11 11.972 16.183 2.391 68 HE2 HIS 11 HE2 HIS 11 13.063 18.142 1.250 69 H CYS 12 H CYS 12 8.368 14.897 -3.579 70 HA CYS 12 HA CYS 12 5.913 16.289 -4.379 71 HB2 CYS 12 HB2 CYS 12 6.941 13.819 -5.719 72 HB3 CYS 12 HB3 CYS 12 5.943 15.108 -6.376 73 H LYS 13 H LYS 13 3.949 15.329 -4.040 74 HA LYS 13 HA LYS 13 3.783 13.245 -2.115 75 HB2 LYS 13 HB2 LYS 13 1.348 13.337 -2.548 76 HB3 LYS 13 HB3 LYS 13 2.041 14.905 -2.172 77 HG2 LYS 13 HG2 LYS 13 1.963 15.554 -4.487 78 HG3 LYS 13 HG3 LYS 13 1.439 13.937 -4.960 79 HD2 LYS 13 HD2 LYS 13 -0.086 15.788 -3.146 80 HD3 LYS 13 HD3 LYS 13 -0.417 15.575 -4.869 81 HE2 LYS 13 HE2 LYS 13 -0.806 13.156 -4.427 82 HE3 LYS 13 HE3 LYS 13 -0.597 13.471 -2.710 83 HZ1 LYS 13 HZ1 LYS 13 -2.915 13.431 -3.235 84 HZ2 LYS 13 HZ2 LYS 13 -2.727 14.577 -4.454 85 HZ3 LYS 13 HZ3 LYS 13 -2.485 15.014 -2.835 86 H VAL 14 H VAL 14 3.867 11.120 -2.467 87 HA VAL 14 HA VAL 14 3.591 10.233 -5.249 88 HB VAL 14 HB VAL 14 5.212 8.977 -3.026 89 HG11 VAL 14 HG11 VAL 14 4.294 7.321 -4.588 90 HG12 VAL 14 HG12 VAL 14 6.047 7.454 -4.711 91 HG13 VAL 14 HG13 VAL 14 5.017 8.203 -5.934 92 HG21 VAL 14 HG21 VAL 14 7.135 9.634 -4.385 93 HG22 VAL 14 HG22 VAL 14 6.198 11.029 -3.852 94 HG23 VAL 14 HG23 VAL 14 6.054 10.449 -5.512 95 H ASP 15 H ASP 15 2.343 8.549 -5.746 96 HA ASP 15 HA ASP 15 0.572 7.514 -3.651 97 HB2 ASP 15 HB2 ASP 15 -0.482 8.714 -5.531 98 HB3 ASP 15 HB3 ASP 15 0.231 7.561 -6.644 99 HA PRO 16 HA PRO 16 2.717 3.641 -3.964 100 HB2 PRO 16 HB2 PRO 16 0.134 2.422 -3.177 101 HB3 PRO 16 HB3 PRO 16 1.714 2.311 -2.396 102 HG2 PRO 16 HG2 PRO 16 -0.228 3.797 -1.336 103 HG3 PRO 16 HG3 PRO 16 1.461 4.339 -1.300 104 HD2 PRO 16 HD2 PRO 16 -0.772 5.204 -3.098 105 HD3 PRO 16 HD3 PRO 16 0.489 6.177 -2.308 106 H GLU 17 H GLU 17 -0.176 4.287 -5.764 107 HA GLU 17 HA GLU 17 0.257 1.862 -7.362 108 HB2 GLU 17 HB2 GLU 17 -2.033 2.259 -6.550 109 HB3 GLU 17 HB3 GLU 17 -2.055 3.808 -7.376 110 HG2 GLU 17 HG2 GLU 17 -3.283 2.181 -8.651 111 HG3 GLU 17 HG3 GLU 17 -1.826 2.645 -9.528 112 H ARG 18 H ARG 18 0.592 5.295 -7.414 113 HA ARG 18 HA ARG 18 1.091 5.247 -10.328 114 HB2 ARG 18 HB2 ARG 18 0.452 7.591 -8.528 115 HB3 ARG 18 HB3 ARG 18 0.768 7.699 -10.250 116 HG2 ARG 18 HG2 ARG 18 -1.230 6.663 -10.815 117 HG3 ARG 18 HG3 ARG 18 -1.434 5.968 -9.207 118 HD2 ARG 18 HD2 ARG 18 -2.979 7.825 -9.577 119 HD3 ARG 18 HD3 ARG 18 -1.833 8.175 -8.284 120 HE ARG 18 HE ARG 18 -0.964 9.170 -10.825 121 HH11 ARG 18 HH11 ARG 18 -3.044 9.838 -8.079 122 HH12 ARG 18 HH12 ARG 18 -3.018 11.551 -8.306 123 HH21 ARG 18 HH21 ARG 18 -0.910 11.467 -11.119 124 HH22 ARG 18 HH22 ARG 18 -1.785 12.484 -10.028 125 H VAL 19 H VAL 19 2.830 4.517 -8.092 126 HA VAL 19 HA VAL 19 4.884 6.556 -8.065 127 HB VAL 19 HB VAL 19 4.480 5.525 -5.956 128 HG11 VAL 19 HG11 VAL 19 3.439 3.481 -6.664 129 HG12 VAL 19 HG12 VAL 19 4.777 3.111 -5.573 130 HG13 VAL 19 HG13 VAL 19 4.968 2.882 -7.313 131 HG21 VAL 19 HG21 VAL 19 6.799 6.034 -6.350 132 HG22 VAL 19 HG22 VAL 19 7.046 4.467 -7.121 133 HG23 VAL 19 HG23 VAL 19 6.672 4.553 -5.399 134 H PHE 20 H PHE 20 6.752 6.523 -9.103 135 HA PHE 20 HA PHE 20 7.360 4.272 -10.869 136 HB2 PHE 20 HB2 PHE 20 8.241 7.142 -10.768 137 HB3 PHE 20 HB3 PHE 20 9.204 5.956 -11.633 138 HD1 PHE 20 HD1 PHE 20 6.280 8.035 -11.685 139 HD2 PHE 20 HD2 PHE 20 8.169 4.722 -13.554 140 HE1 PHE 20 HE1 PHE 20 4.812 8.312 -13.642 141 HE2 PHE 20 HE2 PHE 20 6.711 4.989 -15.517 142 HZ PHE 20 HZ PHE 20 5.029 6.786 -15.563 143 H ASN 21 H ASN 21 9.155 3.026 -10.545 144 HA ASN 21 HA ASN 21 10.613 3.613 -8.067 145 HB2 ASN 21 HB2 ASN 21 9.329 1.533 -7.966 146 HB3 ASN 21 HB3 ASN 21 10.153 0.940 -9.403 147 HD21 ASN 21 HD21 ASN 21 12.241 0.170 -9.234 148 HD22 ASN 21 HD22 ASN 21 13.005 -0.135 -7.717 149 H HIS 22 H HIS 22 12.733 3.738 -8.036 150 HA HIS 22 HA HIS 22 14.395 2.674 -10.125 151 HB2 HIS 22 HB2 HIS 22 13.801 4.788 -11.189 152 HB3 HIS 22 HB3 HIS 22 14.187 5.680 -9.727 153 HD2 HIS 22 HD2 HIS 22 16.895 6.264 -9.375 154 HE1 HIS 22 HE1 HIS 22 18.196 4.528 -13.020 155 HE2 HIS 22 HE2 HIS 22 18.778 6.107 -11.149 156 H ASP 23 H ASP 23 16.283 2.067 -9.252 157 HA ASP 23 HA ASP 23 17.952 1.745 -7.745 158 HB2 ASP 23 HB2 ASP 23 18.253 4.231 -8.060 159 HB3 ASP 23 HB3 ASP 23 17.234 4.482 -6.649 160 H GLY 24 H GLY 24 15.068 1.165 -7.176 161 HA2 GLY 24 HA2 GLY 24 13.984 0.010 -5.493 162 HA3 GLY 24 HA3 GLY 24 15.392 0.257 -4.470 163 H GLU 25 H GLU 25 14.416 3.149 -5.785 164 HA GLU 25 HA GLU 25 13.116 3.891 -3.274 165 HB2 GLU 25 HB2 GLU 25 15.288 4.982 -4.011 166 HB3 GLU 25 HB3 GLU 25 14.355 5.711 -5.307 167 HG2 GLU 25 HG2 GLU 25 13.057 6.971 -3.800 168 HG3 GLU 25 HG3 GLU 25 13.686 6.083 -2.413 169 H ALA 26 H ALA 26 11.377 5.391 -3.379 170 HA ALA 26 HA ALA 26 9.625 4.893 -5.672 171 HB1 ALA 26 HB1 ALA 26 8.750 4.279 -3.497 172 HB2 ALA 26 HB2 ALA 26 7.821 5.627 -4.157 173 HB3 ALA 26 HB3 ALA 26 9.022 5.915 -2.901 174 H TYR 27 H TYR 27 8.967 6.469 -7.018 175 HA TYR 27 HA TYR 27 9.505 9.267 -6.275 176 HB2 TYR 27 HB2 TYR 27 10.020 8.014 -8.973 177 HB3 TYR 27 HB3 TYR 27 10.197 9.718 -8.587 178 HD1 TYR 27 HD1 TYR 27 11.704 6.425 -8.419 179 HD2 TYR 27 HD2 TYR 27 12.049 10.457 -7.113 180 HE1 TYR 27 HE1 TYR 27 14.055 6.034 -7.837 181 HE2 TYR 27 HE2 TYR 27 14.402 10.070 -6.532 182 HH TYR 27 HH TYR 27 15.781 7.889 -5.842 183 H CYS 28 H CYS 28 8.212 10.823 -7.440 184 HA CYS 28 HA CYS 28 5.475 10.038 -7.706 185 HB2 CYS 28 HB2 CYS 28 5.103 12.383 -8.243 186 HB3 CYS 28 HB3 CYS 28 6.206 12.246 -6.875 187 H SER 29 H SER 29 8.002 11.004 -9.939 188 HA SER 29 HA SER 29 6.414 10.079 -12.211 189 HB2 SER 29 HB2 SER 29 5.987 12.428 -12.188 190 HB3 SER 29 HB3 SER 29 7.671 12.798 -11.833 191 HG SER 29 HG SER 29 6.609 12.818 -14.163 192 H GLN 30 H GLN 30 7.728 9.803 -14.139 193 HA GLN 30 HA GLN 30 10.126 8.470 -13.682 194 HB2 GLN 30 HB2 GLN 30 10.442 8.642 -16.179 195 HB3 GLN 30 HB3 GLN 30 8.937 7.911 -15.652 196 HG2 GLN 30 HG2 GLN 30 8.964 10.818 -16.239 197 HG3 GLN 30 HG3 GLN 30 9.016 9.689 -17.595 198 HE21 GLN 30 HE21 GLN 30 7.094 11.097 -15.106 199 HE22 GLN 30 HE22 GLN 30 5.599 10.347 -15.536 200 H ALA 31 H ALA 31 9.457 11.839 -14.168 201 HA ALA 31 HA ALA 31 11.969 12.768 -15.002 202 HB1 ALA 31 HB1 ALA 31 9.961 14.178 -14.955 203 HB2 ALA 31 HB2 ALA 31 11.291 14.926 -14.071 204 HB3 ALA 31 HB3 ALA 31 9.978 14.142 -13.192 205 H CYS 32 H CYS 32 10.682 12.733 -11.668 206 HA CYS 32 HA CYS 32 13.194 13.228 -10.465 207 HB2 CYS 32 HB2 CYS 32 10.587 12.164 -9.398 208 HB3 CYS 32 HB3 CYS 32 11.993 12.395 -8.374 209 H ALA 33 H ALA 33 11.467 10.332 -11.323 210 HA ALA 33 HA ALA 33 12.861 8.469 -9.769 211 HB1 ALA 33 HB1 ALA 33 11.657 7.958 -12.484 212 HB2 ALA 33 HB2 ALA 33 10.736 8.026 -10.983 213 HB3 ALA 33 HB3 ALA 33 11.959 6.776 -11.211 214 H GLU 34 H GLU 34 13.334 9.400 -13.122 215 HA GLU 34 HA GLU 34 15.702 7.803 -13.401 216 HB2 GLU 34 HB2 GLU 34 14.515 9.872 -15.247 217 HB3 GLU 34 HB3 GLU 34 15.809 8.757 -15.658 218 HG2 GLU 34 HG2 GLU 34 12.970 8.034 -14.964 219 HG3 GLU 34 HG3 GLU 34 13.708 7.989 -16.564 220 H GLN 35 H GLN 35 15.285 10.452 -11.685 221 HA GLN 35 HA GLN 35 16.640 12.009 -10.790 222 HB2 GLN 35 HB2 GLN 35 18.815 10.497 -12.245 223 HB3 GLN 35 HB3 GLN 35 19.094 11.739 -11.029 224 HG2 GLN 35 HG2 GLN 35 17.976 10.383 -9.355 225 HG3 GLN 35 HG3 GLN 35 17.617 9.156 -10.566 226 HE21 GLN 35 HE21 GLN 35 20.076 10.633 -8.626 227 HE22 GLN 35 HE22 GLN 35 21.275 9.407 -8.853 228 H HIS 36 H HIS 36 15.377 12.323 -13.382 229 HA HIS 36 HA HIS 36 15.130 13.856 -15.024 230 HB2 HIS 36 HB2 HIS 36 16.963 15.584 -13.347 231 HB3 HIS 36 HB3 HIS 36 15.810 16.135 -14.555 232 HD1 HIS 36 HD1 HIS 36 13.595 16.852 -13.645 233 HD2 HIS 36 HD2 HIS 36 15.543 14.246 -11.066 234 HE1 HIS 36 HE1 HIS 36 12.226 16.822 -11.550 235 HA PRO 37 HA PRO 37 19.164 12.900 -17.018 236 HB2 PRO 37 HB2 PRO 37 18.234 11.407 -19.035 237 HB3 PRO 37 HB3 PRO 37 18.446 10.737 -17.413 238 HG2 PRO 37 HG2 PRO 37 15.950 11.677 -18.761 239 HG3 PRO 37 HG3 PRO 37 16.201 10.250 -17.740 240 HD2 PRO 37 HD2 PRO 37 15.097 12.618 -16.862 241 HD3 PRO 37 HD3 PRO 37 15.904 11.440 -15.809 242 H ASN 38 H ASN 38 16.302 14.512 -17.959 243 HA ASN 38 HA ASN 38 17.681 15.678 -20.313 244 HB2 ASN 38 HB2 ASN 38 15.576 14.489 -20.851 245 HB3 ASN 38 HB3 ASN 38 14.711 15.567 -19.758 246 HD21 ASN 38 HD21 ASN 38 16.582 15.394 -22.692 247 HD22 ASN 38 HD22 ASN 38 15.987 16.854 -23.386 248 H GLY 39 H GLY 39 16.496 16.197 -17.200 249 HA2 GLY 39 HA2 GLY 39 16.865 18.141 -15.914 250 HA3 GLY 39 HA3 GLY 39 17.053 19.062 -17.406 251 H GLU 40 H GLU 40 14.504 16.824 -17.169 252 HA GLU 40 HA GLU 40 12.550 18.879 -17.574 253 HB2 GLU 40 HB2 GLU 40 10.976 17.011 -17.853 254 HB3 GLU 40 HB3 GLU 40 12.407 16.793 -18.843 255 HG2 GLU 40 HG2 GLU 40 12.158 15.467 -16.158 256 HG3 GLU 40 HG3 GLU 40 11.420 14.766 -17.592 257 HA PRO 41 HA PRO 41 11.569 19.218 -13.190 258 HB2 PRO 41 HB2 PRO 41 9.199 20.673 -14.179 259 HB3 PRO 41 HB3 PRO 41 10.484 21.233 -13.107 260 HG2 PRO 41 HG2 PRO 41 10.272 22.117 -15.631 261 HG3 PRO 41 HG3 PRO 41 11.847 21.876 -14.854 262 HD2 PRO 41 HD2 PRO 41 10.425 20.145 -16.837 263 HD3 PRO 41 HD3 PRO 41 12.150 20.558 -16.724 264 H CYS 42 H CYS 42 10.002 18.289 -11.820 265 HA CYS 42 HA CYS 42 8.403 16.226 -13.066 266 HB2 CYS 42 HB2 CYS 42 8.030 15.493 -10.740 267 HB3 CYS 42 HB3 CYS 42 9.740 15.731 -11.074 268 HA PRO 43 HA PRO 43 4.529 18.359 -12.718 269 HB2 PRO 43 HB2 PRO 43 2.757 16.419 -12.194 270 HB3 PRO 43 HB3 PRO 43 3.635 16.483 -13.727 271 HG2 PRO 43 HG2 PRO 43 4.162 14.798 -11.313 272 HG3 PRO 43 HG3 PRO 43 4.199 14.342 -13.026 273 HD2 PRO 43 HD2 PRO 43 6.428 14.926 -11.561 274 HD3 PRO 43 HD3 PRO 43 6.325 15.140 -13.317 275 H ALA 44 H ALA 44 6.107 17.836 -10.038 276 HA ALA 44 HA ALA 44 4.079 17.690 -8.041 277 HB1 ALA 44 HB1 ALA 44 6.902 18.740 -7.825 278 HB2 ALA 44 HB2 ALA 44 6.401 17.071 -7.568 279 HB3 ALA 44 HB3 ALA 44 5.840 18.337 -6.477 280 HA PRO 45 HA PRO 45 2.431 21.773 -8.327 281 HB2 PRO 45 HB2 PRO 45 1.606 22.051 -5.712 282 HB3 PRO 45 HB3 PRO 45 0.707 21.170 -6.952 283 HG2 PRO 45 HG2 PRO 45 2.562 20.120 -4.851 284 HG3 PRO 45 HG3 PRO 45 1.002 19.470 -5.392 285 HD2 PRO 45 HD2 PRO 45 3.311 18.399 -6.205 286 HD3 PRO 45 HD3 PRO 45 1.923 18.530 -7.305 287 H ASP 46 H ASP 46 4.516 21.069 -5.531 288 HA ASP 46 HA ASP 46 5.399 23.878 -5.577 289 HB2 ASP 46 HB2 ASP 46 6.028 23.624 -3.261 290 HB3 ASP 46 HB3 ASP 46 4.370 23.064 -3.453 291 H CYS 47 H CYS 47 6.334 21.750 -7.333 292 HA CYS 47 HA CYS 47 8.692 20.513 -6.739 293 HB2 CYS 47 HB2 CYS 47 7.725 20.151 -8.872 294 HB3 CYS 47 HB3 CYS 47 7.827 21.860 -9.282 295 H HIS 48 H HIS 48 10.790 21.011 -6.509 296 HA HIS 48 HA HIS 48 11.620 23.792 -6.968 297 HB2 HIS 48 HB2 HIS 48 12.180 22.160 -4.488 298 HB3 HIS 48 HB3 HIS 48 13.029 23.648 -4.884 299 HD1 HIS 48 HD1 HIS 48 10.774 22.802 -2.535 300 HD2 HIS 48 HD2 HIS 48 10.519 25.561 -5.620 301 HE1 HIS 48 HE1 HIS 48 9.006 24.427 -1.831 302 HE2 HIS 48 HE2 HIS 48 9.044 26.213 -3.603 303 H CYS 49 H CYS 49 12.071 20.736 -7.920 304 HA CYS 49 HA CYS 49 14.991 20.915 -8.036 305 HB2 CYS 49 HB2 CYS 49 14.929 18.568 -8.755 306 HB3 CYS 49 HB3 CYS 49 14.116 18.795 -7.212 307 H GLU 50 H GLU 50 16.095 20.729 -9.976 308 HA GLU 50 HA GLU 50 16.556 21.374 -12.082 309 HB2 GLU 50 HB2 GLU 50 14.075 19.788 -12.644 310 HB3 GLU 50 HB3 GLU 50 15.268 20.275 -13.846 311 HG2 GLU 50 HG2 GLU 50 15.833 18.578 -11.450 312 HG3 GLU 50 HG3 GLU 50 15.533 17.990 -13.082 313 H ARG 51 H ARG 51 16.219 23.453 -11.595 314 HA ARG 51 HA ARG 51 13.697 24.665 -12.405 315 HB2 ARG 51 HB2 ARG 51 16.139 25.945 -11.196 316 HB3 ARG 51 HB3 ARG 51 14.627 26.771 -11.544 317 HG2 ARG 51 HG2 ARG 51 13.522 25.110 -10.022 318 HG3 ARG 51 HG3 ARG 51 15.145 24.621 -9.530 319 HD2 ARG 51 HD2 ARG 51 14.300 26.252 -7.963 320 HD3 ARG 51 HD3 ARG 51 15.611 26.969 -8.900 321 HE ARG 51 HE ARG 51 12.915 27.423 -9.882 322 HH11 ARG 51 HH11 ARG 51 15.656 28.692 -8.099 323 HH12 ARG 51 HH12 ARG 51 15.110 30.330 -8.171 324 HH21 ARG 51 HH21 ARG 51 12.190 29.598 -9.987 325 HH22 ARG 51 HH22 ARG 51 13.134 30.849 -9.257 326 H SER 52 H SER 52 13.391 25.301 -14.375 327 HA SER 52 HA SER 52 15.684 26.325 -15.843 328 HB2 SER 52 HB2 SER 52 14.599 25.255 -17.918 329 HB3 SER 52 HB3 SER 52 15.437 24.188 -16.793 330 HG SER 52 HG SER 52 13.496 23.242 -17.224 Start of MODEL 3 1 HA ASN 1 HA ASN 1 1.408 8.216 2.997 2 HB2 ASN 1 HB2 ASN 1 2.083 10.914 1.796 3 HB3 ASN 1 HB3 ASN 1 2.416 9.372 1.013 4 HD21 ASN 1 HD21 ASN 1 -0.039 11.643 1.965 5 HD22 ASN 1 HD22 ASN 1 -1.317 10.950 1.033 6 H GLU 2 H GLU 2 3.070 7.097 3.729 7 HA GLU 2 HA GLU 2 5.379 8.291 4.934 8 HB2 GLU 2 HB2 GLU 2 4.942 5.439 4.024 9 HB3 GLU 2 HB3 GLU 2 6.224 5.991 5.082 10 HG2 GLU 2 HG2 GLU 2 3.281 5.957 5.675 11 HG3 GLU 2 HG3 GLU 2 4.511 4.899 6.357 12 H LEU 3 H LEU 3 4.485 7.180 1.809 13 HA LEU 3 HA LEU 3 7.154 6.938 0.779 14 HB2 LEU 3 HB2 LEU 3 5.094 5.615 0.092 15 HB3 LEU 3 HB3 LEU 3 4.577 7.051 -0.762 16 HG LEU 3 HG LEU 3 6.524 6.919 -2.221 17 HD11 LEU 3 HD11 LEU 3 7.995 4.945 -2.110 18 HD12 LEU 3 HD12 LEU 3 7.214 4.472 -0.599 19 HD13 LEU 3 HD13 LEU 3 8.135 5.974 -0.687 20 HD21 LEU 3 HD21 LEU 3 5.074 4.288 -1.976 21 HD22 LEU 3 HD22 LEU 3 5.921 4.881 -3.405 22 HD23 LEU 3 HD23 LEU 3 4.479 5.714 -2.824 23 H ARG 4 H ARG 4 8.324 8.460 -0.222 24 HA ARG 4 HA ARG 4 6.985 10.895 -1.156 25 HB2 ARG 4 HB2 ARG 4 8.710 12.333 -0.251 26 HB3 ARG 4 HB3 ARG 4 8.010 11.390 1.052 27 HG2 ARG 4 HG2 ARG 4 10.510 10.445 -0.284 28 HG3 ARG 4 HG3 ARG 4 10.582 11.735 0.916 29 HD2 ARG 4 HD2 ARG 4 9.325 9.034 1.384 30 HD3 ARG 4 HD3 ARG 4 10.973 9.459 1.847 31 HE ARG 4 HE ARG 4 8.958 11.241 2.876 32 HH11 ARG 4 HH11 ARG 4 10.763 8.288 3.467 33 HH12 ARG 4 HH12 ARG 4 10.521 8.338 5.180 34 HH21 ARG 4 HH21 ARG 4 8.660 11.303 5.164 35 HH22 ARG 4 HH22 ARG 4 9.331 10.039 6.139 36 H CYS 5 H CYS 5 8.496 12.200 -2.595 37 HA CYS 5 HA CYS 5 9.461 10.438 -4.620 38 HB2 CYS 5 HB2 CYS 5 8.372 12.839 -4.787 39 HB3 CYS 5 HB3 CYS 5 10.041 13.374 -4.654 40 H GLY 6 H GLY 6 11.542 10.171 -5.352 41 HA2 GLY 6 HA2 GLY 6 13.589 10.062 -3.397 42 HA3 GLY 6 HA3 GLY 6 13.804 9.838 -5.129 43 H CYS 7 H CYS 7 12.735 12.462 -5.727 44 HA CYS 7 HA CYS 7 15.061 13.965 -5.753 45 HB2 CYS 7 HB2 CYS 7 12.280 14.319 -6.492 46 HB3 CYS 7 HB3 CYS 7 12.983 15.817 -5.894 47 HA PRO 8 HA PRO 8 14.963 15.257 -1.456 48 HB2 PRO 8 HB2 PRO 8 17.458 16.250 -1.389 49 HB3 PRO 8 HB3 PRO 8 17.137 14.513 -1.388 50 HG2 PRO 8 HG2 PRO 8 17.976 16.282 -3.647 51 HG3 PRO 8 HG3 PRO 8 18.523 14.646 -3.244 52 HD2 PRO 8 HD2 PRO 8 16.659 15.204 -5.178 53 HD3 PRO 8 HD3 PRO 8 16.742 13.659 -4.304 54 H ASP 9 H ASP 9 15.723 17.260 -4.239 55 HA ASP 9 HA ASP 9 15.514 19.697 -2.667 56 HB2 ASP 9 HB2 ASP 9 16.113 20.844 -4.785 57 HB3 ASP 9 HB3 ASP 9 17.295 19.636 -4.303 58 H CYS 10 H CYS 10 13.434 17.639 -4.101 59 HA CYS 10 HA CYS 10 11.401 19.730 -4.364 60 HB2 CYS 10 HB2 CYS 10 12.140 19.002 -6.610 61 HB3 CYS 10 HB3 CYS 10 11.735 17.343 -6.188 62 H HIS 11 H HIS 11 9.294 19.060 -3.698 63 HA HIS 11 HA HIS 11 9.281 16.437 -2.374 64 HB2 HIS 11 HB2 HIS 11 9.338 18.200 -0.681 65 HB3 HIS 11 HB3 HIS 11 7.912 18.949 -1.391 66 HD2 HIS 11 HD2 HIS 11 5.625 18.187 -0.135 67 HE1 HIS 11 HE1 HIS 11 6.982 14.501 1.442 68 HE2 HIS 11 HE2 HIS 11 5.009 16.029 1.124 69 H CYS 12 H CYS 12 8.266 15.273 -3.906 70 HA CYS 12 HA CYS 12 5.579 16.134 -4.727 71 HB2 CYS 12 HB2 CYS 12 6.971 13.710 -5.812 72 HB3 CYS 12 HB3 CYS 12 5.778 14.739 -6.584 73 H LYS 13 H LYS 13 3.826 15.120 -3.759 74 HA LYS 13 HA LYS 13 4.173 13.094 -1.900 75 HB2 LYS 13 HB2 LYS 13 2.292 14.852 -2.233 76 HB3 LYS 13 HB3 LYS 13 1.604 13.643 -3.312 77 HG2 LYS 13 HG2 LYS 13 2.341 12.238 -1.121 78 HG3 LYS 13 HG3 LYS 13 1.731 13.754 -0.466 79 HD2 LYS 13 HD2 LYS 13 -0.138 12.230 -0.600 80 HD3 LYS 13 HD3 LYS 13 -0.331 13.435 -1.874 81 HE2 LYS 13 HE2 LYS 13 0.542 11.869 -3.522 82 HE3 LYS 13 HE3 LYS 13 0.851 10.680 -2.259 83 HZ1 LYS 13 HZ1 LYS 13 -1.806 11.690 -3.121 84 HZ2 LYS 13 HZ2 LYS 13 -1.555 10.640 -1.829 85 HZ3 LYS 13 HZ3 LYS 13 -1.185 10.142 -3.396 86 H VAL 14 H VAL 14 4.938 11.187 -2.596 87 HA VAL 14 HA VAL 14 4.042 10.099 -5.118 88 HB VAL 14 HB VAL 14 5.979 9.027 -3.073 89 HG11 VAL 14 HG11 VAL 14 5.326 7.996 -5.826 90 HG12 VAL 14 HG12 VAL 14 4.902 7.220 -4.298 91 HG13 VAL 14 HG13 VAL 14 6.595 7.387 -4.760 92 HG21 VAL 14 HG21 VAL 14 6.780 11.001 -4.200 93 HG22 VAL 14 HG22 VAL 14 6.378 10.295 -5.765 94 HG23 VAL 14 HG23 VAL 14 7.649 9.579 -4.776 95 H ASP 15 H ASP 15 2.472 8.714 -5.324 96 HA ASP 15 HA ASP 15 1.126 7.785 -2.921 97 HB2 ASP 15 HB2 ASP 15 0.014 8.877 -4.996 98 HB3 ASP 15 HB3 ASP 15 0.175 7.281 -5.710 99 HA PRO 16 HA PRO 16 3.040 3.793 -3.162 100 HB2 PRO 16 HB2 PRO 16 1.086 2.430 -1.759 101 HB3 PRO 16 HB3 PRO 16 2.404 3.341 -1.014 102 HG2 PRO 16 HG2 PRO 16 -0.431 4.162 -1.498 103 HG3 PRO 16 HG3 PRO 16 0.600 4.463 -0.085 104 HD2 PRO 16 HD2 PRO 16 0.133 6.366 -1.906 105 HD3 PRO 16 HD3 PRO 16 1.721 6.209 -1.123 106 H GLU 17 H GLU 17 -0.176 4.497 -4.245 107 HA GLU 17 HA GLU 17 -0.545 1.935 -5.508 108 HB2 GLU 17 HB2 GLU 17 -2.466 3.168 -4.639 109 HB3 GLU 17 HB3 GLU 17 -2.108 4.512 -5.712 110 HG2 GLU 17 HG2 GLU 17 -2.484 2.970 -7.635 111 HG3 GLU 17 HG3 GLU 17 -3.033 1.758 -6.478 112 H ARG 18 H ARG 18 0.725 5.064 -6.350 113 HA ARG 18 HA ARG 18 1.191 4.149 -9.095 114 HB2 ARG 18 HB2 ARG 18 0.145 6.889 -8.394 115 HB3 ARG 18 HB3 ARG 18 0.512 6.289 -10.005 116 HG2 ARG 18 HG2 ARG 18 -1.296 4.766 -9.946 117 HG3 ARG 18 HG3 ARG 18 -1.556 5.048 -8.224 118 HD2 ARG 18 HD2 ARG 18 -2.042 7.416 -8.782 119 HD3 ARG 18 HD3 ARG 18 -2.001 6.958 -10.487 120 HE ARG 18 HE ARG 18 -3.774 5.353 -8.864 121 HH11 ARG 18 HH11 ARG 18 -3.541 8.262 -10.828 122 HH12 ARG 18 HH12 ARG 18 -5.239 8.328 -11.142 123 HH21 ARG 18 HH21 ARG 18 -5.999 5.443 -9.289 124 HH22 ARG 18 HH22 ARG 18 -6.652 6.714 -10.262 125 H VAL 19 H VAL 19 3.206 3.806 -8.061 126 HA VAL 19 HA VAL 19 4.844 6.242 -7.904 127 HB VAL 19 HB VAL 19 4.764 5.542 -5.676 128 HG11 VAL 19 HG11 VAL 19 5.082 3.211 -4.944 129 HG12 VAL 19 HG12 VAL 19 5.113 2.708 -6.637 130 HG13 VAL 19 HG13 VAL 19 3.653 3.432 -5.953 131 HG21 VAL 19 HG21 VAL 19 7.050 5.931 -6.331 132 HG22 VAL 19 HG22 VAL 19 7.214 4.261 -6.871 133 HG23 VAL 19 HG23 VAL 19 6.992 4.614 -5.158 134 H PHE 20 H PHE 20 6.758 6.266 -8.954 135 HA PHE 20 HA PHE 20 7.420 3.945 -10.590 136 HB2 PHE 20 HB2 PHE 20 8.189 6.840 -10.670 137 HB3 PHE 20 HB3 PHE 20 9.183 5.645 -11.491 138 HD1 PHE 20 HD1 PHE 20 6.299 7.694 -11.667 139 HD2 PHE 20 HD2 PHE 20 8.027 4.144 -13.208 140 HE1 PHE 20 HE1 PHE 20 4.761 7.793 -13.589 141 HE2 PHE 20 HE2 PHE 20 6.505 4.228 -15.136 142 HZ PHE 20 HZ PHE 20 4.870 6.054 -15.330 143 H ASN 21 H ASN 21 9.255 2.769 -10.280 144 HA ASN 21 HA ASN 21 10.881 3.566 -7.973 145 HB2 ASN 21 HB2 ASN 21 11.503 1.194 -7.723 146 HB3 ASN 21 HB3 ASN 21 9.763 1.421 -7.609 147 HD21 ASN 21 HD21 ASN 21 12.380 0.172 -9.541 148 HD22 ASN 21 HD22 ASN 21 11.399 -0.796 -10.586 149 H HIS 22 H HIS 22 12.974 3.890 -8.194 150 HA HIS 22 HA HIS 22 14.350 2.915 -10.545 151 HB2 HIS 22 HB2 HIS 22 13.419 5.075 -11.282 152 HB3 HIS 22 HB3 HIS 22 14.164 5.878 -9.913 153 HD2 HIS 22 HD2 HIS 22 17.070 5.944 -10.090 154 HE1 HIS 22 HE1 HIS 22 17.022 5.486 -14.307 155 HE2 HIS 22 HE2 HIS 22 18.456 5.838 -12.276 156 H ASP 23 H ASP 23 16.145 2.055 -9.811 157 HA ASP 23 HA ASP 23 18.033 1.630 -8.626 158 HB2 ASP 23 HB2 ASP 23 18.526 4.042 -9.280 159 HB3 ASP 23 HB3 ASP 23 17.945 4.511 -7.687 160 H GLY 24 H GLY 24 15.350 1.381 -7.450 161 HA2 GLY 24 HA2 GLY 24 14.683 0.380 -5.451 162 HA3 GLY 24 HA3 GLY 24 16.198 0.888 -4.717 163 H GLU 25 H GLU 25 15.191 3.596 -6.113 164 HA GLU 25 HA GLU 25 13.915 4.516 -3.652 165 HB2 GLU 25 HB2 GLU 25 16.009 5.608 -4.675 166 HB3 GLU 25 HB3 GLU 25 14.917 6.228 -5.903 167 HG2 GLU 25 HG2 GLU 25 13.822 7.622 -4.426 168 HG3 GLU 25 HG3 GLU 25 14.366 6.716 -3.014 169 H ALA 26 H ALA 26 12.089 5.946 -3.810 170 HA ALA 26 HA ALA 26 10.309 5.140 -5.997 171 HB1 ALA 26 HB1 ALA 26 9.655 6.277 -3.284 172 HB2 ALA 26 HB2 ALA 26 9.553 4.579 -3.752 173 HB3 ALA 26 HB3 ALA 26 8.484 5.766 -4.497 174 H TYR 27 H TYR 27 9.129 6.638 -7.156 175 HA TYR 27 HA TYR 27 9.665 9.472 -6.668 176 HB2 TYR 27 HB2 TYR 27 10.130 8.078 -9.307 177 HB3 TYR 27 HB3 TYR 27 10.130 9.821 -9.081 178 HD1 TYR 27 HD1 TYR 27 12.036 6.748 -8.753 179 HD2 TYR 27 HD2 TYR 27 11.940 10.885 -7.733 180 HE1 TYR 27 HE1 TYR 27 14.435 6.682 -8.233 181 HE2 TYR 27 HE2 TYR 27 14.338 10.811 -7.228 182 HH TYR 27 HH TYR 27 15.986 8.936 -6.467 183 H CYS 28 H CYS 28 8.170 10.887 -7.682 184 HA CYS 28 HA CYS 28 5.495 9.891 -7.746 185 HB2 CYS 28 HB2 CYS 28 4.861 12.164 -8.332 186 HB3 CYS 28 HB3 CYS 28 6.097 12.211 -7.081 187 H SER 29 H SER 29 7.765 10.948 -10.182 188 HA SER 29 HA SER 29 6.253 9.562 -12.249 189 HB2 SER 29 HB2 SER 29 5.577 11.960 -12.280 190 HB3 SER 29 HB3 SER 29 7.271 12.405 -12.478 191 HG SER 29 HG SER 29 5.687 12.064 -14.392 192 H GLN 30 H GLN 30 7.675 9.559 -14.302 193 HA GLN 30 HA GLN 30 10.173 8.490 -13.521 194 HB2 GLN 30 HB2 GLN 30 10.604 8.222 -15.973 195 HB3 GLN 30 HB3 GLN 30 9.158 7.435 -15.370 196 HG2 GLN 30 HG2 GLN 30 8.900 10.147 -16.511 197 HG3 GLN 30 HG3 GLN 30 9.180 8.805 -17.623 198 HE21 GLN 30 HE21 GLN 30 6.930 10.436 -15.621 199 HE22 GLN 30 HE22 GLN 30 5.573 9.413 -15.936 200 H ALA 31 H ALA 31 9.193 11.655 -14.223 201 HA ALA 31 HA ALA 31 11.523 12.770 -15.325 202 HB1 ALA 31 HB1 ALA 31 9.422 14.009 -15.172 203 HB2 ALA 31 HB2 ALA 31 10.730 14.902 -14.397 204 HB3 ALA 31 HB3 ALA 31 9.554 14.030 -13.415 205 H CYS 32 H CYS 32 10.556 12.824 -11.874 206 HA CYS 32 HA CYS 32 13.121 13.609 -10.977 207 HB2 CYS 32 HB2 CYS 32 10.930 12.205 -9.407 208 HB3 CYS 32 HB3 CYS 32 12.277 13.111 -8.718 209 H ALA 33 H ALA 33 11.693 10.569 -11.739 210 HA ALA 33 HA ALA 33 13.353 8.838 -10.256 211 HB1 ALA 33 HB1 ALA 33 12.001 8.214 -12.870 212 HB2 ALA 33 HB2 ALA 33 11.190 8.198 -11.304 213 HB3 ALA 33 HB3 ALA 33 12.506 7.068 -11.629 214 H GLU 34 H GLU 34 13.510 9.806 -13.644 215 HA GLU 34 HA GLU 34 16.054 8.474 -13.970 216 HB2 GLU 34 HB2 GLU 34 14.426 10.125 -15.901 217 HB3 GLU 34 HB3 GLU 34 15.921 9.299 -16.313 218 HG2 GLU 34 HG2 GLU 34 14.838 7.153 -15.680 219 HG3 GLU 34 HG3 GLU 34 13.330 8.037 -15.447 220 H GLN 35 H GLN 35 15.486 11.065 -12.321 221 HA GLN 35 HA GLN 35 16.768 12.785 -11.590 222 HB2 GLN 35 HB2 GLN 35 18.851 11.620 -13.453 223 HB3 GLN 35 HB3 GLN 35 19.159 12.878 -12.264 224 HG2 GLN 35 HG2 GLN 35 18.765 11.402 -10.462 225 HG3 GLN 35 HG3 GLN 35 18.081 10.175 -11.526 226 HE21 GLN 35 HE21 GLN 35 20.303 10.036 -9.627 227 HE22 GLN 35 HE22 GLN 35 21.662 9.492 -10.540 228 H HIS 36 H HIS 36 15.111 12.859 -14.056 229 HA HIS 36 HA HIS 36 14.460 14.294 -15.674 230 HB2 HIS 36 HB2 HIS 36 16.166 16.335 -14.220 231 HB3 HIS 36 HB3 HIS 36 14.835 16.672 -15.321 232 HD1 HIS 36 HD1 HIS 36 12.598 17.019 -14.226 233 HD2 HIS 36 HD2 HIS 36 15.226 14.901 -11.804 234 HE1 HIS 36 HE1 HIS 36 11.423 16.738 -12.027 235 HA PRO 37 HA PRO 37 18.330 13.596 -18.060 236 HB2 PRO 37 HB2 PRO 37 17.104 12.471 -20.201 237 HB3 PRO 37 HB3 PRO 37 17.532 11.555 -18.753 238 HG2 PRO 37 HG2 PRO 37 14.893 12.740 -19.528 239 HG3 PRO 37 HG3 PRO 37 15.241 11.130 -18.864 240 HD2 PRO 37 HD2 PRO 37 14.320 13.147 -17.332 241 HD3 PRO 37 HD3 PRO 37 15.454 11.931 -16.706 242 H ASN 38 H ASN 38 15.318 15.178 -18.847 243 HA ASN 38 HA ASN 38 16.736 16.785 -20.888 244 HB2 ASN 38 HB2 ASN 38 14.811 15.523 -21.768 245 HB3 ASN 38 HB3 ASN 38 13.765 16.331 -20.603 246 HD21 ASN 38 HD21 ASN 38 15.921 16.858 -23.306 247 HD22 ASN 38 HD22 ASN 38 15.192 18.326 -23.835 248 H GLY 39 H GLY 39 15.140 16.789 -17.877 249 HA2 GLY 39 HA2 GLY 39 15.408 18.615 -16.352 250 HA3 GLY 39 HA3 GLY 39 15.445 19.712 -17.730 251 H GLU 40 H GLU 40 13.218 17.142 -17.745 252 HA GLU 40 HA GLU 40 11.004 18.885 -18.012 253 HB2 GLU 40 HB2 GLU 40 9.672 16.740 -17.976 254 HB3 GLU 40 HB3 GLU 40 10.900 16.851 -19.225 255 HG2 GLU 40 HG2 GLU 40 11.462 15.460 -16.628 256 HG3 GLU 40 HG3 GLU 40 10.605 14.642 -17.931 257 HA PRO 41 HA PRO 41 10.220 19.341 -13.620 258 HB2 PRO 41 HB2 PRO 41 7.699 20.552 -14.567 259 HB3 PRO 41 HB3 PRO 41 8.970 21.258 -13.563 260 HG2 PRO 41 HG2 PRO 41 8.611 22.027 -16.103 261 HG3 PRO 41 HG3 PRO 41 10.228 21.917 -15.386 262 HD2 PRO 41 HD2 PRO 41 8.842 20.015 -17.235 263 HD3 PRO 41 HD3 PRO 41 10.535 20.556 -17.224 264 H CYS 42 H CYS 42 9.135 18.060 -12.228 265 HA CYS 42 HA CYS 42 7.596 15.889 -13.204 266 HB2 CYS 42 HB2 CYS 42 7.334 15.427 -10.733 267 HB3 CYS 42 HB3 CYS 42 8.996 15.574 -11.297 268 HA PRO 43 HA PRO 43 3.492 17.560 -12.810 269 HB2 PRO 43 HB2 PRO 43 2.023 15.429 -12.120 270 HB3 PRO 43 HB3 PRO 43 2.829 15.521 -13.691 271 HG2 PRO 43 HG2 PRO 43 3.667 14.067 -11.214 272 HG3 PRO 43 HG3 PRO 43 3.697 13.517 -12.899 273 HD2 PRO 43 HD2 PRO 43 5.886 14.475 -11.575 274 HD3 PRO 43 HD3 PRO 43 5.683 14.570 -13.333 275 H ALA 44 H ALA 44 5.175 17.776 -10.356 276 HA ALA 44 HA ALA 44 3.238 17.408 -8.216 277 HB1 ALA 44 HB1 ALA 44 5.561 16.740 -7.808 278 HB2 ALA 44 HB2 ALA 44 5.065 18.036 -6.721 279 HB3 ALA 44 HB3 ALA 44 6.088 18.394 -8.112 280 HA PRO 45 HA PRO 45 1.721 21.569 -8.629 281 HB2 PRO 45 HB2 PRO 45 0.760 21.830 -6.071 282 HB3 PRO 45 HB3 PRO 45 -0.099 20.974 -7.360 283 HG2 PRO 45 HG2 PRO 45 1.665 19.883 -5.199 284 HG3 PRO 45 HG3 PRO 45 0.091 19.276 -5.758 285 HD2 PRO 45 HD2 PRO 45 2.354 18.114 -6.528 286 HD3 PRO 45 HD3 PRO 45 1.019 18.335 -7.682 287 H ASP 46 H ASP 46 3.778 20.600 -5.980 288 HA ASP 46 HA ASP 46 4.667 23.384 -5.680 289 HB2 ASP 46 HB2 ASP 46 4.529 21.153 -3.670 290 HB3 ASP 46 HB3 ASP 46 5.410 22.650 -3.377 291 H CYS 47 H CYS 47 5.606 21.454 -7.611 292 HA CYS 47 HA CYS 47 8.010 20.227 -7.012 293 HB2 CYS 47 HB2 CYS 47 7.198 19.838 -9.172 294 HB3 CYS 47 HB3 CYS 47 6.997 21.555 -9.505 295 H HIS 48 H HIS 48 10.121 20.847 -6.897 296 HA HIS 48 HA HIS 48 10.777 23.632 -7.394 297 HB2 HIS 48 HB2 HIS 48 10.099 23.197 -4.910 298 HB3 HIS 48 HB3 HIS 48 11.702 22.474 -4.793 299 HD1 HIS 48 HD1 HIS 48 13.756 24.086 -5.001 300 HD2 HIS 48 HD2 HIS 48 10.048 25.965 -5.185 301 HE1 HIS 48 HE1 HIS 48 14.217 26.528 -4.719 302 HE2 HIS 48 HE2 HIS 48 11.955 27.625 -4.682 303 H CYS 49 H CYS 49 11.417 20.879 -8.487 304 HA CYS 49 HA CYS 49 14.021 20.121 -7.947 305 HB2 CYS 49 HB2 CYS 49 12.702 20.192 -10.672 306 HB3 CYS 49 HB3 CYS 49 14.103 19.226 -10.230 307 H GLU 50 H GLU 50 15.750 21.281 -7.889 308 HA GLU 50 HA GLU 50 15.996 23.590 -9.703 309 HB2 GLU 50 HB2 GLU 50 17.404 24.588 -7.862 310 HB3 GLU 50 HB3 GLU 50 15.687 24.435 -7.517 311 HG2 GLU 50 HG2 GLU 50 16.327 22.214 -6.394 312 HG3 GLU 50 HG3 GLU 50 17.972 22.843 -6.426 313 H ARG 51 H ARG 51 17.540 20.805 -8.324 314 HA ARG 51 HA ARG 51 20.036 21.477 -9.668 315 HB2 ARG 51 HB2 ARG 51 20.910 19.386 -8.595 316 HB3 ARG 51 HB3 ARG 51 20.349 20.595 -7.455 317 HG2 ARG 51 HG2 ARG 51 19.546 18.608 -6.583 318 HG3 ARG 51 HG3 ARG 51 18.153 19.262 -7.443 319 HD2 ARG 51 HD2 ARG 51 18.900 17.838 -9.409 320 HD3 ARG 51 HD3 ARG 51 19.990 17.041 -8.278 321 HE ARG 51 HE ARG 51 17.172 17.164 -7.550 322 HH11 ARG 51 HH11 ARG 51 19.878 15.267 -8.757 323 HH12 ARG 51 HH12 ARG 51 19.054 13.756 -8.581 324 HH21 ARG 51 HH21 ARG 51 16.078 15.160 -7.376 325 HH22 ARG 51 HH22 ARG 51 16.901 13.690 -7.789 326 H SER 52 H SER 52 20.995 20.100 -11.215 327 HA SER 52 HA SER 52 19.474 17.931 -12.348 328 HB2 SER 52 HB2 SER 52 19.940 20.443 -13.977 329 HB3 SER 52 HB3 SER 52 19.320 18.920 -14.614 330 HG SER 52 HG SER 52 17.879 19.647 -12.471 Start of MODEL 4 1 HA ASN 1 HA ASN 1 1.484 10.919 3.500 2 HB2 ASN 1 HB2 ASN 1 2.808 11.173 0.793 3 HB3 ASN 1 HB3 ASN 1 2.056 9.687 1.361 4 HD21 ASN 1 HD21 ASN 1 1.531 12.904 0.213 5 HD22 ASN 1 HD22 ASN 1 -0.177 12.768 -0.005 6 H GLU 2 H GLU 2 2.549 8.689 3.265 7 HA GLU 2 HA GLU 2 4.951 8.729 4.812 8 HB2 GLU 2 HB2 GLU 2 3.341 7.009 5.266 9 HB3 GLU 2 HB3 GLU 2 3.365 6.475 3.591 10 HG2 GLU 2 HG2 GLU 2 5.672 5.742 3.846 11 HG3 GLU 2 HG3 GLU 2 5.668 6.295 5.518 12 H LEU 3 H LEU 3 4.102 7.863 1.515 13 HA LEU 3 HA LEU 3 6.883 7.266 0.910 14 HB2 LEU 3 HB2 LEU 3 4.927 5.833 0.162 15 HB3 LEU 3 HB3 LEU 3 4.505 7.132 -0.934 16 HG LEU 3 HG LEU 3 6.660 6.852 -2.089 17 HD11 LEU 3 HD11 LEU 3 7.999 6.027 -0.245 18 HD12 LEU 3 HD12 LEU 3 8.042 4.884 -1.585 19 HD13 LEU 3 HD13 LEU 3 7.036 4.553 -0.175 20 HD21 LEU 3 HD21 LEU 3 6.155 4.700 -3.131 21 HD22 LEU 3 HD22 LEU 3 4.690 5.650 -2.877 22 HD23 LEU 3 HD23 LEU 3 5.069 4.307 -1.798 23 H ARG 4 H ARG 4 8.161 8.881 0.282 24 HA ARG 4 HA ARG 4 6.922 11.197 -1.050 25 HB2 ARG 4 HB2 ARG 4 9.570 11.106 0.415 26 HB3 ARG 4 HB3 ARG 4 8.840 12.524 -0.313 27 HG2 ARG 4 HG2 ARG 4 8.317 12.840 1.888 28 HG3 ARG 4 HG3 ARG 4 6.878 11.985 1.332 29 HD2 ARG 4 HD2 ARG 4 7.707 11.100 3.465 30 HD3 ARG 4 HD3 ARG 4 7.760 9.892 2.180 31 HE ARG 4 HE ARG 4 10.210 11.379 2.596 32 HH11 ARG 4 HH11 ARG 4 8.391 8.475 3.377 33 HH12 ARG 4 HH12 ARG 4 9.802 7.586 3.851 34 HH21 ARG 4 HH21 ARG 4 12.057 10.196 3.236 35 HH22 ARG 4 HH22 ARG 4 11.879 8.561 3.784 36 H CYS 5 H CYS 5 8.329 12.307 -2.630 37 HA CYS 5 HA CYS 5 9.331 10.438 -4.528 38 HB2 CYS 5 HB2 CYS 5 8.190 12.634 -5.075 39 HB3 CYS 5 HB3 CYS 5 9.673 13.441 -4.579 40 H GLY 6 H GLY 6 11.433 10.140 -5.211 41 HA2 GLY 6 HA2 GLY 6 13.432 10.284 -3.153 42 HA3 GLY 6 HA3 GLY 6 13.614 9.659 -4.785 43 H CYS 7 H CYS 7 12.474 12.410 -5.522 44 HA CYS 7 HA CYS 7 14.910 13.505 -6.280 45 HB2 CYS 7 HB2 CYS 7 12.353 13.989 -6.970 46 HB3 CYS 7 HB3 CYS 7 12.663 15.383 -5.941 47 HA PRO 8 HA PRO 8 16.233 14.920 -2.279 48 HB2 PRO 8 HB2 PRO 8 18.348 16.423 -3.319 49 HB3 PRO 8 HB3 PRO 8 18.426 14.729 -2.828 50 HG2 PRO 8 HG2 PRO 8 18.112 15.904 -5.543 51 HG3 PRO 8 HG3 PRO 8 18.960 14.431 -5.045 52 HD2 PRO 8 HD2 PRO 8 16.568 14.376 -6.269 53 HD3 PRO 8 HD3 PRO 8 17.010 13.161 -5.049 54 H ASP 9 H ASP 9 15.608 17.056 -4.982 55 HA ASP 9 HA ASP 9 15.408 19.315 -3.125 56 HB2 ASP 9 HB2 ASP 9 15.461 19.190 -6.129 57 HB3 ASP 9 HB3 ASP 9 15.086 20.659 -5.239 58 H CYS 10 H CYS 10 13.434 16.987 -4.486 59 HA CYS 10 HA CYS 10 11.122 18.745 -4.117 60 HB2 CYS 10 HB2 CYS 10 11.973 18.448 -6.590 61 HB3 CYS 10 HB3 CYS 10 11.143 16.903 -6.470 62 H HIS 11 H HIS 11 9.775 17.813 -2.772 63 HA HIS 11 HA HIS 11 9.610 14.883 -2.773 64 HB2 HIS 11 HB2 HIS 11 8.948 16.835 -0.549 65 HB3 HIS 11 HB3 HIS 11 8.679 15.097 -0.470 66 HD2 HIS 11 HD2 HIS 11 11.151 13.559 -0.536 67 HE1 HIS 11 HE1 HIS 11 13.482 16.830 0.814 68 HE2 HIS 11 HE2 HIS 11 13.310 14.333 0.652 69 H CYS 12 H CYS 12 8.166 14.580 -4.264 70 HA CYS 12 HA CYS 12 5.851 16.269 -4.518 71 HB2 CYS 12 HB2 CYS 12 6.449 13.853 -6.147 72 HB3 CYS 12 HB3 CYS 12 5.654 15.347 -6.629 73 H LYS 13 H LYS 13 3.806 15.146 -5.113 74 HA LYS 13 HA LYS 13 2.992 13.372 -3.059 75 HB2 LYS 13 HB2 LYS 13 0.846 13.344 -4.633 76 HB3 LYS 13 HB3 LYS 13 1.217 14.691 -3.577 77 HG2 LYS 13 HG2 LYS 13 0.585 15.630 -5.636 78 HG3 LYS 13 HG3 LYS 13 2.331 15.799 -5.542 79 HD2 LYS 13 HD2 LYS 13 1.699 15.117 -7.780 80 HD3 LYS 13 HD3 LYS 13 2.565 13.801 -6.988 81 HE2 LYS 13 HE2 LYS 13 0.661 12.913 -8.178 82 HE3 LYS 13 HE3 LYS 13 0.398 12.738 -6.449 83 HZ1 LYS 13 HZ1 LYS 13 -0.938 14.826 -6.572 84 HZ2 LYS 13 HZ2 LYS 13 -1.602 13.524 -7.404 85 HZ3 LYS 13 HZ3 LYS 13 -0.816 14.754 -8.256 86 H VAL 14 H VAL 14 3.439 11.333 -3.048 87 HA VAL 14 HA VAL 14 3.672 9.941 -5.620 88 HB VAL 14 HB VAL 14 4.901 9.165 -2.965 89 HG11 VAL 14 HG11 VAL 14 6.127 7.494 -4.254 90 HG12 VAL 14 HG12 VAL 14 5.266 7.982 -5.714 91 HG13 VAL 14 HG13 VAL 14 4.386 7.239 -4.379 92 HG21 VAL 14 HG21 VAL 14 6.162 10.330 -5.442 93 HG22 VAL 14 HG22 VAL 14 7.030 9.778 -4.011 94 HG23 VAL 14 HG23 VAL 14 5.937 11.159 -3.902 95 H ASP 15 H ASP 15 2.460 8.202 -6.036 96 HA ASP 15 HA ASP 15 0.314 7.600 -4.173 97 HB2 ASP 15 HB2 ASP 15 -0.003 7.998 -6.705 98 HB3 ASP 15 HB3 ASP 15 0.753 6.429 -6.906 99 HA PRO 16 HA PRO 16 2.470 4.015 -2.674 100 HB2 PRO 16 HB2 PRO 16 0.257 2.601 -1.829 101 HB3 PRO 16 HB3 PRO 16 1.032 3.886 -0.895 102 HG2 PRO 16 HG2 PRO 16 -1.388 4.007 -2.646 103 HG3 PRO 16 HG3 PRO 16 -1.109 4.767 -1.068 104 HD2 PRO 16 HD2 PRO 16 -0.933 6.160 -3.347 105 HD3 PRO 16 HD3 PRO 16 0.157 6.481 -1.980 106 H GLU 17 H GLU 17 -0.136 3.851 -4.998 107 HA GLU 17 HA GLU 17 0.644 1.135 -5.761 108 HB2 GLU 17 HB2 GLU 17 -1.718 1.497 -5.282 109 HB3 GLU 17 HB3 GLU 17 -1.770 2.817 -6.437 110 HG2 GLU 17 HG2 GLU 17 -1.199 1.167 -8.215 111 HG3 GLU 17 HG3 GLU 17 -1.395 -0.103 -7.006 112 H ARG 18 H ARG 18 0.711 4.443 -6.679 113 HA ARG 18 HA ARG 18 1.735 3.690 -9.316 114 HB2 ARG 18 HB2 ARG 18 0.032 6.101 -8.648 115 HB3 ARG 18 HB3 ARG 18 0.882 5.894 -10.173 116 HG2 ARG 18 HG2 ARG 18 -1.174 5.074 -10.753 117 HG3 ARG 18 HG3 ARG 18 -0.369 3.614 -10.172 118 HD2 ARG 18 HD2 ARG 18 -2.386 3.462 -9.098 119 HD3 ARG 18 HD3 ARG 18 -1.368 4.250 -7.893 120 HE ARG 18 HE ARG 18 -2.414 6.377 -8.951 121 HH11 ARG 18 HH11 ARG 18 -4.041 3.308 -8.373 122 HH12 ARG 18 HH12 ARG 18 -5.580 4.040 -8.089 123 HH21 ARG 18 HH21 ARG 18 -4.463 7.332 -8.589 124 HH22 ARG 18 HH22 ARG 18 -5.828 6.336 -8.226 125 H VAL 19 H VAL 19 3.606 3.560 -7.902 126 HA VAL 19 HA VAL 19 4.972 6.150 -7.732 127 HB VAL 19 HB VAL 19 4.872 5.281 -5.531 128 HG11 VAL 19 HG11 VAL 19 5.783 2.625 -6.635 129 HG12 VAL 19 HG12 VAL 19 4.167 3.014 -6.046 130 HG13 VAL 19 HG13 VAL 19 5.533 2.994 -4.929 131 HG21 VAL 19 HG21 VAL 19 7.543 4.541 -6.711 132 HG22 VAL 19 HG22 VAL 19 7.213 4.717 -4.989 133 HG23 VAL 19 HG23 VAL 19 7.068 6.112 -6.060 134 H PHE 20 H PHE 20 6.720 6.453 -8.963 135 HA PHE 20 HA PHE 20 7.619 4.383 -10.740 136 HB2 PHE 20 HB2 PHE 20 7.509 7.109 -10.877 137 HB3 PHE 20 HB3 PHE 20 9.204 6.848 -10.482 138 HD1 PHE 20 HD1 PHE 20 6.700 6.748 -12.971 139 HD2 PHE 20 HD2 PHE 20 10.578 5.363 -11.979 140 HE1 PHE 20 HE1 PHE 20 7.121 6.247 -15.352 141 HE2 PHE 20 HE2 PHE 20 11.021 4.856 -14.346 142 HZ PHE 20 HZ PHE 20 9.288 5.300 -16.039 143 H ASN 21 H ASN 21 9.236 2.997 -10.264 144 HA ASN 21 HA ASN 21 10.903 3.606 -7.938 145 HB2 ASN 21 HB2 ASN 21 11.507 1.236 -7.920 146 HB3 ASN 21 HB3 ASN 21 9.760 1.427 -7.906 147 HD21 ASN 21 HD21 ASN 21 12.517 0.382 -9.731 148 HD22 ASN 21 HD22 ASN 21 11.636 -0.430 -10.978 149 H HIS 22 H HIS 22 13.048 3.858 -8.049 150 HA HIS 22 HA HIS 22 14.546 3.087 -10.368 151 HB2 HIS 22 HB2 HIS 22 13.605 5.182 -11.208 152 HB3 HIS 22 HB3 HIS 22 14.154 6.035 -9.775 153 HD2 HIS 22 HD2 HIS 22 16.950 6.582 -9.723 154 HE1 HIS 22 HE1 HIS 22 17.567 5.564 -13.792 155 HE2 HIS 22 HE2 HIS 22 18.487 6.782 -11.788 156 H ASP 23 H ASP 23 16.473 2.449 -9.674 157 HA ASP 23 HA ASP 23 18.368 2.195 -8.433 158 HB2 ASP 23 HB2 ASP 23 18.580 4.664 -8.966 159 HB3 ASP 23 HB3 ASP 23 17.843 5.004 -7.408 160 H GLY 24 H GLY 24 15.604 1.695 -7.321 161 HA2 GLY 24 HA2 GLY 24 14.970 0.556 -5.386 162 HA3 GLY 24 HA3 GLY 24 16.467 1.073 -4.621 163 H GLU 25 H GLU 25 15.197 3.756 -5.990 164 HA GLU 25 HA GLU 25 13.987 4.568 -3.454 165 HB2 GLU 25 HB2 GLU 25 15.945 5.861 -4.355 166 HB3 GLU 25 HB3 GLU 25 14.945 6.298 -5.731 167 HG2 GLU 25 HG2 GLU 25 15.111 8.064 -4.021 168 HG3 GLU 25 HG3 GLU 25 13.459 7.543 -4.351 169 H ALA 26 H ALA 26 12.155 6.012 -3.583 170 HA ALA 26 HA ALA 26 10.267 5.125 -5.654 171 HB1 ALA 26 HB1 ALA 26 9.586 4.632 -3.385 172 HB2 ALA 26 HB2 ALA 26 8.535 5.884 -4.051 173 HB3 ALA 26 HB3 ALA 26 9.814 6.317 -2.919 174 H TYR 27 H TYR 27 9.203 6.600 -6.926 175 HA TYR 27 HA TYR 27 9.732 9.454 -6.459 176 HB2 TYR 27 HB2 TYR 27 10.095 8.024 -9.095 177 HB3 TYR 27 HB3 TYR 27 10.149 9.766 -8.879 178 HD1 TYR 27 HD1 TYR 27 11.907 6.598 -8.236 179 HD2 TYR 27 HD2 TYR 27 12.109 10.835 -7.990 180 HE1 TYR 27 HE1 TYR 27 14.326 6.455 -7.852 181 HE2 TYR 27 HE2 TYR 27 14.532 10.702 -7.612 182 HH TYR 27 HH TYR 27 16.189 9.063 -6.771 183 H CYS 28 H CYS 28 8.258 10.858 -7.642 184 HA CYS 28 HA CYS 28 5.578 9.870 -7.567 185 HB2 CYS 28 HB2 CYS 28 4.969 12.124 -8.313 186 HB3 CYS 28 HB3 CYS 28 6.133 12.183 -6.994 187 H SER 29 H SER 29 7.821 10.817 -10.113 188 HA SER 29 HA SER 29 6.447 9.146 -12.018 189 HB2 SER 29 HB2 SER 29 6.661 12.144 -12.417 190 HB3 SER 29 HB3 SER 29 6.215 10.999 -13.681 191 HG SER 29 HG SER 29 4.690 10.519 -11.559 192 H GLN 30 H GLN 30 7.615 9.688 -14.287 193 HA GLN 30 HA GLN 30 10.214 8.691 -13.981 194 HB2 GLN 30 HB2 GLN 30 10.386 8.797 -16.374 195 HB3 GLN 30 HB3 GLN 30 8.778 8.249 -15.933 196 HG2 GLN 30 HG2 GLN 30 9.477 11.056 -16.753 197 HG3 GLN 30 HG3 GLN 30 8.808 9.829 -17.826 198 HE21 GLN 30 HE21 GLN 30 7.764 12.452 -17.046 199 HE22 GLN 30 HE22 GLN 30 6.194 12.148 -16.374 200 H ALA 31 H ALA 31 9.071 11.972 -14.222 201 HA ALA 31 HA ALA 31 11.318 13.267 -15.236 202 HB1 ALA 31 HB1 ALA 31 9.406 14.285 -13.135 203 HB2 ALA 31 HB2 ALA 31 9.163 14.374 -14.881 204 HB3 ALA 31 HB3 ALA 31 10.480 15.271 -14.128 205 H CYS 32 H CYS 32 10.508 12.918 -11.793 206 HA CYS 32 HA CYS 32 13.060 13.822 -10.949 207 HB2 CYS 32 HB2 CYS 32 10.909 12.344 -9.434 208 HB3 CYS 32 HB3 CYS 32 12.277 13.191 -8.718 209 H ALA 33 H ALA 33 11.700 10.738 -11.692 210 HA ALA 33 HA ALA 33 13.492 9.093 -10.244 211 HB1 ALA 33 HB1 ALA 33 11.921 8.413 -12.729 212 HB2 ALA 33 HB2 ALA 33 11.323 8.300 -11.073 213 HB3 ALA 33 HB3 ALA 33 12.647 7.263 -11.606 214 H GLU 34 H GLU 34 13.428 10.177 -13.591 215 HA GLU 34 HA GLU 34 15.910 8.858 -14.257 216 HB2 GLU 34 HB2 GLU 34 14.117 10.750 -15.773 217 HB3 GLU 34 HB3 GLU 34 15.626 10.137 -16.431 218 HG2 GLU 34 HG2 GLU 34 13.406 8.350 -15.483 219 HG3 GLU 34 HG3 GLU 34 13.536 8.935 -17.141 220 H GLN 35 H GLN 35 15.331 11.403 -12.403 221 HA GLN 35 HA GLN 35 16.539 13.114 -11.581 222 HB2 GLN 35 HB2 GLN 35 18.764 11.904 -13.230 223 HB3 GLN 35 HB3 GLN 35 18.988 13.225 -12.090 224 HG2 GLN 35 HG2 GLN 35 18.164 11.765 -10.281 225 HG3 GLN 35 HG3 GLN 35 18.035 10.443 -11.439 226 HE21 GLN 35 HE21 GLN 35 20.188 12.474 -9.641 227 HE22 GLN 35 HE22 GLN 35 21.614 11.534 -9.886 228 H HIS 36 H HIS 36 15.058 13.260 -14.106 229 HA HIS 36 HA HIS 36 14.505 14.757 -15.718 230 HB2 HIS 36 HB2 HIS 36 16.113 16.754 -14.109 231 HB3 HIS 36 HB3 HIS 36 14.803 17.103 -15.226 232 HD1 HIS 36 HD1 HIS 36 12.528 17.360 -14.179 233 HD2 HIS 36 HD2 HIS 36 15.152 15.241 -11.748 234 HE1 HIS 36 HE1 HIS 36 11.333 17.027 -11.999 235 HA PRO 37 HA PRO 37 18.673 14.323 -17.803 236 HB2 PRO 37 HB2 PRO 37 17.631 13.102 -20.033 237 HB3 PRO 37 HB3 PRO 37 18.239 12.227 -18.625 238 HG2 PRO 37 HG2 PRO 37 15.427 12.915 -19.363 239 HG3 PRO 37 HG3 PRO 37 16.069 11.414 -18.669 240 HD2 PRO 37 HD2 PRO 37 14.780 13.243 -17.169 241 HD3 PRO 37 HD3 PRO 37 16.127 12.284 -16.528 242 H ASN 38 H ASN 38 15.536 15.006 -19.355 243 HA ASN 38 HA ASN 38 16.777 17.012 -21.077 244 HB2 ASN 38 HB2 ASN 38 15.085 15.464 -22.013 245 HB3 ASN 38 HB3 ASN 38 13.887 16.139 -20.912 246 HD21 ASN 38 HD21 ASN 38 16.041 16.890 -23.554 247 HD22 ASN 38 HD22 ASN 38 15.150 18.241 -24.136 248 H GLY 39 H GLY 39 15.065 16.766 -18.128 249 HA2 GLY 39 HA2 GLY 39 15.144 18.582 -16.567 250 HA3 GLY 39 HA3 GLY 39 15.117 19.695 -17.922 251 H GLU 40 H GLU 40 12.889 17.074 -18.098 252 HA GLU 40 HA GLU 40 10.665 18.784 -18.225 253 HB2 GLU 40 HB2 GLU 40 9.284 16.800 -18.246 254 HB3 GLU 40 HB3 GLU 40 10.714 16.513 -19.226 255 HG2 GLU 40 HG2 GLU 40 11.697 15.187 -17.463 256 HG3 GLU 40 HG3 GLU 40 10.353 15.572 -16.393 257 HA PRO 41 HA PRO 41 9.780 19.311 -13.924 258 HB2 PRO 41 HB2 PRO 41 7.362 20.438 -14.098 259 HB3 PRO 41 HB3 PRO 41 8.807 21.285 -14.666 260 HG2 PRO 41 HG2 PRO 41 6.749 19.789 -16.243 261 HG3 PRO 41 HG3 PRO 41 7.517 21.346 -16.601 262 HD2 PRO 41 HD2 PRO 41 8.295 18.953 -17.710 263 HD3 PRO 41 HD3 PRO 41 9.368 20.353 -17.517 264 H CYS 42 H CYS 42 8.614 18.331 -12.272 265 HA CYS 42 HA CYS 42 7.096 15.970 -13.020 266 HB2 CYS 42 HB2 CYS 42 7.346 15.363 -10.647 267 HB3 CYS 42 HB3 CYS 42 8.900 15.776 -11.357 268 HA PRO 43 HA PRO 43 3.160 17.786 -12.123 269 HB2 PRO 43 HB2 PRO 43 1.741 15.696 -11.181 270 HB3 PRO 43 HB3 PRO 43 2.270 15.793 -12.866 271 HG2 PRO 43 HG2 PRO 43 3.509 14.300 -10.579 272 HG3 PRO 43 HG3 PRO 43 3.187 13.740 -12.232 273 HD2 PRO 43 HD2 PRO 43 5.635 14.571 -11.443 274 HD3 PRO 43 HD3 PRO 43 5.034 14.820 -13.093 275 H ALA 44 H ALA 44 5.154 17.942 -9.867 276 HA ALA 44 HA ALA 44 3.496 17.615 -7.506 277 HB1 ALA 44 HB1 ALA 44 5.448 18.191 -6.238 278 HB2 ALA 44 HB2 ALA 44 6.280 18.745 -7.687 279 HB3 ALA 44 HB3 ALA 44 5.916 17.035 -7.487 280 HA PRO 45 HA PRO 45 1.858 21.761 -7.738 281 HB2 PRO 45 HB2 PRO 45 1.265 21.951 -5.029 282 HB3 PRO 45 HB3 PRO 45 0.206 21.243 -6.252 283 HG2 PRO 45 HG2 PRO 45 2.087 19.892 -4.361 284 HG3 PRO 45 HG3 PRO 45 0.460 19.398 -4.866 285 HD2 PRO 45 HD2 PRO 45 2.629 18.228 -5.876 286 HD3 PRO 45 HD3 PRO 45 1.217 18.562 -6.898 287 H ASP 46 H ASP 46 3.945 20.940 -4.949 288 HA ASP 46 HA ASP 46 4.957 23.689 -4.938 289 HB2 ASP 46 HB2 ASP 46 5.849 23.192 -2.734 290 HB3 ASP 46 HB3 ASP 46 4.156 22.725 -2.802 291 H CYS 47 H CYS 47 5.676 21.680 -6.948 292 HA CYS 47 HA CYS 47 8.087 20.427 -6.762 293 HB2 CYS 47 HB2 CYS 47 6.816 20.240 -8.764 294 HB3 CYS 47 HB3 CYS 47 6.886 21.972 -9.048 295 H HIS 48 H HIS 48 10.218 20.921 -6.820 296 HA HIS 48 HA HIS 48 11.192 23.476 -7.650 297 HB2 HIS 48 HB2 HIS 48 10.372 23.911 -5.275 298 HB3 HIS 48 HB3 HIS 48 11.656 22.836 -4.734 299 HD1 HIS 48 HD1 HIS 48 13.678 24.095 -4.029 300 HD2 HIS 48 HD2 HIS 48 11.633 26.037 -7.075 301 HE1 HIS 48 HE1 HIS 48 14.957 26.209 -4.462 302 HE2 HIS 48 HE2 HIS 48 13.852 27.211 -6.477 303 H CYS 49 H CYS 49 11.848 21.269 -8.801 304 HA CYS 49 HA CYS 49 14.087 19.900 -7.652 305 HB2 CYS 49 HB2 CYS 49 13.263 19.978 -10.556 306 HB3 CYS 49 HB3 CYS 49 14.201 18.730 -9.739 307 H GLU 50 H GLU 50 15.941 20.961 -7.326 308 HA GLU 50 HA GLU 50 16.739 23.102 -9.104 309 HB2 GLU 50 HB2 GLU 50 16.943 23.437 -6.690 310 HB3 GLU 50 HB3 GLU 50 18.019 22.052 -6.577 311 HG2 GLU 50 HG2 GLU 50 19.618 23.248 -8.047 312 HG3 GLU 50 HG3 GLU 50 18.556 24.654 -7.984 313 H ARG 51 H ARG 51 18.458 20.262 -7.727 314 HA ARG 51 HA ARG 51 20.244 20.378 -10.010 315 HB2 ARG 51 HB2 ARG 51 21.619 18.728 -8.942 316 HB3 ARG 51 HB3 ARG 51 21.163 19.914 -7.735 317 HG2 ARG 51 HG2 ARG 51 19.343 17.642 -7.830 318 HG3 ARG 51 HG3 ARG 51 21.010 17.181 -7.472 319 HD2 ARG 51 HD2 ARG 51 19.326 19.206 -6.008 320 HD3 ARG 51 HD3 ARG 51 19.819 17.621 -5.417 321 HE ARG 51 HE ARG 51 22.179 18.625 -5.724 322 HH11 ARG 51 HH11 ARG 51 19.331 20.389 -4.642 323 HH12 ARG 51 HH12 ARG 51 20.245 21.517 -3.704 324 HH21 ARG 51 HH21 ARG 51 23.376 20.122 -4.477 325 HH22 ARG 51 HH22 ARG 51 22.553 21.365 -3.596 326 H SER 52 H SER 52 20.448 18.909 -11.611 327 HA SER 52 HA SER 52 18.195 17.050 -11.888 328 HB2 SER 52 HB2 SER 52 19.995 18.182 -14.039 329 HB3 SER 52 HB3 SER 52 18.540 17.213 -14.288 330 HG SER 52 HG SER 52 18.063 19.359 -12.697 Start of MODEL 5 1 HA ASN 1 HA ASN 1 7.073 4.126 6.744 2 HB2 ASN 1 HB2 ASN 1 4.933 2.408 5.482 3 HB3 ASN 1 HB3 ASN 1 6.254 3.124 4.569 4 HD21 ASN 1 HD21 ASN 1 5.555 0.337 5.048 5 HD22 ASN 1 HD22 ASN 1 6.954 -0.386 5.761 6 H GLU 2 H GLU 2 7.137 5.754 5.254 7 HA GLU 2 HA GLU 2 4.599 7.056 4.596 8 HB2 GLU 2 HB2 GLU 2 5.819 8.256 6.447 9 HB3 GLU 2 HB3 GLU 2 7.130 8.547 5.311 10 HG2 GLU 2 HG2 GLU 2 5.565 10.459 5.602 11 HG3 GLU 2 HG3 GLU 2 5.744 9.907 3.937 12 H LEU 3 H LEU 3 4.598 8.149 2.573 13 HA LEU 3 HA LEU 3 6.720 7.142 0.791 14 HB2 LEU 3 HB2 LEU 3 4.371 6.120 0.683 15 HB3 LEU 3 HB3 LEU 3 3.872 7.641 -0.022 16 HG LEU 3 HG LEU 3 5.542 7.260 -1.852 17 HD11 LEU 3 HD11 LEU 3 6.382 4.974 -2.149 18 HD12 LEU 3 HD12 LEU 3 5.737 4.541 -0.566 19 HD13 LEU 3 HD13 LEU 3 7.030 5.734 -0.696 20 HD21 LEU 3 HD21 LEU 3 4.177 5.589 -3.011 21 HD22 LEU 3 HD22 LEU 3 3.175 6.765 -2.162 22 HD23 LEU 3 HD23 LEU 3 3.411 5.154 -1.483 23 H ARG 4 H ARG 4 7.920 8.725 -0.015 24 HA ARG 4 HA ARG 4 6.594 11.105 -1.073 25 HB2 ARG 4 HB2 ARG 4 8.341 12.607 -0.234 26 HB3 ARG 4 HB3 ARG 4 7.485 11.838 1.089 27 HG2 ARG 4 HG2 ARG 4 10.020 10.608 0.130 28 HG3 ARG 4 HG3 ARG 4 10.097 12.082 1.096 29 HD2 ARG 4 HD2 ARG 4 8.729 9.511 1.881 30 HD3 ARG 4 HD3 ARG 4 10.271 10.101 2.503 31 HE ARG 4 HE ARG 4 8.103 11.954 2.855 32 HH11 ARG 4 HH11 ARG 4 9.745 9.189 4.262 33 HH12 ARG 4 HH12 ARG 4 9.218 9.546 5.872 34 HH21 ARG 4 HH21 ARG 4 7.409 12.415 4.977 35 HH22 ARG 4 HH22 ARG 4 7.882 11.378 6.278 36 H CYS 5 H CYS 5 8.231 12.368 -2.495 37 HA CYS 5 HA CYS 5 9.189 10.488 -4.398 38 HB2 CYS 5 HB2 CYS 5 8.209 12.752 -4.939 39 HB3 CYS 5 HB3 CYS 5 9.720 13.460 -4.381 40 H GLY 6 H GLY 6 11.277 10.116 -5.089 41 HA2 GLY 6 HA2 GLY 6 13.247 9.988 -3.032 42 HA3 GLY 6 HA3 GLY 6 13.450 9.545 -4.722 43 H CYS 7 H CYS 7 12.494 12.277 -5.425 44 HA CYS 7 HA CYS 7 14.979 13.487 -5.808 45 HB2 CYS 7 HB2 CYS 7 12.515 13.886 -6.824 46 HB3 CYS 7 HB3 CYS 7 12.583 15.228 -5.691 47 HA PRO 8 HA PRO 8 15.351 14.868 -1.543 48 HB2 PRO 8 HB2 PRO 8 17.923 15.684 -1.706 49 HB3 PRO 8 HB3 PRO 8 17.471 13.979 -1.594 50 HG2 PRO 8 HG2 PRO 8 18.228 15.583 -4.003 51 HG3 PRO 8 HG3 PRO 8 18.712 13.937 -3.557 52 HD2 PRO 8 HD2 PRO 8 16.755 14.468 -5.369 53 HD3 PRO 8 HD3 PRO 8 16.755 13.011 -4.349 54 H ASP 9 H ASP 9 15.412 16.713 -4.387 55 HA ASP 9 HA ASP 9 15.688 19.206 -2.853 56 HB2 ASP 9 HB2 ASP 9 17.271 18.810 -4.784 57 HB3 ASP 9 HB3 ASP 9 15.878 18.915 -5.854 58 H CYS 10 H CYS 10 13.308 17.236 -3.840 59 HA CYS 10 HA CYS 10 11.451 19.466 -4.134 60 HB2 CYS 10 HB2 CYS 10 12.128 18.606 -6.415 61 HB3 CYS 10 HB3 CYS 10 11.361 17.082 -5.986 62 H HIS 11 H HIS 11 9.305 18.971 -3.561 63 HA HIS 11 HA HIS 11 8.941 16.399 -2.186 64 HB2 HIS 11 HB2 HIS 11 8.083 19.158 -1.365 65 HB3 HIS 11 HB3 HIS 11 7.171 17.753 -0.837 66 HD2 HIS 11 HD2 HIS 11 10.442 19.613 -0.024 67 HE1 HIS 11 HE1 HIS 11 10.209 16.228 2.518 68 HE2 HIS 11 HE2 HIS 11 11.233 18.495 2.167 69 H CYS 12 H CYS 12 7.932 15.327 -3.779 70 HA CYS 12 HA CYS 12 5.555 16.537 -4.988 71 HB2 CYS 12 HB2 CYS 12 6.712 13.921 -5.822 72 HB3 CYS 12 HB3 CYS 12 5.864 15.122 -6.787 73 H LYS 13 H LYS 13 3.565 15.573 -4.777 74 HA LYS 13 HA LYS 13 3.261 13.650 -2.709 75 HB2 LYS 13 HB2 LYS 13 0.817 13.599 -3.600 76 HB3 LYS 13 HB3 LYS 13 1.403 15.045 -2.812 77 HG2 LYS 13 HG2 LYS 13 0.177 15.802 -4.657 78 HG3 LYS 13 HG3 LYS 13 1.862 15.957 -5.138 79 HD2 LYS 13 HD2 LYS 13 0.505 15.061 -6.959 80 HD3 LYS 13 HD3 LYS 13 1.688 13.873 -6.418 81 HE2 LYS 13 HE2 LYS 13 -0.453 12.808 -6.815 82 HE3 LYS 13 HE3 LYS 13 -0.069 12.754 -5.099 83 HZ1 LYS 13 HZ1 LYS 13 -1.543 14.692 -4.797 84 HZ2 LYS 13 HZ2 LYS 13 -2.351 13.337 -5.406 85 HZ3 LYS 13 HZ3 LYS 13 -1.956 14.613 -6.436 86 H VAL 14 H VAL 14 3.376 11.545 -2.850 87 HA VAL 14 HA VAL 14 3.639 10.425 -5.544 88 HB VAL 14 HB VAL 14 4.731 9.351 -2.939 89 HG11 VAL 14 HG11 VAL 14 4.149 7.555 -4.499 90 HG12 VAL 14 HG12 VAL 14 5.896 7.707 -4.317 91 HG13 VAL 14 HG13 VAL 14 5.102 8.340 -5.760 92 HG21 VAL 14 HG21 VAL 14 6.111 10.605 -5.304 93 HG22 VAL 14 HG22 VAL 14 6.906 9.925 -3.884 94 HG23 VAL 14 HG23 VAL 14 5.880 11.350 -3.724 95 H ASP 15 H ASP 15 2.294 9.000 -6.247 96 HA ASP 15 HA ASP 15 0.058 8.192 -4.603 97 HB2 ASP 15 HB2 ASP 15 -0.157 9.001 -6.973 98 HB3 ASP 15 HB3 ASP 15 0.647 7.525 -7.474 99 HA PRO 16 HA PRO 16 1.974 4.355 -3.568 100 HB2 PRO 16 HB2 PRO 16 -0.271 2.966 -2.847 101 HB3 PRO 16 HB3 PRO 16 0.521 4.155 -1.808 102 HG2 PRO 16 HG2 PRO 16 -1.877 4.474 -3.568 103 HG3 PRO 16 HG3 PRO 16 -1.602 5.089 -1.929 104 HD2 PRO 16 HD2 PRO 16 -1.351 6.659 -4.104 105 HD3 PRO 16 HD3 PRO 16 -0.319 6.863 -2.673 106 H GLU 17 H GLU 17 -0.444 4.631 -6.037 107 HA GLU 17 HA GLU 17 0.167 1.912 -6.945 108 HB2 GLU 17 HB2 GLU 17 -2.204 2.398 -6.734 109 HB3 GLU 17 HB3 GLU 17 -2.034 3.807 -7.771 110 HG2 GLU 17 HG2 GLU 17 -1.514 2.428 -9.657 111 HG3 GLU 17 HG3 GLU 17 -1.500 0.980 -8.649 112 H ARG 18 H ARG 18 0.627 5.254 -7.725 113 HA ARG 18 HA ARG 18 1.630 4.499 -10.398 114 HB2 ARG 18 HB2 ARG 18 0.661 7.121 -9.320 115 HB3 ARG 18 HB3 ARG 18 1.557 6.999 -10.821 116 HG2 ARG 18 HG2 ARG 18 -0.156 5.665 -11.808 117 HG3 ARG 18 HG3 ARG 18 -1.020 5.564 -10.269 118 HD2 ARG 18 HD2 ARG 18 -1.901 7.256 -11.903 119 HD3 ARG 18 HD3 ARG 18 -1.522 7.848 -10.284 120 HE ARG 18 HE ARG 18 0.702 8.530 -11.371 121 HH11 ARG 18 HH11 ARG 18 -2.355 8.572 -13.110 122 HH12 ARG 18 HH12 ARG 18 -1.901 9.912 -14.097 123 HH21 ARG 18 HH21 ARG 18 1.286 10.281 -12.682 124 HH22 ARG 18 HH22 ARG 18 0.178 10.888 -13.868 125 H VAL 19 H VAL 19 2.863 4.581 -7.653 126 HA VAL 19 HA VAL 19 4.955 6.460 -7.699 127 HB VAL 19 HB VAL 19 4.480 5.529 -5.592 128 HG11 VAL 19 HG11 VAL 19 3.422 3.476 -6.263 129 HG12 VAL 19 HG12 VAL 19 4.687 3.134 -5.077 130 HG13 VAL 19 HG13 VAL 19 4.971 2.810 -6.790 131 HG21 VAL 19 HG21 VAL 19 6.607 4.551 -4.859 132 HG22 VAL 19 HG22 VAL 19 6.828 5.960 -5.895 133 HG23 VAL 19 HG23 VAL 19 7.072 4.337 -6.546 134 H PHE 20 H PHE 20 6.747 6.582 -8.783 135 HA PHE 20 HA PHE 20 7.558 4.470 -10.587 136 HB2 PHE 20 HB2 PHE 20 7.648 7.243 -10.645 137 HB3 PHE 20 HB3 PHE 20 9.318 6.786 -10.347 138 HD1 PHE 20 HD1 PHE 20 6.581 6.760 -12.679 139 HD2 PHE 20 HD2 PHE 20 10.570 5.511 -11.998 140 HE1 PHE 20 HE1 PHE 20 6.837 6.303 -15.090 141 HE2 PHE 20 HE2 PHE 20 10.850 5.052 -14.399 142 HZ PHE 20 HZ PHE 20 8.979 5.448 -15.949 143 H ASN 21 H ASN 21 8.883 2.901 -9.852 144 HA ASN 21 HA ASN 21 10.524 3.411 -7.507 145 HB2 ASN 21 HB2 ASN 21 9.321 1.299 -7.548 146 HB3 ASN 21 HB3 ASN 21 10.082 0.863 -9.074 147 HD21 ASN 21 HD21 ASN 21 12.251 0.232 -9.087 148 HD22 ASN 21 HD22 ASN 21 13.081 -0.235 -7.645 149 H HIS 22 H HIS 22 12.519 4.045 -7.619 150 HA HIS 22 HA HIS 22 14.238 3.073 -9.770 151 HB2 HIS 22 HB2 HIS 22 13.439 5.276 -10.542 152 HB3 HIS 22 HB3 HIS 22 13.974 6.004 -9.037 153 HD2 HIS 22 HD2 HIS 22 16.769 6.406 -8.830 154 HE1 HIS 22 HE1 HIS 22 17.591 5.437 -12.873 155 HE2 HIS 22 HE2 HIS 22 18.443 6.562 -10.794 156 H ASP 23 H ASP 23 16.009 2.246 -8.864 157 HA ASP 23 HA ASP 23 17.747 1.872 -7.433 158 HB2 ASP 23 HB2 ASP 23 18.272 4.248 -7.855 159 HB3 ASP 23 HB3 ASP 23 17.183 4.725 -6.564 160 H GLY 24 H GLY 24 14.838 1.531 -6.682 161 HA2 GLY 24 HA2 GLY 24 13.883 0.371 -4.902 162 HA3 GLY 24 HA3 GLY 24 15.313 0.722 -3.940 163 H GLU 25 H GLU 25 14.452 3.566 -5.281 164 HA GLU 25 HA GLU 25 13.082 4.406 -2.845 165 HB2 GLU 25 HB2 GLU 25 15.132 5.614 -3.582 166 HB3 GLU 25 HB3 GLU 25 14.302 6.044 -5.065 167 HG2 GLU 25 HG2 GLU 25 14.347 7.893 -3.500 168 HG3 GLU 25 HG3 GLU 25 12.699 7.362 -3.828 169 H ALA 26 H ALA 26 11.346 6.003 -3.113 170 HA ALA 26 HA ALA 26 9.555 5.181 -5.290 171 HB1 ALA 26 HB1 ALA 26 7.741 5.967 -3.867 172 HB2 ALA 26 HB2 ALA 26 8.909 6.528 -2.672 173 HB3 ALA 26 HB3 ALA 26 8.750 4.804 -3.008 174 H TYR 27 H TYR 27 8.922 6.602 -6.797 175 HA TYR 27 HA TYR 27 9.489 9.450 -6.331 176 HB2 TYR 27 HB2 TYR 27 9.979 7.835 -8.830 177 HB3 TYR 27 HB3 TYR 27 9.978 9.591 -8.800 178 HD1 TYR 27 HD1 TYR 27 11.727 6.577 -7.553 179 HD2 TYR 27 HD2 TYR 27 11.865 10.793 -8.044 180 HE1 TYR 27 HE1 TYR 27 14.114 6.564 -6.970 181 HE2 TYR 27 HE2 TYR 27 14.246 10.791 -7.469 182 HH TYR 27 HH TYR 27 16.089 7.890 -7.198 183 H CYS 28 H CYS 28 8.178 10.902 -7.589 184 HA CYS 28 HA CYS 28 5.432 10.106 -7.641 185 HB2 CYS 28 HB2 CYS 28 5.067 12.404 -8.457 186 HB3 CYS 28 HB3 CYS 28 6.098 12.360 -7.027 187 H SER 29 H SER 29 7.862 10.888 -10.078 188 HA SER 29 HA SER 29 6.436 9.388 -12.085 189 HB2 SER 29 HB2 SER 29 5.408 11.688 -12.134 190 HB3 SER 29 HB3 SER 29 6.998 12.336 -12.528 191 HG SER 29 HG SER 29 5.346 10.629 -14.067 192 H GLN 30 H GLN 30 7.797 10.005 -14.302 193 HA GLN 30 HA GLN 30 10.312 8.833 -13.722 194 HB2 GLN 30 HB2 GLN 30 10.700 8.940 -16.179 195 HB3 GLN 30 HB3 GLN 30 9.227 8.119 -15.699 196 HG2 GLN 30 HG2 GLN 30 8.324 9.347 -17.343 197 HG3 GLN 30 HG3 GLN 30 8.272 10.595 -16.102 198 HE21 GLN 30 HE21 GLN 30 9.556 12.382 -16.312 199 HE22 GLN 30 HE22 GLN 30 10.546 12.687 -17.696 200 H ALA 31 H ALA 31 9.352 12.136 -14.120 201 HA ALA 31 HA ALA 31 11.726 13.277 -15.073 202 HB1 ALA 31 HB1 ALA 31 9.776 14.440 -13.081 203 HB2 ALA 31 HB2 ALA 31 9.681 14.577 -14.840 204 HB3 ALA 31 HB3 ALA 31 11.001 15.349 -13.966 205 H CYS 32 H CYS 32 10.744 13.012 -11.664 206 HA CYS 32 HA CYS 32 13.304 13.695 -10.683 207 HB2 CYS 32 HB2 CYS 32 10.984 12.310 -9.342 208 HB3 CYS 32 HB3 CYS 32 12.386 12.977 -8.509 209 H ALA 33 H ALA 33 11.722 10.677 -11.423 210 HA ALA 33 HA ALA 33 13.423 8.945 -9.992 211 HB1 ALA 33 HB1 ALA 33 11.859 8.316 -12.492 212 HB2 ALA 33 HB2 ALA 33 11.213 8.284 -10.851 213 HB3 ALA 33 HB3 ALA 33 12.484 7.156 -11.320 214 H GLU 34 H GLU 34 13.503 10.096 -13.313 215 HA GLU 34 HA GLU 34 15.899 8.576 -13.893 216 HB2 GLU 34 HB2 GLU 34 14.420 10.592 -15.589 217 HB3 GLU 34 HB3 GLU 34 15.715 9.542 -16.140 218 HG2 GLU 34 HG2 GLU 34 12.995 8.685 -15.174 219 HG3 GLU 34 HG3 GLU 34 13.574 8.674 -16.838 220 H GLN 35 H GLN 35 15.502 11.126 -12.065 221 HA GLN 35 HA GLN 35 16.851 12.719 -11.219 222 HB2 GLN 35 HB2 GLN 35 18.965 11.504 -13.002 223 HB3 GLN 35 HB3 GLN 35 19.268 12.663 -11.716 224 HG2 GLN 35 HG2 GLN 35 18.047 9.940 -11.306 225 HG3 GLN 35 HG3 GLN 35 19.754 10.315 -11.104 226 HE21 GLN 35 HE21 GLN 35 19.726 9.725 -8.944 227 HE22 GLN 35 HE22 GLN 35 18.966 10.686 -7.722 228 H HIS 36 H HIS 36 15.363 13.018 -13.776 229 HA HIS 36 HA HIS 36 14.876 14.615 -15.293 230 HB2 HIS 36 HB2 HIS 36 16.708 16.385 -13.651 231 HB3 HIS 36 HB3 HIS 36 15.487 16.930 -14.794 232 HD1 HIS 36 HD1 HIS 36 13.245 17.450 -13.802 233 HD2 HIS 36 HD2 HIS 36 15.464 14.916 -11.367 234 HE1 HIS 36 HE1 HIS 36 11.924 17.212 -11.680 235 HA PRO 37 HA PRO 37 18.755 13.806 -17.645 236 HB2 PRO 37 HB2 PRO 37 17.543 12.712 -19.805 237 HB3 PRO 37 HB3 PRO 37 17.928 11.779 -18.355 238 HG2 PRO 37 HG2 PRO 37 15.323 12.979 -19.201 239 HG3 PRO 37 HG3 PRO 37 15.643 11.391 -18.481 240 HD2 PRO 37 HD2 PRO 37 14.712 13.514 -17.056 241 HD3 PRO 37 HD3 PRO 37 15.721 12.238 -16.346 242 H ASN 38 H ASN 38 15.711 15.261 -18.661 243 HA ASN 38 HA ASN 38 17.066 16.757 -20.797 244 HB2 ASN 38 HB2 ASN 38 14.960 15.586 -21.337 245 HB3 ASN 38 HB3 ASN 38 14.128 16.521 -20.103 246 HD21 ASN 38 HD21 ASN 38 16.559 17.778 -22.313 247 HD22 ASN 38 HD22 ASN 38 15.488 18.820 -23.172 248 H GLY 39 H GLY 39 15.695 17.112 -17.655 249 HA2 GLY 39 HA2 GLY 39 16.215 19.007 -16.274 250 HA3 GLY 39 HA3 GLY 39 16.299 19.999 -17.732 251 H GLU 40 H GLU 40 13.891 17.619 -17.244 252 HA GLU 40 HA GLU 40 11.799 19.560 -17.584 253 HB2 GLU 40 HB2 GLU 40 10.334 17.552 -17.704 254 HB3 GLU 40 HB3 GLU 40 11.645 17.523 -18.871 255 HG2 GLU 40 HG2 GLU 40 11.803 16.067 -16.241 256 HG3 GLU 40 HG3 GLU 40 11.062 15.351 -17.665 257 HA PRO 41 HA PRO 41 11.058 19.738 -13.134 258 HB2 PRO 41 HB2 PRO 41 8.695 21.291 -13.980 259 HB3 PRO 41 HB3 PRO 41 10.023 21.775 -12.922 260 HG2 PRO 41 HG2 PRO 41 9.750 22.788 -15.393 261 HG3 PRO 41 HG3 PRO 41 11.342 22.484 -14.678 262 HD2 PRO 41 HD2 PRO 41 9.831 20.869 -16.693 263 HD3 PRO 41 HD3 PRO 41 11.565 21.251 -16.615 264 H CYS 42 H CYS 42 9.713 18.479 -11.891 265 HA CYS 42 HA CYS 42 8.101 16.589 -13.291 266 HB2 CYS 42 HB2 CYS 42 7.752 15.613 -11.063 267 HB3 CYS 42 HB3 CYS 42 9.451 15.960 -11.355 268 HA PRO 43 HA PRO 43 4.134 18.504 -12.883 269 HB2 PRO 43 HB2 PRO 43 2.478 16.403 -12.649 270 HB3 PRO 43 HB3 PRO 43 3.389 16.706 -14.135 271 HG2 PRO 43 HG2 PRO 43 3.990 14.799 -11.904 272 HG3 PRO 43 HG3 PRO 43 4.062 14.527 -13.654 273 HD2 PRO 43 HD2 PRO 43 6.252 15.067 -12.150 274 HD3 PRO 43 HD3 PRO 43 6.113 15.533 -13.855 275 H ALA 44 H ALA 44 5.568 18.407 -10.357 276 HA ALA 44 HA ALA 44 3.502 17.696 -8.424 277 HB1 ALA 44 HB1 ALA 44 6.323 18.668 -7.964 278 HB2 ALA 44 HB2 ALA 44 5.800 16.985 -7.958 279 HB3 ALA 44 HB3 ALA 44 5.205 18.097 -6.727 280 HA PRO 45 HA PRO 45 2.027 21.885 -8.244 281 HB2 PRO 45 HB2 PRO 45 0.841 21.751 -5.781 282 HB3 PRO 45 HB3 PRO 45 0.114 21.085 -7.248 283 HG2 PRO 45 HG2 PRO 45 1.691 19.690 -5.118 284 HG3 PRO 45 HG3 PRO 45 0.183 19.176 -5.905 285 HD2 PRO 45 HD2 PRO 45 2.550 18.158 -6.625 286 HD3 PRO 45 HD3 PRO 45 1.290 18.491 -7.833 287 H ASP 46 H ASP 46 3.987 20.437 -5.757 288 HA ASP 46 HA ASP 46 4.806 23.096 -4.781 289 HB2 ASP 46 HB2 ASP 46 3.880 21.536 -3.081 290 HB3 ASP 46 HB3 ASP 46 5.139 20.377 -3.477 291 H CYS 47 H CYS 47 5.691 21.500 -7.204 292 HA CYS 47 HA CYS 47 8.194 20.386 -6.921 293 HB2 CYS 47 HB2 CYS 47 6.996 20.246 -9.009 294 HB3 CYS 47 HB3 CYS 47 7.132 21.987 -9.240 295 H HIS 48 H HIS 48 10.232 21.047 -6.859 296 HA HIS 48 HA HIS 48 10.794 23.937 -6.876 297 HB2 HIS 48 HB2 HIS 48 10.677 23.262 -4.539 298 HB3 HIS 48 HB3 HIS 48 11.750 21.903 -4.839 299 HD1 HIS 48 HD1 HIS 48 11.818 25.694 -4.696 300 HD2 HIS 48 HD2 HIS 48 14.422 22.460 -4.554 301 HE1 HIS 48 HE1 HIS 48 14.058 26.651 -4.081 302 HE2 HIS 48 HE2 HIS 48 15.642 24.703 -4.183 303 H CYS 49 H CYS 49 11.419 20.966 -8.194 304 HA CYS 49 HA CYS 49 14.236 21.566 -8.741 305 HB2 CYS 49 HB2 CYS 49 14.388 19.196 -9.386 306 HB3 CYS 49 HB3 CYS 49 13.843 19.403 -7.722 307 H GLU 50 H GLU 50 14.935 20.701 -10.926 308 HA GLU 50 HA GLU 50 13.164 20.420 -13.056 309 HB2 GLU 50 HB2 GLU 50 13.810 22.587 -14.286 310 HB3 GLU 50 HB3 GLU 50 12.592 22.700 -13.028 311 HG2 GLU 50 HG2 GLU 50 14.438 23.458 -11.479 312 HG3 GLU 50 HG3 GLU 50 15.463 23.583 -12.909 313 H ARG 51 H ARG 51 16.252 22.163 -12.860 314 HA ARG 51 HA ARG 51 17.436 20.154 -14.605 315 HB2 ARG 51 HB2 ARG 51 19.365 21.669 -14.717 316 HB3 ARG 51 HB3 ARG 51 17.879 22.496 -15.161 317 HG2 ARG 51 HG2 ARG 51 17.920 23.850 -13.329 318 HG3 ARG 51 HG3 ARG 51 18.750 22.656 -12.331 319 HD2 ARG 51 HD2 ARG 51 20.040 24.158 -14.603 320 HD3 ARG 51 HD3 ARG 51 20.134 24.649 -12.911 321 HE ARG 51 HE ARG 51 20.965 21.937 -13.286 322 HH11 ARG 51 HH11 ARG 51 22.069 25.255 -13.627 323 HH12 ARG 51 HH12 ARG 51 23.729 24.852 -13.357 324 HH21 ARG 51 HH21 ARG 51 23.137 21.403 -12.946 325 HH22 ARG 51 HH22 ARG 51 24.350 22.655 -12.968 326 H SER 52 H SER 52 19.550 19.264 -14.021 327 HA SER 52 HA SER 52 20.072 19.237 -11.140 328 HB2 SER 52 HB2 SER 52 20.616 16.756 -11.411 329 HB3 SER 52 HB3 SER 52 18.907 17.190 -11.452 330 HG SER 52 HG SER 52 19.229 15.844 -13.162 Start of MODEL 6 1 HA ASN 1 HA ASN 1 2.032 4.379 4.269 2 HB2 ASN 1 HB2 ASN 1 0.663 3.843 2.216 3 HB3 ASN 1 HB3 ASN 1 1.249 5.337 1.503 4 HD21 ASN 1 HD21 ASN 1 1.590 2.637 0.548 5 HD22 ASN 1 HD22 ASN 1 3.290 2.345 0.479 6 H GLU 2 H GLU 2 3.799 5.406 4.926 7 HA GLU 2 HA GLU 2 4.263 8.166 4.261 8 HB2 GLU 2 HB2 GLU 2 5.923 6.177 5.812 9 HB3 GLU 2 HB3 GLU 2 6.356 7.865 5.597 10 HG2 GLU 2 HG2 GLU 2 4.226 8.485 6.716 11 HG3 GLU 2 HG3 GLU 2 3.961 6.775 7.048 12 H LEU 3 H LEU 3 4.368 7.855 1.944 13 HA LEU 3 HA LEU 3 6.994 6.856 1.071 14 HB2 LEU 3 HB2 LEU 3 4.950 5.524 0.359 15 HB3 LEU 3 HB3 LEU 3 4.494 6.915 -0.603 16 HG LEU 3 HG LEU 3 6.607 6.688 -1.879 17 HD11 LEU 3 HD11 LEU 3 7.972 5.588 -0.207 18 HD12 LEU 3 HD12 LEU 3 7.880 4.593 -1.660 19 HD13 LEU 3 HD13 LEU 3 6.918 4.175 -0.243 20 HD21 LEU 3 HD21 LEU 3 5.926 4.700 -3.130 21 HD22 LEU 3 HD22 LEU 3 4.536 5.700 -2.707 22 HD23 LEU 3 HD23 LEU 3 4.869 4.224 -1.802 23 H ARG 4 H ARG 4 8.259 8.498 0.512 24 HA ARG 4 HA ARG 4 6.998 10.874 -0.677 25 HB2 ARG 4 HB2 ARG 4 9.632 10.708 0.810 26 HB3 ARG 4 HB3 ARG 4 8.988 12.154 0.051 27 HG2 ARG 4 HG2 ARG 4 8.445 12.467 2.268 28 HG3 ARG 4 HG3 ARG 4 6.959 11.771 1.618 29 HD2 ARG 4 HD2 ARG 4 7.731 9.545 2.388 30 HD3 ARG 4 HD3 ARG 4 9.128 10.330 3.122 31 HE ARG 4 HE ARG 4 6.643 11.436 3.988 32 HH11 ARG 4 HH11 ARG 4 8.987 8.884 4.515 33 HH12 ARG 4 HH12 ARG 4 8.478 8.582 6.142 34 HH21 ARG 4 HH21 ARG 4 5.972 11.043 6.143 35 HH22 ARG 4 HH22 ARG 4 6.745 9.803 7.074 36 H CYS 5 H CYS 5 8.541 12.089 -2.135 37 HA CYS 5 HA CYS 5 9.368 10.314 -4.200 38 HB2 CYS 5 HB2 CYS 5 8.297 12.514 -4.607 39 HB3 CYS 5 HB3 CYS 5 9.730 13.306 -3.961 40 H GLY 6 H GLY 6 11.469 10.108 -5.025 41 HA2 GLY 6 HA2 GLY 6 13.510 9.885 -3.089 42 HA3 GLY 6 HA3 GLY 6 13.697 9.700 -4.827 43 H CYS 7 H CYS 7 12.658 12.384 -5.332 44 HA CYS 7 HA CYS 7 15.079 13.807 -5.346 45 HB2 CYS 7 HB2 CYS 7 12.503 14.116 -6.436 46 HB3 CYS 7 HB3 CYS 7 12.773 15.558 -5.467 47 HA PRO 8 HA PRO 8 14.716 14.965 -0.994 48 HB2 PRO 8 HB2 PRO 8 17.281 15.610 -0.599 49 HB3 PRO 8 HB3 PRO 8 16.775 13.927 -0.784 50 HG2 PRO 8 HG2 PRO 8 18.041 15.754 -2.785 51 HG3 PRO 8 HG3 PRO 8 18.372 14.042 -2.468 52 HD2 PRO 8 HD2 PRO 8 16.784 14.963 -4.524 53 HD3 PRO 8 HD3 PRO 8 16.651 13.343 -3.807 54 H ASP 9 H ASP 9 15.436 16.874 -3.676 55 HA ASP 9 HA ASP 9 15.680 19.325 -2.090 56 HB2 ASP 9 HB2 ASP 9 17.286 18.816 -3.975 57 HB3 ASP 9 HB3 ASP 9 15.937 19.019 -5.084 58 H CYS 10 H CYS 10 13.358 17.470 -3.633 59 HA CYS 10 HA CYS 10 11.624 19.807 -4.030 60 HB2 CYS 10 HB2 CYS 10 12.305 18.648 -6.137 61 HB3 CYS 10 HB3 CYS 10 11.509 17.196 -5.542 62 H HIS 11 H HIS 11 9.304 19.363 -3.751 63 HA HIS 11 HA HIS 11 8.806 17.201 -1.816 64 HB2 HIS 11 HB2 HIS 11 7.594 19.975 -1.842 65 HB3 HIS 11 HB3 HIS 11 7.068 18.668 -0.789 66 HD2 HIS 11 HD2 HIS 11 9.867 21.322 -1.039 67 HE1 HIS 11 HE1 HIS 11 10.534 19.060 2.482 68 HE2 HIS 11 HE2 HIS 11 11.120 21.150 1.214 69 H CYS 12 H CYS 12 7.935 15.734 -3.172 70 HA CYS 12 HA CYS 12 5.672 16.578 -4.849 71 HB2 CYS 12 HB2 CYS 12 7.162 13.984 -5.083 72 HB3 CYS 12 HB3 CYS 12 6.135 14.762 -6.275 73 H LYS 13 H LYS 13 3.903 15.094 -5.035 74 HA LYS 13 HA LYS 13 3.484 13.535 -2.611 75 HB2 LYS 13 HB2 LYS 13 1.053 13.562 -3.382 76 HB3 LYS 13 HB3 LYS 13 1.726 15.090 -2.852 77 HG2 LYS 13 HG2 LYS 13 0.651 15.805 -4.716 78 HG3 LYS 13 HG3 LYS 13 2.194 15.378 -5.444 79 HD2 LYS 13 HD2 LYS 13 0.430 14.500 -6.816 80 HD3 LYS 13 HD3 LYS 13 1.230 13.147 -6.014 81 HE2 LYS 13 HE2 LYS 13 -1.203 12.895 -5.985 82 HE3 LYS 13 HE3 LYS 13 -0.559 13.059 -4.356 83 HZ1 LYS 13 HZ1 LYS 13 -1.813 15.236 -5.940 84 HZ2 LYS 13 HZ2 LYS 13 -1.223 15.380 -4.365 85 HZ3 LYS 13 HZ3 LYS 13 -2.547 14.385 -4.681 86 H VAL 14 H VAL 14 3.651 11.411 -2.733 87 HA VAL 14 HA VAL 14 3.905 10.259 -5.414 88 HB VAL 14 HB VAL 14 4.962 9.247 -2.779 89 HG11 VAL 14 HG11 VAL 14 4.403 7.410 -4.296 90 HG12 VAL 14 HG12 VAL 14 6.146 7.567 -4.080 91 HG13 VAL 14 HG13 VAL 14 5.384 8.157 -5.560 92 HG21 VAL 14 HG21 VAL 14 6.114 11.228 -3.596 93 HG22 VAL 14 HG22 VAL 14 6.368 10.443 -5.155 94 HG23 VAL 14 HG23 VAL 14 7.148 9.803 -3.709 95 H ASP 15 H ASP 15 2.502 8.893 -6.134 96 HA ASP 15 HA ASP 15 0.341 7.960 -4.472 97 HB2 ASP 15 HB2 ASP 15 0.095 8.684 -6.878 98 HB3 ASP 15 HB3 ASP 15 0.965 7.225 -7.325 99 HA PRO 16 HA PRO 16 2.657 4.358 -3.286 100 HB2 PRO 16 HB2 PRO 16 0.025 3.239 -2.544 101 HB3 PRO 16 HB3 PRO 16 1.456 3.502 -1.543 102 HG2 PRO 16 HG2 PRO 16 -0.702 5.061 -1.304 103 HG3 PRO 16 HG3 PRO 16 0.936 5.718 -1.143 104 HD2 PRO 16 HD2 PRO 16 -0.948 5.871 -3.463 105 HD3 PRO 16 HD3 PRO 16 0.135 7.113 -2.797 106 H GLU 17 H GLU 17 -0.047 4.220 -5.483 107 HA GLU 17 HA GLU 17 0.753 1.503 -6.262 108 HB2 GLU 17 HB2 GLU 17 -1.611 1.756 -5.765 109 HB3 GLU 17 HB3 GLU 17 -1.737 3.084 -6.908 110 HG2 GLU 17 HG2 GLU 17 -1.315 1.615 -8.747 111 HG3 GLU 17 HG3 GLU 17 -1.021 0.260 -7.653 112 H ARG 18 H ARG 18 0.685 4.772 -7.297 113 HA ARG 18 HA ARG 18 1.471 3.980 -10.035 114 HB2 ARG 18 HB2 ARG 18 0.343 6.603 -9.049 115 HB3 ARG 18 HB3 ARG 18 0.732 6.213 -10.718 116 HG2 ARG 18 HG2 ARG 18 -1.070 4.806 -10.955 117 HG3 ARG 18 HG3 ARG 18 -1.186 4.491 -9.222 118 HD2 ARG 18 HD2 ARG 18 -1.975 6.748 -8.852 119 HD3 ARG 18 HD3 ARG 18 -1.834 7.101 -10.574 120 HE ARG 18 HE ARG 18 -3.544 5.259 -10.842 121 HH11 ARG 18 HH11 ARG 18 -3.370 7.184 -7.890 122 HH12 ARG 18 HH12 ARG 18 -5.068 7.075 -7.581 123 HH21 ARG 18 HH21 ARG 18 -5.787 5.103 -10.401 124 HH22 ARG 18 HH22 ARG 18 -6.447 5.871 -9.000 125 H VAL 19 H VAL 19 3.229 3.960 -7.842 126 HA VAL 19 HA VAL 19 4.892 6.324 -8.032 127 HB VAL 19 HB VAL 19 4.654 5.436 -5.829 128 HG11 VAL 19 HG11 VAL 19 5.591 2.793 -6.932 129 HG12 VAL 19 HG12 VAL 19 3.969 3.184 -6.354 130 HG13 VAL 19 HG13 VAL 19 5.323 3.148 -5.225 131 HG21 VAL 19 HG21 VAL 19 7.370 4.716 -6.915 132 HG22 VAL 19 HG22 VAL 19 6.974 4.882 -5.205 133 HG23 VAL 19 HG23 VAL 19 6.862 6.281 -6.276 134 H PHE 20 H PHE 20 6.787 6.488 -9.096 135 HA PHE 20 HA PHE 20 7.590 4.276 -10.806 136 HB2 PHE 20 HB2 PHE 20 8.304 7.191 -10.692 137 HB3 PHE 20 HB3 PHE 20 9.313 6.063 -11.586 138 HD1 PHE 20 HD1 PHE 20 6.336 8.033 -11.600 139 HD2 PHE 20 HD2 PHE 20 8.257 4.735 -13.458 140 HE1 PHE 20 HE1 PHE 20 4.820 8.248 -13.529 141 HE2 PHE 20 HE2 PHE 20 6.752 4.939 -15.394 142 HZ PHE 20 HZ PHE 20 5.030 6.699 -15.431 143 H ASN 21 H ASN 21 9.028 2.876 -10.067 144 HA ASN 21 HA ASN 21 10.729 3.639 -7.823 145 HB2 ASN 21 HB2 ASN 21 11.151 1.277 -7.520 146 HB3 ASN 21 HB3 ASN 21 9.419 1.512 -7.723 147 HD21 ASN 21 HD21 ASN 21 12.285 0.132 -9.027 148 HD22 ASN 21 HD22 ASN 21 11.543 -0.719 -10.335 149 H HIS 22 H HIS 22 12.905 3.764 -7.920 150 HA HIS 22 HA HIS 22 14.373 2.672 -10.134 151 HB2 HIS 22 HB2 HIS 22 13.624 4.772 -11.152 152 HB3 HIS 22 HB3 HIS 22 14.263 5.682 -9.792 153 HD2 HIS 22 HD2 HIS 22 16.791 6.578 -10.198 154 HE1 HIS 22 HE1 HIS 22 17.859 3.956 -13.350 155 HE2 HIS 22 HE2 HIS 22 18.594 5.886 -11.920 156 H ASP 23 H ASP 23 16.205 1.934 -9.384 157 HA ASP 23 HA ASP 23 18.031 1.556 -8.106 158 HB2 ASP 23 HB2 ASP 23 18.537 3.949 -8.721 159 HB3 ASP 23 HB3 ASP 23 17.795 4.442 -7.206 160 H GLY 24 H GLY 24 15.239 1.348 -7.050 161 HA2 GLY 24 HA2 GLY 24 14.492 0.285 -5.107 162 HA3 GLY 24 HA3 GLY 24 15.993 0.734 -4.310 163 H GLU 25 H GLU 25 14.950 3.445 -5.768 164 HA GLU 25 HA GLU 25 13.723 4.392 -3.289 165 HB2 GLU 25 HB2 GLU 25 15.840 5.433 -4.324 166 HB3 GLU 25 HB3 GLU 25 14.749 6.091 -5.534 167 HG2 GLU 25 HG2 GLU 25 13.639 7.430 -3.968 168 HG3 GLU 25 HG3 GLU 25 14.357 6.569 -2.605 169 H ALA 26 H ALA 26 11.919 5.813 -3.446 170 HA ALA 26 HA ALA 26 10.111 5.037 -5.614 171 HB1 ALA 26 HB1 ALA 26 8.330 5.800 -4.091 172 HB2 ALA 26 HB2 ALA 26 9.557 6.231 -2.903 173 HB3 ALA 26 HB3 ALA 26 9.340 4.546 -3.374 174 H TYR 27 H TYR 27 9.095 6.535 -6.901 175 HA TYR 27 HA TYR 27 9.684 9.361 -6.400 176 HB2 TYR 27 HB2 TYR 27 10.076 7.935 -9.027 177 HB3 TYR 27 HB3 TYR 27 10.141 9.679 -8.810 178 HD1 TYR 27 HD1 TYR 27 11.924 6.555 -8.508 179 HD2 TYR 27 HD2 TYR 27 11.962 10.670 -7.439 180 HE1 TYR 27 HE1 TYR 27 14.325 6.401 -7.999 181 HE2 TYR 27 HE2 TYR 27 14.353 10.523 -6.939 182 HH TYR 27 HH TYR 27 15.939 8.623 -6.216 183 H CYS 28 H CYS 28 8.247 10.814 -7.303 184 HA CYS 28 HA CYS 28 5.536 9.964 -7.460 185 HB2 CYS 28 HB2 CYS 28 5.133 12.330 -7.996 186 HB3 CYS 28 HB3 CYS 28 6.226 12.160 -6.622 187 H SER 29 H SER 29 7.936 11.063 -9.758 188 HA SER 29 HA SER 29 6.353 10.094 -12.013 189 HB2 SER 29 HB2 SER 29 5.935 12.516 -11.795 190 HB3 SER 29 HB3 SER 29 7.671 12.813 -11.773 191 HG SER 29 HG SER 29 5.983 12.301 -13.873 192 H GLN 30 H GLN 30 7.775 10.043 -14.001 193 HA GLN 30 HA GLN 30 10.197 8.724 -13.369 194 HB2 GLN 30 HB2 GLN 30 10.561 8.639 -15.826 195 HB3 GLN 30 HB3 GLN 30 9.009 8.001 -15.316 196 HG2 GLN 30 HG2 GLN 30 9.156 10.835 -16.147 197 HG3 GLN 30 HG3 GLN 30 9.249 9.595 -17.406 198 HE21 GLN 30 HE21 GLN 30 7.263 11.329 -15.242 199 HE22 GLN 30 HE22 GLN 30 5.762 10.569 -15.643 200 H ALA 31 H ALA 31 9.391 12.007 -13.853 201 HA ALA 31 HA ALA 31 11.767 13.059 -14.885 202 HB1 ALA 31 HB1 ALA 31 9.867 14.305 -12.898 203 HB2 ALA 31 HB2 ALA 31 9.728 14.380 -14.655 204 HB3 ALA 31 HB3 ALA 31 11.078 15.170 -13.843 205 H CYS 32 H CYS 32 10.792 12.961 -11.443 206 HA CYS 32 HA CYS 32 13.362 13.625 -10.481 207 HB2 CYS 32 HB2 CYS 32 11.057 12.256 -9.068 208 HB3 CYS 32 HB3 CYS 32 12.462 12.940 -8.264 209 H ALA 33 H ALA 33 11.859 10.653 -11.370 210 HA ALA 33 HA ALA 33 13.419 8.820 -9.915 211 HB1 ALA 33 HB1 ALA 33 12.094 8.380 -12.587 212 HB2 ALA 33 HB2 ALA 33 11.291 8.248 -11.022 213 HB3 ALA 33 HB3 ALA 33 12.594 7.135 -11.441 214 H GLU 34 H GLU 34 13.708 9.896 -13.257 215 HA GLU 34 HA GLU 34 16.220 8.504 -13.563 216 HB2 GLU 34 HB2 GLU 34 14.718 10.293 -15.472 217 HB3 GLU 34 HB3 GLU 34 16.129 9.323 -15.877 218 HG2 GLU 34 HG2 GLU 34 13.455 8.279 -14.976 219 HG3 GLU 34 HG3 GLU 34 14.080 8.259 -16.622 220 H GLN 35 H GLN 35 15.620 11.121 -11.920 221 HA GLN 35 HA GLN 35 16.828 12.873 -11.166 222 HB2 GLN 35 HB2 GLN 35 19.024 11.646 -12.840 223 HB3 GLN 35 HB3 GLN 35 19.258 13.042 -11.797 224 HG2 GLN 35 HG2 GLN 35 18.579 11.689 -9.864 225 HG3 GLN 35 HG3 GLN 35 18.408 10.290 -10.922 226 HE21 GLN 35 HE21 GLN 35 20.246 9.304 -11.745 227 HE22 GLN 35 HE22 GLN 35 21.821 9.612 -11.097 228 H HIS 36 H HIS 36 15.274 12.906 -13.657 229 HA HIS 36 HA HIS 36 14.597 14.375 -15.232 230 HB2 HIS 36 HB2 HIS 36 16.379 16.399 -13.848 231 HB3 HIS 36 HB3 HIS 36 15.004 16.743 -14.889 232 HD1 HIS 36 HD1 HIS 36 12.853 17.176 -13.679 233 HD2 HIS 36 HD2 HIS 36 15.516 14.954 -11.383 234 HE1 HIS 36 HE1 HIS 36 11.785 16.947 -11.420 235 HA PRO 37 HA PRO 37 18.445 13.633 -17.676 236 HB2 PRO 37 HB2 PRO 37 17.142 12.476 -19.777 237 HB3 PRO 37 HB3 PRO 37 17.704 11.573 -18.368 238 HG2 PRO 37 HG2 PRO 37 14.966 12.589 -19.001 239 HG3 PRO 37 HG3 PRO 37 15.449 11.040 -18.289 240 HD2 PRO 37 HD2 PRO 37 14.480 13.087 -16.812 241 HD3 PRO 37 HD3 PRO 37 15.677 11.939 -16.182 242 H ASN 38 H ASN 38 15.284 14.774 -18.789 243 HA ASN 38 HA ASN 38 16.509 16.325 -20.929 244 HB2 ASN 38 HB2 ASN 38 14.414 15.088 -21.345 245 HB3 ASN 38 HB3 ASN 38 13.613 16.035 -20.099 246 HD21 ASN 38 HD21 ASN 38 15.924 17.250 -22.452 247 HD22 ASN 38 HD22 ASN 38 14.811 18.273 -23.276 248 H GLY 39 H GLY 39 15.195 16.715 -17.759 249 HA2 GLY 39 HA2 GLY 39 15.703 18.654 -16.436 250 HA3 GLY 39 HA3 GLY 39 15.749 19.606 -17.920 251 H GLU 40 H GLU 40 13.376 17.210 -17.229 252 HA GLU 40 HA GLU 40 11.270 19.126 -17.614 253 HB2 GLU 40 HB2 GLU 40 9.796 17.116 -17.488 254 HB3 GLU 40 HB3 GLU 40 11.028 17.018 -18.733 255 HG2 GLU 40 HG2 GLU 40 11.440 15.763 -16.040 256 HG3 GLU 40 HG3 GLU 40 10.526 14.942 -17.301 257 HA PRO 41 HA PRO 41 10.678 19.634 -13.212 258 HB2 PRO 41 HB2 PRO 41 8.548 21.299 -13.377 259 HB3 PRO 41 HB3 PRO 41 10.198 21.846 -13.692 260 HG2 PRO 41 HG2 PRO 41 8.039 21.129 -15.627 261 HG3 PRO 41 HG3 PRO 41 9.216 22.450 -15.700 262 HD2 PRO 41 HD2 PRO 41 9.466 20.113 -17.093 263 HD3 PRO 41 HD3 PRO 41 10.842 21.111 -16.590 264 H CYS 42 H CYS 42 9.556 18.334 -11.862 265 HA CYS 42 HA CYS 42 7.647 16.528 -12.937 266 HB2 CYS 42 HB2 CYS 42 7.581 15.597 -10.674 267 HB3 CYS 42 HB3 CYS 42 9.235 15.881 -11.186 268 HA PRO 43 HA PRO 43 3.863 18.690 -12.198 269 HB2 PRO 43 HB2 PRO 43 2.142 16.676 -11.702 270 HB3 PRO 43 HB3 PRO 43 2.862 16.930 -13.296 271 HG2 PRO 43 HG2 PRO 43 3.693 15.027 -11.131 272 HG3 PRO 43 HG3 PRO 43 3.483 14.715 -12.865 273 HD2 PRO 43 HD2 PRO 43 5.910 15.145 -11.782 274 HD3 PRO 43 HD3 PRO 43 5.498 15.699 -13.416 275 H ALA 44 H ALA 44 5.577 18.406 -9.775 276 HA ALA 44 HA ALA 44 3.661 17.943 -7.635 277 HB1 ALA 44 HB1 ALA 44 5.883 17.101 -7.247 278 HB2 ALA 44 HB2 ALA 44 5.599 18.448 -6.148 279 HB3 ALA 44 HB3 ALA 44 6.586 18.680 -7.590 280 HA PRO 45 HA PRO 45 2.506 22.236 -7.315 281 HB2 PRO 45 HB2 PRO 45 1.866 22.172 -4.630 282 HB3 PRO 45 HB3 PRO 45 0.759 21.685 -5.925 283 HG2 PRO 45 HG2 PRO 45 2.491 20.021 -4.154 284 HG3 PRO 45 HG3 PRO 45 0.838 19.702 -4.715 285 HD2 PRO 45 HD2 PRO 45 2.958 18.470 -5.790 286 HD3 PRO 45 HD3 PRO 45 1.566 18.951 -6.785 287 H ASP 46 H ASP 46 4.420 20.710 -4.777 288 HA ASP 46 HA ASP 46 5.735 23.237 -4.148 289 HB2 ASP 46 HB2 ASP 46 5.822 20.534 -2.809 290 HB3 ASP 46 HB3 ASP 46 6.688 21.959 -2.237 291 H CYS 47 H CYS 47 6.222 21.860 -6.651 292 HA CYS 47 HA CYS 47 8.603 20.402 -6.669 293 HB2 CYS 47 HB2 CYS 47 7.117 20.514 -8.609 294 HB3 CYS 47 HB3 CYS 47 7.491 22.220 -8.809 295 H HIS 48 H HIS 48 10.707 20.931 -6.818 296 HA HIS 48 HA HIS 48 11.441 23.778 -6.771 297 HB2 HIS 48 HB2 HIS 48 11.281 22.754 -4.435 298 HB3 HIS 48 HB3 HIS 48 12.653 21.753 -4.884 299 HD1 HIS 48 HD1 HIS 48 14.941 22.760 -4.604 300 HD2 HIS 48 HD2 HIS 48 11.893 25.580 -4.348 301 HE1 HIS 48 HE1 HIS 48 16.032 24.878 -3.802 302 HE2 HIS 48 HE2 HIS 48 14.203 26.606 -3.842 303 H CYS 49 H CYS 49 11.677 21.058 -8.407 304 HA CYS 49 HA CYS 49 14.527 21.397 -9.042 305 HB2 CYS 49 HB2 CYS 49 14.394 18.988 -9.795 306 HB3 CYS 49 HB3 CYS 49 14.262 19.251 -8.058 307 H GLU 50 H GLU 50 15.116 20.998 -11.282 308 HA GLU 50 HA GLU 50 13.231 20.627 -13.341 309 HB2 GLU 50 HB2 GLU 50 12.558 22.922 -12.590 310 HB3 GLU 50 HB3 GLU 50 14.158 23.487 -13.045 311 HG2 GLU 50 HG2 GLU 50 13.700 22.732 -15.363 312 HG3 GLU 50 HG3 GLU 50 12.056 22.344 -14.863 313 H ARG 51 H ARG 51 16.189 22.494 -12.648 314 HA ARG 51 HA ARG 51 17.278 21.786 -15.236 315 HB2 ARG 51 HB2 ARG 51 19.152 23.242 -14.620 316 HB3 ARG 51 HB3 ARG 51 17.600 24.044 -14.428 317 HG2 ARG 51 HG2 ARG 51 17.690 23.639 -12.023 318 HG3 ARG 51 HG3 ARG 51 19.253 22.849 -12.217 319 HD2 ARG 51 HD2 ARG 51 20.201 24.923 -13.063 320 HD3 ARG 51 HD3 ARG 51 18.629 25.710 -12.923 321 HE ARG 51 HE ARG 51 18.926 24.988 -10.439 322 HH11 ARG 51 HH11 ARG 51 21.404 26.261 -12.578 323 HH12 ARG 51 HH12 ARG 51 22.332 26.949 -11.293 324 HH21 ARG 51 HH21 ARG 51 20.154 25.894 -8.751 325 HH22 ARG 51 HH22 ARG 51 21.623 26.735 -9.107 326 H SER 52 H SER 52 19.003 20.526 -15.654 327 HA SER 52 HA SER 52 20.313 19.135 -13.430 328 HB2 SER 52 HB2 SER 52 19.377 17.821 -15.989 329 HB3 SER 52 HB3 SER 52 20.208 17.031 -14.648 330 HG SER 52 HG SER 52 17.798 16.922 -14.825 Start of MODEL 7 1 HA ASN 1 HA ASN 1 3.044 4.041 3.694 2 HB2 ASN 1 HB2 ASN 1 1.497 5.248 5.976 3 HB3 ASN 1 HB3 ASN 1 0.839 5.170 4.346 4 HD21 ASN 1 HD21 ASN 1 -0.808 3.805 4.937 5 HD22 ASN 1 HD22 ASN 1 -0.542 2.143 5.341 6 H GLU 2 H GLU 2 4.047 6.809 5.512 7 HA GLU 2 HA GLU 2 3.219 8.778 3.638 8 HB2 GLU 2 HB2 GLU 2 5.566 8.986 5.538 9 HB3 GLU 2 HB3 GLU 2 4.670 10.310 4.814 10 HG2 GLU 2 HG2 GLU 2 3.777 10.307 6.914 11 HG3 GLU 2 HG3 GLU 2 2.650 9.227 6.099 12 H LEU 3 H LEU 3 3.783 8.115 1.609 13 HA LEU 3 HA LEU 3 6.558 7.488 1.048 14 HB2 LEU 3 HB2 LEU 3 4.591 6.142 0.190 15 HB3 LEU 3 HB3 LEU 3 4.246 7.489 -0.875 16 HG LEU 3 HG LEU 3 6.353 7.177 -2.031 17 HD11 LEU 3 HD11 LEU 3 6.836 4.984 -0.020 18 HD12 LEU 3 HD12 LEU 3 7.759 6.478 -0.195 19 HD13 LEU 3 HD13 LEU 3 7.805 5.259 -1.467 20 HD21 LEU 3 HD21 LEU 3 4.421 5.847 -2.748 21 HD22 LEU 3 HD22 LEU 3 4.911 4.554 -1.654 22 HD23 LEU 3 HD23 LEU 3 5.939 4.992 -3.019 23 H ARG 4 H ARG 4 7.885 9.042 0.568 24 HA ARG 4 HA ARG 4 6.861 11.486 -0.688 25 HB2 ARG 4 HB2 ARG 4 8.956 12.552 0.143 26 HB3 ARG 4 HB3 ARG 4 7.911 11.964 1.427 27 HG2 ARG 4 HG2 ARG 4 10.002 10.101 0.490 28 HG3 ARG 4 HG3 ARG 4 10.549 11.538 1.355 29 HD2 ARG 4 HD2 ARG 4 8.394 9.713 2.404 30 HD3 ARG 4 HD3 ARG 4 10.105 9.490 2.776 31 HE ARG 4 HE ARG 4 9.537 12.111 3.381 32 HH11 ARG 4 HH11 ARG 4 8.311 9.000 4.453 33 HH12 ARG 4 HH12 ARG 4 8.035 9.519 6.078 34 HH21 ARG 4 HH21 ARG 4 9.158 12.814 5.526 35 HH22 ARG 4 HH22 ARG 4 8.517 11.706 6.687 36 H CYS 5 H CYS 5 8.390 12.556 -2.192 37 HA CYS 5 HA CYS 5 9.232 10.714 -4.182 38 HB2 CYS 5 HB2 CYS 5 8.268 13.039 -4.536 39 HB3 CYS 5 HB3 CYS 5 9.849 13.662 -4.083 40 H GLY 6 H GLY 6 11.289 10.184 -4.836 41 HA2 GLY 6 HA2 GLY 6 13.307 10.189 -2.801 42 HA3 GLY 6 HA3 GLY 6 13.429 9.536 -4.429 43 H CYS 7 H CYS 7 12.534 12.310 -5.292 44 HA CYS 7 HA CYS 7 15.055 13.251 -6.035 45 HB2 CYS 7 HB2 CYS 7 12.711 13.779 -7.010 46 HB3 CYS 7 HB3 CYS 7 12.678 15.066 -5.813 47 HA PRO 8 HA PRO 8 16.195 14.966 -2.021 48 HB2 PRO 8 HB2 PRO 8 18.580 15.851 -3.523 49 HB3 PRO 8 HB3 PRO 8 18.478 14.829 -2.086 50 HG2 PRO 8 HG2 PRO 8 19.112 13.816 -4.487 51 HG3 PRO 8 HG3 PRO 8 18.146 12.904 -3.314 52 HD2 PRO 8 HD2 PRO 8 17.256 14.377 -5.763 53 HD3 PRO 8 HD3 PRO 8 16.694 12.824 -5.097 54 H ASP 9 H ASP 9 15.699 16.541 -4.992 55 HA ASP 9 HA ASP 9 16.113 19.179 -3.784 56 HB2 ASP 9 HB2 ASP 9 15.869 18.337 -6.669 57 HB3 ASP 9 HB3 ASP 9 15.893 20.016 -6.145 58 H CYS 10 H CYS 10 13.628 17.002 -4.356 59 HA CYS 10 HA CYS 10 11.682 19.161 -4.173 60 HB2 CYS 10 HB2 CYS 10 12.165 18.476 -6.628 61 HB3 CYS 10 HB3 CYS 10 11.230 17.039 -6.240 62 H HIS 11 H HIS 11 9.906 18.642 -3.035 63 HA HIS 11 HA HIS 11 9.666 15.867 -2.110 64 HB2 HIS 11 HB2 HIS 11 8.732 18.442 -0.820 65 HB3 HIS 11 HB3 HIS 11 8.393 16.834 -0.194 66 HD2 HIS 11 HD2 HIS 11 10.571 15.554 1.039 67 HE1 HIS 11 HE1 HIS 11 13.132 18.926 0.919 68 HE2 HIS 11 HE2 HIS 11 12.702 16.683 1.960 69 H CYS 12 H CYS 12 8.386 15.045 -3.675 70 HA CYS 12 HA CYS 12 5.885 16.422 -4.304 71 HB2 CYS 12 HB2 CYS 12 6.929 13.979 -5.678 72 HB3 CYS 12 HB3 CYS 12 5.842 15.213 -6.302 73 H LYS 13 H LYS 13 3.920 15.249 -4.317 74 HA LYS 13 HA LYS 13 3.699 13.307 -2.232 75 HB2 LYS 13 HB2 LYS 13 1.307 13.239 -2.857 76 HB3 LYS 13 HB3 LYS 13 1.888 14.865 -2.537 77 HG2 LYS 13 HG2 LYS 13 1.948 15.376 -4.872 78 HG3 LYS 13 HG3 LYS 13 1.594 13.700 -5.294 79 HD2 LYS 13 HD2 LYS 13 -0.230 15.499 -3.722 80 HD3 LYS 13 HD3 LYS 13 -0.377 15.203 -5.458 81 HE2 LYS 13 HE2 LYS 13 -0.600 12.761 -4.927 82 HE3 LYS 13 HE3 LYS 13 -0.652 13.194 -3.220 83 HZ1 LYS 13 HZ1 LYS 13 -2.581 14.045 -5.303 84 HZ2 LYS 13 HZ2 LYS 13 -2.617 14.547 -3.689 85 HZ3 LYS 13 HZ3 LYS 13 -2.865 12.920 -4.074 86 H VAL 14 H VAL 14 3.822 11.170 -2.432 87 HA VAL 14 HA VAL 14 3.766 10.065 -5.152 88 HB VAL 14 HB VAL 14 5.394 9.071 -2.801 89 HG11 VAL 14 HG11 VAL 14 4.666 7.280 -4.302 90 HG12 VAL 14 HG12 VAL 14 6.406 7.543 -4.392 91 HG13 VAL 14 HG13 VAL 14 5.354 8.152 -5.673 92 HG21 VAL 14 HG21 VAL 14 6.264 11.157 -3.700 93 HG22 VAL 14 HG22 VAL 14 6.256 10.471 -5.325 94 HG23 VAL 14 HG23 VAL 14 7.330 9.808 -4.093 95 H ASP 15 H ASP 15 2.563 8.302 -5.522 96 HA ASP 15 HA ASP 15 0.826 7.428 -3.326 97 HB2 ASP 15 HB2 ASP 15 -0.241 8.437 -5.337 98 HB3 ASP 15 HB3 ASP 15 0.415 7.122 -6.297 99 HA PRO 16 HA PRO 16 2.941 3.515 -3.247 100 HB2 PRO 16 HB2 PRO 16 0.294 2.454 -2.414 101 HB3 PRO 16 HB3 PRO 16 1.861 2.324 -1.608 102 HG2 PRO 16 HG2 PRO 16 -0.012 3.970 -0.676 103 HG3 PRO 16 HG3 PRO 16 1.698 4.436 -0.663 104 HD2 PRO 16 HD2 PRO 16 -0.487 5.297 -2.512 105 HD3 PRO 16 HD3 PRO 16 0.848 6.239 -1.815 106 H GLU 17 H GLU 17 -0.113 3.928 -4.927 107 HA GLU 17 HA GLU 17 0.231 1.417 -6.384 108 HB2 GLU 17 HB2 GLU 17 -2.006 1.888 -5.605 109 HB3 GLU 17 HB3 GLU 17 -1.975 3.483 -6.341 110 HG2 GLU 17 HG2 GLU 17 -1.719 2.269 -8.562 111 HG3 GLU 17 HG3 GLU 17 -2.168 0.811 -7.682 112 H ARG 18 H ARG 18 0.700 4.797 -6.721 113 HA ARG 18 HA ARG 18 1.230 4.488 -9.602 114 HB2 ARG 18 HB2 ARG 18 0.117 6.954 -8.272 115 HB3 ARG 18 HB3 ARG 18 0.302 6.660 -9.996 116 HG2 ARG 18 HG2 ARG 18 -1.486 5.243 -10.095 117 HG3 ARG 18 HG3 ARG 18 -1.373 4.807 -8.390 118 HD2 ARG 18 HD2 ARG 18 -2.014 7.186 -7.895 119 HD3 ARG 18 HD3 ARG 18 -2.426 7.325 -9.606 120 HE ARG 18 HE ARG 18 -3.669 5.046 -8.455 121 HH11 ARG 18 HH11 ARG 18 -3.919 8.533 -8.586 122 HH12 ARG 18 HH12 ARG 18 -5.617 8.556 -8.261 123 HH21 ARG 18 HH21 ARG 18 -5.900 5.067 -8.015 124 HH22 ARG 18 HH22 ARG 18 -6.749 6.570 -7.921 125 H VAL 19 H VAL 19 3.283 4.006 -8.448 126 HA VAL 19 HA VAL 19 4.829 6.478 -8.081 127 HB VAL 19 HB VAL 19 4.650 5.535 -5.908 128 HG11 VAL 19 HG11 VAL 19 3.845 3.334 -6.487 129 HG12 VAL 19 HG12 VAL 19 5.220 3.202 -5.390 130 HG13 VAL 19 HG13 VAL 19 5.432 2.884 -7.113 131 HG21 VAL 19 HG21 VAL 19 6.960 4.867 -5.369 132 HG22 VAL 19 HG22 VAL 19 6.887 6.286 -6.414 133 HG23 VAL 19 HG23 VAL 19 7.297 4.709 -7.093 134 H PHE 20 H PHE 20 6.742 6.631 -9.139 135 HA PHE 20 HA PHE 20 7.507 4.433 -10.896 136 HB2 PHE 20 HB2 PHE 20 8.236 7.338 -10.721 137 HB3 PHE 20 HB3 PHE 20 9.346 6.230 -11.509 138 HD1 PHE 20 HD1 PHE 20 6.105 7.842 -11.683 139 HD2 PHE 20 HD2 PHE 20 8.791 5.209 -13.626 140 HE1 PHE 20 HE1 PHE 20 4.798 8.068 -13.762 141 HE2 PHE 20 HE2 PHE 20 7.506 5.419 -15.713 142 HZ PHE 20 HZ PHE 20 5.503 6.853 -15.783 143 H ASN 21 H ASN 21 8.662 2.922 -9.891 144 HA ASN 21 HA ASN 21 10.499 3.701 -7.776 145 HB2 ASN 21 HB2 ASN 21 9.092 1.765 -7.337 146 HB3 ASN 21 HB3 ASN 21 9.699 0.965 -8.782 147 HD21 ASN 21 HD21 ASN 21 11.769 0.097 -8.772 148 HD22 ASN 21 HD22 ASN 21 12.655 -0.163 -7.313 149 H HIS 22 H HIS 22 12.529 4.061 -8.125 150 HA HIS 22 HA HIS 22 13.964 2.549 -10.140 151 HB2 HIS 22 HB2 HIS 22 13.198 4.506 -11.401 152 HB3 HIS 22 HB3 HIS 22 13.848 5.579 -10.168 153 HD2 HIS 22 HD2 HIS 22 16.401 6.373 -10.629 154 HE1 HIS 22 HE1 HIS 22 17.394 3.463 -13.542 155 HE2 HIS 22 HE2 HIS 22 18.049 5.639 -12.469 156 H ASP 23 H ASP 23 16.044 2.175 -9.558 157 HA ASP 23 HA ASP 23 17.918 2.075 -8.280 158 HB2 ASP 23 HB2 ASP 23 18.022 4.526 -8.902 159 HB3 ASP 23 HB3 ASP 23 17.219 4.887 -7.379 160 H GLY 24 H GLY 24 15.236 1.377 -7.276 161 HA2 GLY 24 HA2 GLY 24 14.431 0.381 -5.367 162 HA3 GLY 24 HA3 GLY 24 15.952 0.768 -4.574 163 H GLU 25 H GLU 25 14.517 3.450 -6.012 164 HA GLU 25 HA GLU 25 13.486 4.319 -3.401 165 HB2 GLU 25 HB2 GLU 25 15.602 5.396 -4.336 166 HB3 GLU 25 HB3 GLU 25 14.568 6.083 -5.576 167 HG2 GLU 25 HG2 GLU 25 13.406 7.401 -4.025 168 HG3 GLU 25 HG3 GLU 25 14.080 6.517 -2.656 169 H ALA 26 H ALA 26 11.736 5.872 -3.509 170 HA ALA 26 HA ALA 26 9.885 5.210 -5.682 171 HB1 ALA 26 HB1 ALA 26 8.130 5.955 -4.128 172 HB2 ALA 26 HB2 ALA 26 9.369 6.333 -2.931 173 HB3 ALA 26 HB3 ALA 26 9.118 4.664 -3.445 174 H TYR 27 H TYR 27 9.042 6.758 -6.990 175 HA TYR 27 HA TYR 27 9.642 9.565 -6.363 176 HB2 TYR 27 HB2 TYR 27 9.994 8.253 -9.058 177 HB3 TYR 27 HB3 TYR 27 10.188 9.967 -8.717 178 HD1 TYR 27 HD1 TYR 27 11.718 6.683 -8.579 179 HD2 TYR 27 HD2 TYR 27 12.112 10.732 -7.345 180 HE1 TYR 27 HE1 TYR 27 14.095 6.303 -8.111 181 HE2 TYR 27 HE2 TYR 27 14.491 10.358 -6.873 182 HH TYR 27 HH TYR 27 15.908 8.320 -6.245 183 H CYS 28 H CYS 28 8.236 11.094 -7.328 184 HA CYS 28 HA CYS 28 5.520 10.336 -7.414 185 HB2 CYS 28 HB2 CYS 28 5.123 12.640 -8.132 186 HB3 CYS 28 HB3 CYS 28 6.288 12.583 -6.813 187 H SER 29 H SER 29 7.839 11.133 -9.944 188 HA SER 29 HA SER 29 6.248 9.714 -11.890 189 HB2 SER 29 HB2 SER 29 5.403 12.075 -11.906 190 HB3 SER 29 HB3 SER 29 7.026 12.606 -12.343 191 HG SER 29 HG SER 29 6.045 12.376 -14.268 192 H GLN 30 H GLN 30 7.491 10.118 -14.106 193 HA GLN 30 HA GLN 30 9.920 8.765 -13.833 194 HB2 GLN 30 HB2 GLN 30 10.156 9.457 -16.327 195 HB3 GLN 30 HB3 GLN 30 8.863 8.369 -15.833 196 HG2 GLN 30 HG2 GLN 30 7.236 10.052 -15.984 197 HG3 GLN 30 HG3 GLN 30 8.452 11.326 -16.050 198 HE21 GLN 30 HE21 GLN 30 9.350 11.866 -17.948 199 HE22 GLN 30 HE22 GLN 30 8.864 11.191 -19.471 200 H ALA 31 H ALA 31 9.224 12.193 -14.400 201 HA ALA 31 HA ALA 31 11.685 13.198 -15.072 202 HB1 ALA 31 HB1 ALA 31 9.724 14.477 -13.176 203 HB2 ALA 31 HB2 ALA 31 9.644 14.541 -14.937 204 HB3 ALA 31 HB3 ALA 31 10.985 15.307 -14.085 205 H CYS 32 H CYS 32 10.533 13.036 -11.683 206 HA CYS 32 HA CYS 32 13.081 13.641 -10.606 207 HB2 CYS 32 HB2 CYS 32 10.594 12.451 -9.385 208 HB3 CYS 32 HB3 CYS 32 12.041 12.793 -8.451 209 H ALA 33 H ALA 33 11.506 10.689 -11.495 210 HA ALA 33 HA ALA 33 13.002 8.866 -9.953 211 HB1 ALA 33 HB1 ALA 33 12.147 7.145 -11.432 212 HB2 ALA 33 HB2 ALA 33 11.671 8.364 -12.613 213 HB3 ALA 33 HB3 ALA 33 10.871 8.299 -11.043 214 H GLU 34 H GLU 34 13.392 9.999 -13.247 215 HA GLU 34 HA GLU 34 15.818 8.477 -13.652 216 HB2 GLU 34 HB2 GLU 34 14.430 10.524 -15.384 217 HB3 GLU 34 HB3 GLU 34 15.832 9.586 -15.872 218 HG2 GLU 34 HG2 GLU 34 13.197 8.379 -15.071 219 HG3 GLU 34 HG3 GLU 34 13.655 8.749 -16.731 220 H GLN 35 H GLN 35 15.253 11.075 -11.866 221 HA GLN 35 HA GLN 35 16.521 12.695 -10.934 222 HB2 GLN 35 HB2 GLN 35 18.762 11.396 -12.490 223 HB3 GLN 35 HB3 GLN 35 18.985 12.660 -11.287 224 HG2 GLN 35 HG2 GLN 35 17.753 9.968 -10.751 225 HG3 GLN 35 HG3 GLN 35 19.425 10.407 -10.411 226 HE21 GLN 35 HE21 GLN 35 17.291 9.543 -8.607 227 HE22 GLN 35 HE22 GLN 35 17.131 10.793 -7.427 228 H HIS 36 H HIS 36 15.262 12.885 -13.625 229 HA HIS 36 HA HIS 36 14.872 14.425 -15.239 230 HB2 HIS 36 HB2 HIS 36 16.570 16.321 -13.600 231 HB3 HIS 36 HB3 HIS 36 15.367 16.755 -14.804 232 HD1 HIS 36 HD1 HIS 36 13.118 17.330 -13.877 233 HD2 HIS 36 HD2 HIS 36 15.292 14.925 -11.286 234 HE1 HIS 36 HE1 HIS 36 11.794 17.248 -11.742 235 HA PRO 37 HA PRO 37 19.091 13.912 -17.123 236 HB2 PRO 37 HB2 PRO 37 18.522 12.046 -18.965 237 HB3 PRO 37 HB3 PRO 37 18.872 11.613 -17.287 238 HG2 PRO 37 HG2 PRO 37 16.235 11.832 -18.678 239 HG3 PRO 37 HG3 PRO 37 16.792 10.611 -17.521 240 HD2 PRO 37 HD2 PRO 37 15.183 12.742 -16.859 241 HD3 PRO 37 HD3 PRO 37 16.245 11.906 -15.713 242 H ASN 38 H ASN 38 15.884 14.385 -18.413 243 HA ASN 38 HA ASN 38 16.962 15.498 -20.897 244 HB2 ASN 38 HB2 ASN 38 14.143 14.800 -20.093 245 HB3 ASN 38 HB3 ASN 38 14.562 15.600 -21.605 246 HD21 ASN 38 HD21 ASN 38 15.935 14.503 -23.057 247 HD22 ASN 38 HD22 ASN 38 15.985 12.779 -23.083 248 H GLY 39 H GLY 39 15.887 16.475 -17.871 249 HA2 GLY 39 HA2 GLY 39 16.038 18.710 -17.112 250 HA3 GLY 39 HA3 GLY 39 15.824 19.262 -18.769 251 H GLU 40 H GLU 40 13.699 16.825 -18.125 252 HA GLU 40 HA GLU 40 11.428 18.528 -18.162 253 HB2 GLU 40 HB2 GLU 40 11.254 16.408 -19.234 254 HB3 GLU 40 HB3 GLU 40 11.799 15.564 -17.798 255 HG2 GLU 40 HG2 GLU 40 9.721 16.248 -16.658 256 HG3 GLU 40 HG3 GLU 40 9.160 16.946 -18.180 257 HA PRO 41 HA PRO 41 11.258 18.942 -13.666 258 HB2 PRO 41 HB2 PRO 41 8.843 20.510 -14.091 259 HB3 PRO 41 HB3 PRO 41 10.416 21.054 -13.508 260 HG2 PRO 41 HG2 PRO 41 9.393 21.757 -15.938 261 HG3 PRO 41 HG3 PRO 41 11.130 21.651 -15.603 262 HD2 PRO 41 HD2 PRO 41 9.344 19.701 -16.998 263 HD3 PRO 41 HD3 PRO 41 11.013 20.186 -17.375 264 H CYS 42 H CYS 42 9.727 18.248 -12.020 265 HA CYS 42 HA CYS 42 8.088 16.094 -12.984 266 HB2 CYS 42 HB2 CYS 42 7.779 15.566 -10.610 267 HB3 CYS 42 HB3 CYS 42 9.480 15.817 -10.985 268 HA PRO 43 HA PRO 43 4.263 18.292 -12.956 269 HB2 PRO 43 HB2 PRO 43 2.496 16.305 -12.585 270 HB3 PRO 43 HB3 PRO 43 3.458 16.427 -14.064 271 HG2 PRO 43 HG2 PRO 43 3.894 14.693 -11.661 272 HG3 PRO 43 HG3 PRO 43 4.021 14.275 -13.380 273 HD2 PRO 43 HD2 PRO 43 6.178 14.855 -11.816 274 HD3 PRO 43 HD3 PRO 43 6.135 15.150 -13.564 275 H ALA 44 H ALA 44 5.694 17.908 -10.272 276 HA ALA 44 HA ALA 44 3.552 17.618 -8.379 277 HB1 ALA 44 HB1 ALA 44 5.822 16.901 -7.815 278 HB2 ALA 44 HB2 ALA 44 5.247 18.144 -6.704 279 HB3 ALA 44 HB3 ALA 44 6.389 18.563 -7.981 280 HA PRO 45 HA PRO 45 2.214 21.847 -8.615 281 HB2 PRO 45 HB2 PRO 45 0.835 21.939 -6.280 282 HB3 PRO 45 HB3 PRO 45 0.228 21.085 -7.705 283 HG2 PRO 45 HG2 PRO 45 1.709 19.986 -5.339 284 HG3 PRO 45 HG3 PRO 45 0.220 19.374 -6.096 285 HD2 PRO 45 HD2 PRO 45 2.592 18.275 -6.619 286 HD3 PRO 45 HD3 PRO 45 1.380 18.477 -7.903 287 H ASP 46 H ASP 46 3.985 20.526 -5.935 288 HA ASP 46 HA ASP 46 4.768 23.225 -5.058 289 HB2 ASP 46 HB2 ASP 46 3.686 21.720 -3.353 290 HB3 ASP 46 HB3 ASP 46 5.035 20.610 -3.541 291 H CYS 47 H CYS 47 5.794 21.759 -7.368 292 HA CYS 47 HA CYS 47 8.206 20.466 -6.999 293 HB2 CYS 47 HB2 CYS 47 7.113 20.608 -9.173 294 HB3 CYS 47 HB3 CYS 47 7.467 22.331 -9.256 295 H HIS 48 H HIS 48 10.302 21.017 -6.765 296 HA HIS 48 HA HIS 48 11.096 23.812 -6.624 297 HB2 HIS 48 HB2 HIS 48 10.118 23.189 -4.379 298 HB3 HIS 48 HB3 HIS 48 11.397 21.997 -4.216 299 HD1 HIS 48 HD1 HIS 48 13.284 22.796 -2.863 300 HD2 HIS 48 HD2 HIS 48 11.352 25.930 -4.773 301 HE1 HIS 48 HE1 HIS 48 14.439 24.871 -2.070 302 HE2 HIS 48 HE2 HIS 48 13.432 26.710 -3.448 303 H CYS 49 H CYS 49 11.706 21.146 -8.049 304 HA CYS 49 HA CYS 49 14.167 20.103 -7.322 305 HB2 CYS 49 HB2 CYS 49 13.108 20.449 -10.132 306 HB3 CYS 49 HB3 CYS 49 14.383 19.346 -9.641 307 H GLU 50 H GLU 50 13.611 22.595 -9.816 308 HA GLU 50 HA GLU 50 14.836 24.352 -10.558 309 HB2 GLU 50 HB2 GLU 50 14.971 24.899 -8.117 310 HB3 GLU 50 HB3 GLU 50 16.498 24.036 -8.049 311 HG2 GLU 50 HG2 GLU 50 17.402 25.624 -9.733 312 HG3 GLU 50 HG3 GLU 50 15.892 26.526 -9.624 313 H ARG 51 H ARG 51 15.968 21.325 -10.593 314 HA ARG 51 HA ARG 51 18.671 21.952 -11.364 315 HB2 ARG 51 HB2 ARG 51 19.010 19.537 -11.462 316 HB3 ARG 51 HB3 ARG 51 18.336 19.995 -9.907 317 HG2 ARG 51 HG2 ARG 51 16.221 19.120 -10.454 318 HG3 ARG 51 HG3 ARG 51 16.636 18.982 -12.162 319 HD2 ARG 51 HD2 ARG 51 16.695 16.797 -11.153 320 HD3 ARG 51 HD3 ARG 51 18.332 17.287 -11.575 321 HE ARG 51 HE ARG 51 17.811 17.981 -8.893 322 HH11 ARG 51 HH11 ARG 51 18.379 15.176 -10.915 323 HH12 ARG 51 HH12 ARG 51 18.986 14.202 -9.621 324 HH21 ARG 51 HH21 ARG 51 18.642 16.711 -7.176 325 HH22 ARG 51 HH22 ARG 51 19.174 15.085 -7.498 326 H SER 52 H SER 52 19.438 21.139 -13.353 327 HA SER 52 HA SER 52 19.448 20.921 -15.513 328 HB2 SER 52 HB2 SER 52 16.569 20.064 -15.319 329 HB3 SER 52 HB3 SER 52 17.633 19.816 -16.706 330 HG SER 52 HG SER 52 18.961 18.827 -14.725 Start of MODEL 8 1 HA ASN 1 HA ASN 1 4.008 4.147 5.716 2 HB2 ASN 1 HB2 ASN 1 4.360 2.781 3.036 3 HB3 ASN 1 HB3 ASN 1 5.670 3.523 3.946 4 HD21 ASN 1 HD21 ASN 1 5.258 0.748 3.120 5 HD22 ASN 1 HD22 ASN 1 5.312 -0.184 4.574 6 H GLU 2 H GLU 2 4.854 6.131 5.416 7 HA GLU 2 HA GLU 2 3.580 7.957 3.664 8 HB2 GLU 2 HB2 GLU 2 6.141 8.197 5.264 9 HB3 GLU 2 HB3 GLU 2 5.412 9.525 4.384 10 HG2 GLU 2 HG2 GLU 2 4.854 9.745 6.694 11 HG3 GLU 2 HG3 GLU 2 3.394 9.301 5.815 12 H LEU 3 H LEU 3 3.797 7.402 1.532 13 HA LEU 3 HA LEU 3 6.319 6.571 0.482 14 HB2 LEU 3 HB2 LEU 3 3.990 5.855 -0.311 15 HB3 LEU 3 HB3 LEU 3 3.935 7.393 -1.149 16 HG LEU 3 HG LEU 3 5.785 6.780 -2.554 17 HD11 LEU 3 HD11 LEU 3 5.965 4.299 -0.847 18 HD12 LEU 3 HD12 LEU 3 7.170 5.584 -0.986 19 HD13 LEU 3 HD13 LEU 3 6.829 4.541 -2.364 20 HD21 LEU 3 HD21 LEU 3 4.837 4.860 -3.718 21 HD22 LEU 3 HD22 LEU 3 3.568 5.971 -3.207 22 HD23 LEU 3 HD23 LEU 3 3.849 4.480 -2.308 23 H ARG 4 H ARG 4 7.887 7.858 0.066 24 HA ARG 4 HA ARG 4 7.407 10.730 -0.325 25 HB2 ARG 4 HB2 ARG 4 9.678 11.018 0.481 26 HB3 ARG 4 HB3 ARG 4 8.800 9.981 1.605 27 HG2 ARG 4 HG2 ARG 4 9.807 8.002 0.528 28 HG3 ARG 4 HG3 ARG 4 10.736 9.070 -0.518 29 HD2 ARG 4 HD2 ARG 4 11.746 10.059 1.540 30 HD3 ARG 4 HD3 ARG 4 10.922 8.804 2.470 31 HE ARG 4 HE ARG 4 12.432 7.664 0.346 32 HH11 ARG 4 HH11 ARG 4 12.785 9.031 3.569 33 HH12 ARG 4 HH12 ARG 4 14.279 8.213 3.877 34 HH21 ARG 4 HH21 ARG 4 14.398 6.596 0.761 35 HH22 ARG 4 HH22 ARG 4 15.194 6.818 2.288 36 H CYS 5 H CYS 5 8.748 11.870 -1.847 37 HA CYS 5 HA CYS 5 9.438 10.337 -4.193 38 HB2 CYS 5 HB2 CYS 5 8.226 12.618 -4.167 39 HB3 CYS 5 HB3 CYS 5 9.804 13.308 -3.810 40 H GLY 6 H GLY 6 11.500 9.978 -4.881 41 HA2 GLY 6 HA2 GLY 6 13.592 9.953 -2.973 42 HA3 GLY 6 HA3 GLY 6 13.732 9.595 -4.686 43 H CYS 7 H CYS 7 12.620 12.334 -5.216 44 HA CYS 7 HA CYS 7 15.080 13.628 -5.616 45 HB2 CYS 7 HB2 CYS 7 12.455 14.011 -6.452 46 HB3 CYS 7 HB3 CYS 7 12.824 15.454 -5.513 47 HA PRO 8 HA PRO 8 15.398 15.070 -1.382 48 HB2 PRO 8 HB2 PRO 8 17.942 15.971 -1.538 49 HB3 PRO 8 HB3 PRO 8 17.548 14.255 -1.397 50 HG2 PRO 8 HG2 PRO 8 18.292 15.832 -3.828 51 HG3 PRO 8 HG3 PRO 8 18.795 14.199 -3.355 52 HD2 PRO 8 HD2 PRO 8 16.833 14.703 -5.192 53 HD3 PRO 8 HD3 PRO 8 16.881 13.235 -4.191 54 H ASP 9 H ASP 9 15.799 16.924 -4.283 55 HA ASP 9 HA ASP 9 15.916 19.428 -2.780 56 HB2 ASP 9 HB2 ASP 9 17.432 19.103 -4.728 57 HB3 ASP 9 HB3 ASP 9 16.021 19.022 -5.777 58 H CYS 10 H CYS 10 13.567 17.413 -4.073 59 HA CYS 10 HA CYS 10 11.629 19.623 -4.075 60 HB2 CYS 10 HB2 CYS 10 12.220 18.813 -6.408 61 HB3 CYS 10 HB3 CYS 10 11.490 17.274 -5.970 62 H HIS 11 H HIS 11 9.539 19.074 -3.330 63 HA HIS 11 HA HIS 11 9.370 16.449 -2.013 64 HB2 HIS 11 HB2 HIS 11 9.673 18.390 -0.422 65 HB3 HIS 11 HB3 HIS 11 8.114 18.994 -0.966 66 HD2 HIS 11 HD2 HIS 11 9.515 15.862 0.979 67 HE1 HIS 11 HE1 HIS 11 5.410 16.357 1.908 68 HE2 HIS 11 HE2 HIS 11 7.449 14.929 2.223 69 H CYS 12 H CYS 12 8.096 15.359 -3.382 70 HA CYS 12 HA CYS 12 5.638 16.656 -4.356 71 HB2 CYS 12 HB2 CYS 12 6.742 14.107 -5.450 72 HB3 CYS 12 HB3 CYS 12 5.761 15.330 -6.252 73 H LYS 13 H LYS 13 3.861 15.035 -4.787 74 HA LYS 13 HA LYS 13 3.524 13.311 -2.469 75 HB2 LYS 13 HB2 LYS 13 1.143 13.199 -3.246 76 HB3 LYS 13 HB3 LYS 13 1.691 14.798 -2.777 77 HG2 LYS 13 HG2 LYS 13 1.811 15.528 -5.020 78 HG3 LYS 13 HG3 LYS 13 1.648 13.883 -5.638 79 HD2 LYS 13 HD2 LYS 13 -0.471 15.240 -4.005 80 HD3 LYS 13 HD3 LYS 13 -0.421 15.331 -5.768 81 HE2 LYS 13 HE2 LYS 13 -0.595 12.913 -5.918 82 HE3 LYS 13 HE3 LYS 13 -0.543 12.774 -4.164 83 HZ1 LYS 13 HZ1 LYS 13 -2.802 12.610 -5.034 84 HZ2 LYS 13 HZ2 LYS 13 -2.669 14.149 -5.708 85 HZ3 LYS 13 HZ3 LYS 13 -2.628 13.960 -4.030 86 H VAL 14 H VAL 14 3.951 11.207 -2.701 87 HA VAL 14 HA VAL 14 3.958 10.129 -5.420 88 HB VAL 14 HB VAL 14 5.209 8.938 -2.947 89 HG11 VAL 14 HG11 VAL 14 4.660 7.298 -4.669 90 HG12 VAL 14 HG12 VAL 14 6.405 7.523 -4.546 91 HG13 VAL 14 HG13 VAL 14 5.511 8.266 -5.872 92 HG21 VAL 14 HG21 VAL 14 6.441 10.504 -5.195 93 HG22 VAL 14 HG22 VAL 14 7.321 9.709 -3.888 94 HG23 VAL 14 HG23 VAL 14 6.238 11.056 -3.533 95 H ASP 15 H ASP 15 2.526 8.727 -6.043 96 HA ASP 15 HA ASP 15 0.473 7.878 -4.160 97 HB2 ASP 15 HB2 ASP 15 0.035 8.887 -6.512 98 HB3 ASP 15 HB3 ASP 15 0.521 7.312 -7.102 99 HA PRO 16 HA PRO 16 2.135 3.758 -3.837 100 HB2 PRO 16 HB2 PRO 16 -0.193 2.466 -3.148 101 HB3 PRO 16 HB3 PRO 16 0.802 3.378 -2.009 102 HG2 PRO 16 HG2 PRO 16 -1.685 4.214 -3.446 103 HG3 PRO 16 HG3 PRO 16 -1.202 4.518 -1.766 104 HD2 PRO 16 HD2 PRO 16 -0.982 6.399 -3.677 105 HD3 PRO 16 HD3 PRO 16 0.190 6.266 -2.350 106 H GLU 17 H GLU 17 -0.478 4.658 -5.951 107 HA GLU 17 HA GLU 17 -0.327 2.117 -7.393 108 HB2 GLU 17 HB2 GLU 17 -2.560 2.918 -6.810 109 HB3 GLU 17 HB3 GLU 17 -2.237 4.460 -7.577 110 HG2 GLU 17 HG2 GLU 17 -1.995 3.219 -9.738 111 HG3 GLU 17 HG3 GLU 17 -2.582 1.785 -8.894 112 H ARG 18 H ARG 18 0.605 5.427 -7.486 113 HA ARG 18 HA ARG 18 1.629 5.076 -10.204 114 HB2 ARG 18 HB2 ARG 18 0.406 7.607 -9.069 115 HB3 ARG 18 HB3 ARG 18 1.267 7.515 -10.597 116 HG2 ARG 18 HG2 ARG 18 -0.864 7.294 -11.374 117 HG3 ARG 18 HG3 ARG 18 -0.475 5.607 -11.033 118 HD2 ARG 18 HD2 ARG 18 -2.626 5.988 -10.149 119 HD3 ARG 18 HD3 ARG 18 -1.504 5.881 -8.797 120 HE ARG 18 HE ARG 18 -1.611 8.513 -9.187 121 HH11 ARG 18 HH11 ARG 18 -4.160 6.108 -9.025 122 HH12 ARG 18 HH12 ARG 18 -5.320 7.197 -8.341 123 HH21 ARG 18 HH21 ARG 18 -3.161 9.965 -8.271 124 HH22 ARG 18 HH22 ARG 18 -4.749 9.391 -7.910 125 H VAL 19 H VAL 19 3.399 4.314 -8.821 126 HA VAL 19 HA VAL 19 5.147 6.572 -8.129 127 HB VAL 19 HB VAL 19 4.607 5.552 -6.046 128 HG11 VAL 19 HG11 VAL 19 5.243 2.907 -7.330 129 HG12 VAL 19 HG12 VAL 19 3.657 3.481 -6.802 130 HG13 VAL 19 HG13 VAL 19 4.922 3.150 -5.614 131 HG21 VAL 19 HG21 VAL 19 7.276 4.488 -6.954 132 HG22 VAL 19 HG22 VAL 19 6.751 4.637 -5.278 133 HG23 VAL 19 HG23 VAL 19 6.960 6.083 -6.269 134 H PHE 20 H PHE 20 7.202 6.527 -8.878 135 HA PHE 20 HA PHE 20 7.942 4.275 -10.615 136 HB2 PHE 20 HB2 PHE 20 8.557 7.194 -10.670 137 HB3 PHE 20 HB3 PHE 20 9.747 6.080 -11.322 138 HD1 PHE 20 HD1 PHE 20 6.535 7.651 -11.806 139 HD2 PHE 20 HD2 PHE 20 9.186 4.679 -13.267 140 HE1 PHE 20 HE1 PHE 20 5.286 7.590 -13.926 141 HE2 PHE 20 HE2 PHE 20 7.950 4.609 -15.390 142 HZ PHE 20 HZ PHE 20 6.001 6.067 -15.722 143 H ASN 21 H ASN 21 9.271 2.881 -9.690 144 HA ASN 21 HA ASN 21 10.956 3.726 -7.476 145 HB2 ASN 21 HB2 ASN 21 9.701 1.601 -7.309 146 HB3 ASN 21 HB3 ASN 21 10.583 0.981 -8.700 147 HD21 ASN 21 HD21 ASN 21 12.759 0.406 -8.461 148 HD22 ASN 21 HD22 ASN 21 13.468 0.158 -6.909 149 H HIS 22 H HIS 22 13.006 4.261 -7.698 150 HA HIS 22 HA HIS 22 14.533 3.083 -9.885 151 HB2 HIS 22 HB2 HIS 22 13.883 5.231 -10.791 152 HB3 HIS 22 HB3 HIS 22 14.395 6.058 -9.328 153 HD2 HIS 22 HD2 HIS 22 17.133 6.598 -9.166 154 HE1 HIS 22 HE1 HIS 22 18.139 5.009 -12.965 155 HE2 HIS 22 HE2 HIS 22 19.003 6.159 -10.910 156 H ASP 23 H ASP 23 16.268 2.205 -9.159 157 HA ASP 23 HA ASP 23 18.095 1.676 -7.963 158 HB2 ASP 23 HB2 ASP 23 18.573 4.159 -8.488 159 HB3 ASP 23 HB3 ASP 23 18.154 4.454 -6.804 160 H GLY 24 H GLY 24 15.322 1.661 -6.775 161 HA2 GLY 24 HA2 GLY 24 14.764 0.406 -4.834 162 HA3 GLY 24 HA3 GLY 24 16.219 1.009 -4.060 163 H GLU 25 H GLU 25 15.095 3.711 -5.369 164 HA GLU 25 HA GLU 25 13.546 4.366 -2.965 165 HB2 GLU 25 HB2 GLU 25 15.651 5.669 -3.583 166 HB3 GLU 25 HB3 GLU 25 14.727 6.305 -4.936 167 HG2 GLU 25 HG2 GLU 25 14.771 7.852 -3.050 168 HG3 GLU 25 HG3 GLU 25 13.136 7.317 -3.437 169 H ALA 26 H ALA 26 11.704 5.768 -3.213 170 HA ALA 26 HA ALA 26 10.186 5.087 -5.620 171 HB1 ALA 26 HB1 ALA 26 8.206 5.657 -4.310 172 HB2 ALA 26 HB2 ALA 26 9.230 6.161 -2.965 173 HB3 ALA 26 HB3 ALA 26 9.196 4.471 -3.464 174 H TYR 27 H TYR 27 9.111 6.669 -6.815 175 HA TYR 27 HA TYR 27 9.741 9.464 -6.187 176 HB2 TYR 27 HB2 TYR 27 10.176 8.094 -8.840 177 HB3 TYR 27 HB3 TYR 27 10.182 9.838 -8.624 178 HD1 TYR 27 HD1 TYR 27 12.015 6.718 -7.998 179 HD2 TYR 27 HD2 TYR 27 12.042 10.942 -7.557 180 HE1 TYR 27 HE1 TYR 27 14.421 6.650 -7.485 181 HE2 TYR 27 HE2 TYR 27 14.440 10.884 -7.058 182 HH TYR 27 HH TYR 27 16.088 9.266 -6.161 183 H CYS 28 H CYS 28 8.285 10.987 -7.063 184 HA CYS 28 HA CYS 28 5.596 10.158 -7.135 185 HB2 CYS 28 HB2 CYS 28 5.083 12.463 -7.659 186 HB3 CYS 28 HB3 CYS 28 6.384 12.415 -6.469 187 H SER 29 H SER 29 7.845 11.084 -9.683 188 HA SER 29 HA SER 29 6.234 9.615 -11.598 189 HB2 SER 29 HB2 SER 29 5.636 12.148 -11.608 190 HB3 SER 29 HB3 SER 29 7.234 12.350 -12.338 191 HG SER 29 HG SER 29 5.216 11.955 -13.718 192 H GLN 30 H GLN 30 7.537 9.870 -13.823 193 HA GLN 30 HA GLN 30 10.033 8.621 -13.273 194 HB2 GLN 30 HB2 GLN 30 10.244 8.254 -15.604 195 HB3 GLN 30 HB3 GLN 30 8.550 8.039 -15.204 196 HG2 GLN 30 HG2 GLN 30 9.711 10.536 -16.385 197 HG3 GLN 30 HG3 GLN 30 8.966 9.248 -17.336 198 HE21 GLN 30 HE21 GLN 30 8.516 12.060 -15.502 199 HE22 GLN 30 HE22 GLN 30 6.790 12.107 -15.551 200 H ALA 31 H ALA 31 9.091 11.848 -13.655 201 HA ALA 31 HA ALA 31 11.364 12.965 -14.861 202 HB1 ALA 31 HB1 ALA 31 9.508 14.185 -12.819 203 HB2 ALA 31 HB2 ALA 31 9.304 14.223 -14.571 204 HB3 ALA 31 HB3 ALA 31 10.655 15.073 -13.822 205 H CYS 32 H CYS 32 10.544 12.898 -11.372 206 HA CYS 32 HA CYS 32 13.135 13.636 -10.546 207 HB2 CYS 32 HB2 CYS 32 10.952 12.208 -8.999 208 HB3 CYS 32 HB3 CYS 32 12.383 12.941 -8.287 209 H ALA 33 H ALA 33 11.634 10.578 -11.229 210 HA ALA 33 HA ALA 33 13.374 8.843 -9.862 211 HB1 ALA 33 HB1 ALA 33 12.462 7.078 -11.226 212 HB2 ALA 33 HB2 ALA 33 11.853 8.250 -12.392 213 HB3 ALA 33 HB3 ALA 33 11.170 8.190 -10.768 214 H GLU 34 H GLU 34 13.394 9.905 -13.216 215 HA GLU 34 HA GLU 34 15.868 8.506 -13.763 216 HB2 GLU 34 HB2 GLU 34 14.264 10.403 -15.482 217 HB3 GLU 34 HB3 GLU 34 15.647 9.469 -16.026 218 HG2 GLU 34 HG2 GLU 34 13.048 8.322 -15.027 219 HG3 GLU 34 HG3 GLU 34 13.517 8.486 -16.716 220 H GLN 35 H GLN 35 15.313 11.116 -12.029 221 HA GLN 35 HA GLN 35 16.483 12.912 -11.334 222 HB2 GLN 35 HB2 GLN 35 18.723 11.704 -12.953 223 HB3 GLN 35 HB3 GLN 35 18.903 13.022 -11.808 224 HG2 GLN 35 HG2 GLN 35 18.237 11.580 -9.988 225 HG3 GLN 35 HG3 GLN 35 17.938 10.259 -11.118 226 HE21 GLN 35 HE21 GLN 35 20.340 12.159 -9.496 227 HE22 GLN 35 HE22 GLN 35 21.682 11.142 -9.876 228 H HIS 36 H HIS 36 14.930 12.944 -13.766 229 HA HIS 36 HA HIS 36 14.329 14.346 -15.462 230 HB2 HIS 36 HB2 HIS 36 15.991 16.444 -14.057 231 HB3 HIS 36 HB3 HIS 36 14.558 16.685 -15.047 232 HD1 HIS 36 HD1 HIS 36 12.480 17.054 -13.741 233 HD2 HIS 36 HD2 HIS 36 15.277 14.870 -11.585 234 HE1 HIS 36 HE1 HIS 36 11.482 16.729 -11.459 235 HA PRO 37 HA PRO 37 18.524 13.818 -17.518 236 HB2 PRO 37 HB2 PRO 37 17.585 12.307 -19.589 237 HB3 PRO 37 HB3 PRO 37 18.153 11.624 -18.061 238 HG2 PRO 37 HG2 PRO 37 15.356 12.182 -18.966 239 HG3 PRO 37 HG3 PRO 37 15.994 10.763 -18.115 240 HD2 PRO 37 HD2 PRO 37 14.650 12.699 -16.825 241 HD3 PRO 37 HD3 PRO 37 16.002 11.836 -16.069 242 H ASN 38 H ASN 38 15.342 14.698 -18.719 243 HA ASN 38 HA ASN 38 16.591 16.150 -20.939 244 HB2 ASN 38 HB2 ASN 38 14.645 14.551 -21.348 245 HB3 ASN 38 HB3 ASN 38 13.631 15.735 -20.532 246 HD21 ASN 38 HD21 ASN 38 16.345 16.442 -22.672 247 HD22 ASN 38 HD22 ASN 38 15.404 17.195 -23.906 248 H GLY 39 H GLY 39 15.624 16.681 -17.835 249 HA2 GLY 39 HA2 GLY 39 15.811 18.752 -16.743 250 HA3 GLY 39 HA3 GLY 39 15.594 19.562 -18.287 251 H GLU 40 H GLU 40 13.350 17.156 -18.023 252 HA GLU 40 HA GLU 40 11.184 18.963 -17.817 253 HB2 GLU 40 HB2 GLU 40 10.893 16.999 -19.146 254 HB3 GLU 40 HB3 GLU 40 11.325 15.953 -17.802 255 HG2 GLU 40 HG2 GLU 40 9.287 16.806 -16.622 256 HG3 GLU 40 HG3 GLU 40 8.813 17.559 -18.147 257 HA PRO 41 HA PRO 41 10.990 18.866 -13.291 258 HB2 PRO 41 HB2 PRO 41 8.646 20.594 -13.657 259 HB3 PRO 41 HB3 PRO 41 10.173 20.951 -12.846 260 HG2 PRO 41 HG2 PRO 41 9.493 22.093 -15.195 261 HG3 PRO 41 HG3 PRO 41 11.173 21.717 -14.774 262 HD2 PRO 41 HD2 PRO 41 9.281 20.213 -16.546 263 HD3 PRO 41 HD3 PRO 41 11.007 20.571 -16.778 264 H CYS 42 H CYS 42 9.294 18.230 -11.748 265 HA CYS 42 HA CYS 42 7.586 16.190 -12.913 266 HB2 CYS 42 HB2 CYS 42 7.296 15.546 -10.516 267 HB3 CYS 42 HB3 CYS 42 8.977 15.571 -11.049 268 HA PRO 43 HA PRO 43 3.785 18.429 -12.244 269 HB2 PRO 43 HB2 PRO 43 2.026 16.502 -11.623 270 HB3 PRO 43 HB3 PRO 43 2.772 16.594 -13.223 271 HG2 PRO 43 HG2 PRO 43 3.483 14.839 -10.904 272 HG3 PRO 43 HG3 PRO 43 3.346 14.421 -12.622 273 HD2 PRO 43 HD2 PRO 43 5.721 14.916 -11.382 274 HD3 PRO 43 HD3 PRO 43 5.443 15.208 -13.107 275 H ALA 44 H ALA 44 5.559 18.233 -9.836 276 HA ALA 44 HA ALA 44 3.996 17.769 -7.517 277 HB1 ALA 44 HB1 ALA 44 6.447 17.798 -7.481 278 HB2 ALA 44 HB2 ALA 44 5.787 18.963 -6.334 279 HB3 ALA 44 HB3 ALA 44 6.437 19.516 -7.877 280 HA PRO 45 HA PRO 45 1.347 21.273 -6.897 281 HB2 PRO 45 HB2 PRO 45 2.941 21.950 -4.465 282 HB3 PRO 45 HB3 PRO 45 1.192 21.777 -4.648 283 HG2 PRO 45 HG2 PRO 45 2.632 19.856 -3.504 284 HG3 PRO 45 HG3 PRO 45 1.279 19.461 -4.579 285 HD2 PRO 45 HD2 PRO 45 4.208 19.283 -5.064 286 HD3 PRO 45 HD3 PRO 45 2.894 18.274 -5.700 287 H ASP 46 H ASP 46 4.454 22.414 -5.541 288 HA ASP 46 HA ASP 46 4.353 24.609 -7.508 289 HB2 ASP 46 HB2 ASP 46 5.415 24.629 -4.681 290 HB3 ASP 46 HB3 ASP 46 5.762 25.899 -5.848 291 H CYS 47 H CYS 47 6.014 21.913 -6.406 292 HA CYS 47 HA CYS 47 7.930 20.883 -7.040 293 HB2 CYS 47 HB2 CYS 47 6.858 21.282 -9.240 294 HB3 CYS 47 HB3 CYS 47 7.755 22.786 -9.378 295 H HIS 48 H HIS 48 10.286 21.577 -8.159 296 HA HIS 48 HA HIS 48 11.357 24.096 -7.486 297 HB2 HIS 48 HB2 HIS 48 10.998 23.176 -5.160 298 HB3 HIS 48 HB3 HIS 48 12.199 21.944 -5.537 299 HD1 HIS 48 HD1 HIS 48 14.694 22.683 -5.607 300 HD2 HIS 48 HD2 HIS 48 12.011 25.768 -4.786 301 HE1 HIS 48 HE1 HIS 48 16.087 24.621 -4.851 302 HE2 HIS 48 HE2 HIS 48 14.468 26.524 -4.593 303 H CYS 49 H CYS 49 11.875 20.693 -8.180 304 HA CYS 49 HA CYS 49 14.668 21.026 -8.690 305 HB2 CYS 49 HB2 CYS 49 14.446 18.655 -9.580 306 HB3 CYS 49 HB3 CYS 49 14.084 18.919 -7.876 307 H GLU 50 H GLU 50 14.786 22.620 -10.255 308 HA GLU 50 HA GLU 50 13.939 21.854 -12.963 309 HB2 GLU 50 HB2 GLU 50 15.135 24.432 -11.931 310 HB3 GLU 50 HB3 GLU 50 14.643 24.140 -13.588 311 HG2 GLU 50 HG2 GLU 50 12.329 23.869 -12.843 312 HG3 GLU 50 HG3 GLU 50 12.838 24.202 -11.186 313 H ARG 51 H ARG 51 16.589 22.020 -10.857 314 HA ARG 51 HA ARG 51 18.598 21.931 -12.952 315 HB2 ARG 51 HB2 ARG 51 20.188 21.915 -11.003 316 HB3 ARG 51 HB3 ARG 51 19.175 23.342 -11.135 317 HG2 ARG 51 HG2 ARG 51 17.694 22.454 -9.401 318 HG3 ARG 51 HG3 ARG 51 18.723 21.025 -9.264 319 HD2 ARG 51 HD2 ARG 51 20.591 22.427 -8.604 320 HD3 ARG 51 HD3 ARG 51 19.589 23.866 -8.775 321 HE ARG 51 HE ARG 51 18.198 22.426 -6.991 322 HH11 ARG 51 HH11 ARG 51 21.593 23.251 -7.191 323 HH12 ARG 51 HH12 ARG 51 21.824 23.303 -5.481 324 HH21 ARG 51 HH21 ARG 51 18.483 22.469 -4.705 325 HH22 ARG 51 HH22 ARG 51 20.046 22.846 -4.062 326 H SER 52 H SER 52 19.403 20.107 -13.704 327 HA SER 52 HA SER 52 19.649 17.755 -12.045 328 HB2 SER 52 HB2 SER 52 17.909 17.712 -14.517 329 HB3 SER 52 HB3 SER 52 18.360 16.310 -13.548 330 HG SER 52 HG SER 52 17.340 18.160 -11.925 Start of MODEL 9 1 HA ASN 1 HA ASN 1 5.233 3.682 5.486 2 HB2 ASN 1 HB2 ASN 1 2.795 3.439 5.485 3 HB3 ASN 1 HB3 ASN 1 3.446 3.034 7.068 4 HD21 ASN 1 HD21 ASN 1 3.061 4.420 8.801 5 HD22 ASN 1 HD22 ASN 1 1.822 5.620 8.755 6 H GLU 2 H GLU 2 5.435 6.817 6.173 7 HA GLU 2 HA GLU 2 3.814 8.100 4.261 8 HB2 GLU 2 HB2 GLU 2 6.456 8.932 5.467 9 HB3 GLU 2 HB3 GLU 2 5.490 9.970 4.434 10 HG2 GLU 2 HG2 GLU 2 5.087 10.605 6.682 11 HG3 GLU 2 HG3 GLU 2 3.645 9.778 6.103 12 H LEU 3 H LEU 3 4.174 8.663 2.161 13 HA LEU 3 HA LEU 3 6.457 7.328 0.877 14 HB2 LEU 3 HB2 LEU 3 4.147 6.446 0.387 15 HB3 LEU 3 HB3 LEU 3 3.793 7.984 -0.371 16 HG LEU 3 HG LEU 3 5.540 7.572 -2.042 17 HD11 LEU 3 HD11 LEU 3 5.861 4.937 -0.617 18 HD12 LEU 3 HD12 LEU 3 7.062 6.224 -0.737 19 HD13 LEU 3 HD13 LEU 3 6.568 5.341 -2.180 20 HD21 LEU 3 HD21 LEU 3 4.415 5.754 -3.224 21 HD22 LEU 3 HD22 LEU 3 3.256 6.870 -2.500 22 HD23 LEU 3 HD23 LEU 3 3.572 5.310 -1.740 23 H ARG 4 H ARG 4 7.943 8.740 0.271 24 HA ARG 4 HA ARG 4 7.065 11.371 -0.721 25 HB2 ARG 4 HB2 ARG 4 9.605 10.723 0.797 26 HB3 ARG 4 HB3 ARG 4 9.247 12.279 0.070 27 HG2 ARG 4 HG2 ARG 4 8.601 12.741 2.189 28 HG3 ARG 4 HG3 ARG 4 7.084 12.050 1.611 29 HD2 ARG 4 HD2 ARG 4 7.650 11.108 3.765 30 HD3 ARG 4 HD3 ARG 4 7.767 9.863 2.522 31 HE ARG 4 HE ARG 4 10.294 10.794 2.672 32 HH11 ARG 4 HH11 ARG 4 8.068 9.709 5.147 33 HH12 ARG 4 HH12 ARG 4 9.303 9.071 6.172 34 HH21 ARG 4 HH21 ARG 4 11.940 9.971 4.029 35 HH22 ARG 4 HH22 ARG 4 11.523 9.228 5.535 36 H CYS 5 H CYS 5 8.680 12.378 -2.232 37 HA CYS 5 HA CYS 5 9.431 10.427 -4.203 38 HB2 CYS 5 HB2 CYS 5 8.426 12.672 -4.765 39 HB3 CYS 5 HB3 CYS 5 9.935 13.411 -4.245 40 H GLY 6 H GLY 6 11.454 9.830 -4.756 41 HA2 GLY 6 HA2 GLY 6 13.478 9.937 -2.775 42 HA3 GLY 6 HA3 GLY 6 13.630 9.299 -4.403 43 H CYS 7 H CYS 7 12.728 12.035 -5.342 44 HA CYS 7 HA CYS 7 15.232 13.031 -6.037 45 HB2 CYS 7 HB2 CYS 7 12.870 13.577 -6.998 46 HB3 CYS 7 HB3 CYS 7 12.864 14.849 -5.789 47 HA PRO 8 HA PRO 8 16.334 14.732 -2.004 48 HB2 PRO 8 HB2 PRO 8 18.720 15.614 -3.516 49 HB3 PRO 8 HB3 PRO 8 18.625 14.627 -2.057 50 HG2 PRO 8 HG2 PRO 8 19.276 13.556 -4.423 51 HG3 PRO 8 HG3 PRO 8 18.300 12.670 -3.237 52 HD2 PRO 8 HD2 PRO 8 17.433 14.080 -5.729 53 HD3 PRO 8 HD3 PRO 8 16.864 12.543 -5.031 54 H ASP 9 H ASP 9 16.014 16.279 -5.048 55 HA ASP 9 HA ASP 9 16.363 18.930 -3.869 56 HB2 ASP 9 HB2 ASP 9 16.204 17.998 -6.725 57 HB3 ASP 9 HB3 ASP 9 16.143 19.699 -6.276 58 H CYS 10 H CYS 10 13.846 16.776 -4.454 59 HA CYS 10 HA CYS 10 11.954 19.007 -4.431 60 HB2 CYS 10 HB2 CYS 10 12.449 18.065 -6.811 61 HB3 CYS 10 HB3 CYS 10 11.425 16.732 -6.301 62 H HIS 11 H HIS 11 9.988 18.585 -3.510 63 HA HIS 11 HA HIS 11 9.625 15.900 -2.375 64 HB2 HIS 11 HB2 HIS 11 8.964 18.586 -1.148 65 HB3 HIS 11 HB3 HIS 11 8.315 17.069 -0.536 66 HD2 HIS 11 HD2 HIS 11 11.928 18.598 -1.071 67 HE1 HIS 11 HE1 HIS 11 11.953 16.001 2.277 68 HE2 HIS 11 HE2 HIS 11 13.186 17.809 1.034 69 H CYS 12 H CYS 12 8.316 15.097 -3.860 70 HA CYS 12 HA CYS 12 6.060 16.686 -4.823 71 HB2 CYS 12 HB2 CYS 12 6.848 14.014 -5.889 72 HB3 CYS 12 HB3 CYS 12 6.103 15.371 -6.728 73 H LYS 13 H LYS 13 3.977 15.685 -5.008 74 HA LYS 13 HA LYS 13 3.335 13.980 -2.791 75 HB2 LYS 13 HB2 LYS 13 1.014 14.177 -3.591 76 HB3 LYS 13 HB3 LYS 13 1.781 15.736 -3.354 77 HG2 LYS 13 HG2 LYS 13 1.777 16.242 -5.578 78 HG3 LYS 13 HG3 LYS 13 1.854 14.550 -6.076 79 HD2 LYS 13 HD2 LYS 13 -0.541 15.859 -4.817 80 HD3 LYS 13 HD3 LYS 13 -0.329 15.635 -6.557 81 HE2 LYS 13 HE2 LYS 13 -0.480 13.454 -4.463 82 HE3 LYS 13 HE3 LYS 13 -1.740 13.877 -5.620 83 HZ1 LYS 13 HZ1 LYS 13 -0.494 11.944 -6.338 84 HZ2 LYS 13 HZ2 LYS 13 0.953 12.814 -6.304 85 HZ3 LYS 13 HZ3 LYS 13 -0.253 13.222 -7.411 86 H VAL 14 H VAL 14 3.886 11.925 -2.977 87 HA VAL 14 HA VAL 14 3.878 10.668 -5.591 88 HB VAL 14 HB VAL 14 4.794 9.536 -2.941 89 HG11 VAL 14 HG11 VAL 14 5.963 7.880 -4.310 90 HG12 VAL 14 HG12 VAL 14 5.269 8.590 -5.768 91 HG13 VAL 14 HG13 VAL 14 4.221 7.815 -4.579 92 HG21 VAL 14 HG21 VAL 14 7.048 10.023 -3.745 93 HG22 VAL 14 HG22 VAL 14 6.086 11.494 -3.594 94 HG23 VAL 14 HG23 VAL 14 6.369 10.783 -5.184 95 H ASP 15 H ASP 15 2.517 9.177 -6.253 96 HA ASP 15 HA ASP 15 0.260 8.506 -4.504 97 HB2 ASP 15 HB2 ASP 15 -0.087 9.607 -6.792 98 HB3 ASP 15 HB3 ASP 15 0.454 8.090 -7.478 99 HA PRO 16 HA PRO 16 1.967 4.393 -4.135 100 HB2 PRO 16 HB2 PRO 16 -0.851 3.636 -3.598 101 HB3 PRO 16 HB3 PRO 16 0.589 3.379 -2.607 102 HG2 PRO 16 HG2 PRO 16 -1.216 5.219 -1.932 103 HG3 PRO 16 HG3 PRO 16 0.518 5.515 -1.711 104 HD2 PRO 16 HD2 PRO 16 -1.320 6.528 -3.844 105 HD3 PRO 16 HD3 PRO 16 -0.013 7.368 -2.980 106 H GLU 17 H GLU 17 -0.765 5.220 -6.140 107 HA GLU 17 HA GLU 17 -0.704 2.679 -7.543 108 HB2 GLU 17 HB2 GLU 17 -2.849 3.827 -7.011 109 HB3 GLU 17 HB3 GLU 17 -2.362 5.156 -8.045 110 HG2 GLU 17 HG2 GLU 17 -3.941 3.720 -9.169 111 HG3 GLU 17 HG3 GLU 17 -2.371 3.666 -9.970 112 H ARG 18 H ARG 18 0.475 5.919 -7.855 113 HA ARG 18 HA ARG 18 1.550 5.256 -10.517 114 HB2 ARG 18 HB2 ARG 18 0.668 7.999 -9.583 115 HB3 ARG 18 HB3 ARG 18 1.376 7.621 -11.144 116 HG2 ARG 18 HG2 ARG 18 -0.680 7.338 -11.928 117 HG3 ARG 18 HG3 ARG 18 -0.806 5.915 -10.891 118 HD2 ARG 18 HD2 ARG 18 -2.677 7.399 -10.497 119 HD3 ARG 18 HD3 ARG 18 -1.645 7.313 -9.070 120 HE ARG 18 HE ARG 18 -0.825 9.494 -10.619 121 HH11 ARG 18 HH11 ARG 18 -3.555 8.499 -8.673 122 HH12 ARG 18 HH12 ARG 18 -4.030 10.107 -8.265 123 HH21 ARG 18 HH21 ARG 18 -1.436 11.639 -10.090 124 HH22 ARG 18 HH22 ARG 18 -2.820 11.914 -9.090 125 H VAL 19 H VAL 19 3.145 4.491 -8.650 126 HA VAL 19 HA VAL 19 5.032 6.700 -8.227 127 HB VAL 19 HB VAL 19 4.339 5.994 -6.066 128 HG11 VAL 19 HG11 VAL 19 4.491 3.656 -5.299 129 HG12 VAL 19 HG12 VAL 19 4.864 3.166 -6.954 130 HG13 VAL 19 HG13 VAL 19 3.300 3.898 -6.578 131 HG21 VAL 19 HG21 VAL 19 6.983 4.694 -6.688 132 HG22 VAL 19 HG22 VAL 19 6.386 5.075 -5.073 133 HG23 VAL 19 HG23 VAL 19 6.714 6.374 -6.220 134 H PHE 20 H PHE 20 6.944 6.581 -9.116 135 HA PHE 20 HA PHE 20 7.639 4.208 -10.637 136 HB2 PHE 20 HB2 PHE 20 8.165 7.031 -10.865 137 HB3 PHE 20 HB3 PHE 20 9.676 6.135 -10.889 138 HD1 PHE 20 HD1 PHE 20 6.500 6.692 -12.574 139 HD2 PHE 20 HD2 PHE 20 10.230 4.683 -12.715 140 HE1 PHE 20 HE1 PHE 20 6.100 6.138 -14.939 141 HE2 PHE 20 HE2 PHE 20 9.848 4.123 -15.081 142 HZ PHE 20 HZ PHE 20 7.780 4.850 -16.195 143 H ASN 21 H ASN 21 8.610 2.670 -9.532 144 HA ASN 21 HA ASN 21 10.364 3.330 -7.319 145 HB2 ASN 21 HB2 ASN 21 8.783 1.415 -7.155 146 HB3 ASN 21 HB3 ASN 21 9.652 0.621 -8.463 147 HD21 ASN 21 HD21 ASN 21 11.757 -0.149 -8.083 148 HD22 ASN 21 HD22 ASN 21 12.326 -0.448 -6.480 149 H HIS 22 H HIS 22 12.426 3.690 -7.610 150 HA HIS 22 HA HIS 22 13.852 2.231 -9.700 151 HB2 HIS 22 HB2 HIS 22 13.234 4.400 -10.693 152 HB3 HIS 22 HB3 HIS 22 13.960 5.244 -9.335 153 HD2 HIS 22 HD2 HIS 22 16.856 5.036 -9.285 154 HE1 HIS 22 HE1 HIS 22 17.087 4.124 -13.418 155 HE2 HIS 22 HE2 HIS 22 18.388 4.573 -11.315 156 H ASP 23 H ASP 23 15.676 1.394 -8.941 157 HA ASP 23 HA ASP 23 17.470 0.928 -7.628 158 HB2 ASP 23 HB2 ASP 23 18.035 3.344 -8.220 159 HB3 ASP 23 HB3 ASP 23 17.347 3.802 -6.669 160 H GLY 24 H GLY 24 14.691 0.752 -6.680 161 HA2 GLY 24 HA2 GLY 24 13.766 -0.189 -4.767 162 HA3 GLY 24 HA3 GLY 24 15.271 0.130 -3.916 163 H GLU 25 H GLU 25 14.419 2.929 -5.405 164 HA GLU 25 HA GLU 25 13.207 3.946 -2.934 165 HB2 GLU 25 HB2 GLU 25 15.430 4.849 -3.828 166 HB3 GLU 25 HB3 GLU 25 14.481 5.555 -5.124 167 HG2 GLU 25 HG2 GLU 25 13.372 7.016 -3.675 168 HG3 GLU 25 HG3 GLU 25 13.905 6.129 -2.245 169 H ALA 26 H ALA 26 11.541 5.548 -3.156 170 HA ALA 26 HA ALA 26 9.783 4.932 -5.413 171 HB1 ALA 26 HB1 ALA 26 7.979 5.787 -4.020 172 HB2 ALA 26 HB2 ALA 26 9.139 6.237 -2.770 173 HB3 ALA 26 HB3 ALA 26 8.887 4.538 -3.169 174 H TYR 27 H TYR 27 9.006 6.477 -6.760 175 HA TYR 27 HA TYR 27 9.792 9.257 -6.272 176 HB2 TYR 27 HB2 TYR 27 10.227 7.741 -8.851 177 HB3 TYR 27 HB3 TYR 27 10.428 9.477 -8.657 178 HD1 TYR 27 HD1 TYR 27 11.895 6.191 -8.076 179 HD2 TYR 27 HD2 TYR 27 12.298 10.356 -7.321 180 HE1 TYR 27 HE1 TYR 27 14.228 5.841 -7.414 181 HE2 TYR 27 HE2 TYR 27 14.636 10.009 -6.666 182 HH TYR 27 HH TYR 27 15.946 8.011 -5.677 183 H CYS 28 H CYS 28 8.476 10.790 -7.310 184 HA CYS 28 HA CYS 28 5.756 10.086 -7.495 185 HB2 CYS 28 HB2 CYS 28 5.419 12.378 -8.249 186 HB3 CYS 28 HB3 CYS 28 6.567 12.332 -6.912 187 H SER 29 H SER 29 8.211 10.731 -9.940 188 HA SER 29 HA SER 29 6.605 9.366 -11.936 189 HB2 SER 29 HB2 SER 29 6.981 11.230 -13.556 190 HB3 SER 29 HB3 SER 29 5.942 11.690 -12.205 191 HG SER 29 HG SER 29 7.717 12.715 -11.243 192 H GLN 30 H GLN 30 7.980 9.368 -14.074 193 HA GLN 30 HA GLN 30 10.423 8.088 -13.425 194 HB2 GLN 30 HB2 GLN 30 10.704 7.662 -15.753 195 HB3 GLN 30 HB3 GLN 30 9.008 7.456 -15.369 196 HG2 GLN 30 HG2 GLN 30 10.214 9.870 -16.684 197 HG3 GLN 30 HG3 GLN 30 9.388 8.566 -17.527 198 HE21 GLN 30 HE21 GLN 30 9.072 11.459 -15.736 199 HE22 GLN 30 HE22 GLN 30 7.345 11.576 -15.786 200 H ALA 31 H ALA 31 9.668 11.350 -13.860 201 HA ALA 31 HA ALA 31 12.106 12.286 -14.999 202 HB1 ALA 31 HB1 ALA 31 10.150 13.736 -13.210 203 HB2 ALA 31 HB2 ALA 31 10.057 13.643 -14.969 204 HB3 ALA 31 HB3 ALA 31 11.403 14.484 -14.200 205 H CYS 32 H CYS 32 10.956 12.470 -11.638 206 HA CYS 32 HA CYS 32 13.515 13.101 -10.617 207 HB2 CYS 32 HB2 CYS 32 11.030 12.029 -9.276 208 HB3 CYS 32 HB3 CYS 32 12.463 12.547 -8.409 209 H ALA 33 H ALA 33 11.945 10.159 -11.419 210 HA ALA 33 HA ALA 33 13.188 8.343 -9.675 211 HB1 ALA 33 HB1 ALA 33 12.231 7.749 -12.468 212 HB2 ALA 33 HB2 ALA 33 11.194 7.834 -11.045 213 HB3 ALA 33 HB3 ALA 33 12.446 6.597 -11.149 214 H GLU 34 H GLU 34 14.129 9.359 -12.911 215 HA GLU 34 HA GLU 34 16.605 7.819 -12.625 216 HB2 GLU 34 HB2 GLU 34 15.332 9.054 -15.063 217 HB3 GLU 34 HB3 GLU 34 16.885 8.229 -15.069 218 HG2 GLU 34 HG2 GLU 34 15.723 6.187 -14.249 219 HG3 GLU 34 HG3 GLU 34 14.193 7.039 -14.450 220 H GLN 35 H GLN 35 15.820 10.554 -11.510 221 HA GLN 35 HA GLN 35 16.895 12.448 -10.925 222 HB2 GLN 35 HB2 GLN 35 19.244 10.999 -12.131 223 HB3 GLN 35 HB3 GLN 35 19.392 12.605 -11.434 224 HG2 GLN 35 HG2 GLN 35 18.507 10.106 -10.008 225 HG3 GLN 35 HG3 GLN 35 20.057 10.928 -9.832 226 HE21 GLN 35 HE21 GLN 35 20.131 12.912 -8.746 227 HE22 GLN 35 HE22 GLN 35 18.857 13.418 -7.697 228 H HIS 36 H HIS 36 15.536 12.129 -13.443 229 HA HIS 36 HA HIS 36 14.956 13.353 -15.241 230 HB2 HIS 36 HB2 HIS 36 16.745 15.542 -14.149 231 HB3 HIS 36 HB3 HIS 36 15.365 15.729 -15.224 232 HD1 HIS 36 HD1 HIS 36 13.275 16.473 -14.053 233 HD2 HIS 36 HD2 HIS 36 15.808 14.372 -11.511 234 HE1 HIS 36 HE1 HIS 36 12.212 16.581 -11.779 235 HA PRO 37 HA PRO 37 18.783 12.043 -17.407 236 HB2 PRO 37 HB2 PRO 37 17.436 11.037 -19.571 237 HB3 PRO 37 HB3 PRO 37 17.775 10.105 -18.109 238 HG2 PRO 37 HG2 PRO 37 15.271 11.528 -18.914 239 HG3 PRO 37 HG3 PRO 37 15.460 9.932 -18.160 240 HD2 PRO 37 HD2 PRO 37 14.746 12.103 -16.745 241 HD3 PRO 37 HD3 PRO 37 15.772 10.833 -16.050 242 H ASN 38 H ASN 38 15.967 13.763 -18.643 243 HA ASN 38 HA ASN 38 17.673 15.111 -20.628 244 HB2 ASN 38 HB2 ASN 38 15.630 13.995 -21.455 245 HB3 ASN 38 HB3 ASN 38 14.668 15.059 -20.432 246 HD21 ASN 38 HD21 ASN 38 16.874 14.929 -23.121 247 HD22 ASN 38 HD22 ASN 38 16.408 16.437 -23.807 248 H GLY 39 H GLY 39 15.878 15.560 -17.738 249 HA2 GLY 39 HA2 GLY 39 16.300 17.460 -16.330 250 HA3 GLY 39 HA3 GLY 39 16.599 18.416 -17.779 251 H GLU 40 H GLU 40 13.997 16.167 -17.464 252 HA GLU 40 HA GLU 40 12.078 18.228 -18.044 253 HB2 GLU 40 HB2 GLU 40 10.460 16.303 -18.037 254 HB3 GLU 40 HB3 GLU 40 11.769 16.161 -19.199 255 HG2 GLU 40 HG2 GLU 40 11.914 14.848 -16.507 256 HG3 GLU 40 HG3 GLU 40 11.072 14.095 -17.857 257 HA PRO 41 HA PRO 41 11.061 18.933 -13.730 258 HB2 PRO 41 HB2 PRO 41 8.618 20.152 -14.871 259 HB3 PRO 41 HB3 PRO 41 9.850 20.876 -13.831 260 HG2 PRO 41 HG2 PRO 41 9.665 21.527 -16.416 261 HG3 PRO 41 HG3 PRO 41 11.236 21.396 -15.605 262 HD2 PRO 41 HD2 PRO 41 9.886 19.454 -17.441 263 HD3 PRO 41 HD3 PRO 41 11.594 19.937 -17.357 264 H CYS 42 H CYS 42 9.662 18.003 -12.250 265 HA CYS 42 HA CYS 42 8.070 15.797 -13.249 266 HB2 CYS 42 HB2 CYS 42 8.023 15.118 -10.884 267 HB3 CYS 42 HB3 CYS 42 9.662 15.476 -11.404 268 HA PRO 43 HA PRO 43 4.119 17.746 -12.562 269 HB2 PRO 43 HB2 PRO 43 2.557 15.768 -11.631 270 HB3 PRO 43 HB3 PRO 43 3.191 15.759 -13.281 271 HG2 PRO 43 HG2 PRO 43 4.197 14.312 -10.860 272 HG3 PRO 43 HG3 PRO 43 3.971 13.703 -12.511 273 HD2 PRO 43 HD2 PRO 43 6.382 14.475 -11.543 274 HD3 PRO 43 HD3 PRO 43 5.942 14.623 -13.254 275 H ALA 44 H ALA 44 6.023 17.857 -10.205 276 HA ALA 44 HA ALA 44 4.359 17.633 -7.869 277 HB1 ALA 44 HB1 ALA 44 6.773 17.278 -7.723 278 HB2 ALA 44 HB2 ALA 44 6.265 18.608 -6.682 279 HB3 ALA 44 HB3 ALA 44 7.053 18.946 -8.222 280 HA PRO 45 HA PRO 45 2.297 21.541 -8.174 281 HB2 PRO 45 HB2 PRO 45 1.985 22.021 -5.462 282 HB3 PRO 45 HB3 PRO 45 0.917 21.004 -6.433 283 HG2 PRO 45 HG2 PRO 45 3.170 20.215 -4.635 284 HG3 PRO 45 HG3 PRO 45 1.597 19.431 -4.875 285 HD2 PRO 45 HD2 PRO 45 3.843 18.466 -5.984 286 HD3 PRO 45 HD3 PRO 45 2.280 18.379 -6.822 287 H ASP 46 H ASP 46 4.437 21.584 -5.310 288 HA ASP 46 HA ASP 46 5.310 24.279 -6.022 289 HB2 ASP 46 HB2 ASP 46 6.170 24.414 -3.780 290 HB3 ASP 46 HB3 ASP 46 4.563 23.702 -3.684 291 H CYS 47 H CYS 47 6.105 21.884 -7.490 292 HA CYS 47 HA CYS 47 8.299 20.520 -7.296 293 HB2 CYS 47 HB2 CYS 47 7.096 20.829 -9.397 294 HB3 CYS 47 HB3 CYS 47 7.847 22.407 -9.601 295 H HIS 48 H HIS 48 10.179 20.780 -6.357 296 HA HIS 48 HA HIS 48 11.349 23.461 -6.231 297 HB2 HIS 48 HB2 HIS 48 10.860 22.138 -4.138 298 HB3 HIS 48 HB3 HIS 48 12.138 21.035 -4.625 299 HD1 HIS 48 HD1 HIS 48 14.467 21.646 -3.967 300 HD2 HIS 48 HD2 HIS 48 11.826 24.830 -3.578 301 HE1 HIS 48 HE1 HIS 48 15.756 23.461 -2.788 302 HE2 HIS 48 HE2 HIS 48 14.074 25.289 -2.397 303 H CYS 49 H CYS 49 11.825 20.464 -7.823 304 HA CYS 49 HA CYS 49 14.677 20.983 -8.188 305 HB2 CYS 49 HB2 CYS 49 14.770 18.802 -9.272 306 HB3 CYS 49 HB3 CYS 49 14.010 18.670 -7.693 307 H GLU 50 H GLU 50 15.606 20.944 -10.304 308 HA GLU 50 HA GLU 50 15.846 21.595 -12.454 309 HB2 GLU 50 HB2 GLU 50 14.168 19.651 -12.614 310 HB3 GLU 50 HB3 GLU 50 12.975 20.905 -12.932 311 HG2 GLU 50 HG2 GLU 50 13.819 19.967 -14.955 312 HG3 GLU 50 HG3 GLU 50 14.256 21.665 -14.826 313 H ARG 51 H ARG 51 14.857 23.445 -10.503 314 HA ARG 51 HA ARG 51 13.001 25.220 -11.772 315 HB2 ARG 51 HB2 ARG 51 14.686 25.488 -9.311 316 HB3 ARG 51 HB3 ARG 51 13.765 26.838 -9.946 317 HG2 ARG 51 HG2 ARG 51 11.739 25.450 -9.804 318 HG3 ARG 51 HG3 ARG 51 12.696 24.205 -8.995 319 HD2 ARG 51 HD2 ARG 51 13.262 25.806 -7.227 320 HD3 ARG 51 HD3 ARG 51 12.301 27.039 -8.040 321 HE ARG 51 HE ARG 51 10.754 24.714 -7.509 322 HH11 ARG 51 HH11 ARG 51 12.028 27.624 -6.027 323 HH12 ARG 51 HH12 ARG 51 10.882 27.625 -4.735 324 HH21 ARG 51 HH21 ARG 51 9.208 24.722 -5.797 325 HH22 ARG 51 HH22 ARG 51 9.265 25.981 -4.616 326 H SER 52 H SER 52 13.490 27.475 -12.202 327 HA SER 52 HA SER 52 15.699 27.606 -13.970 328 HB2 SER 52 HB2 SER 52 13.838 29.831 -13.151 329 HB3 SER 52 HB3 SER 52 14.819 29.751 -14.614 330 HG SER 52 HG SER 52 13.492 27.620 -14.813 Start of MODEL 10 1 HA ASN 1 HA ASN 1 1.566 5.436 3.220 2 HB2 ASN 1 HB2 ASN 1 -0.187 6.268 1.702 3 HB3 ASN 1 HB3 ASN 1 0.141 7.918 2.220 4 HD21 ASN 1 HD21 ASN 1 0.697 8.617 0.177 5 HD22 ASN 1 HD22 ASN 1 2.154 8.138 -0.620 6 H GLU 2 H GLU 2 3.637 6.055 3.265 7 HA GLU 2 HA GLU 2 4.301 8.753 4.203 8 HB2 GLU 2 HB2 GLU 2 6.140 7.825 5.558 9 HB3 GLU 2 HB3 GLU 2 4.562 7.302 6.127 10 HG2 GLU 2 HG2 GLU 2 4.861 5.128 5.297 11 HG3 GLU 2 HG3 GLU 2 6.231 5.615 4.298 12 H LEU 3 H LEU 3 4.335 6.877 1.699 13 HA LEU 3 HA LEU 3 7.057 6.625 0.967 14 HB2 LEU 3 HB2 LEU 3 5.098 5.313 0.063 15 HB3 LEU 3 HB3 LEU 3 4.666 6.735 -0.864 16 HG LEU 3 HG LEU 3 6.737 6.587 -2.124 17 HD11 LEU 3 HD11 LEU 3 7.317 4.217 -0.356 18 HD12 LEU 3 HD12 LEU 3 8.225 5.728 -0.444 19 HD13 LEU 3 HD13 LEU 3 8.215 4.625 -1.816 20 HD21 LEU 3 HD21 LEU 3 6.313 4.439 -3.263 21 HD22 LEU 3 HD22 LEU 3 4.834 5.353 -2.965 22 HD23 LEU 3 HD23 LEU 3 5.241 3.974 -1.943 23 H ARG 4 H ARG 4 8.374 8.209 0.460 24 HA ARG 4 HA ARG 4 7.238 10.769 -0.409 25 HB2 ARG 4 HB2 ARG 4 9.275 11.798 0.425 26 HB3 ARG 4 HB3 ARG 4 8.560 10.796 1.682 27 HG2 ARG 4 HG2 ARG 4 10.164 9.014 1.146 28 HG3 ARG 4 HG3 ARG 4 10.899 10.061 -0.067 29 HD2 ARG 4 HD2 ARG 4 10.706 10.654 2.877 30 HD3 ARG 4 HD3 ARG 4 12.135 10.032 2.058 31 HE ARG 4 HE ARG 4 10.985 12.720 1.743 32 HH11 ARG 4 HH11 ARG 4 13.602 10.462 1.101 33 HH12 ARG 4 HH12 ARG 4 14.728 11.698 0.668 34 HH21 ARG 4 HH21 ARG 4 12.484 14.356 1.174 35 HH22 ARG 4 HH22 ARG 4 14.097 13.923 0.723 36 H CYS 5 H CYS 5 8.631 12.045 -1.874 37 HA CYS 5 HA CYS 5 9.354 10.498 -4.153 38 HB2 CYS 5 HB2 CYS 5 8.240 12.717 -4.289 39 HB3 CYS 5 HB3 CYS 5 9.689 13.460 -3.627 40 H GLY 6 H GLY 6 11.373 10.012 -4.886 41 HA2 GLY 6 HA2 GLY 6 13.503 9.888 -3.043 42 HA3 GLY 6 HA3 GLY 6 13.590 9.547 -4.765 43 H CYS 7 H CYS 7 12.625 12.263 -5.394 44 HA CYS 7 HA CYS 7 15.113 13.495 -5.749 45 HB2 CYS 7 HB2 CYS 7 12.577 13.921 -6.712 46 HB3 CYS 7 HB3 CYS 7 12.819 15.321 -5.682 47 HA PRO 8 HA PRO 8 15.380 14.979 -1.534 48 HB2 PRO 8 HB2 PRO 8 17.980 15.661 -1.597 49 HB3 PRO 8 HB3 PRO 8 17.463 13.973 -1.519 50 HG2 PRO 8 HG2 PRO 8 18.379 15.564 -3.882 51 HG3 PRO 8 HG3 PRO 8 18.781 13.897 -3.431 52 HD2 PRO 8 HD2 PRO 8 16.895 14.549 -5.307 53 HD3 PRO 8 HD3 PRO 8 16.849 13.054 -4.348 54 H ASP 9 H ASP 9 15.628 16.664 -4.444 55 HA ASP 9 HA ASP 9 16.062 19.201 -3.058 56 HB2 ASP 9 HB2 ASP 9 17.392 18.511 -5.168 57 HB3 ASP 9 HB3 ASP 9 15.923 18.922 -6.047 58 H CYS 10 H CYS 10 13.555 17.283 -4.251 59 HA CYS 10 HA CYS 10 11.805 19.642 -4.321 60 HB2 CYS 10 HB2 CYS 10 12.211 18.629 -6.601 61 HB3 CYS 10 HB3 CYS 10 11.369 17.194 -6.027 62 H HIS 11 H HIS 11 9.602 19.250 -3.759 63 HA HIS 11 HA HIS 11 9.249 16.923 -1.997 64 HB2 HIS 11 HB2 HIS 11 8.097 19.692 -1.581 65 HB3 HIS 11 HB3 HIS 11 7.903 18.310 -0.510 66 HD2 HIS 11 HD2 HIS 11 10.316 17.592 0.900 67 HE1 HIS 11 HE1 HIS 11 12.204 21.306 0.137 68 HE2 HIS 11 HE2 HIS 11 12.396 19.080 1.266 69 H CYS 12 H CYS 12 8.051 15.648 -3.288 70 HA CYS 12 HA CYS 12 5.721 16.845 -4.624 71 HB2 CYS 12 HB2 CYS 12 7.020 14.204 -5.255 72 HB3 CYS 12 HB3 CYS 12 5.841 15.084 -6.222 73 H LYS 13 H LYS 13 3.963 15.184 -4.980 74 HA LYS 13 HA LYS 13 3.458 13.731 -2.504 75 HB2 LYS 13 HB2 LYS 13 1.100 13.661 -3.369 76 HB3 LYS 13 HB3 LYS 13 1.713 15.258 -2.975 77 HG2 LYS 13 HG2 LYS 13 1.952 15.844 -5.245 78 HG3 LYS 13 HG3 LYS 13 1.730 14.173 -5.772 79 HD2 LYS 13 HD2 LYS 13 -0.379 15.695 -4.286 80 HD3 LYS 13 HD3 LYS 13 -0.254 15.727 -6.048 81 HE2 LYS 13 HE2 LYS 13 -0.481 13.198 -4.423 82 HE3 LYS 13 HE3 LYS 13 -1.870 14.034 -5.120 83 HZ1 LYS 13 HZ1 LYS 13 0.419 12.863 -6.620 84 HZ2 LYS 13 HZ2 LYS 13 -0.842 13.743 -7.319 85 HZ3 LYS 13 HZ3 LYS 13 -1.161 12.267 -6.565 86 H VAL 14 H VAL 14 3.763 11.597 -2.557 87 HA VAL 14 HA VAL 14 3.807 10.295 -5.188 88 HB VAL 14 HB VAL 14 5.028 9.344 -2.589 89 HG11 VAL 14 HG11 VAL 14 6.098 7.617 -3.963 90 HG12 VAL 14 HG12 VAL 14 5.197 8.184 -5.368 91 HG13 VAL 14 HG13 VAL 14 4.340 7.479 -3.999 92 HG21 VAL 14 HG21 VAL 14 7.168 9.786 -3.705 93 HG22 VAL 14 HG22 VAL 14 6.210 11.254 -3.497 94 HG23 VAL 14 HG23 VAL 14 6.297 10.470 -5.076 95 H ASP 15 H ASP 15 2.361 8.845 -5.705 96 HA ASP 15 HA ASP 15 0.416 7.987 -3.694 97 HB2 ASP 15 HB2 ASP 15 -0.302 8.958 -5.952 98 HB3 ASP 15 HB3 ASP 15 0.333 7.492 -6.664 99 HA PRO 16 HA PRO 16 2.462 4.056 -3.326 100 HB2 PRO 16 HB2 PRO 16 -0.298 3.053 -2.832 101 HB3 PRO 16 HB3 PRO 16 1.164 2.859 -1.856 102 HG2 PRO 16 HG2 PRO 16 -0.730 4.559 -1.102 103 HG3 PRO 16 HG3 PRO 16 0.983 4.975 -0.922 104 HD2 PRO 16 HD2 PRO 16 -0.986 5.901 -2.974 105 HD3 PRO 16 HD3 PRO 16 0.298 6.808 -2.144 106 H GLU 17 H GLU 17 -0.213 4.632 -5.503 107 HA GLU 17 HA GLU 17 0.316 2.099 -6.882 108 HB2 GLU 17 HB2 GLU 17 -2.026 2.649 -6.260 109 HB3 GLU 17 HB3 GLU 17 -1.943 4.065 -7.292 110 HG2 GLU 17 HG2 GLU 17 -3.102 2.246 -8.389 111 HG3 GLU 17 HG3 GLU 17 -1.604 2.643 -9.233 112 H ARG 18 H ARG 18 0.842 5.474 -7.080 113 HA ARG 18 HA ARG 18 1.691 5.180 -9.878 114 HB2 ARG 18 HB2 ARG 18 0.621 7.698 -8.579 115 HB3 ARG 18 HB3 ARG 18 1.258 7.587 -10.210 116 HG2 ARG 18 HG2 ARG 18 -0.979 7.442 -10.640 117 HG3 ARG 18 HG3 ARG 18 -0.569 5.740 -10.446 118 HD2 ARG 18 HD2 ARG 18 -1.307 5.810 -8.138 119 HD3 ARG 18 HD3 ARG 18 -1.726 7.513 -8.321 120 HE ARG 18 HE ARG 18 -3.095 6.255 -10.307 121 HH11 ARG 18 HH11 ARG 18 -2.938 5.885 -6.815 122 HH12 ARG 18 HH12 ARG 18 -4.583 5.353 -6.683 123 HH21 ARG 18 HH21 ARG 18 -5.247 5.537 -10.125 124 HH22 ARG 18 HH22 ARG 18 -5.900 5.154 -8.574 125 H VAL 19 H VAL 19 3.514 4.394 -8.425 126 HA VAL 19 HA VAL 19 5.333 6.655 -8.053 127 HB VAL 19 HB VAL 19 4.907 5.955 -5.844 128 HG11 VAL 19 HG11 VAL 19 3.732 3.901 -6.293 129 HG12 VAL 19 HG12 VAL 19 5.002 3.616 -5.101 130 HG13 VAL 19 HG13 VAL 19 5.234 3.111 -6.776 131 HG21 VAL 19 HG21 VAL 19 7.260 6.241 -6.216 132 HG22 VAL 19 HG22 VAL 19 7.413 4.582 -6.792 133 HG23 VAL 19 HG23 VAL 19 7.019 4.895 -5.102 134 H PHE 20 H PHE 20 7.182 6.546 -9.109 135 HA PHE 20 HA PHE 20 7.767 4.140 -10.638 136 HB2 PHE 20 HB2 PHE 20 8.735 6.982 -10.779 137 HB3 PHE 20 HB3 PHE 20 9.590 5.694 -11.612 138 HD1 PHE 20 HD1 PHE 20 6.723 7.863 -11.608 139 HD2 PHE 20 HD2 PHE 20 8.425 4.421 -13.410 140 HE1 PHE 20 HE1 PHE 20 5.143 8.078 -13.482 141 HE2 PHE 20 HE2 PHE 20 6.857 4.625 -15.294 142 HZ PHE 20 HZ PHE 20 5.212 6.456 -15.333 143 H ASN 21 H ASN 21 9.248 2.750 -10.018 144 HA ASN 21 HA ASN 21 11.005 3.473 -7.790 145 HB2 ASN 21 HB2 ASN 21 9.602 1.448 -7.536 146 HB3 ASN 21 HB3 ASN 21 10.378 0.746 -8.951 147 HD21 ASN 21 HD21 ASN 21 12.553 0.097 -8.805 148 HD22 ASN 21 HD22 ASN 21 13.301 -0.204 -7.279 149 H HIS 22 H HIS 22 13.012 4.022 -8.235 150 HA HIS 22 HA HIS 22 14.401 2.647 -10.403 151 HB2 HIS 22 HB2 HIS 22 13.667 4.701 -11.458 152 HB3 HIS 22 HB3 HIS 22 14.246 5.660 -10.103 153 HD2 HIS 22 HD2 HIS 22 16.954 6.276 -10.161 154 HE1 HIS 22 HE1 HIS 22 17.798 4.389 -13.857 155 HE2 HIS 22 HE2 HIS 22 18.713 5.815 -11.997 156 H ASP 23 H ASP 23 16.304 1.945 -9.784 157 HA ASP 23 HA ASP 23 18.231 1.608 -8.640 158 HB2 ASP 23 HB2 ASP 23 18.610 4.037 -9.245 159 HB3 ASP 23 HB3 ASP 23 17.975 4.465 -7.661 160 H GLY 24 H GLY 24 15.506 1.341 -7.443 161 HA2 GLY 24 HA2 GLY 24 14.913 0.214 -5.475 162 HA3 GLY 24 HA3 GLY 24 16.412 0.760 -4.737 163 H GLU 25 H GLU 25 15.347 3.480 -6.040 164 HA GLU 25 HA GLU 25 14.052 4.285 -3.551 165 HB2 GLU 25 HB2 GLU 25 16.056 5.541 -4.384 166 HB3 GLU 25 HB3 GLU 25 15.106 5.997 -5.790 167 HG2 GLU 25 HG2 GLU 25 15.254 7.772 -4.086 168 HG3 GLU 25 HG3 GLU 25 13.604 7.282 -4.465 169 H ALA 26 H ALA 26 12.236 5.679 -3.635 170 HA ALA 26 HA ALA 26 10.395 4.975 -5.821 171 HB1 ALA 26 HB1 ALA 26 9.646 4.238 -3.649 172 HB2 ALA 26 HB2 ALA 26 8.615 5.565 -4.197 173 HB3 ALA 26 HB3 ALA 26 9.862 5.859 -2.990 174 H TYR 27 H TYR 27 9.428 6.541 -7.008 175 HA TYR 27 HA TYR 27 9.892 9.335 -6.223 176 HB2 TYR 27 HB2 TYR 27 10.262 8.204 -8.996 177 HB3 TYR 27 HB3 TYR 27 10.385 9.899 -8.552 178 HD1 TYR 27 HD1 TYR 27 12.024 6.635 -8.477 179 HD2 TYR 27 HD2 TYR 27 12.331 10.720 -7.339 180 HE1 TYR 27 HE1 TYR 27 14.427 6.337 -8.070 181 HE2 TYR 27 HE2 TYR 27 14.735 10.431 -6.931 182 HH TYR 27 HH TYR 27 16.307 8.583 -6.389 183 H CYS 28 H CYS 28 8.394 10.824 -7.072 184 HA CYS 28 HA CYS 28 5.724 9.942 -7.240 185 HB2 CYS 28 HB2 CYS 28 5.245 12.270 -7.823 186 HB3 CYS 28 HB3 CYS 28 6.407 12.189 -6.500 187 H SER 29 H SER 29 8.072 10.959 -9.645 188 HA SER 29 HA SER 29 6.462 9.782 -11.769 189 HB2 SER 29 HB2 SER 29 6.904 11.800 -13.164 190 HB3 SER 29 HB3 SER 29 5.864 12.135 -11.777 191 HG SER 29 HG SER 29 7.639 13.022 -10.703 192 H GLN 30 H GLN 30 7.833 9.844 -13.851 193 HA GLN 30 HA GLN 30 10.350 8.679 -13.223 194 HB2 GLN 30 HB2 GLN 30 10.626 8.254 -15.565 195 HB3 GLN 30 HB3 GLN 30 8.974 7.880 -15.117 196 HG2 GLN 30 HG2 GLN 30 9.865 10.396 -16.486 197 HG3 GLN 30 HG3 GLN 30 9.185 8.989 -17.301 198 HE21 GLN 30 HE21 GLN 30 8.564 11.837 -15.549 199 HE22 GLN 30 HE22 GLN 30 6.834 11.738 -15.541 200 H ALA 31 H ALA 31 9.318 11.836 -13.642 201 HA ALA 31 HA ALA 31 11.554 13.026 -14.868 202 HB1 ALA 31 HB1 ALA 31 9.681 14.198 -12.812 203 HB2 ALA 31 HB2 ALA 31 9.407 14.182 -14.554 204 HB3 ALA 31 HB3 ALA 31 10.749 15.108 -13.881 205 H CYS 32 H CYS 32 10.695 12.928 -11.417 206 HA CYS 32 HA CYS 32 13.265 13.708 -10.540 207 HB2 CYS 32 HB2 CYS 32 11.030 12.295 -9.068 208 HB3 CYS 32 HB3 CYS 32 12.451 12.990 -8.307 209 H ALA 33 H ALA 33 11.823 10.679 -11.340 210 HA ALA 33 HA ALA 33 13.495 8.931 -9.893 211 HB1 ALA 33 HB1 ALA 33 11.316 8.306 -10.921 212 HB2 ALA 33 HB2 ALA 33 12.623 7.174 -11.260 213 HB3 ALA 33 HB3 ALA 33 12.111 8.322 -12.497 214 H GLU 34 H GLU 34 13.617 10.044 -13.226 215 HA GLU 34 HA GLU 34 16.117 8.671 -13.735 216 HB2 GLU 34 HB2 GLU 34 14.597 10.597 -15.489 217 HB3 GLU 34 HB3 GLU 34 15.889 9.519 -15.994 218 HG2 GLU 34 HG2 GLU 34 13.233 8.614 -14.912 219 HG3 GLU 34 HG3 GLU 34 13.625 8.761 -16.622 220 H GLN 35 H GLN 35 15.530 11.234 -11.963 221 HA GLN 35 HA GLN 35 16.642 13.060 -11.252 222 HB2 GLN 35 HB2 GLN 35 18.937 11.872 -12.820 223 HB3 GLN 35 HB3 GLN 35 19.083 13.212 -11.690 224 HG2 GLN 35 HG2 GLN 35 18.241 11.722 -9.897 225 HG3 GLN 35 HG3 GLN 35 18.260 10.392 -11.054 226 HE21 GLN 35 HE21 GLN 35 20.172 12.560 -9.149 227 HE22 GLN 35 HE22 GLN 35 21.667 11.711 -9.316 228 H HIS 36 H HIS 36 15.180 13.032 -13.769 229 HA HIS 36 HA HIS 36 14.582 14.418 -15.456 230 HB2 HIS 36 HB2 HIS 36 16.182 16.562 -14.047 231 HB3 HIS 36 HB3 HIS 36 14.782 16.776 -15.089 232 HD1 HIS 36 HD1 HIS 36 12.628 17.112 -13.868 233 HD2 HIS 36 HD2 HIS 36 15.408 15.072 -11.549 234 HE1 HIS 36 HE1 HIS 36 11.579 16.845 -11.606 235 HA PRO 37 HA PRO 37 18.679 14.121 -17.586 236 HB2 PRO 37 HB2 PRO 37 18.051 12.224 -19.378 237 HB3 PRO 37 HB3 PRO 37 18.503 11.816 -17.719 238 HG2 PRO 37 HG2 PRO 37 15.792 11.939 -18.967 239 HG3 PRO 37 HG3 PRO 37 16.438 10.768 -17.805 240 HD2 PRO 37 HD2 PRO 37 14.810 12.901 -17.148 241 HD3 PRO 37 HD3 PRO 37 15.907 12.085 -16.018 242 H ASN 38 H ASN 38 15.401 14.447 -18.729 243 HA ASN 38 HA ASN 38 16.361 15.779 -21.168 244 HB2 ASN 38 HB2 ASN 38 14.772 13.819 -21.378 245 HB3 ASN 38 HB3 ASN 38 13.552 14.812 -20.593 246 HD21 ASN 38 HD21 ASN 38 15.954 15.923 -22.919 247 HD22 ASN 38 HD22 ASN 38 14.820 16.340 -24.151 248 H GLY 39 H GLY 39 15.585 16.579 -18.147 249 HA2 GLY 39 HA2 GLY 39 15.164 18.682 -17.247 250 HA3 GLY 39 HA3 GLY 39 14.809 19.268 -18.867 251 H GLU 40 H GLU 40 13.264 16.407 -17.949 252 HA GLU 40 HA GLU 40 10.683 17.422 -18.301 253 HB2 GLU 40 HB2 GLU 40 11.246 15.098 -18.737 254 HB3 GLU 40 HB3 GLU 40 11.633 14.847 -17.043 255 HG2 GLU 40 HG2 GLU 40 9.286 15.259 -16.463 256 HG3 GLU 40 HG3 GLU 40 8.914 15.463 -18.174 257 HA PRO 41 HA PRO 41 10.202 18.926 -14.061 258 HB2 PRO 41 HB2 PRO 41 7.650 20.020 -14.859 259 HB3 PRO 41 HB3 PRO 41 9.148 20.885 -14.514 260 HG2 PRO 41 HG2 PRO 41 8.015 20.709 -17.013 261 HG3 PRO 41 HG3 PRO 41 9.738 20.993 -16.718 262 HD2 PRO 41 HD2 PRO 41 8.331 18.457 -17.457 263 HD3 PRO 41 HD3 PRO 41 9.905 19.085 -17.995 264 H CYS 42 H CYS 42 9.188 18.010 -12.327 265 HA CYS 42 HA CYS 42 7.409 15.803 -12.811 266 HB2 CYS 42 HB2 CYS 42 7.562 15.442 -10.367 267 HB3 CYS 42 HB3 CYS 42 9.150 15.594 -11.108 268 HA PRO 43 HA PRO 43 3.582 17.918 -12.072 269 HB2 PRO 43 HB2 PRO 43 2.015 15.930 -11.184 270 HB3 PRO 43 HB3 PRO 43 2.639 15.947 -12.838 271 HG2 PRO 43 HG2 PRO 43 3.652 14.443 -10.451 272 HG3 PRO 43 HG3 PRO 43 3.403 13.865 -12.109 273 HD2 PRO 43 HD2 PRO 43 5.837 14.612 -11.148 274 HD3 PRO 43 HD3 PRO 43 5.380 14.766 -12.854 275 H ALA 44 H ALA 44 5.547 17.961 -9.806 276 HA ALA 44 HA ALA 44 4.229 17.527 -7.350 277 HB1 ALA 44 HB1 ALA 44 6.012 18.879 -6.379 278 HB2 ALA 44 HB2 ALA 44 6.487 19.421 -7.990 279 HB3 ALA 44 HB3 ALA 44 6.659 17.722 -7.544 280 HA PRO 45 HA PRO 45 1.356 20.825 -6.652 281 HB2 PRO 45 HB2 PRO 45 3.040 21.525 -4.287 282 HB3 PRO 45 HB3 PRO 45 1.294 21.277 -4.388 283 HG2 PRO 45 HG2 PRO 45 2.897 19.405 -3.369 284 HG3 PRO 45 HG3 PRO 45 1.481 18.974 -4.345 285 HD2 PRO 45 HD2 PRO 45 4.364 18.866 -5.027 286 HD3 PRO 45 HD3 PRO 45 3.020 17.880 -5.630 287 H ASP 46 H ASP 46 4.534 21.998 -5.507 288 HA ASP 46 HA ASP 46 4.223 24.287 -7.345 289 HB2 ASP 46 HB2 ASP 46 4.979 24.191 -4.486 290 HB3 ASP 46 HB3 ASP 46 5.918 25.283 -5.498 291 H CYS 47 H CYS 47 6.038 21.607 -6.484 292 HA CYS 47 HA CYS 47 7.992 20.722 -7.200 293 HB2 CYS 47 HB2 CYS 47 7.035 21.416 -9.421 294 HB3 CYS 47 HB3 CYS 47 7.962 22.902 -9.302 295 H HIS 48 H HIS 48 10.380 21.377 -7.757 296 HA HIS 48 HA HIS 48 11.289 23.896 -6.763 297 HB2 HIS 48 HB2 HIS 48 10.740 22.707 -4.625 298 HB3 HIS 48 HB3 HIS 48 11.925 21.483 -5.054 299 HD1 HIS 48 HD1 HIS 48 11.602 24.561 -3.204 300 HD2 HIS 48 HD2 HIS 48 14.654 22.689 -5.314 301 HE1 HIS 48 HE1 HIS 48 13.733 25.602 -2.389 302 HE2 HIS 48 HE2 HIS 48 15.546 24.241 -3.464 303 H CYS 49 H CYS 49 12.007 20.563 -7.653 304 HA CYS 49 HA CYS 49 14.786 20.979 -8.002 305 HB2 CYS 49 HB2 CYS 49 14.633 18.782 -9.271 306 HB3 CYS 49 HB3 CYS 49 14.117 18.761 -7.588 307 H GLU 50 H GLU 50 14.792 22.908 -9.250 308 HA GLU 50 HA GLU 50 14.008 22.717 -12.042 309 HB2 GLU 50 HB2 GLU 50 13.868 24.817 -10.533 310 HB3 GLU 50 HB3 GLU 50 15.603 24.935 -10.752 311 HG2 GLU 50 HG2 GLU 50 13.686 24.874 -13.061 312 HG3 GLU 50 HG3 GLU 50 14.140 26.366 -12.244 313 H ARG 51 H ARG 51 16.750 22.425 -9.986 314 HA ARG 51 HA ARG 51 18.614 22.220 -12.174 315 HB2 ARG 51 HB2 ARG 51 20.305 22.046 -10.411 316 HB3 ARG 51 HB3 ARG 51 19.305 23.467 -10.148 317 HG2 ARG 51 HG2 ARG 51 18.023 22.239 -8.459 318 HG3 ARG 51 HG3 ARG 51 19.046 20.831 -8.717 319 HD2 ARG 51 HD2 ARG 51 20.971 22.007 -7.923 320 HD3 ARG 51 HD3 ARG 51 20.075 23.523 -7.849 321 HE ARG 51 HE ARG 51 18.707 21.767 -6.224 322 HH11 ARG 51 HH11 ARG 51 21.956 23.081 -6.345 323 HH12 ARG 51 HH12 ARG 51 22.178 23.049 -4.632 324 HH21 ARG 51 HH21 ARG 51 18.981 21.717 -3.962 325 HH22 ARG 51 HH22 ARG 51 20.474 22.264 -3.258 326 H SER 52 H SER 52 19.788 20.283 -12.410 327 HA SER 52 HA SER 52 19.918 18.093 -12.682 328 HB2 SER 52 HB2 SER 52 20.524 18.156 -10.289 329 HB3 SER 52 HB3 SER 52 18.824 17.972 -9.866 330 HG SER 52 HG SER 52 20.437 16.097 -11.270 Start of MODEL 11 1 HA ASN 1 HA ASN 1 4.308 5.652 6.170 2 HB2 ASN 1 HB2 ASN 1 1.323 6.130 6.326 3 HB3 ASN 1 HB3 ASN 1 2.115 4.648 5.809 4 HD21 ASN 1 HD21 ASN 1 1.227 6.642 8.491 5 HD22 ASN 1 HD22 ASN 1 1.593 5.489 9.728 6 H GLU 2 H GLU 2 2.977 8.660 5.383 7 HA GLU 2 HA GLU 2 2.096 8.268 2.759 8 HB2 GLU 2 HB2 GLU 2 3.281 10.701 4.093 9 HB3 GLU 2 HB3 GLU 2 2.618 10.725 2.468 10 HG2 GLU 2 HG2 GLU 2 0.970 11.579 3.973 11 HG3 GLU 2 HG3 GLU 2 0.432 10.004 3.402 12 H LEU 3 H LEU 3 3.123 7.764 0.977 13 HA LEU 3 HA LEU 3 5.964 7.440 0.957 14 HB2 LEU 3 HB2 LEU 3 4.315 5.901 -0.141 15 HB3 LEU 3 HB3 LEU 3 4.015 7.157 -1.323 16 HG LEU 3 HG LEU 3 6.292 6.990 -2.145 17 HD11 LEU 3 HD11 LEU 3 7.793 5.226 -1.288 18 HD12 LEU 3 HD12 LEU 3 6.651 4.926 0.024 19 HD13 LEU 3 HD13 LEU 3 7.465 6.486 -0.101 20 HD21 LEU 3 HD21 LEU 3 4.997 4.281 -1.850 21 HD22 LEU 3 HD22 LEU 3 6.198 4.730 -3.061 22 HD23 LEU 3 HD23 LEU 3 4.604 5.486 -3.076 23 H ARG 4 H ARG 4 7.334 9.015 0.560 24 HA ARG 4 HA ARG 4 6.423 11.310 -1.008 25 HB2 ARG 4 HB2 ARG 4 8.415 12.483 0.041 26 HB3 ARG 4 HB3 ARG 4 7.116 12.049 1.138 27 HG2 ARG 4 HG2 ARG 4 9.093 11.532 2.283 28 HG3 ARG 4 HG3 ARG 4 8.485 9.981 1.705 29 HD2 ARG 4 HD2 ARG 4 10.016 10.381 -0.319 30 HD3 ARG 4 HD3 ARG 4 10.789 11.604 0.684 31 HE ARG 4 HE ARG 4 11.133 9.735 2.322 32 HH11 ARG 4 HH11 ARG 4 10.834 9.122 -1.120 33 HH12 ARG 4 HH12 ARG 4 11.815 7.691 -1.087 34 HH21 ARG 4 HH21 ARG 4 12.432 7.834 2.368 35 HH22 ARG 4 HH22 ARG 4 12.716 6.961 0.900 36 H CYS 5 H CYS 5 8.040 12.342 -2.411 37 HA CYS 5 HA CYS 5 9.050 10.422 -4.222 38 HB2 CYS 5 HB2 CYS 5 8.182 12.708 -4.786 39 HB3 CYS 5 HB3 CYS 5 9.703 13.365 -4.191 40 H GLY 6 H GLY 6 11.244 10.223 -5.002 41 HA2 GLY 6 HA2 GLY 6 13.101 10.065 -2.763 42 HA3 GLY 6 HA3 GLY 6 13.273 9.360 -4.364 43 H CYS 7 H CYS 7 12.388 12.221 -5.152 44 HA CYS 7 HA CYS 7 14.945 13.094 -5.924 45 HB2 CYS 7 HB2 CYS 7 12.554 13.710 -6.831 46 HB3 CYS 7 HB3 CYS 7 12.665 15.011 -5.655 47 HA PRO 8 HA PRO 8 15.981 14.585 -1.824 48 HB2 PRO 8 HB2 PRO 8 18.558 15.225 -2.379 49 HB3 PRO 8 HB3 PRO 8 18.012 13.570 -2.082 50 HG2 PRO 8 HG2 PRO 8 18.535 14.954 -4.682 51 HG3 PRO 8 HG3 PRO 8 18.955 13.304 -4.189 52 HD2 PRO 8 HD2 PRO 8 16.822 13.870 -5.760 53 HD3 PRO 8 HD3 PRO 8 16.834 12.503 -4.625 54 H ASP 9 H ASP 9 15.684 16.361 -4.651 55 HA ASP 9 HA ASP 9 16.349 18.858 -3.250 56 HB2 ASP 9 HB2 ASP 9 17.540 18.411 -5.408 57 HB3 ASP 9 HB3 ASP 9 15.984 18.462 -6.224 58 H CYS 10 H CYS 10 13.746 16.939 -4.180 59 HA CYS 10 HA CYS 10 11.974 19.278 -4.135 60 HB2 CYS 10 HB2 CYS 10 12.336 18.395 -6.458 61 HB3 CYS 10 HB3 CYS 10 11.555 16.905 -5.943 62 H HIS 11 H HIS 11 9.766 18.810 -3.563 63 HA HIS 11 HA HIS 11 9.494 16.417 -1.884 64 HB2 HIS 11 HB2 HIS 11 9.723 18.361 -0.446 65 HB3 HIS 11 HB3 HIS 11 8.479 19.219 -1.344 66 HD2 HIS 11 HD2 HIS 11 5.923 18.811 -0.448 67 HE1 HIS 11 HE1 HIS 11 6.802 15.740 2.334 68 HE2 HIS 11 HE2 HIS 11 5.001 17.128 1.280 69 H CYS 12 H CYS 12 8.336 15.175 -3.314 70 HA CYS 12 HA CYS 12 5.766 16.288 -4.231 71 HB2 CYS 12 HB2 CYS 12 6.838 13.835 -5.495 72 HB3 CYS 12 HB3 CYS 12 5.949 15.169 -6.204 73 H LYS 13 H LYS 13 3.926 15.088 -3.909 74 HA LYS 13 HA LYS 13 4.047 12.956 -1.990 75 HB2 LYS 13 HB2 LYS 13 1.600 12.883 -2.249 76 HB3 LYS 13 HB3 LYS 13 2.178 14.501 -1.892 77 HG2 LYS 13 HG2 LYS 13 1.879 15.182 -4.169 78 HG3 LYS 13 HG3 LYS 13 1.500 13.529 -4.659 79 HD2 LYS 13 HD2 LYS 13 -0.101 15.119 -2.676 80 HD3 LYS 13 HD3 LYS 13 -0.494 15.005 -4.394 81 HE2 LYS 13 HE2 LYS 13 -0.677 12.556 -4.154 82 HE3 LYS 13 HE3 LYS 13 -0.334 12.716 -2.433 83 HZ1 LYS 13 HZ1 LYS 13 -2.697 12.508 -2.878 84 HZ2 LYS 13 HZ2 LYS 13 -2.666 13.896 -3.830 85 HZ3 LYS 13 HZ3 LYS 13 -2.344 14.001 -2.174 86 H VAL 14 H VAL 14 3.829 10.796 -2.416 87 HA VAL 14 HA VAL 14 3.815 10.101 -5.263 88 HB VAL 14 HB VAL 14 5.243 8.746 -2.976 89 HG11 VAL 14 HG11 VAL 14 6.098 7.171 -4.605 90 HG12 VAL 14 HG12 VAL 14 5.122 7.923 -5.869 91 HG13 VAL 14 HG13 VAL 14 4.338 7.088 -4.525 92 HG21 VAL 14 HG21 VAL 14 7.247 9.302 -4.256 93 HG22 VAL 14 HG22 VAL 14 6.339 10.743 -3.796 94 HG23 VAL 14 HG23 VAL 14 6.249 10.133 -5.449 95 H ASP 15 H ASP 15 2.421 8.701 -5.988 96 HA ASP 15 HA ASP 15 0.464 7.542 -4.172 97 HB2 ASP 15 HB2 ASP 15 -0.271 8.785 -6.192 98 HB3 ASP 15 HB3 ASP 15 0.549 7.599 -7.190 99 HA PRO 16 HA PRO 16 2.757 3.725 -4.234 100 HB2 PRO 16 HB2 PRO 16 0.171 2.508 -3.458 101 HB3 PRO 16 HB3 PRO 16 1.730 2.458 -2.631 102 HG2 PRO 16 HG2 PRO 16 -0.268 3.961 -1.694 103 HG3 PRO 16 HG3 PRO 16 1.414 4.512 -1.615 104 HD2 PRO 16 HD2 PRO 16 -0.758 5.316 -3.509 105 HD3 PRO 16 HD3 PRO 16 0.491 6.308 -2.726 106 H GLU 17 H GLU 17 -0.069 4.329 -6.101 107 HA GLU 17 HA GLU 17 0.191 1.814 -7.562 108 HB2 GLU 17 HB2 GLU 17 -2.053 2.540 -6.931 109 HB3 GLU 17 HB3 GLU 17 -1.810 4.066 -7.761 110 HG2 GLU 17 HG2 GLU 17 -3.144 2.786 -9.179 111 HG3 GLU 17 HG3 GLU 17 -1.526 2.725 -9.871 112 H ARG 18 H ARG 18 0.864 5.226 -7.838 113 HA ARG 18 HA ARG 18 1.578 4.865 -10.684 114 HB2 ARG 18 HB2 ARG 18 1.139 7.508 -9.315 115 HB3 ARG 18 HB3 ARG 18 1.172 7.177 -11.039 116 HG2 ARG 18 HG2 ARG 18 -0.932 6.016 -10.905 117 HG3 ARG 18 HG3 ARG 18 -0.946 6.182 -9.146 118 HD2 ARG 18 HD2 ARG 18 -0.823 8.681 -9.541 119 HD3 ARG 18 HD3 ARG 18 -1.198 8.323 -11.228 120 HE ARG 18 HE ARG 18 -3.157 7.049 -9.888 121 HH11 ARG 18 HH11 ARG 18 -1.963 10.348 -9.777 122 HH12 ARG 18 HH12 ARG 18 -3.484 11.024 -9.304 123 HH21 ARG 18 HH21 ARG 18 -5.174 7.943 -9.255 124 HH22 ARG 18 HH22 ARG 18 -5.315 9.643 -8.986 125 H VAL 19 H VAL 19 3.103 4.431 -8.139 126 HA VAL 19 HA VAL 19 5.148 6.438 -8.119 127 HB VAL 19 HB VAL 19 4.727 5.476 -6.012 128 HG11 VAL 19 HG11 VAL 19 5.158 2.782 -7.282 129 HG12 VAL 19 HG12 VAL 19 3.642 3.443 -6.655 130 HG13 VAL 19 HG13 VAL 19 4.965 3.065 -5.551 131 HG21 VAL 19 HG21 VAL 19 7.291 4.300 -7.065 132 HG22 VAL 19 HG22 VAL 19 6.874 4.463 -5.360 133 HG23 VAL 19 HG23 VAL 19 7.071 5.903 -6.361 134 H PHE 20 H PHE 20 7.007 6.508 -9.113 135 HA PHE 20 HA PHE 20 7.808 4.277 -10.820 136 HB2 PHE 20 HB2 PHE 20 8.509 7.190 -10.704 137 HB3 PHE 20 HB3 PHE 20 9.607 6.069 -11.491 138 HD1 PHE 20 HD1 PHE 20 6.390 7.732 -11.649 139 HD2 PHE 20 HD2 PHE 20 8.965 4.951 -13.553 140 HE1 PHE 20 HE1 PHE 20 5.038 7.900 -13.702 141 HE2 PHE 20 HE2 PHE 20 7.630 5.109 -15.612 142 HZ PHE 20 HZ PHE 20 5.663 6.584 -15.688 143 H ASN 21 H ASN 21 9.083 2.833 -9.874 144 HA ASN 21 HA ASN 21 10.757 3.628 -7.647 145 HB2 ASN 21 HB2 ASN 21 9.562 1.526 -7.406 146 HB3 ASN 21 HB3 ASN 21 10.272 0.911 -8.893 147 HD21 ASN 21 HD21 ASN 21 12.379 0.186 -8.892 148 HD22 ASN 21 HD22 ASN 21 13.270 -0.098 -7.439 149 H HIS 22 H HIS 22 12.862 3.924 -7.708 150 HA HIS 22 HA HIS 22 14.469 2.885 -9.873 151 HB2 HIS 22 HB2 HIS 22 13.628 4.984 -10.841 152 HB3 HIS 22 HB3 HIS 22 14.182 5.876 -9.436 153 HD2 HIS 22 HD2 HIS 22 17.012 6.242 -9.316 154 HE1 HIS 22 HE1 HIS 22 17.652 5.082 -13.342 155 HE2 HIS 22 HE2 HIS 22 18.601 6.295 -11.358 156 H ASP 23 H ASP 23 16.336 2.250 -9.055 157 HA ASP 23 HA ASP 23 18.139 1.987 -7.706 158 HB2 ASP 23 HB2 ASP 23 18.380 4.478 -8.205 159 HB3 ASP 23 HB3 ASP 23 17.629 4.773 -6.642 160 H GLY 24 H GLY 24 15.342 1.472 -6.787 161 HA2 GLY 24 HA2 GLY 24 14.519 0.392 -4.898 162 HA3 GLY 24 HA3 GLY 24 15.994 0.826 -4.044 163 H GLU 25 H GLU 25 14.691 3.483 -5.572 164 HA GLU 25 HA GLU 25 13.441 4.396 -3.077 165 HB2 GLU 25 HB2 GLU 25 15.494 5.614 -3.825 166 HB3 GLU 25 HB3 GLU 25 14.648 6.015 -5.312 167 HG2 GLU 25 HG2 GLU 25 14.682 7.876 -3.751 168 HG3 GLU 25 HG3 GLU 25 13.044 7.330 -4.110 169 H ALA 26 H ALA 26 11.645 5.876 -3.354 170 HA ALA 26 HA ALA 26 9.947 5.064 -5.618 171 HB1 ALA 26 HB1 ALA 26 9.096 4.423 -3.424 172 HB2 ALA 26 HB2 ALA 26 8.047 5.624 -4.176 173 HB3 ALA 26 HB3 ALA 26 9.162 6.104 -2.897 174 H TYR 27 H TYR 27 9.232 6.562 -7.019 175 HA TYR 27 HA TYR 27 9.653 9.393 -6.328 176 HB2 TYR 27 HB2 TYR 27 10.111 8.038 -8.984 177 HB3 TYR 27 HB3 TYR 27 10.144 9.777 -8.736 178 HD1 TYR 27 HD1 TYR 27 11.912 6.619 -8.162 179 HD2 TYR 27 HD2 TYR 27 12.007 10.830 -7.618 180 HE1 TYR 27 HE1 TYR 27 14.310 6.494 -7.633 181 HE2 TYR 27 HE2 TYR 27 14.406 10.716 -7.103 182 HH TYR 27 HH TYR 27 16.027 9.019 -6.241 183 H CYS 28 H CYS 28 8.263 10.897 -7.434 184 HA CYS 28 HA CYS 28 5.551 10.016 -7.493 185 HB2 CYS 28 HB2 CYS 28 5.053 12.346 -8.060 186 HB3 CYS 28 HB3 CYS 28 6.193 12.255 -6.721 187 H SER 29 H SER 29 7.897 11.034 -9.914 188 HA SER 29 HA SER 29 6.339 9.711 -11.965 189 HB2 SER 29 HB2 SER 29 5.534 12.057 -11.942 190 HB3 SER 29 HB3 SER 29 7.185 12.612 -12.203 191 HG SER 29 HG SER 29 5.369 11.675 -14.003 192 H GLN 30 H GLN 30 7.676 10.316 -14.138 193 HA GLN 30 HA GLN 30 10.030 8.780 -13.902 194 HB2 GLN 30 HB2 GLN 30 10.316 9.435 -16.341 195 HB3 GLN 30 HB3 GLN 30 8.831 8.590 -15.911 196 HG2 GLN 30 HG2 GLN 30 7.545 10.550 -16.059 197 HG3 GLN 30 HG3 GLN 30 8.975 11.577 -16.062 198 HE21 GLN 30 HE21 GLN 30 10.130 11.827 -17.913 199 HE22 GLN 30 HE22 GLN 30 9.532 11.358 -19.469 200 H ALA 31 H ALA 31 9.495 12.267 -14.428 201 HA ALA 31 HA ALA 31 12.004 13.127 -15.083 202 HB1 ALA 31 HB1 ALA 31 10.113 14.620 -15.036 203 HB2 ALA 31 HB2 ALA 31 11.420 15.286 -14.060 204 HB3 ALA 31 HB3 ALA 31 10.037 14.521 -13.277 205 H CYS 32 H CYS 32 10.816 13.057 -11.704 206 HA CYS 32 HA CYS 32 13.286 13.689 -10.544 207 HB2 CYS 32 HB2 CYS 32 10.923 12.206 -9.391 208 HB3 CYS 32 HB3 CYS 32 12.283 12.794 -8.448 209 H ALA 33 H ALA 33 11.855 10.630 -11.404 210 HA ALA 33 HA ALA 33 13.598 8.950 -9.956 211 HB1 ALA 33 HB1 ALA 33 12.737 7.140 -11.358 212 HB2 ALA 33 HB2 ALA 33 12.027 8.319 -12.460 213 HB3 ALA 33 HB3 ALA 33 11.431 8.188 -10.806 214 H GLU 34 H GLU 34 13.688 10.286 -13.191 215 HA GLU 34 HA GLU 34 16.103 8.833 -13.913 216 HB2 GLU 34 HB2 GLU 34 14.531 10.927 -15.410 217 HB3 GLU 34 HB3 GLU 34 15.919 10.068 -16.052 218 HG2 GLU 34 HG2 GLU 34 14.658 7.951 -15.785 219 HG3 GLU 34 HG3 GLU 34 13.255 8.904 -15.295 220 H GLN 35 H GLN 35 15.615 11.339 -11.968 221 HA GLN 35 HA GLN 35 16.870 13.017 -11.140 222 HB2 GLN 35 HB2 GLN 35 19.008 11.699 -12.812 223 HB3 GLN 35 HB3 GLN 35 19.328 13.099 -11.797 224 HG2 GLN 35 HG2 GLN 35 18.237 10.472 -10.810 225 HG3 GLN 35 HG3 GLN 35 19.932 10.955 -10.738 226 HE21 GLN 35 HE21 GLN 35 16.741 11.467 -9.445 227 HE22 GLN 35 HE22 GLN 35 17.232 12.404 -8.080 228 H HIS 36 H HIS 36 15.404 13.182 -13.729 229 HA HIS 36 HA HIS 36 14.834 14.747 -15.266 230 HB2 HIS 36 HB2 HIS 36 16.492 16.670 -13.616 231 HB3 HIS 36 HB3 HIS 36 15.180 17.078 -14.717 232 HD1 HIS 36 HD1 HIS 36 12.961 17.406 -13.614 233 HD2 HIS 36 HD2 HIS 36 15.475 14.973 -11.372 234 HE1 HIS 36 HE1 HIS 36 11.731 16.920 -11.492 235 HA PRO 37 HA PRO 37 18.901 14.455 -17.425 236 HB2 PRO 37 HB2 PRO 37 18.160 12.821 -19.416 237 HB3 PRO 37 HB3 PRO 37 18.567 12.199 -17.812 238 HG2 PRO 37 HG2 PRO 37 15.877 12.680 -19.030 239 HG3 PRO 37 HG3 PRO 37 16.431 11.313 -18.047 240 HD2 PRO 37 HD2 PRO 37 14.963 13.419 -17.067 241 HD3 PRO 37 HD3 PRO 37 16.048 12.422 -16.080 242 H ASN 38 H ASN 38 15.696 15.315 -18.376 243 HA ASN 38 HA ASN 38 16.771 16.769 -20.706 244 HB2 ASN 38 HB2 ASN 38 13.978 15.700 -20.278 245 HB3 ASN 38 HB3 ASN 38 14.488 16.663 -21.658 246 HD21 ASN 38 HD21 ASN 38 17.110 15.360 -21.797 247 HD22 ASN 38 HD22 ASN 38 16.817 13.794 -22.460 248 H GLY 39 H GLY 39 15.893 17.286 -17.638 249 HA2 GLY 39 HA2 GLY 39 15.566 19.311 -16.550 250 HA3 GLY 39 HA3 GLY 39 15.345 20.080 -18.116 251 H GLU 40 H GLU 40 13.544 17.252 -17.432 252 HA GLU 40 HA GLU 40 11.075 18.588 -17.796 253 HB2 GLU 40 HB2 GLU 40 11.609 15.778 -16.829 254 HB3 GLU 40 HB3 GLU 40 10.066 16.393 -17.399 255 HG2 GLU 40 HG2 GLU 40 12.573 16.111 -19.023 256 HG3 GLU 40 HG3 GLU 40 11.167 15.050 -19.082 257 HA PRO 41 HA PRO 41 10.355 19.368 -13.430 258 HB2 PRO 41 HB2 PRO 41 7.996 20.613 -13.670 259 HB3 PRO 41 HB3 PRO 41 9.494 21.398 -14.187 260 HG2 PRO 41 HG2 PRO 41 7.407 20.029 -15.836 261 HG3 PRO 41 HG3 PRO 41 8.284 21.533 -16.166 262 HD2 PRO 41 HD2 PRO 41 8.933 19.081 -17.248 263 HD3 PRO 41 HD3 PRO 41 10.078 20.423 -17.054 264 H CYS 42 H CYS 42 9.049 18.418 -11.811 265 HA CYS 42 HA CYS 42 7.528 16.115 -12.729 266 HB2 CYS 42 HB2 CYS 42 7.651 15.382 -10.392 267 HB3 CYS 42 HB3 CYS 42 9.246 15.787 -11.007 268 HA PRO 43 HA PRO 43 3.560 17.904 -11.806 269 HB2 PRO 43 HB2 PRO 43 2.141 15.742 -11.032 270 HB3 PRO 43 HB3 PRO 43 2.678 15.965 -12.703 271 HG2 PRO 43 HG2 PRO 43 3.923 14.320 -10.522 272 HG3 PRO 43 HG3 PRO 43 3.595 13.869 -12.206 273 HD2 PRO 43 HD2 PRO 43 6.046 14.643 -11.402 274 HD3 PRO 43 HD3 PRO 43 5.414 15.040 -13.010 275 H ALA 44 H ALA 44 5.515 17.998 -9.573 276 HA ALA 44 HA ALA 44 3.919 17.422 -7.214 277 HB1 ALA 44 HB1 ALA 44 6.659 18.657 -7.437 278 HB2 ALA 44 HB2 ALA 44 6.326 16.944 -7.202 279 HB3 ALA 44 HB3 ALA 44 5.875 18.110 -5.955 280 HA PRO 45 HA PRO 45 2.350 21.588 -6.972 281 HB2 PRO 45 HB2 PRO 45 1.436 21.529 -4.441 282 HB3 PRO 45 HB3 PRO 45 0.644 20.613 -5.731 283 HG2 PRO 45 HG2 PRO 45 2.639 19.669 -3.700 284 HG3 PRO 45 HG3 PRO 45 1.096 18.920 -4.168 285 HD2 PRO 45 HD2 PRO 45 3.461 18.074 -5.145 286 HD3 PRO 45 HD3 PRO 45 1.982 18.059 -6.128 287 H ASP 46 H ASP 46 4.727 20.267 -4.816 288 HA ASP 46 HA ASP 46 5.572 22.975 -4.012 289 HB2 ASP 46 HB2 ASP 46 4.803 21.423 -2.168 290 HB3 ASP 46 HB3 ASP 46 6.148 20.366 -2.575 291 H CYS 47 H CYS 47 6.174 21.581 -6.458 292 HA CYS 47 HA CYS 47 8.611 20.264 -6.539 293 HB2 CYS 47 HB2 CYS 47 7.127 20.354 -8.464 294 HB3 CYS 47 HB3 CYS 47 7.413 22.083 -8.628 295 H HIS 48 H HIS 48 10.682 20.815 -6.659 296 HA HIS 48 HA HIS 48 11.390 23.674 -6.517 297 HB2 HIS 48 HB2 HIS 48 11.566 22.622 -4.282 298 HB3 HIS 48 HB3 HIS 48 12.657 21.416 -4.945 299 HD1 HIS 48 HD1 HIS 48 15.096 22.138 -5.415 300 HD2 HIS 48 HD2 HIS 48 12.700 25.150 -3.832 301 HE1 HIS 48 HE1 HIS 48 16.668 23.965 -4.719 302 HE2 HIS 48 HE2 HIS 48 15.189 25.835 -3.926 303 H CYS 49 H CYS 49 11.804 20.678 -8.008 304 HA CYS 49 HA CYS 49 14.497 21.271 -8.948 305 HB2 CYS 49 HB2 CYS 49 14.332 18.929 -9.848 306 HB3 CYS 49 HB3 CYS 49 14.244 19.071 -8.092 307 H GLU 50 H GLU 50 14.967 20.893 -11.219 308 HA GLU 50 HA GLU 50 13.036 20.660 -13.241 309 HB2 GLU 50 HB2 GLU 50 12.380 22.926 -12.474 310 HB3 GLU 50 HB3 GLU 50 14.020 23.486 -12.769 311 HG2 GLU 50 HG2 GLU 50 13.731 22.896 -15.158 312 HG3 GLU 50 HG3 GLU 50 12.047 22.509 -14.813 313 H ARG 51 H ARG 51 15.906 22.633 -12.656 314 HA ARG 51 HA ARG 51 17.136 21.703 -15.104 315 HB2 ARG 51 HB2 ARG 51 18.965 23.283 -14.423 316 HB3 ARG 51 HB3 ARG 51 17.388 24.029 -14.644 317 HG2 ARG 51 HG2 ARG 51 17.049 24.071 -12.246 318 HG3 ARG 51 HG3 ARG 51 18.591 23.254 -11.997 319 HD2 ARG 51 HD2 ARG 51 19.759 25.151 -12.979 320 HD3 ARG 51 HD3 ARG 51 18.220 25.964 -13.266 321 HE ARG 51 HE ARG 51 17.977 25.751 -10.728 322 HH11 ARG 51 HH11 ARG 51 21.032 26.292 -12.389 323 HH12 ARG 51 HH12 ARG 51 21.761 27.083 -11.035 324 HH21 ARG 51 HH21 ARG 51 18.953 26.779 -8.945 325 HH22 ARG 51 HH22 ARG 51 20.578 27.364 -9.070 326 H SER 52 H SER 52 18.754 20.281 -15.261 327 HA SER 52 HA SER 52 20.375 19.537 -13.004 328 HB2 SER 52 HB2 SER 52 18.553 17.463 -14.258 329 HB3 SER 52 HB3 SER 52 19.798 17.144 -13.049 330 HG SER 52 HG SER 52 18.188 19.117 -12.208 Start of MODEL 12 1 HA ASN 1 HA ASN 1 1.419 9.678 3.451 2 HB2 ASN 1 HB2 ASN 1 0.894 9.239 5.804 3 HB3 ASN 1 HB3 ASN 1 -0.230 8.383 4.760 4 HD21 ASN 1 HD21 ASN 1 0.473 7.878 7.529 5 HD22 ASN 1 HD22 ASN 1 1.085 6.258 7.592 6 H GLU 2 H GLU 2 3.466 6.923 3.758 7 HA GLU 2 HA GLU 2 5.570 8.600 4.967 8 HB2 GLU 2 HB2 GLU 2 5.328 5.589 4.897 9 HB3 GLU 2 HB3 GLU 2 6.656 6.482 5.615 10 HG2 GLU 2 HG2 GLU 2 5.145 7.443 7.252 11 HG3 GLU 2 HG3 GLU 2 3.788 6.595 6.509 12 H LEU 3 H LEU 3 4.496 7.690 2.100 13 HA LEU 3 HA LEU 3 7.083 6.975 0.948 14 HB2 LEU 3 HB2 LEU 3 5.016 5.624 0.464 15 HB3 LEU 3 HB3 LEU 3 4.376 7.020 -0.376 16 HG LEU 3 HG LEU 3 6.189 6.887 -2.014 17 HD11 LEU 3 HD11 LEU 3 7.676 4.925 -2.017 18 HD12 LEU 3 HD12 LEU 3 7.051 4.474 -0.430 19 HD13 LEU 3 HD13 LEU 3 7.946 5.979 -0.632 20 HD21 LEU 3 HD21 LEU 3 4.112 5.677 -2.425 21 HD22 LEU 3 HD22 LEU 3 4.760 4.267 -1.585 22 HD23 LEU 3 HD23 LEU 3 5.496 4.810 -3.094 23 H ARG 4 H ARG 4 8.281 8.621 0.274 24 HA ARG 4 HA ARG 4 6.908 10.977 -0.848 25 HB2 ARG 4 HB2 ARG 4 9.584 11.050 0.553 26 HB3 ARG 4 HB3 ARG 4 8.641 12.418 -0.005 27 HG2 ARG 4 HG2 ARG 4 8.185 12.497 2.225 28 HG3 ARG 4 HG3 ARG 4 6.869 11.446 1.693 29 HD2 ARG 4 HD2 ARG 4 7.978 10.562 3.690 30 HD3 ARG 4 HD3 ARG 4 8.169 9.482 2.308 31 HE ARG 4 HE ARG 4 10.350 11.299 2.530 32 HH11 ARG 4 HH11 ARG 4 9.065 8.327 3.876 33 HH12 ARG 4 HH12 ARG 4 10.612 7.735 4.372 34 HH21 ARG 4 HH21 ARG 4 12.412 10.497 3.165 35 HH22 ARG 4 HH22 ARG 4 12.519 8.961 3.952 36 H CYS 5 H CYS 5 8.358 12.257 -2.307 37 HA CYS 5 HA CYS 5 9.341 10.532 -4.346 38 HB2 CYS 5 HB2 CYS 5 8.162 12.776 -4.645 39 HB3 CYS 5 HB3 CYS 5 9.695 13.523 -4.213 40 H GLY 6 H GLY 6 11.431 10.215 -5.033 41 HA2 GLY 6 HA2 GLY 6 13.475 10.441 -2.999 42 HA3 GLY 6 HA3 GLY 6 13.601 9.686 -4.577 43 H CYS 7 H CYS 7 12.431 12.500 -5.316 44 HA CYS 7 HA CYS 7 14.881 13.484 -6.296 45 HB2 CYS 7 HB2 CYS 7 12.374 13.942 -7.027 46 HB3 CYS 7 HB3 CYS 7 12.568 15.326 -5.962 47 HA PRO 8 HA PRO 8 16.152 15.278 -2.389 48 HB2 PRO 8 HB2 PRO 8 18.526 16.263 -3.310 49 HB3 PRO 8 HB3 PRO 8 18.283 14.576 -2.851 50 HG2 PRO 8 HG2 PRO 8 18.282 15.817 -5.566 51 HG3 PRO 8 HG3 PRO 8 18.984 14.278 -5.038 52 HD2 PRO 8 HD2 PRO 8 16.629 14.429 -6.360 53 HD3 PRO 8 HD3 PRO 8 16.949 13.172 -5.143 54 H ASP 9 H ASP 9 15.510 16.859 -5.348 55 HA ASP 9 HA ASP 9 15.797 19.494 -4.083 56 HB2 ASP 9 HB2 ASP 9 15.784 18.706 -6.995 57 HB3 ASP 9 HB3 ASP 9 15.676 20.375 -6.449 58 H CYS 10 H CYS 10 13.450 17.298 -4.428 59 HA CYS 10 HA CYS 10 11.397 19.342 -4.480 60 HB2 CYS 10 HB2 CYS 10 11.930 18.506 -6.893 61 HB3 CYS 10 HB3 CYS 10 11.064 17.057 -6.400 62 H HIS 11 H HIS 11 9.462 18.670 -3.535 63 HA HIS 11 HA HIS 11 9.504 15.957 -2.421 64 HB2 HIS 11 HB2 HIS 11 8.403 16.755 -0.377 65 HB3 HIS 11 HB3 HIS 11 9.934 17.578 -0.616 66 HD2 HIS 11 HD2 HIS 11 9.313 20.243 -2.045 67 HE1 HIS 11 HE1 HIS 11 5.862 20.645 0.380 68 HE2 HIS 11 HE2 HIS 11 7.313 21.729 -1.362 69 H CYS 12 H CYS 12 8.216 14.965 -3.792 70 HA CYS 12 HA CYS 12 5.615 16.168 -4.413 71 HB2 CYS 12 HB2 CYS 12 6.799 13.829 -5.844 72 HB3 CYS 12 HB3 CYS 12 5.659 15.031 -6.436 73 H LYS 13 H LYS 13 3.708 14.864 -4.319 74 HA LYS 13 HA LYS 13 3.601 12.961 -2.307 75 HB2 LYS 13 HB2 LYS 13 1.823 14.558 -2.983 76 HB3 LYS 13 HB3 LYS 13 1.655 13.664 -4.489 77 HG2 LYS 13 HG2 LYS 13 1.312 11.664 -3.059 78 HG3 LYS 13 HG3 LYS 13 1.102 12.807 -1.732 79 HD2 LYS 13 HD2 LYS 13 -1.092 12.224 -2.623 80 HD3 LYS 13 HD3 LYS 13 -0.722 13.903 -3.022 81 HE2 LYS 13 HE2 LYS 13 -0.124 13.291 -5.275 82 HE3 LYS 13 HE3 LYS 13 -0.274 11.578 -4.893 83 HZ1 LYS 13 HZ1 LYS 13 -2.499 13.540 -4.843 84 HZ2 LYS 13 HZ2 LYS 13 -2.627 11.878 -4.558 85 HZ3 LYS 13 HZ3 LYS 13 -2.198 12.440 -6.091 86 H VAL 14 H VAL 14 3.847 10.794 -2.522 87 HA VAL 14 HA VAL 14 3.920 9.727 -5.253 88 HB VAL 14 HB VAL 14 5.426 8.739 -2.831 89 HG11 VAL 14 HG11 VAL 14 6.502 7.192 -4.380 90 HG12 VAL 14 HG12 VAL 14 5.458 7.769 -5.682 91 HG13 VAL 14 HG13 VAL 14 4.763 6.917 -4.302 92 HG21 VAL 14 HG21 VAL 14 6.339 10.802 -3.732 93 HG22 VAL 14 HG22 VAL 14 6.378 10.089 -5.345 94 HG23 VAL 14 HG23 VAL 14 7.413 9.443 -4.071 95 H ASP 15 H ASP 15 2.449 8.325 -5.737 96 HA ASP 15 HA ASP 15 0.756 7.208 -3.626 97 HB2 ASP 15 HB2 ASP 15 -0.211 8.427 -5.657 98 HB3 ASP 15 HB3 ASP 15 0.319 7.051 -6.601 99 HA PRO 16 HA PRO 16 2.708 3.218 -3.968 100 HB2 PRO 16 HB2 PRO 16 -0.019 2.186 -3.381 101 HB3 PRO 16 HB3 PRO 16 1.506 1.856 -2.555 102 HG2 PRO 16 HG2 PRO 16 -0.312 3.455 -1.454 103 HG3 PRO 16 HG3 PRO 16 1.418 3.817 -1.324 104 HD2 PRO 16 HD2 PRO 16 -0.653 5.059 -3.084 105 HD3 PRO 16 HD3 PRO 16 0.716 5.812 -2.238 106 H GLU 17 H GLU 17 -0.144 4.118 -5.764 107 HA GLU 17 HA GLU 17 0.150 1.825 -7.558 108 HB2 GLU 17 HB2 GLU 17 -2.113 2.432 -6.834 109 HB3 GLU 17 HB3 GLU 17 -1.903 4.043 -7.497 110 HG2 GLU 17 HG2 GLU 17 -1.701 3.079 -9.740 111 HG3 GLU 17 HG3 GLU 17 -1.952 1.475 -9.057 112 H ARG 18 H ARG 18 0.840 5.195 -7.327 113 HA ARG 18 HA ARG 18 1.727 5.187 -10.124 114 HB2 ARG 18 HB2 ARG 18 0.629 7.557 -8.592 115 HB3 ARG 18 HB3 ARG 18 1.271 7.611 -10.226 116 HG2 ARG 18 HG2 ARG 18 -0.874 7.380 -10.834 117 HG3 ARG 18 HG3 ARG 18 -0.601 5.676 -10.467 118 HD2 ARG 18 HD2 ARG 18 -2.611 6.318 -9.375 119 HD3 ARG 18 HD3 ARG 18 -1.368 6.132 -8.138 120 HE ARG 18 HE ARG 18 -1.314 8.787 -8.840 121 HH11 ARG 18 HH11 ARG 18 -3.685 6.580 -7.509 122 HH12 ARG 18 HH12 ARG 18 -4.557 7.816 -6.675 123 HH21 ARG 18 HH21 ARG 18 -2.472 10.431 -7.738 124 HH22 ARG 18 HH22 ARG 18 -3.875 10.012 -6.814 125 H VAL 19 H VAL 19 3.527 4.244 -8.689 126 HA VAL 19 HA VAL 19 5.351 6.452 -8.067 127 HB VAL 19 HB VAL 19 4.890 5.510 -5.948 128 HG11 VAL 19 HG11 VAL 19 5.289 2.795 -7.189 129 HG12 VAL 19 HG12 VAL 19 3.769 3.483 -6.604 130 HG13 VAL 19 HG13 VAL 19 5.065 3.100 -5.467 131 HG21 VAL 19 HG21 VAL 19 7.010 4.457 -5.276 132 HG22 VAL 19 HG22 VAL 19 7.250 5.882 -6.290 133 HG23 VAL 19 HG23 VAL 19 7.435 4.269 -6.978 134 H PHE 20 H PHE 20 7.151 6.475 -9.183 135 HA PHE 20 HA PHE 20 7.899 4.099 -10.704 136 HB2 PHE 20 HB2 PHE 20 8.596 7.013 -10.929 137 HB3 PHE 20 HB3 PHE 20 9.590 5.793 -11.708 138 HD1 PHE 20 HD1 PHE 20 6.493 7.637 -11.797 139 HD2 PHE 20 HD2 PHE 20 8.610 4.376 -13.499 140 HE1 PHE 20 HE1 PHE 20 4.937 7.633 -13.706 141 HE2 PHE 20 HE2 PHE 20 7.068 4.363 -15.414 142 HZ PHE 20 HZ PHE 20 5.226 5.994 -15.519 143 H ASN 21 H ASN 21 9.170 2.785 -9.609 144 HA ASN 21 HA ASN 21 10.930 3.871 -7.569 145 HB2 ASN 21 HB2 ASN 21 11.298 1.526 -6.903 146 HB3 ASN 21 HB3 ASN 21 9.588 1.936 -6.936 147 HD21 ASN 21 HD21 ASN 21 12.129 0.119 -8.445 148 HD22 ASN 21 HD22 ASN 21 11.114 -0.898 -9.403 149 H HIS 22 H HIS 22 13.091 3.831 -7.619 150 HA HIS 22 HA HIS 22 14.435 2.394 -9.726 151 HB2 HIS 22 HB2 HIS 22 14.047 4.424 -10.912 152 HB3 HIS 22 HB3 HIS 22 14.530 5.404 -9.538 153 HD2 HIS 22 HD2 HIS 22 17.161 6.081 -9.498 154 HE1 HIS 22 HE1 HIS 22 18.475 3.464 -12.570 155 HE2 HIS 22 HE2 HIS 22 19.163 5.244 -10.925 156 H ASP 23 H ASP 23 16.093 1.410 -8.865 157 HA ASP 23 HA ASP 23 17.890 0.877 -7.602 158 HB2 ASP 23 HB2 ASP 23 18.745 3.035 -8.535 159 HB3 ASP 23 HB3 ASP 23 18.149 3.853 -7.097 160 H GLY 24 H GLY 24 15.190 1.189 -6.372 161 HA2 GLY 24 HA2 GLY 24 14.604 0.338 -4.237 162 HA3 GLY 24 HA3 GLY 24 16.117 0.963 -3.600 163 H GLU 25 H GLU 25 15.248 3.480 -5.283 164 HA GLU 25 HA GLU 25 13.829 4.689 -3.036 165 HB2 GLU 25 HB2 GLU 25 16.005 5.667 -3.985 166 HB3 GLU 25 HB3 GLU 25 15.047 6.106 -5.392 167 HG2 GLU 25 HG2 GLU 25 13.777 7.653 -4.209 168 HG3 GLU 25 HG3 GLU 25 14.267 7.001 -2.649 169 H ALA 26 H ALA 26 12.039 6.087 -3.469 170 HA ALA 26 HA ALA 26 10.475 5.155 -5.780 171 HB1 ALA 26 HB1 ALA 26 9.477 6.127 -3.104 172 HB2 ALA 26 HB2 ALA 26 9.566 4.444 -3.624 173 HB3 ALA 26 HB3 ALA 26 8.476 5.561 -4.440 174 H TYR 27 H TYR 27 9.361 6.623 -7.021 175 HA TYR 27 HA TYR 27 9.761 9.463 -6.389 176 HB2 TYR 27 HB2 TYR 27 10.163 8.178 -9.091 177 HB3 TYR 27 HB3 TYR 27 10.236 9.903 -8.757 178 HD1 TYR 27 HD1 TYR 27 11.997 6.712 -8.532 179 HD2 TYR 27 HD2 TYR 27 12.129 10.838 -7.505 180 HE1 TYR 27 HE1 TYR 27 14.392 6.518 -8.055 181 HE2 TYR 27 HE2 TYR 27 14.529 10.644 -7.041 182 HH TYR 27 HH TYR 27 16.088 8.677 -6.303 183 H CYS 28 H CYS 28 8.226 10.880 -7.376 184 HA CYS 28 HA CYS 28 5.591 9.821 -7.384 185 HB2 CYS 28 HB2 CYS 28 4.897 12.091 -7.898 186 HB3 CYS 28 HB3 CYS 28 6.143 12.114 -6.655 187 H SER 29 H SER 29 7.846 10.832 -9.863 188 HA SER 29 HA SER 29 6.190 9.573 -11.898 189 HB2 SER 29 HB2 SER 29 6.449 11.545 -13.366 190 HB3 SER 29 HB3 SER 29 5.507 11.908 -11.919 191 HG SER 29 HG SER 29 7.299 12.908 -11.019 192 H GLN 30 H GLN 30 7.480 9.792 -14.075 193 HA GLN 30 HA GLN 30 10.002 8.576 -13.611 194 HB2 GLN 30 HB2 GLN 30 10.203 8.454 -16.055 195 HB3 GLN 30 HB3 GLN 30 8.669 7.827 -15.481 196 HG2 GLN 30 HG2 GLN 30 8.943 10.626 -16.504 197 HG3 GLN 30 HG3 GLN 30 8.688 9.266 -17.595 198 HE21 GLN 30 HE21 GLN 30 7.254 11.436 -15.349 199 HE22 GLN 30 HE22 GLN 30 5.635 10.854 -15.489 200 H ALA 31 H ALA 31 9.010 11.814 -13.943 201 HA ALA 31 HA ALA 31 11.302 12.929 -15.160 202 HB1 ALA 31 HB1 ALA 31 9.225 14.172 -14.953 203 HB2 ALA 31 HB2 ALA 31 10.539 15.043 -14.163 204 HB3 ALA 31 HB3 ALA 31 9.365 14.148 -13.196 205 H CYS 32 H CYS 32 10.363 12.887 -11.735 206 HA CYS 32 HA CYS 32 12.887 13.709 -10.798 207 HB2 CYS 32 HB2 CYS 32 10.622 12.298 -9.380 208 HB3 CYS 32 HB3 CYS 32 12.016 13.002 -8.578 209 H ALA 33 H ALA 33 11.568 10.608 -11.605 210 HA ALA 33 HA ALA 33 13.346 8.988 -10.077 211 HB1 ALA 33 HB1 ALA 33 12.534 7.112 -11.370 212 HB2 ALA 33 HB2 ALA 33 11.857 8.200 -12.584 213 HB3 ALA 33 HB3 ALA 33 11.178 8.164 -10.957 214 H GLU 34 H GLU 34 13.314 10.028 -13.429 215 HA GLU 34 HA GLU 34 15.835 8.743 -14.008 216 HB2 GLU 34 HB2 GLU 34 14.091 10.567 -15.664 217 HB3 GLU 34 HB3 GLU 34 15.580 9.834 -16.244 218 HG2 GLU 34 HG2 GLU 34 13.150 8.326 -15.303 219 HG3 GLU 34 HG3 GLU 34 13.587 8.623 -16.985 220 H GLN 35 H GLN 35 15.137 11.303 -12.252 221 HA GLN 35 HA GLN 35 16.270 13.067 -11.445 222 HB2 GLN 35 HB2 GLN 35 18.598 11.871 -12.946 223 HB3 GLN 35 HB3 GLN 35 18.715 13.126 -11.718 224 HG2 GLN 35 HG2 GLN 35 17.786 11.593 -10.060 225 HG3 GLN 35 HG3 GLN 35 17.671 10.336 -11.290 226 HE21 GLN 35 HE21 GLN 35 19.778 12.175 -9.262 227 HE22 GLN 35 HE22 GLN 35 21.177 11.184 -9.483 228 H HIS 36 H HIS 36 14.920 13.141 -14.015 229 HA HIS 36 HA HIS 36 14.425 14.572 -15.689 230 HB2 HIS 36 HB2 HIS 36 15.965 16.650 -14.117 231 HB3 HIS 36 HB3 HIS 36 14.644 16.925 -15.246 232 HD1 HIS 36 HD1 HIS 36 12.378 17.180 -14.185 233 HD2 HIS 36 HD2 HIS 36 15.037 15.120 -11.739 234 HE1 HIS 36 HE1 HIS 36 11.174 16.800 -12.012 235 HA PRO 37 HA PRO 37 18.565 14.348 -17.699 236 HB2 PRO 37 HB2 PRO 37 18.002 12.502 -19.556 237 HB3 PRO 37 HB3 PRO 37 18.400 12.048 -17.895 238 HG2 PRO 37 HG2 PRO 37 15.734 12.204 -19.230 239 HG3 PRO 37 HG3 PRO 37 16.344 10.996 -18.087 240 HD2 PRO 37 HD2 PRO 37 14.693 13.109 -17.418 241 HD3 PRO 37 HD3 PRO 37 15.748 12.253 -16.276 242 H ASN 38 H ASN 38 15.327 14.971 -18.752 243 HA ASN 38 HA ASN 38 16.387 16.304 -21.171 244 HB2 ASN 38 HB2 ASN 38 14.683 14.293 -21.312 245 HB3 ASN 38 HB3 ASN 38 13.507 15.539 -20.923 246 HD21 ASN 38 HD21 ASN 38 14.880 17.652 -22.357 247 HD22 ASN 38 HD22 ASN 38 14.673 17.319 -24.040 248 H GLY 39 H GLY 39 14.711 16.641 -18.220 249 HA2 GLY 39 HA2 GLY 39 14.492 18.805 -17.210 250 HA3 GLY 39 HA3 GLY 39 14.301 19.493 -18.821 251 H GLU 40 H GLU 40 12.740 16.572 -17.853 252 HA GLU 40 HA GLU 40 10.164 17.705 -18.420 253 HB2 GLU 40 HB2 GLU 40 9.357 15.369 -17.872 254 HB3 GLU 40 HB3 GLU 40 10.480 15.490 -19.213 255 HG2 GLU 40 HG2 GLU 40 11.425 14.798 -16.451 256 HG3 GLU 40 HG3 GLU 40 10.770 13.574 -17.533 257 HA PRO 41 HA PRO 41 9.355 18.734 -14.191 258 HB2 PRO 41 HB2 PRO 41 6.828 19.574 -14.457 259 HB3 PRO 41 HB3 PRO 41 8.181 20.487 -15.135 260 HG2 PRO 41 HG2 PRO 41 6.274 18.634 -16.500 261 HG3 PRO 41 HG3 PRO 41 6.903 20.195 -17.053 262 HD2 PRO 41 HD2 PRO 41 7.883 17.756 -17.870 263 HD3 PRO 41 HD3 PRO 41 8.823 19.261 -17.874 264 H CYS 42 H CYS 42 8.207 18.005 -12.403 265 HA CYS 42 HA CYS 42 6.910 15.416 -12.722 266 HB2 CYS 42 HB2 CYS 42 7.303 15.212 -10.282 267 HB3 CYS 42 HB3 CYS 42 8.787 15.551 -11.160 268 HA PRO 43 HA PRO 43 2.880 17.058 -11.832 269 HB2 PRO 43 HB2 PRO 43 1.699 15.050 -10.482 270 HB3 PRO 43 HB3 PRO 43 2.128 14.910 -12.192 271 HG2 PRO 43 HG2 PRO 43 3.620 13.916 -9.790 272 HG3 PRO 43 HG3 PRO 43 3.240 13.061 -11.299 273 HD2 PRO 43 HD2 PRO 43 5.653 14.182 -10.860 274 HD3 PRO 43 HD3 PRO 43 4.917 14.124 -12.471 275 H ALA 44 H ALA 44 5.063 17.513 -9.696 276 HA ALA 44 HA ALA 44 3.532 17.536 -7.249 277 HB1 ALA 44 HB1 ALA 44 5.918 17.059 -7.164 278 HB2 ALA 44 HB2 ALA 44 5.524 18.513 -6.246 279 HB3 ALA 44 HB3 ALA 44 6.266 18.650 -7.840 280 HA PRO 45 HA PRO 45 1.822 21.585 -8.018 281 HB2 PRO 45 HB2 PRO 45 0.861 22.002 -5.512 282 HB3 PRO 45 HB3 PRO 45 0.073 20.912 -6.658 283 HG2 PRO 45 HG2 PRO 45 2.001 20.255 -4.453 284 HG3 PRO 45 HG3 PRO 45 0.449 19.476 -4.836 285 HD2 PRO 45 HD2 PRO 45 2.768 18.402 -5.597 286 HD3 PRO 45 HD3 PRO 45 1.346 18.347 -6.659 287 H ASP 46 H ASP 46 4.018 20.792 -5.408 288 HA ASP 46 HA ASP 46 4.845 23.614 -5.217 289 HB2 ASP 46 HB2 ASP 46 3.989 22.409 -3.138 290 HB3 ASP 46 HB3 ASP 46 5.431 21.406 -3.231 291 H CYS 47 H CYS 47 5.602 21.765 -7.294 292 HA CYS 47 HA CYS 47 8.071 20.553 -7.049 293 HB2 CYS 47 HB2 CYS 47 6.779 20.252 -9.047 294 HB3 CYS 47 HB3 CYS 47 6.845 21.971 -9.414 295 H HIS 48 H HIS 48 10.103 21.190 -6.880 296 HA HIS 48 HA HIS 48 10.809 23.962 -7.519 297 HB2 HIS 48 HB2 HIS 48 11.341 22.588 -4.886 298 HB3 HIS 48 HB3 HIS 48 12.249 23.996 -5.417 299 HD1 HIS 48 HD1 HIS 48 9.815 23.368 -3.112 300 HD2 HIS 48 HD2 HIS 48 9.939 26.014 -6.311 301 HE1 HIS 48 HE1 HIS 48 8.151 25.163 -2.567 302 HE2 HIS 48 HE2 HIS 48 8.343 26.821 -4.438 303 H CYS 49 H CYS 49 11.275 21.216 -8.668 304 HA CYS 49 HA CYS 49 13.872 20.316 -8.307 305 HB2 CYS 49 HB2 CYS 49 12.245 20.349 -10.849 306 HB3 CYS 49 HB3 CYS 49 13.696 19.391 -10.590 307 H GLU 50 H GLU 50 15.681 21.434 -8.414 308 HA GLU 50 HA GLU 50 16.281 22.859 -10.843 309 HB2 GLU 50 HB2 GLU 50 15.327 24.632 -9.478 310 HB3 GLU 50 HB3 GLU 50 16.426 24.237 -8.162 311 HG2 GLU 50 HG2 GLU 50 18.326 24.835 -9.574 312 HG3 GLU 50 HG3 GLU 50 17.220 25.243 -10.881 313 H ARG 51 H ARG 51 17.673 21.013 -11.017 314 HA ARG 51 HA ARG 51 19.970 21.094 -9.280 315 HB2 ARG 51 HB2 ARG 51 20.612 18.980 -10.292 316 HB3 ARG 51 HB3 ARG 51 18.958 18.871 -9.724 317 HG2 ARG 51 HG2 ARG 51 18.124 19.121 -11.974 318 HG3 ARG 51 HG3 ARG 51 19.766 19.356 -12.584 319 HD2 ARG 51 HD2 ARG 51 18.647 16.864 -11.294 320 HD3 ARG 51 HD3 ARG 51 19.064 17.073 -12.993 321 HE ARG 51 HE ARG 51 21.320 17.593 -11.366 322 HH11 ARG 51 HH11 ARG 51 19.388 14.935 -12.615 323 HH12 ARG 51 HH12 ARG 51 20.658 13.770 -12.432 324 HH21 ARG 51 HH21 ARG 51 23.003 16.027 -11.145 325 HH22 ARG 51 HH22 ARG 51 22.703 14.385 -11.605 326 H SER 52 H SER 52 22.046 21.159 -10.350 327 HA SER 52 HA SER 52 23.534 21.990 -11.742 328 HB2 SER 52 HB2 SER 52 21.381 22.035 -13.850 329 HB3 SER 52 HB3 SER 52 23.117 22.147 -14.140 330 HG SER 52 HG SER 52 22.662 19.990 -12.663 Start of MODEL 13 1 HA ASN 1 HA ASN 1 0.557 6.808 1.988 2 HB2 ASN 1 HB2 ASN 1 0.051 6.232 4.327 3 HB3 ASN 1 HB3 ASN 1 -0.829 5.194 3.213 4 HD21 ASN 1 HD21 ASN 1 -0.156 3.019 2.989 5 HD22 ASN 1 HD22 ASN 1 0.771 2.241 4.226 6 H GLU 2 H GLU 2 1.827 8.295 2.978 7 HA GLU 2 HA GLU 2 3.694 9.324 3.733 8 HB2 GLU 2 HB2 GLU 2 4.098 6.635 5.020 9 HB3 GLU 2 HB3 GLU 2 5.200 7.981 5.275 10 HG2 GLU 2 HG2 GLU 2 3.449 9.296 6.248 11 HG3 GLU 2 HG3 GLU 2 2.257 8.052 5.864 12 H LEU 3 H LEU 3 3.722 7.939 1.153 13 HA LEU 3 HA LEU 3 6.520 7.188 0.909 14 HB2 LEU 3 HB2 LEU 3 4.567 5.922 -0.172 15 HB3 LEU 3 HB3 LEU 3 4.486 7.256 -1.304 16 HG LEU 3 HG LEU 3 6.731 6.772 -2.099 17 HD11 LEU 3 HD11 LEU 3 6.705 4.573 -0.031 18 HD12 LEU 3 HD12 LEU 3 7.762 5.987 -0.055 19 HD13 LEU 3 HD13 LEU 3 7.913 4.751 -1.301 20 HD21 LEU 3 HD21 LEU 3 4.845 5.594 -3.120 21 HD22 LEU 3 HD22 LEU 3 5.030 4.287 -1.951 22 HD23 LEU 3 HD23 LEU 3 6.305 4.607 -3.127 23 H ARG 4 H ARG 4 7.944 8.738 0.576 24 HA ARG 4 HA ARG 4 7.029 11.268 -0.568 25 HB2 ARG 4 HB2 ARG 4 9.468 10.589 1.079 26 HB3 ARG 4 HB3 ARG 4 9.255 12.136 0.287 27 HG2 ARG 4 HG2 ARG 4 8.591 12.501 2.496 28 HG3 ARG 4 HG3 ARG 4 7.078 12.328 1.609 29 HD2 ARG 4 HD2 ARG 4 6.884 10.023 2.355 30 HD3 ARG 4 HD3 ARG 4 8.440 10.139 3.176 31 HE ARG 4 HE ARG 4 6.411 12.044 4.001 32 HH11 ARG 4 HH11 ARG 4 7.913 8.938 4.607 33 HH12 ARG 4 HH12 ARG 4 7.474 8.896 6.280 34 HH21 ARG 4 HH21 ARG 4 5.816 11.992 6.233 35 HH22 ARG 4 HH22 ARG 4 6.282 10.638 7.203 36 H CYS 5 H CYS 5 8.476 12.403 -2.021 37 HA CYS 5 HA CYS 5 9.243 10.694 -4.160 38 HB2 CYS 5 HB2 CYS 5 8.229 12.986 -4.403 39 HB3 CYS 5 HB3 CYS 5 9.768 13.658 -3.877 40 H GLY 6 H GLY 6 11.253 10.205 -4.928 41 HA2 GLY 6 HA2 GLY 6 13.352 10.039 -3.019 42 HA3 GLY 6 HA3 GLY 6 13.421 9.584 -4.715 43 H CYS 7 H CYS 7 12.511 12.369 -5.344 44 HA CYS 7 HA CYS 7 15.008 13.449 -5.951 45 HB2 CYS 7 HB2 CYS 7 12.450 14.010 -6.666 46 HB3 CYS 7 HB3 CYS 7 12.815 15.372 -5.616 47 HA PRO 8 HA PRO 8 15.943 14.787 -1.757 48 HB2 PRO 8 HB2 PRO 8 18.420 15.778 -2.997 49 HB3 PRO 8 HB3 PRO 8 18.216 14.597 -1.703 50 HG2 PRO 8 HG2 PRO 8 18.995 13.875 -4.167 51 HG3 PRO 8 HG3 PRO 8 17.961 12.837 -3.169 52 HD2 PRO 8 HD2 PRO 8 17.216 14.610 -5.464 53 HD3 PRO 8 HD3 PRO 8 16.625 12.985 -5.036 54 H ASP 9 H ASP 9 15.923 16.714 -4.631 55 HA ASP 9 HA ASP 9 16.180 19.158 -3.042 56 HB2 ASP 9 HB2 ASP 9 17.616 18.897 -5.051 57 HB3 ASP 9 HB3 ASP 9 16.169 18.854 -6.049 58 H CYS 10 H CYS 10 13.739 17.192 -4.241 59 HA CYS 10 HA CYS 10 11.876 19.466 -4.150 60 HB2 CYS 10 HB2 CYS 10 12.406 18.626 -6.530 61 HB3 CYS 10 HB3 CYS 10 11.450 17.213 -6.097 62 H HIS 11 H HIS 11 9.735 18.962 -3.485 63 HA HIS 11 HA HIS 11 9.548 16.382 -2.096 64 HB2 HIS 11 HB2 HIS 11 8.425 19.016 -1.127 65 HB3 HIS 11 HB3 HIS 11 8.302 17.467 -0.299 66 HD2 HIS 11 HD2 HIS 11 10.918 16.463 0.567 67 HE1 HIS 11 HE1 HIS 11 12.576 20.361 0.696 68 HE2 HIS 11 HE2 HIS 11 12.961 17.921 1.160 69 H CYS 12 H CYS 12 8.316 15.316 -3.529 70 HA CYS 12 HA CYS 12 5.732 16.522 -4.264 71 HB2 CYS 12 HB2 CYS 12 6.914 14.237 -5.766 72 HB3 CYS 12 HB3 CYS 12 5.874 15.534 -6.341 73 H LYS 13 H LYS 13 3.914 15.071 -4.365 74 HA LYS 13 HA LYS 13 3.978 13.052 -2.318 75 HB2 LYS 13 HB2 LYS 13 1.528 12.783 -2.890 76 HB3 LYS 13 HB3 LYS 13 2.000 14.381 -2.350 77 HG2 LYS 13 HG2 LYS 13 0.551 14.811 -4.117 78 HG3 LYS 13 HG3 LYS 13 2.139 14.975 -4.854 79 HD2 LYS 13 HD2 LYS 13 0.769 13.730 -6.366 80 HD3 LYS 13 HD3 LYS 13 1.914 12.602 -5.643 81 HE2 LYS 13 HE2 LYS 13 -0.230 11.544 -5.694 82 HE3 LYS 13 HE3 LYS 13 0.128 11.946 -4.018 83 HZ1 LYS 13 HZ1 LYS 13 -2.148 12.497 -4.573 84 HZ2 LYS 13 HZ2 LYS 13 -1.641 13.485 -5.841 85 HZ3 LYS 13 HZ3 LYS 13 -1.287 13.912 -4.247 86 H VAL 14 H VAL 14 3.766 10.846 -2.576 87 HA VAL 14 HA VAL 14 4.018 9.891 -5.347 88 HB VAL 14 HB VAL 14 5.393 8.738 -2.912 89 HG11 VAL 14 HG11 VAL 14 4.811 7.070 -4.607 90 HG12 VAL 14 HG12 VAL 14 6.552 7.305 -4.473 91 HG13 VAL 14 HG13 VAL 14 5.667 8.019 -5.823 92 HG21 VAL 14 HG21 VAL 14 7.456 9.535 -3.942 93 HG22 VAL 14 HG22 VAL 14 6.362 10.867 -3.563 94 HG23 VAL 14 HG23 VAL 14 6.520 10.298 -5.225 95 H ASP 15 H ASP 15 2.818 8.175 -5.935 96 HA ASP 15 HA ASP 15 0.840 7.208 -4.013 97 HB2 ASP 15 HB2 ASP 15 0.131 8.048 -6.270 98 HB3 ASP 15 HB3 ASP 15 0.997 6.691 -6.978 99 HA PRO 16 HA PRO 16 3.238 3.547 -3.327 100 HB2 PRO 16 HB2 PRO 16 0.620 2.315 -2.694 101 HB3 PRO 16 HB3 PRO 16 2.082 2.416 -1.706 102 HG2 PRO 16 HG2 PRO 16 -0.041 3.942 -1.182 103 HG3 PRO 16 HG3 PRO 16 1.608 4.562 -0.990 104 HD2 PRO 16 HD2 PRO 16 -0.373 5.079 -3.164 105 HD3 PRO 16 HD3 PRO 16 0.797 6.179 -2.405 106 H GLU 17 H GLU 17 0.461 3.540 -5.443 107 HA GLU 17 HA GLU 17 1.350 0.981 -6.579 108 HB2 GLU 17 HB2 GLU 17 -0.976 0.973 -6.058 109 HB3 GLU 17 HB3 GLU 17 -1.219 2.528 -6.838 110 HG2 GLU 17 HG2 GLU 17 -0.662 1.483 -9.002 111 HG3 GLU 17 HG3 GLU 17 -0.565 -0.078 -8.185 112 H ARG 18 H ARG 18 1.114 4.351 -7.219 113 HA ARG 18 HA ARG 18 1.817 3.890 -10.055 114 HB2 ARG 18 HB2 ARG 18 0.579 6.349 -8.822 115 HB3 ARG 18 HB3 ARG 18 0.862 6.064 -10.534 116 HG2 ARG 18 HG2 ARG 18 -0.726 4.259 -10.547 117 HG3 ARG 18 HG3 ARG 18 -0.946 4.402 -8.803 118 HD2 ARG 18 HD2 ARG 18 -1.759 6.691 -9.136 119 HD3 ARG 18 HD3 ARG 18 -1.622 6.453 -10.878 120 HE ARG 18 HE ARG 18 -3.326 4.676 -9.281 121 HH11 ARG 18 HH11 ARG 18 -3.012 7.099 -11.804 122 HH12 ARG 18 HH12 ARG 18 -4.615 6.857 -12.408 123 HH21 ARG 18 HH21 ARG 18 -5.458 4.364 -10.086 124 HH22 ARG 18 HH22 ARG 18 -6.005 5.299 -11.433 125 H VAL 19 H VAL 19 3.638 3.746 -8.014 126 HA VAL 19 HA VAL 19 5.207 6.201 -8.083 127 HB VAL 19 HB VAL 19 5.041 5.285 -5.893 128 HG11 VAL 19 HG11 VAL 19 5.928 2.651 -7.063 129 HG12 VAL 19 HG12 VAL 19 4.324 3.042 -6.439 130 HG13 VAL 19 HG13 VAL 19 5.704 2.977 -5.343 131 HG21 VAL 19 HG21 VAL 19 7.375 4.690 -5.341 132 HG22 VAL 19 HG22 VAL 19 7.251 6.109 -6.382 133 HG23 VAL 19 HG23 VAL 19 7.719 4.551 -7.065 134 H PHE 20 H PHE 20 7.082 6.415 -9.172 135 HA PHE 20 HA PHE 20 7.967 4.205 -10.834 136 HB2 PHE 20 HB2 PHE 20 8.656 7.131 -10.714 137 HB3 PHE 20 HB3 PHE 20 9.682 6.004 -11.590 138 HD1 PHE 20 HD1 PHE 20 6.620 7.884 -11.614 139 HD2 PHE 20 HD2 PHE 20 8.744 4.737 -13.515 140 HE1 PHE 20 HE1 PHE 20 5.135 8.074 -13.565 141 HE2 PHE 20 HE2 PHE 20 7.270 4.919 -15.476 142 HZ PHE 20 HZ PHE 20 5.462 6.591 -15.500 143 H ASN 21 H ASN 21 9.230 2.784 -9.888 144 HA ASN 21 HA ASN 21 10.902 3.617 -7.649 145 HB2 ASN 21 HB2 ASN 21 9.452 1.693 -7.275 146 HB3 ASN 21 HB3 ASN 21 10.176 0.858 -8.645 147 HD21 ASN 21 HD21 ASN 21 12.270 0.041 -8.457 148 HD22 ASN 21 HD22 ASN 21 13.015 -0.196 -6.917 149 H HIS 22 H HIS 22 12.927 4.088 -7.984 150 HA HIS 22 HA HIS 22 14.400 2.533 -9.976 151 HB2 HIS 22 HB2 HIS 22 14.093 4.612 -11.091 152 HB3 HIS 22 HB3 HIS 22 14.440 5.535 -9.637 153 HD2 HIS 22 HD2 HIS 22 17.059 6.237 -9.320 154 HE1 HIS 22 HE1 HIS 22 18.659 3.874 -12.454 155 HE2 HIS 22 HE2 HIS 22 19.078 5.780 -10.867 156 H ASP 23 H ASP 23 16.121 1.574 -9.185 157 HA ASP 23 HA ASP 23 17.821 0.936 -7.817 158 HB2 ASP 23 HB2 ASP 23 18.684 3.223 -8.360 159 HB3 ASP 23 HB3 ASP 23 17.876 3.838 -6.926 160 H GLY 24 H GLY 24 14.957 1.180 -6.895 161 HA2 GLY 24 HA2 GLY 24 14.004 0.175 -5.010 162 HA3 GLY 24 HA3 GLY 24 15.502 0.450 -4.131 163 H GLU 25 H GLU 25 14.904 3.300 -5.596 164 HA GLU 25 HA GLU 25 13.614 4.338 -3.193 165 HB2 GLU 25 HB2 GLU 25 15.788 5.340 -4.027 166 HB3 GLU 25 HB3 GLU 25 14.884 5.896 -5.429 167 HG2 GLU 25 HG2 GLU 25 13.598 7.385 -4.173 168 HG3 GLU 25 HG3 GLU 25 14.078 6.642 -2.649 169 H ALA 26 H ALA 26 11.905 5.807 -3.361 170 HA ALA 26 HA ALA 26 10.101 5.157 -5.581 171 HB1 ALA 26 HB1 ALA 26 9.530 6.168 -2.801 172 HB2 ALA 26 HB2 ALA 26 9.287 4.524 -3.396 173 HB3 ALA 26 HB3 ALA 26 8.310 5.849 -4.030 174 H TYR 27 H TYR 27 9.390 6.695 -6.933 175 HA TYR 27 HA TYR 27 9.891 9.509 -6.213 176 HB2 TYR 27 HB2 TYR 27 10.203 8.244 -8.932 177 HB3 TYR 27 HB3 TYR 27 10.388 9.954 -8.570 178 HD1 TYR 27 HD1 TYR 27 11.905 6.635 -8.303 179 HD2 TYR 27 HD2 TYR 27 12.369 10.765 -7.420 180 HE1 TYR 27 HE1 TYR 27 14.289 6.267 -7.874 181 HE2 TYR 27 HE2 TYR 27 14.762 10.408 -7.001 182 HH TYR 27 HH TYR 27 16.172 8.266 -6.216 183 H CYS 28 H CYS 28 8.426 11.048 -7.107 184 HA CYS 28 HA CYS 28 5.744 10.159 -7.178 185 HB2 CYS 28 HB2 CYS 28 5.172 12.470 -7.639 186 HB3 CYS 28 HB3 CYS 28 6.435 12.413 -6.416 187 H SER 29 H SER 29 8.004 11.196 -9.645 188 HA SER 29 HA SER 29 6.305 9.971 -11.675 189 HB2 SER 29 HB2 SER 29 6.692 11.912 -13.150 190 HB3 SER 29 HB3 SER 29 5.793 12.362 -11.700 191 HG SER 29 HG SER 29 7.586 13.326 -10.866 192 H GLN 30 H GLN 30 7.631 10.085 -13.830 193 HA GLN 30 HA GLN 30 10.094 8.754 -13.313 194 HB2 GLN 30 HB2 GLN 30 10.252 8.409 -15.679 195 HB3 GLN 30 HB3 GLN 30 8.597 8.114 -15.181 196 HG2 GLN 30 HG2 GLN 30 9.611 10.606 -16.522 197 HG3 GLN 30 HG3 GLN 30 8.747 9.294 -17.318 198 HE21 GLN 30 HE21 GLN 30 8.509 12.137 -15.437 199 HE22 GLN 30 HE22 GLN 30 6.787 12.224 -15.356 200 H ALA 31 H ALA 31 9.199 11.987 -13.631 201 HA ALA 31 HA ALA 31 11.479 13.046 -14.930 202 HB1 ALA 31 HB1 ALA 31 9.625 14.337 -12.927 203 HB2 ALA 31 HB2 ALA 31 9.404 14.314 -14.677 204 HB3 ALA 31 HB3 ALA 31 10.765 15.185 -13.971 205 H CYS 32 H CYS 32 10.600 13.058 -11.484 206 HA CYS 32 HA CYS 32 13.170 13.809 -10.607 207 HB2 CYS 32 HB2 CYS 32 10.924 12.464 -9.090 208 HB3 CYS 32 HB3 CYS 32 12.327 13.230 -8.363 209 H ALA 33 H ALA 33 11.740 10.773 -11.393 210 HA ALA 33 HA ALA 33 13.450 9.066 -9.886 211 HB1 ALA 33 HB1 ALA 33 11.920 8.385 -12.397 212 HB2 ALA 33 HB2 ALA 33 11.248 8.361 -10.768 213 HB3 ALA 33 HB3 ALA 33 12.547 7.250 -11.202 214 H GLU 34 H GLU 34 13.467 10.202 -13.198 215 HA GLU 34 HA GLU 34 15.919 8.781 -13.807 216 HB2 GLU 34 HB2 GLU 34 14.167 10.560 -15.491 217 HB3 GLU 34 HB3 GLU 34 15.625 9.774 -16.077 218 HG2 GLU 34 HG2 GLU 34 13.185 8.367 -15.011 219 HG3 GLU 34 HG3 GLU 34 13.602 8.561 -16.713 220 H GLN 35 H GLN 35 15.454 11.327 -12.039 221 HA GLN 35 HA GLN 35 16.664 13.110 -11.380 222 HB2 GLN 35 HB2 GLN 35 18.848 11.927 -13.107 223 HB3 GLN 35 HB3 GLN 35 19.069 13.151 -11.865 224 HG2 GLN 35 HG2 GLN 35 18.215 11.510 -10.194 225 HG3 GLN 35 HG3 GLN 35 18.204 10.295 -11.469 226 HE21 GLN 35 HE21 GLN 35 19.695 10.333 -8.995 227 HE22 GLN 35 HE22 GLN 35 21.367 10.247 -9.427 228 H HIS 36 H HIS 36 15.110 13.076 -13.903 229 HA HIS 36 HA HIS 36 14.457 14.494 -15.535 230 HB2 HIS 36 HB2 HIS 36 16.112 16.606 -14.134 231 HB3 HIS 36 HB3 HIS 36 14.699 16.857 -15.153 232 HD1 HIS 36 HD1 HIS 36 12.529 17.123 -13.912 233 HD2 HIS 36 HD2 HIS 36 15.385 15.106 -11.657 234 HE1 HIS 36 HE1 HIS 36 11.510 16.796 -11.637 235 HA PRO 37 HA PRO 37 18.462 14.156 -17.836 236 HB2 PRO 37 HB2 PRO 37 17.678 12.362 -19.678 237 HB3 PRO 37 HB3 PRO 37 18.208 11.870 -18.065 238 HG2 PRO 37 HG2 PRO 37 15.433 12.146 -19.143 239 HG3 PRO 37 HG3 PRO 37 16.108 10.883 -18.098 240 HD2 PRO 37 HD2 PRO 37 14.597 12.989 -17.187 241 HD3 PRO 37 HD3 PRO 37 15.787 12.121 -16.198 242 H ASN 38 H ASN 38 15.140 14.661 -18.814 243 HA ASN 38 HA ASN 38 16.053 16.018 -21.257 244 HB2 ASN 38 HB2 ASN 38 13.360 14.908 -20.466 245 HB3 ASN 38 HB3 ASN 38 13.572 15.970 -21.851 246 HD21 ASN 38 HD21 ASN 38 16.134 14.908 -22.627 247 HD22 ASN 38 HD22 ASN 38 15.842 13.343 -23.296 248 H GLY 39 H GLY 39 14.982 16.590 -18.133 249 HA2 GLY 39 HA2 GLY 39 14.924 18.728 -17.129 250 HA3 GLY 39 HA3 GLY 39 14.711 19.444 -18.724 251 H GLU 40 H GLU 40 12.896 16.694 -17.785 252 HA GLU 40 HA GLU 40 10.432 18.090 -18.189 253 HB2 GLU 40 HB2 GLU 40 9.396 15.873 -17.731 254 HB3 GLU 40 HB3 GLU 40 10.598 15.831 -19.010 255 HG2 GLU 40 HG2 GLU 40 11.317 15.093 -16.195 256 HG3 GLU 40 HG3 GLU 40 10.549 13.932 -17.272 257 HA PRO 41 HA PRO 41 9.773 18.992 -13.914 258 HB2 PRO 41 HB2 PRO 41 7.294 19.957 -14.054 259 HB3 PRO 41 HB3 PRO 41 8.646 20.806 -14.816 260 HG2 PRO 41 HG2 PRO 41 6.566 19.055 -16.060 261 HG3 PRO 41 HG3 PRO 41 7.259 20.572 -16.659 262 HD2 PRO 41 HD2 PRO 41 8.049 18.040 -17.471 263 HD3 PRO 41 HD3 PRO 41 9.034 19.508 -17.620 264 H CYS 42 H CYS 42 8.461 18.396 -12.118 265 HA CYS 42 HA CYS 42 7.125 15.814 -12.436 266 HB2 CYS 42 HB2 CYS 42 7.512 15.636 -9.969 267 HB3 CYS 42 HB3 CYS 42 8.997 15.801 -10.899 268 HA PRO 43 HA PRO 43 3.164 17.567 -11.375 269 HB2 PRO 43 HB2 PRO 43 2.059 15.643 -9.816 270 HB3 PRO 43 HB3 PRO 43 2.293 15.445 -11.558 271 HG2 PRO 43 HG2 PRO 43 4.009 14.466 -9.299 272 HG3 PRO 43 HG3 PRO 43 3.449 13.586 -10.736 273 HD2 PRO 43 HD2 PRO 43 5.925 14.610 -10.610 274 HD3 PRO 43 HD3 PRO 43 4.995 14.603 -12.120 275 H ALA 44 H ALA 44 5.427 18.281 -9.516 276 HA ALA 44 HA ALA 44 4.283 18.305 -6.876 277 HB1 ALA 44 HB1 ALA 44 6.702 18.183 -7.164 278 HB2 ALA 44 HB2 ALA 44 6.258 19.647 -6.286 279 HB3 ALA 44 HB3 ALA 44 6.693 19.738 -7.993 280 HA PRO 45 HA PRO 45 1.718 21.879 -7.154 281 HB2 PRO 45 HB2 PRO 45 2.331 23.003 -4.663 282 HB3 PRO 45 HB3 PRO 45 1.073 21.805 -4.979 283 HG2 PRO 45 HG2 PRO 45 3.821 21.428 -3.905 284 HG3 PRO 45 HG3 PRO 45 2.332 20.553 -3.519 285 HD2 PRO 45 HD2 PRO 45 4.247 19.490 -5.075 286 HD3 PRO 45 HD3 PRO 45 2.525 19.163 -5.353 287 H ASP 46 H ASP 46 4.582 22.943 -5.274 288 HA ASP 46 HA ASP 46 4.763 25.249 -7.095 289 HB2 ASP 46 HB2 ASP 46 5.984 24.772 -4.367 290 HB3 ASP 46 HB3 ASP 46 6.310 26.187 -5.355 291 H CYS 47 H CYS 47 6.142 22.271 -6.448 292 HA CYS 47 HA CYS 47 7.975 21.154 -7.133 293 HB2 CYS 47 HB2 CYS 47 7.157 22.064 -9.340 294 HB3 CYS 47 HB3 CYS 47 8.331 23.361 -9.164 295 H HIS 48 H HIS 48 10.462 21.497 -7.663 296 HA HIS 48 HA HIS 48 11.638 23.803 -6.380 297 HB2 HIS 48 HB2 HIS 48 11.245 21.320 -4.905 298 HB3 HIS 48 HB3 HIS 48 12.929 21.821 -4.949 299 HD1 HIS 48 HD1 HIS 48 13.516 24.078 -3.768 300 HD2 HIS 48 HD2 HIS 48 9.576 22.855 -3.310 301 HE1 HIS 48 HE1 HIS 48 12.594 25.476 -1.902 302 HE2 HIS 48 HE2 HIS 48 10.170 24.831 -1.754 303 H CYS 49 H CYS 49 12.147 20.543 -7.664 304 HA CYS 49 HA CYS 49 14.930 20.902 -8.108 305 HB2 CYS 49 HB2 CYS 49 14.626 18.809 -9.504 306 HB3 CYS 49 HB3 CYS 49 14.173 18.693 -7.804 307 H GLU 50 H GLU 50 15.324 22.663 -9.346 308 HA GLU 50 HA GLU 50 14.286 22.648 -12.102 309 HB2 GLU 50 HB2 GLU 50 14.090 24.651 -10.387 310 HB3 GLU 50 HB3 GLU 50 15.746 24.956 -10.878 311 HG2 GLU 50 HG2 GLU 50 13.508 24.701 -12.844 312 HG3 GLU 50 HG3 GLU 50 13.923 26.223 -12.062 313 H ARG 51 H ARG 51 16.947 22.148 -10.125 314 HA ARG 51 HA ARG 51 19.023 22.730 -11.956 315 HB2 ARG 51 HB2 ARG 51 20.484 21.958 -10.266 316 HB3 ARG 51 HB3 ARG 51 19.184 22.774 -9.410 317 HG2 ARG 51 HG2 ARG 51 18.133 20.559 -9.002 318 HG3 ARG 51 HG3 ARG 51 19.547 19.804 -9.739 319 HD2 ARG 51 HD2 ARG 51 20.034 19.720 -7.473 320 HD3 ARG 51 HD3 ARG 51 20.883 21.168 -8.010 321 HE ARG 51 HE ARG 51 18.211 21.320 -6.780 322 HH11 ARG 51 HH11 ARG 51 21.575 22.326 -6.893 323 HH12 ARG 51 HH12 ARG 51 21.404 23.458 -5.597 324 HH21 ARG 51 HH21 ARG 51 18.004 22.784 -5.054 325 HH22 ARG 51 HH22 ARG 51 19.369 23.729 -4.552 326 H SER 52 H SER 52 20.495 21.022 -12.599 327 HA SER 52 HA SER 52 21.000 19.173 -13.612 328 HB2 SER 52 HB2 SER 52 18.794 17.890 -12.002 329 HB3 SER 52 HB3 SER 52 20.053 17.018 -12.876 330 HG SER 52 HG SER 52 21.217 17.242 -11.164 Start of MODEL 14 1 HA ASN 1 HA ASN 1 5.770 5.688 5.875 2 HB2 ASN 1 HB2 ASN 1 4.431 4.213 7.447 3 HB3 ASN 1 HB3 ASN 1 3.026 4.527 6.438 4 HD21 ASN 1 HD21 ASN 1 2.768 2.411 5.821 5 HD22 ASN 1 HD22 ASN 1 3.868 1.599 4.759 6 H GLU 2 H GLU 2 4.019 8.158 5.404 7 HA GLU 2 HA GLU 2 2.460 7.520 3.090 8 HB2 GLU 2 HB2 GLU 2 3.464 10.191 4.077 9 HB3 GLU 2 HB3 GLU 2 2.249 9.956 2.828 10 HG2 GLU 2 HG2 GLU 2 0.767 8.914 4.450 11 HG3 GLU 2 HG3 GLU 2 1.989 9.108 5.704 12 H LEU 3 H LEU 3 3.287 6.984 1.228 13 HA LEU 3 HA LEU 3 5.973 6.956 0.574 14 HB2 LEU 3 HB2 LEU 3 4.100 5.626 -0.433 15 HB3 LEU 3 HB3 LEU 3 3.692 7.037 -1.384 16 HG LEU 3 HG LEU 3 5.829 6.921 -2.539 17 HD11 LEU 3 HD11 LEU 3 6.350 4.523 -0.785 18 HD12 LEU 3 HD12 LEU 3 7.224 6.056 -0.752 19 HD13 LEU 3 HD13 LEU 3 7.333 5.009 -2.166 20 HD21 LEU 3 HD21 LEU 3 4.402 4.268 -2.436 21 HD22 LEU 3 HD22 LEU 3 5.475 4.810 -3.726 22 HD23 LEU 3 HD23 LEU 3 3.953 5.652 -3.431 23 H ARG 4 H ARG 4 7.321 8.557 0.228 24 HA ARG 4 HA ARG 4 6.346 10.992 -1.102 25 HB2 ARG 4 HB2 ARG 4 7.865 12.324 0.121 26 HB3 ARG 4 HB3 ARG 4 7.178 11.226 1.303 27 HG2 ARG 4 HG2 ARG 4 9.864 10.835 -0.015 28 HG3 ARG 4 HG3 ARG 4 9.622 11.615 1.546 29 HD2 ARG 4 HD2 ARG 4 8.894 8.772 0.845 30 HD3 ARG 4 HD3 ARG 4 10.284 9.277 1.801 31 HE ARG 4 HE ARG 4 8.038 10.328 3.039 32 HH11 ARG 4 HH11 ARG 4 9.329 7.167 2.285 33 HH12 ARG 4 HH12 ARG 4 8.603 6.398 3.648 34 HH21 ARG 4 HH21 ARG 4 7.066 9.313 4.856 35 HH22 ARG 4 HH22 ARG 4 7.331 7.627 5.137 36 H CYS 5 H CYS 5 8.130 12.174 -2.313 37 HA CYS 5 HA CYS 5 9.122 10.343 -4.258 38 HB2 CYS 5 HB2 CYS 5 8.246 12.604 -4.783 39 HB3 CYS 5 HB3 CYS 5 9.683 13.298 -4.041 40 H GLY 6 H GLY 6 11.270 10.069 -4.952 41 HA2 GLY 6 HA2 GLY 6 13.115 9.734 -2.789 42 HA3 GLY 6 HA3 GLY 6 13.375 9.350 -4.484 43 H CYS 7 H CYS 7 12.641 12.115 -5.247 44 HA CYS 7 HA CYS 7 15.199 13.193 -5.415 45 HB2 CYS 7 HB2 CYS 7 12.691 13.858 -6.408 46 HB3 CYS 7 HB3 CYS 7 13.109 15.231 -5.391 47 HA PRO 8 HA PRO 8 15.466 14.478 -1.120 48 HB2 PRO 8 HB2 PRO 8 18.100 15.101 -1.146 49 HB3 PRO 8 HB3 PRO 8 17.518 13.433 -1.082 50 HG2 PRO 8 HG2 PRO 8 18.520 15.002 -3.423 51 HG3 PRO 8 HG3 PRO 8 18.837 13.313 -2.991 52 HD2 PRO 8 HD2 PRO 8 17.018 14.060 -4.884 53 HD3 PRO 8 HD3 PRO 8 16.862 12.575 -3.920 54 H ASP 9 H ASP 9 16.140 16.341 -3.932 55 HA ASP 9 HA ASP 9 16.473 18.799 -2.392 56 HB2 ASP 9 HB2 ASP 9 17.982 18.477 -4.281 57 HB3 ASP 9 HB3 ASP 9 16.613 18.283 -5.371 58 H CYS 10 H CYS 10 14.006 17.011 -3.859 59 HA CYS 10 HA CYS 10 12.311 19.406 -3.976 60 HB2 CYS 10 HB2 CYS 10 12.852 18.411 -6.212 61 HB3 CYS 10 HB3 CYS 10 12.000 16.957 -5.706 62 H HIS 11 H HIS 11 10.041 19.043 -3.556 63 HA HIS 11 HA HIS 11 9.576 16.709 -1.840 64 HB2 HIS 11 HB2 HIS 11 9.746 18.712 -0.457 65 HB3 HIS 11 HB3 HIS 11 8.537 19.523 -1.444 66 HD2 HIS 11 HD2 HIS 11 8.574 16.280 0.845 67 HE1 HIS 11 HE1 HIS 11 4.777 18.155 1.049 68 HE2 HIS 11 HE2 HIS 11 6.122 16.121 1.646 69 H CYS 12 H CYS 12 8.512 15.457 -3.307 70 HA CYS 12 HA CYS 12 6.047 16.579 -4.466 71 HB2 CYS 12 HB2 CYS 12 7.185 14.024 -5.461 72 HB3 CYS 12 HB3 CYS 12 6.326 15.282 -6.331 73 H LYS 13 H LYS 13 4.225 15.175 -4.545 74 HA LYS 13 HA LYS 13 4.197 13.239 -2.373 75 HB2 LYS 13 HB2 LYS 13 1.723 13.324 -2.612 76 HB3 LYS 13 HB3 LYS 13 2.425 14.887 -2.255 77 HG2 LYS 13 HG2 LYS 13 0.905 15.472 -3.867 78 HG3 LYS 13 HG3 LYS 13 2.327 15.191 -4.862 79 HD2 LYS 13 HD2 LYS 13 0.336 14.167 -5.853 80 HD3 LYS 13 HD3 LYS 13 1.517 12.941 -5.396 81 HE2 LYS 13 HE2 LYS 13 -0.817 12.330 -4.822 82 HE3 LYS 13 HE3 LYS 13 0.249 12.380 -3.424 83 HZ1 LYS 13 HZ1 LYS 13 -1.601 14.564 -4.225 84 HZ2 LYS 13 HZ2 LYS 13 -0.652 14.517 -2.825 85 HZ3 LYS 13 HZ3 LYS 13 -1.917 13.423 -3.021 86 H VAL 14 H VAL 14 3.784 11.092 -2.731 87 HA VAL 14 HA VAL 14 3.821 10.317 -5.562 88 HB VAL 14 HB VAL 14 5.003 8.846 -3.198 89 HG11 VAL 14 HG11 VAL 14 5.066 8.147 -6.130 90 HG12 VAL 14 HG12 VAL 14 4.115 7.322 -4.894 91 HG13 VAL 14 HG13 VAL 14 5.875 7.274 -4.827 92 HG21 VAL 14 HG21 VAL 14 6.292 10.794 -3.848 93 HG22 VAL 14 HG22 VAL 14 6.305 10.243 -5.523 94 HG23 VAL 14 HG23 VAL 14 7.140 9.310 -4.280 95 H ASP 15 H ASP 15 2.462 8.771 -6.273 96 HA ASP 15 HA ASP 15 0.270 8.077 -4.469 97 HB2 ASP 15 HB2 ASP 15 -0.069 9.184 -6.784 98 HB3 ASP 15 HB3 ASP 15 0.352 7.611 -7.432 99 HA PRO 16 HA PRO 16 1.865 3.928 -4.174 100 HB2 PRO 16 HB2 PRO 16 -0.982 3.185 -3.788 101 HB3 PRO 16 HB3 PRO 16 0.411 2.877 -2.745 102 HG2 PRO 16 HG2 PRO 16 -1.402 4.718 -2.093 103 HG3 PRO 16 HG3 PRO 16 0.324 4.978 -1.779 104 HD2 PRO 16 HD2 PRO 16 -1.400 6.097 -3.951 105 HD3 PRO 16 HD3 PRO 16 -0.115 6.879 -3.004 106 H GLU 17 H GLU 17 -0.679 4.911 -6.326 107 HA GLU 17 HA GLU 17 -0.521 2.409 -7.828 108 HB2 GLU 17 HB2 GLU 17 -2.705 3.597 -7.293 109 HB3 GLU 17 HB3 GLU 17 -2.216 4.818 -8.453 110 HG2 GLU 17 HG2 GLU 17 -3.695 3.304 -9.530 111 HG3 GLU 17 HG3 GLU 17 -2.073 3.041 -10.171 112 H ARG 18 H ARG 18 0.559 5.694 -7.894 113 HA ARG 18 HA ARG 18 1.689 5.277 -10.567 114 HB2 ARG 18 HB2 ARG 18 0.646 7.907 -9.493 115 HB3 ARG 18 HB3 ARG 18 1.423 7.666 -11.047 116 HG2 ARG 18 HG2 ARG 18 -0.672 7.523 -11.813 117 HG3 ARG 18 HG3 ARG 18 -0.590 5.874 -11.194 118 HD2 ARG 18 HD2 ARG 18 -2.622 6.915 -10.437 119 HD3 ARG 18 HD3 ARG 18 -1.544 6.652 -9.067 120 HE ARG 18 HE ARG 18 -0.922 9.082 -9.381 121 HH11 ARG 18 HH11 ARG 18 -4.073 7.848 -10.314 122 HH12 ARG 18 HH12 ARG 18 -4.878 9.355 -10.049 123 HH21 ARG 18 HH21 ARG 18 -1.976 11.059 -9.019 124 HH22 ARG 18 HH22 ARG 18 -3.679 11.198 -9.293 125 H VAL 19 H VAL 19 3.354 4.454 -9.115 126 HA VAL 19 HA VAL 19 5.168 6.630 -8.364 127 HB VAL 19 HB VAL 19 4.576 5.679 -6.288 128 HG11 VAL 19 HG11 VAL 19 4.950 2.965 -7.537 129 HG12 VAL 19 HG12 VAL 19 3.427 3.703 -7.031 130 HG13 VAL 19 HG13 VAL 19 4.639 3.259 -5.826 131 HG21 VAL 19 HG21 VAL 19 7.138 4.380 -7.189 132 HG22 VAL 19 HG22 VAL 19 6.616 4.526 -5.512 133 HG23 VAL 19 HG23 VAL 19 6.955 5.976 -6.460 134 H PHE 20 H PHE 20 7.153 6.569 -9.187 135 HA PHE 20 HA PHE 20 7.865 4.267 -10.848 136 HB2 PHE 20 HB2 PHE 20 8.690 7.152 -10.867 137 HB3 PHE 20 HB3 PHE 20 9.697 5.935 -11.635 138 HD1 PHE 20 HD1 PHE 20 6.500 7.661 -11.714 139 HD2 PHE 20 HD2 PHE 20 9.015 4.873 -13.679 140 HE1 PHE 20 HE1 PHE 20 5.087 7.821 -13.724 141 HE2 PHE 20 HE2 PHE 20 7.618 5.018 -15.699 142 HZ PHE 20 HZ PHE 20 5.648 6.495 -15.725 143 H ASN 21 H ASN 21 9.210 2.866 -9.993 144 HA ASN 21 HA ASN 21 10.854 3.708 -7.745 145 HB2 ASN 21 HB2 ASN 21 11.259 1.311 -7.366 146 HB3 ASN 21 HB3 ASN 21 9.541 1.686 -7.396 147 HD21 ASN 21 HD21 ASN 21 12.167 0.134 -9.054 148 HD22 ASN 21 HD22 ASN 21 11.198 -0.789 -10.147 149 H HIS 22 H HIS 22 13.009 3.664 -7.726 150 HA HIS 22 HA HIS 22 14.532 2.531 -9.878 151 HB2 HIS 22 HB2 HIS 22 13.975 4.572 -11.008 152 HB3 HIS 22 HB3 HIS 22 14.277 5.536 -9.573 153 HD2 HIS 22 HD2 HIS 22 16.921 6.324 -9.213 154 HE1 HIS 22 HE1 HIS 22 18.445 4.466 -12.699 155 HE2 HIS 22 HE2 HIS 22 18.881 6.141 -10.887 156 H ASP 23 H ASP 23 16.398 1.833 -9.073 157 HA ASP 23 HA ASP 23 18.195 1.518 -7.718 158 HB2 ASP 23 HB2 ASP 23 18.652 3.903 -8.265 159 HB3 ASP 23 HB3 ASP 23 17.709 4.390 -6.866 160 H GLY 24 H GLY 24 15.325 1.218 -6.795 161 HA2 GLY 24 HA2 GLY 24 14.541 0.083 -4.904 162 HA3 GLY 24 HA3 GLY 24 15.980 0.590 -4.031 163 H GLU 25 H GLU 25 14.954 3.296 -5.487 164 HA GLU 25 HA GLU 25 13.458 4.142 -3.111 165 HB2 GLU 25 HB2 GLU 25 15.572 5.360 -3.696 166 HB3 GLU 25 HB3 GLU 25 14.818 5.820 -5.215 167 HG2 GLU 25 HG2 GLU 25 14.798 7.609 -3.519 168 HG3 GLU 25 HG3 GLU 25 13.198 7.160 -4.103 169 H ALA 26 H ALA 26 11.696 5.643 -3.462 170 HA ALA 26 HA ALA 26 10.168 4.947 -5.886 171 HB1 ALA 26 HB1 ALA 26 9.172 4.171 -3.783 172 HB2 ALA 26 HB2 ALA 26 8.158 5.378 -4.572 173 HB3 ALA 26 HB3 ALA 26 9.150 5.829 -3.185 174 H TYR 27 H TYR 27 9.175 6.564 -7.066 175 HA TYR 27 HA TYR 27 9.713 9.339 -6.246 176 HB2 TYR 27 HB2 TYR 27 10.217 8.197 -8.998 177 HB3 TYR 27 HB3 TYR 27 10.367 9.890 -8.551 178 HD1 TYR 27 HD1 TYR 27 11.884 6.556 -8.279 179 HD2 TYR 27 HD2 TYR 27 12.290 10.675 -7.308 180 HE1 TYR 27 HE1 TYR 27 14.252 6.190 -7.731 181 HE2 TYR 27 HE2 TYR 27 14.657 10.318 -6.764 182 HH TYR 27 HH TYR 27 16.126 8.466 -6.067 183 H CYS 28 H CYS 28 8.389 10.922 -7.397 184 HA CYS 28 HA CYS 28 5.671 10.100 -7.534 185 HB2 CYS 28 HB2 CYS 28 5.261 12.460 -8.211 186 HB3 CYS 28 HB3 CYS 28 6.231 12.316 -6.749 187 H SER 29 H SER 29 8.086 10.976 -9.939 188 HA SER 29 HA SER 29 6.580 9.566 -11.961 189 HB2 SER 29 HB2 SER 29 5.771 11.970 -11.977 190 HB3 SER 29 HB3 SER 29 7.402 12.432 -12.457 191 HG SER 29 HG SER 29 5.401 11.171 -13.908 192 H GLN 30 H GLN 30 7.989 9.975 -14.163 193 HA GLN 30 HA GLN 30 10.411 8.665 -13.519 194 HB2 GLN 30 HB2 GLN 30 10.858 8.606 -15.934 195 HB3 GLN 30 HB3 GLN 30 9.245 8.051 -15.537 196 HG2 GLN 30 HG2 GLN 30 8.737 9.335 -17.329 197 HG3 GLN 30 HG3 GLN 30 8.659 10.578 -16.084 198 HE21 GLN 30 HE21 GLN 30 10.114 12.241 -16.134 199 HE22 GLN 30 HE22 GLN 30 11.304 12.455 -17.377 200 H ALA 31 H ALA 31 9.630 11.970 -13.862 201 HA ALA 31 HA ALA 31 12.041 13.032 -14.791 202 HB1 ALA 31 HB1 ALA 31 10.042 14.392 -14.559 203 HB2 ALA 31 HB2 ALA 31 11.372 15.107 -13.647 204 HB3 ALA 31 HB3 ALA 31 10.102 14.217 -12.805 205 H CYS 32 H CYS 32 11.003 12.804 -11.382 206 HA CYS 32 HA CYS 32 13.596 13.386 -10.409 207 HB2 CYS 32 HB2 CYS 32 11.235 12.124 -8.998 208 HB3 CYS 32 HB3 CYS 32 12.667 12.773 -8.206 209 H ALA 33 H ALA 33 11.965 10.473 -11.292 210 HA ALA 33 HA ALA 33 13.491 8.615 -9.804 211 HB1 ALA 33 HB1 ALA 33 11.302 8.096 -10.823 212 HB2 ALA 33 HB2 ALA 33 12.545 6.918 -11.245 213 HB3 ALA 33 HB3 ALA 33 12.058 8.143 -12.416 214 H GLU 34 H GLU 34 13.730 9.733 -13.116 215 HA GLU 34 HA GLU 34 16.129 8.192 -13.627 216 HB2 GLU 34 HB2 GLU 34 14.468 10.069 -15.290 217 HB3 GLU 34 HB3 GLU 34 15.969 9.367 -15.874 218 HG2 GLU 34 HG2 GLU 34 13.674 7.709 -14.883 219 HG3 GLU 34 HG3 GLU 34 13.836 8.220 -16.564 220 H GLN 35 H GLN 35 15.761 10.786 -11.839 221 HA GLN 35 HA GLN 35 17.052 12.504 -11.150 222 HB2 GLN 35 HB2 GLN 35 19.104 10.976 -12.734 223 HB3 GLN 35 HB3 GLN 35 19.503 12.484 -11.924 224 HG2 GLN 35 HG2 GLN 35 18.827 11.512 -9.785 225 HG3 GLN 35 HG3 GLN 35 18.442 9.998 -10.602 226 HE21 GLN 35 HE21 GLN 35 19.936 8.921 -9.297 227 HE22 GLN 35 HE22 GLN 35 21.639 9.045 -9.567 228 H HIS 36 H HIS 36 15.448 12.648 -13.527 229 HA HIS 36 HA HIS 36 14.842 14.094 -15.136 230 HB2 HIS 36 HB2 HIS 36 16.776 16.016 -13.807 231 HB3 HIS 36 HB3 HIS 36 15.405 16.441 -14.829 232 HD1 HIS 36 HD1 HIS 36 13.283 16.978 -13.588 233 HD2 HIS 36 HD2 HIS 36 15.852 14.592 -11.341 234 HE1 HIS 36 HE1 HIS 36 12.186 16.713 -11.335 235 HA PRO 37 HA PRO 37 18.537 13.076 -17.643 236 HB2 PRO 37 HB2 PRO 37 17.250 11.638 -19.522 237 HB3 PRO 37 HB3 PRO 37 17.723 10.947 -17.966 238 HG2 PRO 37 HG2 PRO 37 15.054 11.949 -18.861 239 HG3 PRO 37 HG3 PRO 37 15.446 10.504 -17.911 240 HD2 PRO 37 HD2 PRO 37 14.542 12.846 -16.820 241 HD3 PRO 37 HD3 PRO 37 15.558 11.684 -15.947 242 H ASN 38 H ASN 38 15.377 14.298 -18.610 243 HA ASN 38 HA ASN 38 16.556 15.554 -20.991 244 HB2 ASN 38 HB2 ASN 38 14.379 14.311 -21.143 245 HB3 ASN 38 HB3 ASN 38 13.669 15.548 -20.107 246 HD21 ASN 38 HD21 ASN 38 15.172 14.922 -23.174 247 HD22 ASN 38 HD22 ASN 38 14.577 16.326 -23.973 248 H GLY 39 H GLY 39 15.423 16.193 -17.819 249 HA2 GLY 39 HA2 GLY 39 16.070 18.182 -16.651 250 HA3 GLY 39 HA3 GLY 39 16.046 19.045 -18.188 251 H GLU 40 H GLU 40 13.588 16.789 -17.465 252 HA GLU 40 HA GLU 40 11.577 18.827 -17.676 253 HB2 GLU 40 HB2 GLU 40 10.004 16.952 -17.630 254 HB3 GLU 40 HB3 GLU 40 11.286 16.666 -18.797 255 HG2 GLU 40 HG2 GLU 40 11.539 15.554 -16.036 256 HG3 GLU 40 HG3 GLU 40 10.483 14.758 -17.196 257 HA PRO 41 HA PRO 41 10.952 19.126 -13.270 258 HB2 PRO 41 HB2 PRO 41 8.661 20.530 -13.277 259 HB3 PRO 41 HB3 PRO 41 10.192 21.268 -13.762 260 HG2 PRO 41 HG2 PRO 41 7.974 20.222 -15.464 261 HG3 PRO 41 HG3 PRO 41 8.939 21.696 -15.662 262 HD2 PRO 41 HD2 PRO 41 9.393 19.360 -17.037 263 HD3 PRO 41 HD3 PRO 41 10.641 20.580 -16.712 264 H CYS 42 H CYS 42 9.617 18.185 -11.695 265 HA CYS 42 HA CYS 42 8.104 15.912 -12.626 266 HB2 CYS 42 HB2 CYS 42 8.025 15.417 -10.164 267 HB3 CYS 42 HB3 CYS 42 9.649 15.602 -10.817 268 HA PRO 43 HA PRO 43 4.053 17.651 -11.953 269 HB2 PRO 43 HB2 PRO 43 2.618 15.591 -10.994 270 HB3 PRO 43 HB3 PRO 43 3.246 15.598 -12.647 271 HG2 PRO 43 HG2 PRO 43 4.340 14.241 -10.214 272 HG3 PRO 43 HG3 PRO 43 4.152 13.605 -11.859 273 HD2 PRO 43 HD2 PRO 43 6.510 14.540 -10.889 274 HD3 PRO 43 HD3 PRO 43 6.071 14.623 -12.605 275 H ALA 44 H ALA 44 5.907 18.093 -9.722 276 HA ALA 44 HA ALA 44 4.120 17.916 -7.417 277 HB1 ALA 44 HB1 ALA 44 6.044 18.560 -6.082 278 HB2 ALA 44 HB2 ALA 44 7.007 18.779 -7.543 279 HB3 ALA 44 HB3 ALA 44 6.435 17.172 -7.097 280 HA PRO 45 HA PRO 45 2.897 22.155 -8.120 281 HB2 PRO 45 HB2 PRO 45 1.780 22.558 -5.656 282 HB3 PRO 45 HB3 PRO 45 0.968 21.680 -6.959 283 HG2 PRO 45 HG2 PRO 45 2.548 20.600 -4.652 284 HG3 PRO 45 HG3 PRO 45 0.966 20.064 -5.262 285 HD2 PRO 45 HD2 PRO 45 3.191 18.743 -5.869 286 HD3 PRO 45 HD3 PRO 45 1.918 18.978 -7.087 287 H ASP 46 H ASP 46 4.712 21.078 -5.298 288 HA ASP 46 HA ASP 46 5.830 23.785 -5.015 289 HB2 ASP 46 HB2 ASP 46 4.710 22.764 -3.001 290 HB3 ASP 46 HB3 ASP 46 5.951 21.517 -3.008 291 H CYS 47 H CYS 47 6.566 21.895 -7.049 292 HA CYS 47 HA CYS 47 8.861 20.424 -6.631 293 HB2 CYS 47 HB2 CYS 47 7.801 20.286 -8.752 294 HB3 CYS 47 HB3 CYS 47 7.990 22.013 -9.035 295 H HIS 48 H HIS 48 10.979 20.798 -6.511 296 HA HIS 48 HA HIS 48 11.838 23.615 -6.377 297 HB2 HIS 48 HB2 HIS 48 11.944 22.303 -4.238 298 HB3 HIS 48 HB3 HIS 48 13.123 21.248 -5.006 299 HD1 HIS 48 HD1 HIS 48 15.532 22.071 -5.155 300 HD2 HIS 48 HD2 HIS 48 12.880 24.930 -3.688 301 HE1 HIS 48 HE1 HIS 48 16.955 23.951 -4.292 302 HE2 HIS 48 HE2 HIS 48 15.340 25.684 -3.453 303 H CYS 49 H CYS 49 12.313 20.544 -7.869 304 HA CYS 49 HA CYS 49 14.903 21.302 -8.977 305 HB2 CYS 49 HB2 CYS 49 14.822 18.944 -9.877 306 HB3 CYS 49 HB3 CYS 49 14.852 19.089 -8.122 307 H GLU 50 H GLU 50 12.334 22.558 -9.744 308 HA GLU 50 HA GLU 50 11.324 21.762 -12.188 309 HB2 GLU 50 HB2 GLU 50 10.422 23.586 -10.734 310 HB3 GLU 50 HB3 GLU 50 11.747 24.612 -11.250 311 HG2 GLU 50 HG2 GLU 50 9.922 23.438 -13.298 312 HG3 GLU 50 HG3 GLU 50 9.385 24.816 -12.343 313 H ARG 51 H ARG 51 14.112 23.785 -11.487 314 HA ARG 51 HA ARG 51 14.839 23.881 -14.286 315 HB2 ARG 51 HB2 ARG 51 16.837 25.166 -13.351 316 HB3 ARG 51 HB3 ARG 51 15.260 25.924 -13.184 317 HG2 ARG 51 HG2 ARG 51 15.142 25.318 -10.869 318 HG3 ARG 51 HG3 ARG 51 16.606 24.342 -11.006 319 HD2 ARG 51 HD2 ARG 51 17.944 26.276 -11.382 320 HD3 ARG 51 HD3 ARG 51 16.519 27.299 -11.538 321 HE ARG 51 HE ARG 51 16.339 27.383 -9.254 322 HH11 ARG 51 HH11 ARG 51 18.681 24.897 -10.092 323 HH12 ARG 51 HH12 ARG 51 19.338 24.808 -8.497 324 HH21 ARG 51 HH21 ARG 51 17.222 27.245 -7.135 325 HH22 ARG 51 HH22 ARG 51 18.510 26.130 -6.824 326 H SER 52 H SER 52 15.977 22.320 -15.157 327 HA SER 52 HA SER 52 18.271 21.197 -13.969 328 HB2 SER 52 HB2 SER 52 17.351 18.805 -13.910 329 HB3 SER 52 HB3 SER 52 16.861 19.876 -12.597 330 HG SER 52 HG SER 52 14.860 19.901 -13.328 Start of MODEL 15 1 HA ASN 1 HA ASN 1 0.715 8.516 2.980 2 HB2 ASN 1 HB2 ASN 1 1.639 9.045 0.147 3 HB3 ASN 1 HB3 ASN 1 1.881 7.520 0.987 4 HD21 ASN 1 HD21 ASN 1 -0.389 9.591 -0.584 5 HD22 ASN 1 HD22 ASN 1 -1.710 8.477 -0.609 6 H GLU 2 H GLU 2 2.746 7.483 3.428 7 HA GLU 2 HA GLU 2 4.728 9.369 4.307 8 HB2 GLU 2 HB2 GLU 2 4.622 6.355 4.433 9 HB3 GLU 2 HB3 GLU 2 5.903 7.326 5.144 10 HG2 GLU 2 HG2 GLU 2 2.989 7.423 5.879 11 HG3 GLU 2 HG3 GLU 2 4.278 6.659 6.810 12 H LEU 3 H LEU 3 4.225 7.466 1.543 13 HA LEU 3 HA LEU 3 6.907 7.068 0.740 14 HB2 LEU 3 HB2 LEU 3 4.859 5.846 -0.095 15 HB3 LEU 3 HB3 LEU 3 4.488 7.270 -1.043 16 HG LEU 3 HG LEU 3 6.515 6.983 -2.349 17 HD11 LEU 3 HD11 LEU 3 7.023 4.590 -0.582 18 HD12 LEU 3 HD12 LEU 3 7.979 6.072 -0.635 19 HD13 LEU 3 HD13 LEU 3 7.934 5.001 -2.034 20 HD21 LEU 3 HD21 LEU 3 4.488 5.798 -3.045 21 HD22 LEU 3 HD22 LEU 3 4.977 4.404 -2.082 22 HD23 LEU 3 HD23 LEU 3 5.944 4.899 -3.470 23 H ARG 4 H ARG 4 8.311 8.495 0.031 24 HA ARG 4 HA ARG 4 7.327 11.096 -0.917 25 HB2 ARG 4 HB2 ARG 4 9.479 12.056 -0.116 26 HB3 ARG 4 HB3 ARG 4 8.481 11.407 1.174 27 HG2 ARG 4 HG2 ARG 4 10.654 9.745 -0.044 28 HG3 ARG 4 HG3 ARG 4 11.024 10.954 1.186 29 HD2 ARG 4 HD2 ARG 4 9.583 9.880 2.766 30 HD3 ARG 4 HD3 ARG 4 8.969 8.777 1.542 31 HE ARG 4 HE ARG 4 11.705 8.390 1.655 32 HH11 ARG 4 HH11 ARG 4 8.948 8.058 3.788 33 HH12 ARG 4 HH12 ARG 4 9.655 6.788 4.722 34 HH21 ARG 4 HH21 ARG 4 12.650 6.691 2.893 35 HH22 ARG 4 HH22 ARG 4 11.764 6.013 4.213 36 H CYS 5 H CYS 5 8.890 12.236 -2.364 37 HA CYS 5 HA CYS 5 9.590 10.421 -4.490 38 HB2 CYS 5 HB2 CYS 5 8.390 12.634 -4.781 39 HB3 CYS 5 HB3 CYS 5 9.929 13.417 -4.451 40 H GLY 6 H GLY 6 11.624 10.206 -5.397 41 HA2 GLY 6 HA2 GLY 6 13.815 10.062 -3.666 42 HA3 GLY 6 HA3 GLY 6 13.902 9.979 -5.419 43 H CYS 7 H CYS 7 12.897 12.592 -5.936 44 HA CYS 7 HA CYS 7 15.199 14.149 -5.768 45 HB2 CYS 7 HB2 CYS 7 12.391 14.538 -6.533 46 HB3 CYS 7 HB3 CYS 7 13.175 16.003 -5.960 47 HA PRO 8 HA PRO 8 14.765 14.892 -1.376 48 HB2 PRO 8 HB2 PRO 8 17.246 15.804 -0.936 49 HB3 PRO 8 HB3 PRO 8 16.912 14.096 -1.238 50 HG2 PRO 8 HG2 PRO 8 17.980 16.172 -3.098 51 HG3 PRO 8 HG3 PRO 8 18.451 14.473 -2.919 52 HD2 PRO 8 HD2 PRO 8 16.774 15.423 -4.889 53 HD3 PRO 8 HD3 PRO 8 16.785 13.745 -4.305 54 H ASP 9 H ASP 9 15.631 17.288 -3.760 55 HA ASP 9 HA ASP 9 15.234 19.408 -1.780 56 HB2 ASP 9 HB2 ASP 9 16.247 20.924 -3.369 57 HB3 ASP 9 HB3 ASP 9 17.281 19.520 -3.169 58 H CYS 10 H CYS 10 13.357 17.624 -3.568 59 HA CYS 10 HA CYS 10 11.443 19.794 -4.040 60 HB2 CYS 10 HB2 CYS 10 12.363 18.903 -6.206 61 HB3 CYS 10 HB3 CYS 10 11.747 17.316 -5.764 62 H HIS 11 H HIS 11 9.275 19.227 -3.573 63 HA HIS 11 HA HIS 11 9.014 16.725 -2.057 64 HB2 HIS 11 HB2 HIS 11 8.904 18.686 -0.583 65 HB3 HIS 11 HB3 HIS 11 7.603 19.356 -1.558 66 HD2 HIS 11 HD2 HIS 11 5.078 18.213 -1.125 67 HE1 HIS 11 HE1 HIS 11 6.275 15.777 2.129 68 HE2 HIS 11 HE2 HIS 11 4.342 16.881 0.957 69 H CYS 12 H CYS 12 8.048 15.380 -3.433 70 HA CYS 12 HA CYS 12 5.647 16.344 -4.829 71 HB2 CYS 12 HB2 CYS 12 7.150 13.847 -5.533 72 HB3 CYS 12 HB3 CYS 12 6.045 14.780 -6.527 73 H LYS 13 H LYS 13 3.748 15.293 -4.513 74 HA LYS 13 HA LYS 13 3.632 13.349 -2.421 75 HB2 LYS 13 HB2 LYS 13 1.101 13.343 -3.263 76 HB3 LYS 13 HB3 LYS 13 1.746 14.607 -2.239 77 HG2 LYS 13 HG2 LYS 13 0.486 15.706 -3.888 78 HG3 LYS 13 HG3 LYS 13 2.170 15.938 -4.339 79 HD2 LYS 13 HD2 LYS 13 0.806 15.428 -6.297 80 HD3 LYS 13 HD3 LYS 13 1.968 14.138 -5.996 81 HE2 LYS 13 HE2 LYS 13 -0.253 13.267 -6.589 82 HE3 LYS 13 HE3 LYS 13 0.237 12.778 -4.970 83 HZ1 LYS 13 HZ1 LYS 13 -2.038 13.459 -4.957 84 HZ2 LYS 13 HZ2 LYS 13 -1.670 14.948 -5.663 85 HZ3 LYS 13 HZ3 LYS 13 -1.145 14.601 -4.092 86 H VAL 14 H VAL 14 3.978 11.315 -2.686 87 HA VAL 14 HA VAL 14 3.828 10.186 -5.388 88 HB VAL 14 HB VAL 14 5.253 9.083 -2.958 89 HG11 VAL 14 HG11 VAL 14 6.383 7.619 -4.542 90 HG12 VAL 14 HG12 VAL 14 5.429 8.296 -5.863 91 HG13 VAL 14 HG13 VAL 14 4.637 7.371 -4.587 92 HG21 VAL 14 HG21 VAL 14 6.224 11.195 -3.669 93 HG22 VAL 14 HG22 VAL 14 6.344 10.595 -5.323 94 HG23 VAL 14 HG23 VAL 14 7.304 9.852 -4.045 95 H ASP 15 H ASP 15 2.680 8.381 -5.857 96 HA ASP 15 HA ASP 15 0.691 7.544 -3.883 97 HB2 ASP 15 HB2 ASP 15 -0.007 8.273 -6.181 98 HB3 ASP 15 HB3 ASP 15 0.845 6.872 -6.815 99 HA PRO 16 HA PRO 16 3.071 3.877 -3.103 100 HB2 PRO 16 HB2 PRO 16 0.508 2.676 -2.252 101 HB3 PRO 16 HB3 PRO 16 2.000 2.904 -1.335 102 HG2 PRO 16 HG2 PRO 16 -0.157 4.409 -0.862 103 HG3 PRO 16 HG3 PRO 16 1.479 5.085 -0.772 104 HD2 PRO 16 HD2 PRO 16 -0.560 5.341 -2.950 105 HD3 PRO 16 HD3 PRO 16 0.547 6.562 -2.282 106 H GLU 17 H GLU 17 0.210 3.828 -5.109 107 HA GLU 17 HA GLU 17 0.959 1.157 -6.078 108 HB2 GLU 17 HB2 GLU 17 -1.405 1.636 -5.330 109 HB3 GLU 17 HB3 GLU 17 -1.547 2.710 -6.712 110 HG2 GLU 17 HG2 GLU 17 -1.134 0.844 -8.215 111 HG3 GLU 17 HG3 GLU 17 -0.962 -0.237 -6.833 112 H ARG 18 H ARG 18 0.875 4.476 -6.906 113 HA ARG 18 HA ARG 18 1.537 3.843 -9.720 114 HB2 ARG 18 HB2 ARG 18 0.260 6.328 -8.565 115 HB3 ARG 18 HB3 ARG 18 0.720 6.126 -10.249 116 HG2 ARG 18 HG2 ARG 18 -1.083 4.884 -10.724 117 HG3 ARG 18 HG3 ARG 18 -1.006 4.008 -9.192 118 HD2 ARG 18 HD2 ARG 18 -3.035 5.359 -9.343 119 HD3 ARG 18 HD3 ARG 18 -1.979 5.905 -8.040 120 HE ARG 18 HE ARG 18 -1.774 7.281 -10.603 121 HH11 ARG 18 HH11 ARG 18 -2.976 7.294 -7.297 122 HH12 ARG 18 HH12 ARG 18 -3.230 9.001 -7.261 123 HH21 ARG 18 HH21 ARG 18 -2.114 9.537 -10.559 124 HH22 ARG 18 HH22 ARG 18 -2.731 10.293 -9.131 125 H VAL 19 H VAL 19 3.480 3.683 -7.835 126 HA VAL 19 HA VAL 19 5.005 6.174 -7.990 127 HB VAL 19 HB VAL 19 4.912 5.394 -5.757 128 HG11 VAL 19 HG11 VAL 19 5.540 3.115 -5.081 129 HG12 VAL 19 HG12 VAL 19 5.729 2.677 -6.782 130 HG13 VAL 19 HG13 VAL 19 4.143 3.136 -6.157 131 HG21 VAL 19 HG21 VAL 19 7.248 4.783 -5.230 132 HG22 VAL 19 HG22 VAL 19 7.112 6.155 -6.329 133 HG23 VAL 19 HG23 VAL 19 7.548 4.563 -6.954 134 H PHE 20 H PHE 20 6.892 6.339 -9.067 135 HA PHE 20 HA PHE 20 7.713 4.076 -10.709 136 HB2 PHE 20 HB2 PHE 20 8.228 7.024 -10.803 137 HB3 PHE 20 HB3 PHE 20 9.363 5.932 -11.584 138 HD1 PHE 20 HD1 PHE 20 6.234 7.630 -11.840 139 HD2 PHE 20 HD2 PHE 20 8.475 4.359 -13.360 140 HE1 PHE 20 HE1 PHE 20 4.772 7.561 -13.817 141 HE2 PHE 20 HE2 PHE 20 7.024 4.280 -15.344 142 HZ PHE 20 HZ PHE 20 5.169 5.883 -15.575 143 H ASN 21 H ASN 21 9.194 2.765 -9.894 144 HA ASN 21 HA ASN 21 11.017 3.761 -7.851 145 HB2 ASN 21 HB2 ASN 21 9.930 1.624 -7.379 146 HB3 ASN 21 HB3 ASN 21 10.563 0.949 -8.877 147 HD21 ASN 21 HD21 ASN 21 12.749 0.398 -9.007 148 HD22 ASN 21 HD22 ASN 21 13.748 0.248 -7.607 149 H HIS 22 H HIS 22 12.962 4.387 -8.318 150 HA HIS 22 HA HIS 22 14.377 3.170 -10.549 151 HB2 HIS 22 HB2 HIS 22 13.278 5.161 -11.502 152 HB3 HIS 22 HB3 HIS 22 14.003 6.164 -10.256 153 HD2 HIS 22 HD2 HIS 22 16.821 6.555 -10.563 154 HE1 HIS 22 HE1 HIS 22 16.834 5.322 -14.617 155 HE2 HIS 22 HE2 HIS 22 18.177 6.340 -12.757 156 H ASP 23 H ASP 23 16.442 2.836 -10.068 157 HA ASP 23 HA ASP 23 18.385 2.738 -8.915 158 HB2 ASP 23 HB2 ASP 23 18.421 5.172 -9.610 159 HB3 ASP 23 HB3 ASP 23 17.775 5.567 -8.022 160 H GLY 24 H GLY 24 16.004 1.814 -7.673 161 HA2 GLY 24 HA2 GLY 24 15.439 0.854 -5.663 162 HA3 GLY 24 HA3 GLY 24 16.978 1.415 -5.032 163 H GLU 25 H GLU 25 15.072 3.904 -6.349 164 HA GLU 25 HA GLU 25 14.069 4.593 -3.679 165 HB2 GLU 25 HB2 GLU 25 16.020 5.970 -4.427 166 HB3 GLU 25 HB3 GLU 25 15.055 6.490 -5.798 167 HG2 GLU 25 HG2 GLU 25 15.163 8.135 -3.947 168 HG3 GLU 25 HG3 GLU 25 13.534 7.658 -4.417 169 H ALA 26 H ALA 26 12.198 5.976 -3.716 170 HA ALA 26 HA ALA 26 10.383 5.210 -5.892 171 HB1 ALA 26 HB1 ALA 26 9.674 4.526 -3.687 172 HB2 ALA 26 HB2 ALA 26 8.598 5.793 -4.280 173 HB3 ALA 26 HB3 ALA 26 9.838 6.176 -3.093 174 H TYR 27 H TYR 27 9.300 6.729 -7.081 175 HA TYR 27 HA TYR 27 9.776 9.554 -6.421 176 HB2 TYR 27 HB2 TYR 27 10.082 8.310 -9.158 177 HB3 TYR 27 HB3 TYR 27 10.134 10.032 -8.819 178 HD1 TYR 27 HD1 TYR 27 11.943 6.854 -8.574 179 HD2 TYR 27 HD2 TYR 27 12.111 11.043 -7.789 180 HE1 TYR 27 HE1 TYR 27 14.375 6.704 -8.286 181 HE2 TYR 27 HE2 TYR 27 14.542 10.889 -7.504 182 HH TYR 27 HH TYR 27 16.255 9.304 -7.027 183 H CYS 28 H CYS 28 8.260 11.024 -7.438 184 HA CYS 28 HA CYS 28 5.582 10.056 -7.343 185 HB2 CYS 28 HB2 CYS 28 4.957 12.333 -7.951 186 HB3 CYS 28 HB3 CYS 28 6.217 12.361 -6.721 187 H SER 29 H SER 29 7.783 10.981 -9.902 188 HA SER 29 HA SER 29 6.124 9.609 -11.857 189 HB2 SER 29 HB2 SER 29 6.318 11.511 -13.414 190 HB3 SER 29 HB3 SER 29 5.424 11.957 -11.958 191 HG SER 29 HG SER 29 7.263 12.986 -11.175 192 H GLN 30 H GLN 30 7.427 9.808 -14.054 193 HA GLN 30 HA GLN 30 9.963 8.642 -13.512 194 HB2 GLN 30 HB2 GLN 30 10.163 8.289 -15.895 195 HB3 GLN 30 HB3 GLN 30 8.574 7.804 -15.340 196 HG2 GLN 30 HG2 GLN 30 9.178 10.415 -16.680 197 HG3 GLN 30 HG3 GLN 30 8.615 8.977 -17.528 198 HE21 GLN 30 HE21 GLN 30 7.757 11.696 -15.646 199 HE22 GLN 30 HE22 GLN 30 6.049 11.424 -15.605 200 H ALA 31 H ALA 31 8.934 11.818 -13.876 201 HA ALA 31 HA ALA 31 11.133 12.995 -15.214 202 HB1 ALA 31 HB1 ALA 31 9.007 14.169 -14.859 203 HB2 ALA 31 HB2 ALA 31 10.365 15.090 -14.211 204 HB3 ALA 31 HB3 ALA 31 9.311 14.189 -13.121 205 H CYS 32 H CYS 32 10.416 12.950 -11.720 206 HA CYS 32 HA CYS 32 13.040 13.730 -11.000 207 HB2 CYS 32 HB2 CYS 32 10.943 12.343 -9.304 208 HB3 CYS 32 HB3 CYS 32 12.341 13.233 -8.698 209 H ALA 33 H ALA 33 11.472 10.695 -11.584 210 HA ALA 33 HA ALA 33 13.198 8.933 -10.257 211 HB1 ALA 33 HB1 ALA 33 11.743 8.352 -12.824 212 HB2 ALA 33 HB2 ALA 33 10.982 8.340 -11.234 213 HB3 ALA 33 HB3 ALA 33 12.270 7.192 -11.606 214 H GLU 34 H GLU 34 13.195 9.907 -13.649 215 HA GLU 34 HA GLU 34 15.665 8.575 -14.211 216 HB2 GLU 34 HB2 GLU 34 14.121 10.636 -15.786 217 HB3 GLU 34 HB3 GLU 34 15.505 9.739 -16.391 218 HG2 GLU 34 HG2 GLU 34 12.912 8.510 -15.495 219 HG3 GLU 34 HG3 GLU 34 13.353 8.849 -17.168 220 H GLN 35 H GLN 35 15.093 11.161 -12.372 221 HA GLN 35 HA GLN 35 16.264 12.886 -11.569 222 HB2 GLN 35 HB2 GLN 35 18.529 11.408 -12.912 223 HB3 GLN 35 HB3 GLN 35 18.773 12.832 -11.904 224 HG2 GLN 35 HG2 GLN 35 17.878 11.726 -9.988 225 HG3 GLN 35 HG3 GLN 35 17.358 10.352 -10.958 226 HE21 GLN 35 HE21 GLN 35 18.492 8.935 -9.673 227 HE22 GLN 35 HE22 GLN 35 20.213 8.800 -9.730 228 H HIS 36 H HIS 36 14.919 13.028 -14.051 229 HA HIS 36 HA HIS 36 14.473 14.445 -15.746 230 HB2 HIS 36 HB2 HIS 36 16.129 16.454 -14.209 231 HB3 HIS 36 HB3 HIS 36 14.824 16.790 -15.338 232 HD1 HIS 36 HD1 HIS 36 12.579 17.180 -14.275 233 HD2 HIS 36 HD2 HIS 36 15.108 14.986 -11.820 234 HE1 HIS 36 HE1 HIS 36 11.373 16.935 -12.087 235 HA PRO 37 HA PRO 37 18.547 14.048 -17.866 236 HB2 PRO 37 HB2 PRO 37 17.919 12.134 -19.613 237 HB3 PRO 37 HB3 PRO 37 18.307 11.733 -17.935 238 HG2 PRO 37 HG2 PRO 37 15.639 11.932 -19.265 239 HG3 PRO 37 HG3 PRO 37 16.218 10.737 -18.092 240 HD2 PRO 37 HD2 PRO 37 14.649 12.932 -17.465 241 HD3 PRO 37 HD3 PRO 37 15.679 12.065 -16.310 242 H ASN 38 H ASN 38 15.341 14.796 -18.679 243 HA ASN 38 HA ASN 38 16.166 15.897 -21.296 244 HB2 ASN 38 HB2 ASN 38 14.296 14.082 -21.096 245 HB3 ASN 38 HB3 ASN 38 13.308 15.407 -20.496 246 HD21 ASN 38 HD21 ASN 38 14.653 17.364 -22.254 247 HD22 ASN 38 HD22 ASN 38 14.032 17.063 -23.835 248 H GLY 39 H GLY 39 14.822 16.497 -18.174 249 HA2 GLY 39 HA2 GLY 39 14.943 18.679 -17.189 250 HA3 GLY 39 HA3 GLY 39 14.744 19.374 -18.796 251 H GLU 40 H GLU 40 12.871 16.664 -17.992 252 HA GLU 40 HA GLU 40 10.430 18.050 -18.397 253 HB2 GLU 40 HB2 GLU 40 9.395 15.849 -17.861 254 HB3 GLU 40 HB3 GLU 40 10.611 15.763 -19.124 255 HG2 GLU 40 HG2 GLU 40 11.332 15.155 -16.282 256 HG3 GLU 40 HG3 GLU 40 10.536 13.946 -17.282 257 HA PRO 41 HA PRO 41 9.671 19.069 -14.137 258 HB2 PRO 41 HB2 PRO 41 7.190 20.022 -14.367 259 HB3 PRO 41 HB3 PRO 41 8.555 20.855 -15.120 260 HG2 PRO 41 HG2 PRO 41 6.499 19.081 -16.364 261 HG3 PRO 41 HG3 PRO 41 7.227 20.566 -16.995 262 HD2 PRO 41 HD2 PRO 41 8.000 17.981 -17.680 263 HD3 PRO 41 HD3 PRO 41 8.985 19.440 -17.902 264 H CYS 42 H CYS 42 8.593 18.264 -12.307 265 HA CYS 42 HA CYS 42 7.149 15.768 -12.717 266 HB2 CYS 42 HB2 CYS 42 7.507 15.406 -10.307 267 HB3 CYS 42 HB3 CYS 42 9.018 15.771 -11.121 268 HA PRO 43 HA PRO 43 3.178 17.493 -11.907 269 HB2 PRO 43 HB2 PRO 43 1.890 15.512 -10.615 270 HB3 PRO 43 HB3 PRO 43 2.351 15.390 -12.318 271 HG2 PRO 43 HG2 PRO 43 3.737 14.286 -9.901 272 HG3 PRO 43 HG3 PRO 43 3.383 13.488 -11.445 273 HD2 PRO 43 HD2 PRO 43 5.811 14.516 -10.883 274 HD3 PRO 43 HD3 PRO 43 5.143 14.516 -12.526 275 H ALA 44 H ALA 44 5.304 17.702 -9.568 276 HA ALA 44 HA ALA 44 3.553 17.849 -7.281 277 HB1 ALA 44 HB1 ALA 44 5.525 18.616 -6.056 278 HB2 ALA 44 HB2 ALA 44 6.435 18.685 -7.566 279 HB3 ALA 44 HB3 ALA 44 5.854 17.137 -6.958 280 HA PRO 45 HA PRO 45 2.109 21.978 -8.158 281 HB2 PRO 45 HB2 PRO 45 1.143 22.476 -5.637 282 HB3 PRO 45 HB3 PRO 45 0.282 21.525 -6.854 283 HG2 PRO 45 HG2 PRO 45 2.026 20.582 -4.603 284 HG3 PRO 45 HG3 PRO 45 0.432 19.974 -5.103 285 HD2 PRO 45 HD2 PRO 45 2.650 18.693 -5.780 286 HD3 PRO 45 HD3 PRO 45 1.323 18.864 -6.949 287 H ASP 46 H ASP 46 4.148 21.238 -5.378 288 HA ASP 46 HA ASP 46 5.116 24.018 -5.383 289 HB2 ASP 46 HB2 ASP 46 5.872 23.613 -3.070 290 HB3 ASP 46 HB3 ASP 46 4.141 23.357 -3.242 291 H CYS 47 H CYS 47 5.912 21.841 -7.146 292 HA CYS 47 HA CYS 47 8.302 20.588 -6.587 293 HB2 CYS 47 HB2 CYS 47 7.397 19.927 -8.588 294 HB3 CYS 47 HB3 CYS 47 7.019 21.571 -9.084 295 H HIS 48 H HIS 48 10.439 21.035 -6.817 296 HA HIS 48 HA HIS 48 11.395 23.389 -8.055 297 HB2 HIS 48 HB2 HIS 48 10.712 24.325 -5.826 298 HB3 HIS 48 HB3 HIS 48 11.896 23.256 -5.077 299 HD1 HIS 48 HD1 HIS 48 14.234 24.128 -4.919 300 HD2 HIS 48 HD2 HIS 48 11.966 26.223 -7.693 301 HE1 HIS 48 HE1 HIS 48 15.689 26.017 -5.688 302 HE2 HIS 48 HE2 HIS 48 14.409 27.048 -7.584 303 H CYS 49 H CYS 49 12.098 21.258 -9.027 304 HA CYS 49 HA CYS 49 14.328 19.968 -7.753 305 HB2 CYS 49 HB2 CYS 49 13.525 19.812 -10.664 306 HB3 CYS 49 HB3 CYS 49 14.456 18.636 -9.744 307 H GLU 50 H GLU 50 16.047 21.289 -7.444 308 HA GLU 50 HA GLU 50 16.775 23.295 -9.396 309 HB2 GLU 50 HB2 GLU 50 17.044 23.348 -6.798 310 HB3 GLU 50 HB3 GLU 50 18.516 22.443 -7.097 311 HG2 GLU 50 HG2 GLU 50 17.877 25.176 -8.201 312 HG3 GLU 50 HG3 GLU 50 18.928 24.839 -6.831 313 H ARG 51 H ARG 51 18.361 20.399 -8.075 314 HA ARG 51 HA ARG 51 20.197 20.442 -10.290 315 HB2 ARG 51 HB2 ARG 51 21.419 18.714 -9.012 316 HB3 ARG 51 HB3 ARG 51 21.251 20.226 -8.139 317 HG2 ARG 51 HG2 ARG 51 19.346 19.206 -6.895 318 HG3 ARG 51 HG3 ARG 51 19.735 17.672 -7.683 319 HD2 ARG 51 HD2 ARG 51 21.995 17.778 -6.758 320 HD3 ARG 51 HD3 ARG 51 21.600 19.298 -5.964 321 HE ARG 51 HE ARG 51 20.455 16.670 -5.299 322 HH11 ARG 51 HH11 ARG 51 21.138 20.008 -4.437 323 HH12 ARG 51 HH12 ARG 51 20.791 19.783 -2.762 324 HH21 ARG 51 HH21 ARG 51 20.001 16.364 -3.087 325 HH22 ARG 51 HH22 ARG 51 20.140 17.689 -1.980 326 H SER 52 H SER 52 20.584 18.528 -11.421 327 HA SER 52 HA SER 52 19.796 17.091 -12.879 328 HB2 SER 52 HB2 SER 52 18.850 14.974 -11.912 329 HB3 SER 52 HB3 SER 52 20.341 15.516 -11.145 330 HG SER 52 HG SER 52 18.318 16.640 -9.840 Start of MODEL 16 1 HA ASN 1 HA ASN 1 1.922 5.172 4.430 2 HB2 ASN 1 HB2 ASN 1 2.205 6.119 7.276 3 HB3 ASN 1 HB3 ASN 1 1.191 6.978 6.123 4 HD21 ASN 1 HD21 ASN 1 -0.638 6.518 7.364 5 HD22 ASN 1 HD22 ASN 1 -1.359 4.946 7.366 6 H GLU 2 H GLU 2 4.806 6.388 5.977 7 HA GLU 2 HA GLU 2 4.692 8.943 4.684 8 HB2 GLU 2 HB2 GLU 2 6.930 7.536 6.140 9 HB3 GLU 2 HB3 GLU 2 7.062 9.158 5.479 10 HG2 GLU 2 HG2 GLU 2 5.137 9.811 6.933 11 HG3 GLU 2 HG3 GLU 2 5.255 8.221 7.687 12 H LEU 3 H LEU 3 4.513 8.562 2.499 13 HA LEU 3 HA LEU 3 6.927 7.446 1.251 14 HB2 LEU 3 HB2 LEU 3 4.884 6.048 0.948 15 HB3 LEU 3 HB3 LEU 3 4.131 7.395 0.120 16 HG LEU 3 HG LEU 3 5.865 7.271 -1.634 17 HD11 LEU 3 HD11 LEU 3 6.792 4.840 -0.112 18 HD12 LEU 3 HD12 LEU 3 7.688 6.344 -0.338 19 HD13 LEU 3 HD13 LEU 3 7.337 5.311 -1.722 20 HD21 LEU 3 HD21 LEU 3 4.424 4.674 -1.107 21 HD22 LEU 3 HD22 LEU 3 5.083 5.197 -2.658 22 HD23 LEU 3 HD23 LEU 3 3.752 6.089 -1.918 23 H ARG 4 H ARG 4 8.082 9.065 0.509 24 HA ARG 4 HA ARG 4 6.694 11.241 -0.907 25 HB2 ARG 4 HB2 ARG 4 9.106 11.432 0.904 26 HB3 ARG 4 HB3 ARG 4 8.703 12.686 -0.256 27 HG2 ARG 4 HG2 ARG 4 7.805 13.464 1.741 28 HG3 ARG 4 HG3 ARG 4 6.417 12.760 0.914 29 HD2 ARG 4 HD2 ARG 4 6.779 10.674 2.225 30 HD3 ARG 4 HD3 ARG 4 8.047 11.513 3.117 31 HE ARG 4 HE ARG 4 5.342 12.638 3.079 32 HH11 ARG 4 HH11 ARG 4 7.976 11.146 4.862 33 HH12 ARG 4 HH12 ARG 4 7.262 11.412 6.417 34 HH21 ARG 4 HH21 ARG 4 4.396 13.019 5.140 35 HH22 ARG 4 HH22 ARG 4 5.214 12.496 6.571 36 H CYS 5 H CYS 5 8.239 12.402 -2.436 37 HA CYS 5 HA CYS 5 9.197 10.477 -4.274 38 HB2 CYS 5 HB2 CYS 5 8.237 12.795 -4.778 39 HB3 CYS 5 HB3 CYS 5 9.825 13.424 -4.352 40 H GLY 6 H GLY 6 11.274 9.923 -4.859 41 HA2 GLY 6 HA2 GLY 6 13.236 9.880 -2.814 42 HA3 GLY 6 HA3 GLY 6 13.453 9.398 -4.490 43 H CYS 7 H CYS 7 12.574 12.119 -5.291 44 HA CYS 7 HA CYS 7 15.060 13.243 -5.707 45 HB2 CYS 7 HB2 CYS 7 12.482 13.774 -6.521 46 HB3 CYS 7 HB3 CYS 7 12.893 15.202 -5.579 47 HA PRO 8 HA PRO 8 15.777 14.708 -1.516 48 HB2 PRO 8 HB2 PRO 8 18.289 15.656 -2.008 49 HB3 PRO 8 HB3 PRO 8 17.935 13.949 -1.722 50 HG2 PRO 8 HG2 PRO 8 18.365 15.386 -4.306 51 HG3 PRO 8 HG3 PRO 8 18.940 13.788 -3.803 52 HD2 PRO 8 HD2 PRO 8 16.807 14.128 -5.432 53 HD3 PRO 8 HD3 PRO 8 16.920 12.771 -4.292 54 H ASP 9 H ASP 9 15.913 16.495 -4.467 55 HA ASP 9 HA ASP 9 15.938 19.027 -3.007 56 HB2 ASP 9 HB2 ASP 9 16.750 18.224 -5.715 57 HB3 ASP 9 HB3 ASP 9 15.901 19.764 -5.626 58 H CYS 10 H CYS 10 13.702 16.867 -4.094 59 HA CYS 10 HA CYS 10 11.664 18.923 -4.098 60 HB2 CYS 10 HB2 CYS 10 12.457 18.630 -6.479 61 HB3 CYS 10 HB3 CYS 10 11.816 16.993 -6.406 62 H HIS 11 H HIS 11 10.057 18.233 -2.879 63 HA HIS 11 HA HIS 11 9.699 15.340 -2.625 64 HB2 HIS 11 HB2 HIS 11 9.092 17.540 -0.649 65 HB3 HIS 11 HB3 HIS 11 8.595 15.862 -0.433 66 HD2 HIS 11 HD2 HIS 11 11.056 14.091 -0.639 67 HE1 HIS 11 HE1 HIS 11 13.356 17.043 1.348 68 HE2 HIS 11 HE2 HIS 11 13.183 14.616 0.735 69 H CYS 12 H CYS 12 8.319 14.904 -4.163 70 HA CYS 12 HA CYS 12 5.932 16.507 -4.570 71 HB2 CYS 12 HB2 CYS 12 6.526 14.031 -6.083 72 HB3 CYS 12 HB3 CYS 12 5.843 15.552 -6.646 73 H LYS 13 H LYS 13 3.894 15.284 -4.997 74 HA LYS 13 HA LYS 13 3.218 13.570 -2.836 75 HB2 LYS 13 HB2 LYS 13 1.805 14.527 -5.292 76 HB3 LYS 13 HB3 LYS 13 1.138 13.214 -4.338 77 HG2 LYS 13 HG2 LYS 13 1.222 14.747 -2.358 78 HG3 LYS 13 HG3 LYS 13 1.637 16.044 -3.482 79 HD2 LYS 13 HD2 LYS 13 -0.776 15.991 -3.006 80 HD3 LYS 13 HD3 LYS 13 -0.435 15.682 -4.709 81 HE2 LYS 13 HE2 LYS 13 -2.144 14.142 -3.938 82 HE3 LYS 13 HE3 LYS 13 -0.668 13.243 -4.281 83 HZ1 LYS 13 HZ1 LYS 13 -0.181 13.210 -1.922 84 HZ2 LYS 13 HZ2 LYS 13 -1.698 12.531 -2.210 85 HZ3 LYS 13 HZ3 LYS 13 -1.573 14.096 -1.580 86 H VAL 14 H VAL 14 3.377 11.431 -2.749 87 HA VAL 14 HA VAL 14 3.693 10.051 -5.295 88 HB VAL 14 HB VAL 14 5.033 9.325 -2.691 89 HG11 VAL 14 HG11 VAL 14 6.152 7.570 -3.970 90 HG12 VAL 14 HG12 VAL 14 5.202 8.001 -5.393 91 HG13 VAL 14 HG13 VAL 14 4.404 7.344 -3.964 92 HG21 VAL 14 HG21 VAL 14 7.109 9.831 -3.887 93 HG22 VAL 14 HG22 VAL 14 6.053 11.242 -3.783 94 HG23 VAL 14 HG23 VAL 14 6.167 10.333 -5.290 95 H ASP 15 H ASP 15 2.117 8.867 -5.731 96 HA ASP 15 HA ASP 15 0.362 7.832 -3.634 97 HB2 ASP 15 HB2 ASP 15 -0.436 9.185 -5.685 98 HB3 ASP 15 HB3 ASP 15 -0.143 7.709 -6.590 99 HA PRO 16 HA PRO 16 2.193 3.801 -4.036 100 HB2 PRO 16 HB2 PRO 16 -0.567 2.877 -3.402 101 HB3 PRO 16 HB3 PRO 16 0.966 2.463 -2.624 102 HG2 PRO 16 HG2 PRO 16 -0.746 4.125 -1.445 103 HG3 PRO 16 HG3 PRO 16 1.003 4.403 -1.358 104 HD2 PRO 16 HD2 PRO 16 -1.057 5.783 -3.023 105 HD3 PRO 16 HD3 PRO 16 0.385 6.444 -2.226 106 H GLU 17 H GLU 17 -0.677 4.818 -5.724 107 HA GLU 17 HA GLU 17 -0.643 2.494 -7.474 108 HB2 GLU 17 HB2 GLU 17 -2.764 3.512 -6.583 109 HB3 GLU 17 HB3 GLU 17 -2.440 4.915 -7.587 110 HG2 GLU 17 HG2 GLU 17 -4.035 3.500 -8.674 111 HG3 GLU 17 HG3 GLU 17 -2.522 3.472 -9.577 112 H ARG 18 H ARG 18 0.854 5.529 -7.358 113 HA ARG 18 HA ARG 18 1.340 5.442 -10.267 114 HB2 ARG 18 HB2 ARG 18 0.744 7.884 -8.611 115 HB3 ARG 18 HB3 ARG 18 1.372 7.942 -10.250 116 HG2 ARG 18 HG2 ARG 18 -0.609 6.973 -11.128 117 HG3 ARG 18 HG3 ARG 18 -1.215 6.611 -9.508 118 HD2 ARG 18 HD2 ARG 18 -2.273 8.604 -10.484 119 HD3 ARG 18 HD3 ARG 18 -1.376 8.945 -9.002 120 HE ARG 18 HE ARG 18 0.448 9.488 -10.892 121 HH11 ARG 18 HH11 ARG 18 -2.898 10.483 -10.588 122 HH12 ARG 18 HH12 ARG 18 -2.646 12.018 -11.331 123 HH21 ARG 18 HH21 ARG 18 0.788 11.514 -11.887 124 HH22 ARG 18 HH22 ARG 18 -0.533 12.609 -12.082 125 H VAL 19 H VAL 19 2.815 4.698 -7.804 126 HA VAL 19 HA VAL 19 5.069 6.532 -7.873 127 HB VAL 19 HB VAL 19 4.512 5.861 -5.669 128 HG11 VAL 19 HG11 VAL 19 4.721 3.013 -6.617 129 HG12 VAL 19 HG12 VAL 19 3.264 3.862 -6.085 130 HG13 VAL 19 HG13 VAL 19 4.553 3.508 -4.932 131 HG21 VAL 19 HG21 VAL 19 6.888 6.051 -6.052 132 HG22 VAL 19 HG22 VAL 19 6.972 4.357 -6.536 133 HG23 VAL 19 HG23 VAL 19 6.562 4.781 -4.873 134 H PHE 20 H PHE 20 6.875 6.263 -8.933 135 HA PHE 20 HA PHE 20 7.351 3.723 -10.309 136 HB2 PHE 20 HB2 PHE 20 8.164 6.543 -10.829 137 HB3 PHE 20 HB3 PHE 20 9.233 5.258 -11.378 138 HD1 PHE 20 HD1 PHE 20 6.492 7.259 -12.208 139 HD2 PHE 20 HD2 PHE 20 8.053 3.353 -12.744 140 HE1 PHE 20 HE1 PHE 20 5.090 6.985 -14.218 141 HE2 PHE 20 HE2 PHE 20 6.662 3.060 -14.751 142 HZ PHE 20 HZ PHE 20 5.178 4.880 -15.492 143 H ASN 21 H ASN 21 9.090 2.471 -9.802 144 HA ASN 21 HA ASN 21 10.810 3.485 -7.662 145 HB2 ASN 21 HB2 ASN 21 11.343 1.196 -7.097 146 HB3 ASN 21 HB3 ASN 21 9.596 1.344 -7.214 147 HD21 ASN 21 HD21 ASN 21 12.465 -0.027 -8.605 148 HD22 ASN 21 HD22 ASN 21 11.664 -1.109 -9.688 149 H HIS 22 H HIS 22 12.894 3.789 -7.942 150 HA HIS 22 HA HIS 22 14.327 2.534 -10.106 151 HB2 HIS 22 HB2 HIS 22 13.354 4.508 -11.222 152 HB3 HIS 22 HB3 HIS 22 14.039 5.554 -9.986 153 HD2 HIS 22 HD2 HIS 22 16.774 6.085 -10.261 154 HE1 HIS 22 HE1 HIS 22 17.186 4.167 -14.014 155 HE2 HIS 22 HE2 HIS 22 18.141 5.873 -12.443 156 H ASP 23 H ASP 23 16.450 2.268 -9.574 157 HA ASP 23 HA ASP 23 18.350 2.219 -8.312 158 HB2 ASP 23 HB2 ASP 23 18.382 4.672 -8.845 159 HB3 ASP 23 HB3 ASP 23 17.487 4.976 -7.364 160 H GLY 24 H GLY 24 15.669 1.396 -7.268 161 HA2 GLY 24 HA2 GLY 24 14.928 0.345 -5.355 162 HA3 GLY 24 HA3 GLY 24 16.481 0.712 -4.612 163 H GLU 25 H GLU 25 14.559 3.218 -6.013 164 HA GLU 25 HA GLU 25 13.705 4.111 -3.355 165 HB2 GLU 25 HB2 GLU 25 15.795 5.256 -4.280 166 HB3 GLU 25 HB3 GLU 25 14.739 5.917 -5.516 167 HG2 GLU 25 HG2 GLU 25 13.550 7.212 -3.988 168 HG3 GLU 25 HG3 GLU 25 14.198 6.321 -2.611 169 H ALA 26 H ALA 26 11.878 5.549 -3.425 170 HA ALA 26 HA ALA 26 10.080 4.904 -5.653 171 HB1 ALA 26 HB1 ALA 26 8.268 5.530 -4.141 172 HB2 ALA 26 HB2 ALA 26 9.444 6.006 -2.915 173 HB3 ALA 26 HB3 ALA 26 9.313 4.316 -3.406 174 H TYR 27 H TYR 27 9.065 6.458 -6.874 175 HA TYR 27 HA TYR 27 9.680 9.271 -6.291 176 HB2 TYR 27 HB2 TYR 27 10.047 7.932 -8.975 177 HB3 TYR 27 HB3 TYR 27 10.184 9.659 -8.676 178 HD1 TYR 27 HD1 TYR 27 11.843 6.443 -8.495 179 HD2 TYR 27 HD2 TYR 27 12.069 10.520 -7.295 180 HE1 TYR 27 HE1 TYR 27 14.228 6.163 -7.997 181 HE2 TYR 27 HE2 TYR 27 14.454 10.241 -6.795 182 HH TYR 27 HH TYR 27 15.952 8.303 -6.140 183 H CYS 28 H CYS 28 8.293 10.783 -7.430 184 HA CYS 28 HA CYS 28 5.567 9.977 -7.397 185 HB2 CYS 28 HB2 CYS 28 5.103 12.265 -8.088 186 HB3 CYS 28 HB3 CYS 28 6.330 12.250 -6.825 187 H SER 29 H SER 29 7.868 10.739 -9.940 188 HA SER 29 HA SER 29 6.331 9.212 -11.844 189 HB2 SER 29 HB2 SER 29 6.923 12.150 -12.268 190 HB3 SER 29 HB3 SER 29 6.305 11.055 -13.504 191 HG SER 29 HG SER 29 4.822 10.912 -11.247 192 H GLN 30 H GLN 30 7.621 9.667 -14.119 193 HA GLN 30 HA GLN 30 10.101 8.403 -13.622 194 HB2 GLN 30 HB2 GLN 30 10.360 8.234 -15.992 195 HB3 GLN 30 HB3 GLN 30 8.701 7.864 -15.563 196 HG2 GLN 30 HG2 GLN 30 9.668 10.473 -16.692 197 HG3 GLN 30 HG3 GLN 30 8.916 9.184 -17.624 198 HE21 GLN 30 HE21 GLN 30 8.420 11.908 -15.636 199 HE22 GLN 30 HE22 GLN 30 6.688 11.871 -15.617 200 H ALA 31 H ALA 31 9.294 11.713 -13.886 201 HA ALA 31 HA ALA 31 11.692 12.717 -15.013 202 HB1 ALA 31 HB1 ALA 31 9.824 14.078 -13.069 203 HB2 ALA 31 HB2 ALA 31 9.647 14.065 -14.824 204 HB3 ALA 31 HB3 ALA 31 11.029 14.872 -14.084 205 H CYS 32 H CYS 32 10.712 12.703 -11.583 206 HA CYS 32 HA CYS 32 13.317 13.283 -10.653 207 HB2 CYS 32 HB2 CYS 32 10.990 12.055 -9.167 208 HB3 CYS 32 HB3 CYS 32 12.408 12.803 -8.438 209 H ALA 33 H ALA 33 11.601 10.364 -11.384 210 HA ALA 33 HA ALA 33 13.095 8.511 -9.916 211 HB1 ALA 33 HB1 ALA 33 12.207 6.822 -11.398 212 HB2 ALA 33 HB2 ALA 33 11.778 8.047 -12.589 213 HB3 ALA 33 HB3 ALA 33 10.948 8.002 -11.033 214 H GLU 34 H GLU 34 13.446 9.562 -13.263 215 HA GLU 34 HA GLU 34 15.859 8.046 -13.651 216 HB2 GLU 34 HB2 GLU 34 14.593 10.157 -15.403 217 HB3 GLU 34 HB3 GLU 34 15.911 9.094 -15.875 218 HG2 GLU 34 HG2 GLU 34 13.088 8.295 -15.212 219 HG3 GLU 34 HG3 GLU 34 13.848 8.295 -16.802 220 H GLN 35 H GLN 35 15.367 10.643 -11.852 221 HA GLN 35 HA GLN 35 16.658 12.258 -10.957 222 HB2 GLN 35 HB2 GLN 35 18.845 10.738 -12.377 223 HB3 GLN 35 HB3 GLN 35 19.150 12.087 -11.288 224 HG2 GLN 35 HG2 GLN 35 18.222 10.893 -9.435 225 HG3 GLN 35 HG3 GLN 35 17.664 9.596 -10.489 226 HE21 GLN 35 HE21 GLN 35 18.797 8.069 -9.301 227 HE22 GLN 35 HE22 GLN 35 20.514 7.908 -9.411 228 H HIS 36 H HIS 36 15.424 12.492 -13.602 229 HA HIS 36 HA HIS 36 15.119 14.021 -15.232 230 HB2 HIS 36 HB2 HIS 36 16.898 15.824 -13.573 231 HB3 HIS 36 HB3 HIS 36 15.736 16.329 -14.795 232 HD1 HIS 36 HD1 HIS 36 13.498 16.999 -13.885 233 HD2 HIS 36 HD2 HIS 36 15.502 14.395 -11.345 234 HE1 HIS 36 HE1 HIS 36 12.071 16.805 -11.836 235 HA PRO 37 HA PRO 37 19.105 13.082 -17.311 236 HB2 PRO 37 HB2 PRO 37 18.037 11.818 -19.438 237 HB3 PRO 37 HB3 PRO 37 18.317 10.992 -17.902 238 HG2 PRO 37 HG2 PRO 37 15.779 12.115 -19.014 239 HG3 PRO 37 HG3 PRO 37 16.046 10.589 -18.150 240 HD2 PRO 37 HD2 PRO 37 15.033 12.838 -16.975 241 HD3 PRO 37 HD3 PRO 37 15.944 11.596 -16.094 242 H ASN 38 H ASN 38 16.167 14.652 -18.256 243 HA ASN 38 HA ASN 38 17.550 16.001 -20.493 244 HB2 ASN 38 HB2 ASN 38 15.476 14.751 -21.045 245 HB3 ASN 38 HB3 ASN 38 14.586 15.815 -19.957 246 HD21 ASN 38 HD21 ASN 38 16.474 15.662 -22.867 247 HD22 ASN 38 HD22 ASN 38 15.875 17.125 -23.557 248 H GLY 39 H GLY 39 15.991 16.422 -17.440 249 HA2 GLY 39 HA2 GLY 39 16.412 18.355 -16.083 250 HA3 GLY 39 HA3 GLY 39 16.591 19.304 -17.559 251 H GLU 40 H GLU 40 14.130 16.973 -17.340 252 HA GLU 40 HA GLU 40 12.083 18.888 -17.849 253 HB2 GLU 40 HB2 GLU 40 10.601 16.904 -17.847 254 HB3 GLU 40 HB3 GLU 40 11.991 16.711 -18.903 255 HG2 GLU 40 HG2 GLU 40 12.069 15.638 -16.108 256 HG3 GLU 40 HG3 GLU 40 11.228 14.752 -17.374 257 HA PRO 41 HA PRO 41 10.850 19.391 -13.588 258 HB2 PRO 41 HB2 PRO 41 8.506 20.649 -13.981 259 HB3 PRO 41 HB3 PRO 41 10.048 21.454 -14.296 260 HG2 PRO 41 HG2 PRO 41 8.147 20.185 -16.226 261 HG3 PRO 41 HG3 PRO 41 9.040 21.710 -16.371 262 HD2 PRO 41 HD2 PRO 41 9.824 19.361 -17.552 263 HD3 PRO 41 HD3 PRO 41 10.944 20.661 -17.101 264 H CYS 42 H CYS 42 9.416 18.405 -12.129 265 HA CYS 42 HA CYS 42 7.952 16.152 -13.235 266 HB2 CYS 42 HB2 CYS 42 7.887 15.371 -10.893 267 HB3 CYS 42 HB3 CYS 42 9.524 15.751 -11.400 268 HA PRO 43 HA PRO 43 3.936 17.941 -12.560 269 HB2 PRO 43 HB2 PRO 43 2.434 15.863 -11.751 270 HB3 PRO 43 HB3 PRO 43 3.105 15.941 -13.385 271 HG2 PRO 43 HG2 PRO 43 4.140 14.466 -10.988 272 HG3 PRO 43 HG3 PRO 43 3.938 13.883 -12.650 273 HD2 PRO 43 HD2 PRO 43 6.318 14.702 -11.691 274 HD3 PRO 43 HD3 PRO 43 5.855 14.933 -13.387 275 H ALA 44 H ALA 44 5.661 18.396 -10.342 276 HA ALA 44 HA ALA 44 3.872 18.022 -8.045 277 HB1 ALA 44 HB1 ALA 44 6.788 18.778 -8.074 278 HB2 ALA 44 HB2 ALA 44 6.147 17.166 -7.767 279 HB3 ALA 44 HB3 ALA 44 5.796 18.484 -6.646 280 HA PRO 45 HA PRO 45 2.895 22.366 -8.289 281 HB2 PRO 45 HB2 PRO 45 1.761 22.610 -5.829 282 HB3 PRO 45 HB3 PRO 45 0.938 21.830 -7.185 283 HG2 PRO 45 HG2 PRO 45 2.453 20.578 -4.919 284 HG3 PRO 45 HG3 PRO 45 0.882 20.110 -5.599 285 HD2 PRO 45 HD2 PRO 45 3.157 18.821 -6.224 286 HD3 PRO 45 HD3 PRO 45 1.853 19.048 -7.410 287 H ASP 46 H ASP 46 4.537 20.971 -5.506 288 HA ASP 46 HA ASP 46 5.741 23.553 -4.804 289 HB2 ASP 46 HB2 ASP 46 4.648 22.091 -3.050 290 HB3 ASP 46 HB3 ASP 46 5.913 20.907 -3.335 291 H CYS 47 H CYS 47 6.424 21.958 -7.175 292 HA CYS 47 HA CYS 47 8.743 20.456 -6.931 293 HB2 CYS 47 HB2 CYS 47 7.412 20.481 -8.962 294 HB3 CYS 47 HB3 CYS 47 7.820 22.170 -9.235 295 H HIS 48 H HIS 48 10.872 20.868 -7.037 296 HA HIS 48 HA HIS 48 11.734 23.685 -7.036 297 HB2 HIS 48 HB2 HIS 48 11.885 22.894 -4.749 298 HB3 HIS 48 HB3 HIS 48 12.751 21.452 -5.262 299 HD1 HIS 48 HD1 HIS 48 15.136 21.621 -4.653 300 HD2 HIS 48 HD2 HIS 48 13.578 25.324 -5.702 301 HE1 HIS 48 HE1 HIS 48 17.049 23.236 -4.463 302 HE2 HIS 48 HE2 HIS 48 16.003 25.491 -4.835 303 H CYS 49 H CYS 49 12.357 20.367 -7.954 304 HA CYS 49 HA CYS 49 14.947 20.862 -9.055 305 HB2 CYS 49 HB2 CYS 49 14.570 18.569 -10.076 306 HB3 CYS 49 HB3 CYS 49 14.534 18.660 -8.316 307 H GLU 50 H GLU 50 12.017 21.899 -10.010 308 HA GLU 50 HA GLU 50 11.743 21.587 -12.726 309 HB2 GLU 50 HB2 GLU 50 10.205 22.905 -11.322 310 HB3 GLU 50 HB3 GLU 50 11.443 24.130 -11.108 311 HG2 GLU 50 HG2 GLU 50 11.377 24.513 -13.574 312 HG3 GLU 50 HG3 GLU 50 9.993 23.424 -13.644 313 H ARG 51 H ARG 51 13.867 23.722 -10.931 314 HA ARG 51 HA ARG 51 15.230 24.533 -13.352 315 HB2 ARG 51 HB2 ARG 51 16.575 25.955 -11.824 316 HB3 ARG 51 HB3 ARG 51 14.852 26.271 -11.705 317 HG2 ARG 51 HG2 ARG 51 14.827 24.787 -9.680 318 HG3 ARG 51 HG3 ARG 51 16.590 24.765 -9.769 319 HD2 ARG 51 HD2 ARG 51 15.844 26.456 -8.206 320 HD3 ARG 51 HD3 ARG 51 16.609 27.212 -9.606 321 HE ARG 51 HE ARG 51 13.917 27.109 -10.175 322 HH11 ARG 51 HH11 ARG 51 15.940 28.568 -7.717 323 HH12 ARG 51 HH12 ARG 51 14.863 29.888 -7.435 324 HH21 ARG 51 HH21 ARG 51 12.478 28.845 -9.794 325 HH22 ARG 51 HH22 ARG 51 12.884 30.049 -8.623 326 H SER 52 H SER 52 16.843 23.391 -14.113 327 HA SER 52 HA SER 52 18.797 22.159 -12.434 328 HB2 SER 52 HB2 SER 52 18.264 19.843 -13.574 329 HB3 SER 52 HB3 SER 52 17.410 20.334 -12.113 330 HG SER 52 HG SER 52 15.613 20.491 -13.200 Start of MODEL 17 1 HA ASN 1 HA ASN 1 5.725 5.128 6.513 2 HB2 ASN 1 HB2 ASN 1 4.592 3.061 5.991 3 HB3 ASN 1 HB3 ASN 1 3.203 3.929 5.350 4 HD21 ASN 1 HD21 ASN 1 6.494 2.952 4.774 5 HD22 ASN 1 HD22 ASN 1 6.512 3.308 3.081 6 H GLU 2 H GLU 2 6.313 7.036 5.762 7 HA GLU 2 HA GLU 2 4.325 8.665 4.359 8 HB2 GLU 2 HB2 GLU 2 5.498 9.789 6.201 9 HB3 GLU 2 HB3 GLU 2 7.043 9.433 5.440 10 HG2 GLU 2 HG2 GLU 2 6.373 10.796 3.501 11 HG3 GLU 2 HG3 GLU 2 4.872 11.197 4.331 12 H LEU 3 H LEU 3 4.308 8.271 2.255 13 HA LEU 3 HA LEU 3 6.771 7.456 0.951 14 HB2 LEU 3 HB2 LEU 3 4.699 6.182 0.553 15 HB3 LEU 3 HB3 LEU 3 3.963 7.615 -0.136 16 HG LEU 3 HG LEU 3 5.576 7.581 -1.976 17 HD11 LEU 3 HD11 LEU 3 7.079 5.670 -2.259 18 HD12 LEU 3 HD12 LEU 3 6.632 5.089 -0.657 19 HD13 LEU 3 HD13 LEU 3 7.481 6.624 -0.833 20 HD21 LEU 3 HD21 LEU 3 4.205 4.937 -1.515 21 HD22 LEU 3 HD22 LEU 3 4.789 5.535 -3.068 22 HD23 LEU 3 HD23 LEU 3 3.481 6.376 -2.235 23 H ARG 4 H ARG 4 8.030 8.975 0.230 24 HA ARG 4 HA ARG 4 6.812 11.308 -1.057 25 HB2 ARG 4 HB2 ARG 4 8.743 12.680 -0.295 26 HB3 ARG 4 HB3 ARG 4 7.723 12.121 1.017 27 HG2 ARG 4 HG2 ARG 4 10.142 10.539 0.301 28 HG3 ARG 4 HG3 ARG 4 10.329 12.046 1.198 29 HD2 ARG 4 HD2 ARG 4 8.834 11.231 2.928 30 HD3 ARG 4 HD3 ARG 4 8.552 9.750 2.016 31 HE ARG 4 HE ARG 4 11.060 9.418 2.303 32 HH11 ARG 4 HH11 ARG 4 9.070 11.098 4.687 33 HH12 ARG 4 HH12 ARG 4 10.071 10.628 6.016 34 HH21 ARG 4 HH21 ARG 4 12.370 8.826 4.053 35 HH22 ARG 4 HH22 ARG 4 11.967 9.331 5.660 36 H CYS 5 H CYS 5 8.504 12.438 -2.483 37 HA CYS 5 HA CYS 5 9.312 10.480 -4.378 38 HB2 CYS 5 HB2 CYS 5 8.324 12.769 -4.843 39 HB3 CYS 5 HB3 CYS 5 9.906 13.426 -4.445 40 H GLY 6 H GLY 6 11.458 10.378 -5.310 41 HA2 GLY 6 HA2 GLY 6 13.496 10.077 -3.359 42 HA3 GLY 6 HA3 GLY 6 13.701 9.952 -5.103 43 H CYS 7 H CYS 7 12.690 12.584 -5.651 44 HA CYS 7 HA CYS 7 15.001 14.149 -5.382 45 HB2 CYS 7 HB2 CYS 7 12.322 14.413 -6.475 46 HB3 CYS 7 HB3 CYS 7 12.829 15.903 -5.705 47 HA PRO 8 HA PRO 8 14.244 14.851 -1.005 48 HB2 PRO 8 HB2 PRO 8 16.612 16.007 -0.427 49 HB3 PRO 8 HB3 PRO 8 16.434 14.267 -0.682 50 HG2 PRO 8 HG2 PRO 8 17.419 16.370 -2.571 51 HG3 PRO 8 HG3 PRO 8 18.055 14.741 -2.281 52 HD2 PRO 8 HD2 PRO 8 16.467 15.364 -4.404 53 HD3 PRO 8 HD3 PRO 8 16.499 13.754 -3.657 54 H ASP 9 H ASP 9 15.044 17.343 -3.294 55 HA ASP 9 HA ASP 9 14.487 19.430 -1.313 56 HB2 ASP 9 HB2 ASP 9 16.429 19.729 -2.803 57 HB3 ASP 9 HB3 ASP 9 15.363 19.677 -4.199 58 H CYS 10 H CYS 10 12.948 17.607 -3.634 59 HA CYS 10 HA CYS 10 10.873 19.630 -4.047 60 HB2 CYS 10 HB2 CYS 10 12.060 18.532 -6.018 61 HB3 CYS 10 HB3 CYS 10 11.209 17.057 -5.567 62 H HIS 11 H HIS 11 8.692 19.070 -3.701 63 HA HIS 11 HA HIS 11 8.303 16.600 -2.156 64 HB2 HIS 11 HB2 HIS 11 6.943 19.271 -1.714 65 HB3 HIS 11 HB3 HIS 11 6.522 17.780 -0.880 66 HD2 HIS 11 HD2 HIS 11 9.656 20.169 -1.117 67 HE1 HIS 11 HE1 HIS 11 9.704 18.168 2.614 68 HE2 HIS 11 HE2 HIS 11 10.915 19.764 1.090 69 H CYS 12 H CYS 12 7.526 15.343 -3.707 70 HA CYS 12 HA CYS 12 5.331 16.324 -5.374 71 HB2 CYS 12 HB2 CYS 12 6.793 13.733 -5.724 72 HB3 CYS 12 HB3 CYS 12 5.916 14.672 -6.925 73 H LYS 13 H LYS 13 3.429 15.118 -5.585 74 HA LYS 13 HA LYS 13 2.725 13.562 -3.280 75 HB2 LYS 13 HB2 LYS 13 0.499 13.368 -4.359 76 HB3 LYS 13 HB3 LYS 13 1.029 15.026 -4.158 77 HG2 LYS 13 HG2 LYS 13 1.189 15.396 -6.398 78 HG3 LYS 13 HG3 LYS 13 1.603 13.717 -6.758 79 HD2 LYS 13 HD2 LYS 13 -1.116 14.596 -5.828 80 HD3 LYS 13 HD3 LYS 13 -0.677 14.455 -7.534 81 HE2 LYS 13 HE2 LYS 13 -0.213 12.089 -7.247 82 HE3 LYS 13 HE3 LYS 13 -0.514 12.206 -5.517 83 HZ1 LYS 13 HZ1 LYS 13 -2.812 12.790 -6.014 84 HZ2 LYS 13 HZ2 LYS 13 -2.406 11.282 -6.647 85 HZ3 LYS 13 HZ3 LYS 13 -2.519 12.622 -7.672 86 H VAL 14 H VAL 14 3.684 11.635 -3.217 87 HA VAL 14 HA VAL 14 3.813 10.060 -5.662 88 HB VAL 14 HB VAL 14 5.054 9.488 -2.970 89 HG11 VAL 14 HG11 VAL 14 5.507 8.230 -5.674 90 HG12 VAL 14 HG12 VAL 14 4.679 7.480 -4.307 91 HG13 VAL 14 HG13 VAL 14 6.400 7.855 -4.200 92 HG21 VAL 14 HG21 VAL 14 7.144 10.200 -4.014 93 HG22 VAL 14 HG22 VAL 14 5.959 11.507 -3.986 94 HG23 VAL 14 HG23 VAL 14 6.262 10.621 -5.481 95 H ASP 15 H ASP 15 2.418 8.580 -6.056 96 HA ASP 15 HA ASP 15 0.473 7.871 -4.016 97 HB2 ASP 15 HB2 ASP 15 -0.119 8.537 -6.421 98 HB3 ASP 15 HB3 ASP 15 0.478 6.948 -6.864 99 HA PRO 16 HA PRO 16 2.460 4.023 -3.059 100 HB2 PRO 16 HB2 PRO 16 -0.329 3.102 -2.586 101 HB3 PRO 16 HB3 PRO 16 1.075 3.024 -1.516 102 HG2 PRO 16 HG2 PRO 16 -0.847 4.809 -1.090 103 HG3 PRO 16 HG3 PRO 16 0.858 5.237 -0.853 104 HD2 PRO 16 HD2 PRO 16 -0.974 5.928 -3.111 105 HD3 PRO 16 HD3 PRO 16 0.283 6.910 -2.328 106 H GLU 17 H GLU 17 -0.252 4.237 -5.302 107 HA GLU 17 HA GLU 17 0.460 1.599 -6.371 108 HB2 GLU 17 HB2 GLU 17 -1.898 1.963 -5.778 109 HB3 GLU 17 HB3 GLU 17 -1.976 3.304 -6.908 110 HG2 GLU 17 HG2 GLU 17 -1.546 1.795 -8.755 111 HG3 GLU 17 HG3 GLU 17 -1.417 0.440 -7.633 112 H ARG 18 H ARG 18 0.799 4.928 -7.021 113 HA ARG 18 HA ARG 18 1.504 4.299 -9.817 114 HB2 ARG 18 HB2 ARG 18 0.381 6.932 -8.818 115 HB3 ARG 18 HB3 ARG 18 0.884 6.595 -10.463 116 HG2 ARG 18 HG2 ARG 18 -1.393 6.319 -10.634 117 HG3 ARG 18 HG3 ARG 18 -0.871 4.671 -10.291 118 HD2 ARG 18 HD2 ARG 18 -1.386 4.970 -7.946 119 HD3 ARG 18 HD3 ARG 18 -1.869 6.634 -8.249 120 HE ARG 18 HE ARG 18 -3.415 5.050 -9.903 121 HH11 ARG 18 HH11 ARG 18 -2.890 5.371 -6.436 122 HH12 ARG 18 HH12 ARG 18 -4.525 4.951 -6.034 123 HH21 ARG 18 HH21 ARG 18 -5.586 4.505 -9.334 124 HH22 ARG 18 HH22 ARG 18 -6.045 4.476 -7.666 125 H VAL 19 H VAL 19 3.176 4.164 -7.545 126 HA VAL 19 HA VAL 19 4.897 6.475 -7.653 127 HB VAL 19 HB VAL 19 4.720 5.537 -5.486 128 HG11 VAL 19 HG11 VAL 19 5.425 2.868 -6.695 129 HG12 VAL 19 HG12 VAL 19 3.861 3.351 -6.033 130 HG13 VAL 19 HG13 VAL 19 5.259 3.189 -4.968 131 HG21 VAL 19 HG21 VAL 19 6.970 6.234 -6.012 132 HG22 VAL 19 HG22 VAL 19 7.342 4.636 -6.662 133 HG23 VAL 19 HG23 VAL 19 7.005 4.834 -4.941 134 H PHE 20 H PHE 20 6.552 6.723 -8.976 135 HA PHE 20 HA PHE 20 7.369 4.628 -10.751 136 HB2 PHE 20 HB2 PHE 20 7.359 7.357 -10.901 137 HB3 PHE 20 HB3 PHE 20 9.044 7.035 -10.519 138 HD1 PHE 20 HD1 PHE 20 6.475 6.899 -12.978 139 HD2 PHE 20 HD2 PHE 20 10.394 5.598 -12.029 140 HE1 PHE 20 HE1 PHE 20 6.859 6.349 -15.357 141 HE2 PHE 20 HE2 PHE 20 10.802 5.045 -14.391 142 HZ PHE 20 HZ PHE 20 9.029 5.421 -16.058 143 H ASN 21 H ASN 21 8.731 3.092 -10.075 144 HA ASN 21 HA ASN 21 10.542 3.717 -7.869 145 HB2 ASN 21 HB2 ASN 21 9.130 1.706 -7.647 146 HB3 ASN 21 HB3 ASN 21 9.869 1.037 -9.098 147 HD21 ASN 21 HD21 ASN 21 12.013 0.339 -9.018 148 HD22 ASN 21 HD22 ASN 21 12.801 -0.001 -7.518 149 H HIS 22 H HIS 22 12.593 4.112 -8.214 150 HA HIS 22 HA HIS 22 13.929 2.882 -10.500 151 HB2 HIS 22 HB2 HIS 22 13.269 5.086 -11.326 152 HB3 HIS 22 HB3 HIS 22 13.978 5.859 -9.915 153 HD2 HIS 22 HD2 HIS 22 16.858 5.860 -9.911 154 HE1 HIS 22 HE1 HIS 22 17.156 5.004 -14.052 155 HE2 HIS 22 HE2 HIS 22 18.419 5.576 -11.951 156 H ASP 23 H ASP 23 15.752 1.994 -9.888 157 HA ASP 23 HA ASP 23 17.624 1.443 -8.735 158 HB2 ASP 23 HB2 ASP 23 18.205 3.856 -9.197 159 HB3 ASP 23 HB3 ASP 23 17.551 4.260 -7.614 160 H GLY 24 H GLY 24 14.853 1.348 -7.571 161 HA2 GLY 24 HA2 GLY 24 14.114 0.204 -5.670 162 HA3 GLY 24 HA3 GLY 24 15.676 0.494 -4.918 163 H GLU 25 H GLU 25 14.795 3.381 -6.134 164 HA GLU 25 HA GLU 25 13.707 4.238 -3.557 165 HB2 GLU 25 HB2 GLU 25 15.828 5.274 -4.578 166 HB3 GLU 25 HB3 GLU 25 14.743 6.010 -5.750 167 HG2 GLU 25 HG2 GLU 25 13.666 7.301 -4.103 168 HG3 GLU 25 HG3 GLU 25 14.438 6.404 -2.796 169 H ALA 26 H ALA 26 11.976 5.729 -3.533 170 HA ALA 26 HA ALA 26 10.020 5.157 -5.627 171 HB1 ALA 26 HB1 ALA 26 9.353 4.674 -3.345 172 HB2 ALA 26 HB2 ALA 26 8.371 5.980 -4.006 173 HB3 ALA 26 HB3 ALA 26 9.673 6.342 -2.877 174 H TYR 27 H TYR 27 9.116 6.682 -6.895 175 HA TYR 27 HA TYR 27 9.697 9.515 -6.378 176 HB2 TYR 27 HB2 TYR 27 10.102 8.099 -9.021 177 HB3 TYR 27 HB3 TYR 27 10.136 9.841 -8.808 178 HD1 TYR 27 HD1 TYR 27 11.959 6.724 -8.420 179 HD2 TYR 27 HD2 TYR 27 12.016 10.906 -7.599 180 HE1 TYR 27 HE1 TYR 27 14.369 6.604 -7.987 181 HE2 TYR 27 HE2 TYR 27 14.422 10.789 -7.170 182 HH TYR 27 HH TYR 27 16.027 8.823 -6.354 183 H CYS 28 H CYS 28 8.279 10.939 -7.644 184 HA CYS 28 HA CYS 28 5.580 9.985 -7.666 185 HB2 CYS 28 HB2 CYS 28 5.064 12.252 -8.443 186 HB3 CYS 28 HB3 CYS 28 6.158 12.279 -7.060 187 H SER 29 H SER 29 7.948 10.911 -10.107 188 HA SER 29 HA SER 29 6.498 9.436 -12.147 189 HB2 SER 29 HB2 SER 29 5.636 11.817 -12.155 190 HB3 SER 29 HB3 SER 29 7.276 12.340 -12.531 191 HG SER 29 HG SER 29 5.462 10.874 -14.108 192 H GLN 30 H GLN 30 7.899 9.805 -14.300 193 HA GLN 30 HA GLN 30 10.414 8.669 -13.684 194 HB2 GLN 30 HB2 GLN 30 10.841 8.652 -16.084 195 HB3 GLN 30 HB3 GLN 30 9.242 8.029 -15.709 196 HG2 GLN 30 HG2 GLN 30 9.664 10.871 -16.513 197 HG3 GLN 30 HG3 GLN 30 9.510 9.589 -17.717 198 HE21 GLN 30 HE21 GLN 30 7.813 11.864 -17.258 199 HE22 GLN 30 HE22 GLN 30 6.239 11.244 -16.896 200 H ALA 31 H ALA 31 9.402 11.938 -14.164 201 HA ALA 31 HA ALA 31 11.727 13.144 -15.100 202 HB1 ALA 31 HB1 ALA 31 9.773 14.268 -13.093 203 HB2 ALA 31 HB2 ALA 31 9.596 14.326 -14.847 204 HB3 ALA 31 HB3 ALA 31 10.914 15.197 -14.065 205 H CYS 32 H CYS 32 10.771 12.910 -11.655 206 HA CYS 32 HA CYS 32 13.334 13.678 -10.725 207 HB2 CYS 32 HB2 CYS 32 11.122 12.227 -9.242 208 HB3 CYS 32 HB3 CYS 32 12.480 13.077 -8.496 209 H ALA 33 H ALA 33 11.859 10.639 -11.509 210 HA ALA 33 HA ALA 33 13.571 8.898 -10.105 211 HB1 ALA 33 HB1 ALA 33 11.382 8.235 -11.055 212 HB2 ALA 33 HB2 ALA 33 12.690 7.142 -11.506 213 HB3 ALA 33 HB3 ALA 33 12.092 8.324 -12.669 214 H GLU 34 H GLU 34 13.689 10.145 -13.392 215 HA GLU 34 HA GLU 34 16.139 8.727 -14.006 216 HB2 GLU 34 HB2 GLU 34 14.541 10.755 -15.574 217 HB3 GLU 34 HB3 GLU 34 15.981 9.953 -16.180 218 HG2 GLU 34 HG2 GLU 34 14.872 7.804 -16.048 219 HG3 GLU 34 HG3 GLU 34 13.444 8.564 -15.347 220 H GLN 35 H GLN 35 15.618 11.243 -12.095 221 HA GLN 35 HA GLN 35 16.869 12.917 -11.232 222 HB2 GLN 35 HB2 GLN 35 19.081 11.732 -12.924 223 HB3 GLN 35 HB3 GLN 35 19.312 12.968 -11.696 224 HG2 GLN 35 HG2 GLN 35 18.481 11.412 -9.992 225 HG3 GLN 35 HG3 GLN 35 18.297 10.173 -11.233 226 HE21 GLN 35 HE21 GLN 35 20.531 12.008 -9.326 227 HE22 GLN 35 HE22 GLN 35 21.922 11.036 -9.658 228 H HIS 36 H HIS 36 15.411 13.107 -13.781 229 HA HIS 36 HA HIS 36 14.891 14.628 -15.370 230 HB2 HIS 36 HB2 HIS 36 16.561 16.532 -13.711 231 HB3 HIS 36 HB3 HIS 36 15.320 16.974 -14.878 232 HD1 HIS 36 HD1 HIS 36 13.036 17.327 -13.929 233 HD2 HIS 36 HD2 HIS 36 15.408 14.979 -11.461 234 HE1 HIS 36 HE1 HIS 36 11.689 16.944 -11.854 235 HA PRO 37 HA PRO 37 18.943 14.028 -17.490 236 HB2 PRO 37 HB2 PRO 37 17.917 12.813 -19.688 237 HB3 PRO 37 HB3 PRO 37 18.330 11.935 -18.213 238 HG2 PRO 37 HG2 PRO 37 15.662 12.880 -19.172 239 HG3 PRO 37 HG3 PRO 37 16.095 11.343 -18.402 240 HD2 PRO 37 HD2 PRO 37 14.921 13.394 -17.063 241 HD3 PRO 37 HD3 PRO 37 16.025 12.241 -16.289 242 H ASN 38 H ASN 38 15.850 15.244 -18.656 243 HA ASN 38 HA ASN 38 17.216 16.786 -20.753 244 HB2 ASN 38 HB2 ASN 38 15.191 15.432 -21.302 245 HB3 ASN 38 HB3 ASN 38 14.257 16.512 -20.270 246 HD21 ASN 38 HD21 ASN 38 16.190 16.278 -23.134 247 HD22 ASN 38 HD22 ASN 38 15.595 17.708 -23.889 248 H GLY 39 H GLY 39 15.641 17.103 -17.703 249 HA2 GLY 39 HA2 GLY 39 16.019 19.055 -16.345 250 HA3 GLY 39 HA3 GLY 39 16.094 20.015 -17.819 251 H GLU 40 H GLU 40 13.762 17.542 -17.228 252 HA GLU 40 HA GLU 40 11.610 19.421 -17.643 253 HB2 GLU 40 HB2 GLU 40 10.209 17.349 -17.698 254 HB3 GLU 40 HB3 GLU 40 11.484 17.391 -18.903 255 HG2 GLU 40 HG2 GLU 40 11.822 15.946 -16.286 256 HG3 GLU 40 HG3 GLU 40 11.048 15.188 -17.670 257 HA PRO 41 HA PRO 41 10.964 19.619 -13.153 258 HB2 PRO 41 HB2 PRO 41 8.737 21.385 -13.948 259 HB3 PRO 41 HB3 PRO 41 10.117 21.736 -12.903 260 HG2 PRO 41 HG2 PRO 41 9.913 22.807 -15.353 261 HG3 PRO 41 HG3 PRO 41 11.480 22.329 -14.676 262 HD2 PRO 41 HD2 PRO 41 9.758 20.888 -16.663 263 HD3 PRO 41 HD3 PRO 41 11.521 21.127 -16.658 264 H CYS 42 H CYS 42 9.633 18.333 -11.959 265 HA CYS 42 HA CYS 42 7.780 16.655 -13.322 266 HB2 CYS 42 HB2 CYS 42 7.467 15.614 -11.122 267 HB3 CYS 42 HB3 CYS 42 9.174 15.846 -11.475 268 HA PRO 43 HA PRO 43 3.978 18.839 -12.600 269 HB2 PRO 43 HB2 PRO 43 2.203 16.830 -12.374 270 HB3 PRO 43 HB3 PRO 43 3.021 17.181 -13.902 271 HG2 PRO 43 HG2 PRO 43 3.681 15.103 -11.842 272 HG3 PRO 43 HG3 PRO 43 3.574 14.928 -13.604 273 HD2 PRO 43 HD2 PRO 43 5.932 15.228 -12.326 274 HD3 PRO 43 HD3 PRO 43 5.645 15.877 -13.950 275 H ALA 44 H ALA 44 5.582 18.393 -10.169 276 HA ALA 44 HA ALA 44 3.681 17.617 -8.121 277 HB1 ALA 44 HB1 ALA 44 6.504 18.659 -7.898 278 HB2 ALA 44 HB2 ALA 44 6.010 16.966 -7.866 279 HB3 ALA 44 HB3 ALA 44 5.528 18.052 -6.563 280 HA PRO 45 HA PRO 45 2.138 21.728 -7.409 281 HB2 PRO 45 HB2 PRO 45 1.218 21.422 -4.886 282 HB3 PRO 45 HB3 PRO 45 0.419 20.667 -6.272 283 HG2 PRO 45 HG2 PRO 45 2.392 19.471 -4.353 284 HG3 PRO 45 HG3 PRO 45 0.840 18.805 -4.904 285 HD2 PRO 45 HD2 PRO 45 3.168 18.012 -5.970 286 HD3 PRO 45 HD3 PRO 45 1.709 18.186 -6.969 287 H ASP 46 H ASP 46 4.505 20.239 -5.360 288 HA ASP 46 HA ASP 46 5.365 22.891 -4.423 289 HB2 ASP 46 HB2 ASP 46 4.483 21.294 -2.651 290 HB3 ASP 46 HB3 ASP 46 5.872 20.271 -3.007 291 H CYS 47 H CYS 47 5.981 21.573 -6.861 292 HA CYS 47 HA CYS 47 8.403 20.226 -6.915 293 HB2 CYS 47 HB2 CYS 47 6.899 20.417 -8.847 294 HB3 CYS 47 HB3 CYS 47 7.294 22.126 -8.979 295 H HIS 48 H HIS 48 10.471 20.797 -6.789 296 HA HIS 48 HA HIS 48 11.175 23.661 -6.785 297 HB2 HIS 48 HB2 HIS 48 12.089 21.596 -4.771 298 HB3 HIS 48 HB3 HIS 48 12.816 23.183 -4.946 299 HD1 HIS 48 HD1 HIS 48 11.167 21.843 -2.463 300 HD2 HIS 48 HD2 HIS 48 9.969 24.907 -4.998 301 HE1 HIS 48 HE1 HIS 48 9.432 23.139 -1.189 302 HE2 HIS 48 HE2 HIS 48 8.631 24.898 -2.787 303 H CYS 49 H CYS 49 11.519 20.978 -8.442 304 HA CYS 49 HA CYS 49 14.430 21.233 -8.797 305 HB2 CYS 49 HB2 CYS 49 14.346 18.877 -9.564 306 HB3 CYS 49 HB3 CYS 49 13.860 19.084 -7.882 307 H GLU 50 H GLU 50 15.181 20.570 -10.960 308 HA GLU 50 HA GLU 50 13.460 20.482 -13.187 309 HB2 GLU 50 HB2 GLU 50 14.212 22.631 -14.263 310 HB3 GLU 50 HB3 GLU 50 13.126 22.837 -12.900 311 HG2 GLU 50 HG2 GLU 50 15.080 23.349 -11.475 312 HG3 GLU 50 HG3 GLU 50 16.110 23.235 -12.899 313 H ARG 51 H ARG 51 16.716 21.629 -12.318 314 HA ARG 51 HA ARG 51 17.837 20.141 -14.556 315 HB2 ARG 51 HB2 ARG 51 19.936 21.297 -14.008 316 HB3 ARG 51 HB3 ARG 51 18.616 22.419 -14.283 317 HG2 ARG 51 HG2 ARG 51 18.356 22.695 -11.862 318 HG3 ARG 51 HG3 ARG 51 19.691 21.572 -11.602 319 HD2 ARG 51 HD2 ARG 51 19.822 24.243 -12.995 320 HD3 ARG 51 HD3 ARG 51 20.483 23.850 -11.410 321 HE ARG 51 HE ARG 51 21.458 22.700 -13.948 322 HH11 ARG 51 HH11 ARG 51 22.045 23.866 -10.687 323 HH12 ARG 51 HH12 ARG 51 23.752 23.622 -10.773 324 HH21 ARG 51 HH21 ARG 51 23.726 22.379 -14.051 325 HH22 ARG 51 HH22 ARG 51 24.706 22.763 -12.676 326 H SER 52 H SER 52 19.794 18.852 -14.211 327 HA SER 52 HA SER 52 19.441 16.928 -12.147 328 HB2 SER 52 HB2 SER 52 21.849 17.291 -13.936 329 HB3 SER 52 HB3 SER 52 21.324 15.811 -13.134 330 HG SER 52 HG SER 52 19.433 15.876 -14.437 Start of MODEL 18 1 HA ASN 1 HA ASN 1 1.668 10.966 2.102 2 HB2 ASN 1 HB2 ASN 1 4.391 11.972 1.232 3 HB3 ASN 1 HB3 ASN 1 3.442 10.760 0.379 4 HD21 ASN 1 HD21 ASN 1 3.845 14.113 1.082 5 HD22 ASN 1 HD22 ASN 1 2.658 14.703 -0.029 6 H GLU 2 H GLU 2 1.945 8.840 2.430 7 HA GLU 2 HA GLU 2 3.759 7.947 4.440 8 HB2 GLU 2 HB2 GLU 2 2.019 6.410 2.504 9 HB3 GLU 2 HB3 GLU 2 2.932 5.673 3.809 10 HG2 GLU 2 HG2 GLU 2 1.648 6.980 5.434 11 HG3 GLU 2 HG3 GLU 2 0.715 7.682 4.113 12 H LEU 3 H LEU 3 3.678 7.962 0.966 13 HA LEU 3 HA LEU 3 6.401 6.872 0.933 14 HB2 LEU 3 HB2 LEU 3 4.635 5.551 -0.271 15 HB3 LEU 3 HB3 LEU 3 4.398 6.926 -1.328 16 HG LEU 3 HG LEU 3 6.663 6.689 -2.199 17 HD11 LEU 3 HD11 LEU 3 8.043 4.761 -1.561 18 HD12 LEU 3 HD12 LEU 3 6.877 4.352 -0.304 19 HD13 LEU 3 HD13 LEU 3 7.782 5.863 -0.211 20 HD21 LEU 3 HD21 LEU 3 6.386 4.534 -3.332 21 HD22 LEU 3 HD22 LEU 3 4.875 5.441 -3.281 22 HD23 LEU 3 HD23 LEU 3 5.132 4.091 -2.176 23 H ARG 4 H ARG 4 7.910 8.328 0.516 24 HA ARG 4 HA ARG 4 7.090 10.939 -0.531 25 HB2 ARG 4 HB2 ARG 4 9.164 11.773 0.421 26 HB3 ARG 4 HB3 ARG 4 8.236 10.905 1.636 27 HG2 ARG 4 HG2 ARG 4 9.675 8.916 1.206 28 HG3 ARG 4 HG3 ARG 4 10.667 9.930 0.158 29 HD2 ARG 4 HD2 ARG 4 10.118 10.431 3.075 30 HD3 ARG 4 HD3 ARG 4 11.594 9.729 2.421 31 HE ARG 4 HE ARG 4 11.125 12.212 1.186 32 HH11 ARG 4 HH11 ARG 4 11.995 10.876 4.298 33 HH12 ARG 4 HH12 ARG 4 12.935 12.244 4.778 34 HH21 ARG 4 HH21 ARG 4 12.366 14.039 1.808 35 HH22 ARG 4 HH22 ARG 4 13.149 14.061 3.349 36 H CYS 5 H CYS 5 8.639 12.062 -1.965 37 HA CYS 5 HA CYS 5 9.443 10.296 -4.087 38 HB2 CYS 5 HB2 CYS 5 8.341 12.586 -4.398 39 HB3 CYS 5 HB3 CYS 5 9.898 13.282 -3.969 40 H GLY 6 H GLY 6 11.526 9.960 -4.810 41 HA2 GLY 6 HA2 GLY 6 13.533 9.872 -2.790 42 HA3 GLY 6 HA3 GLY 6 13.711 9.432 -4.480 43 H CYS 7 H CYS 7 12.714 12.227 -5.080 44 HA CYS 7 HA CYS 7 15.200 13.392 -5.612 45 HB2 CYS 7 HB2 CYS 7 12.593 13.901 -6.326 46 HB3 CYS 7 HB3 CYS 7 12.980 15.289 -5.318 47 HA PRO 8 HA PRO 8 15.965 14.766 -1.345 48 HB2 PRO 8 HB2 PRO 8 18.539 15.654 -2.452 49 HB3 PRO 8 HB3 PRO 8 18.218 14.480 -1.171 50 HG2 PRO 8 HG2 PRO 8 19.125 13.734 -3.593 51 HG3 PRO 8 HG3 PRO 8 18.015 12.723 -2.648 52 HD2 PRO 8 HD2 PRO 8 17.431 14.514 -4.975 53 HD3 PRO 8 HD3 PRO 8 16.796 12.895 -4.600 54 H ASP 9 H ASP 9 15.805 16.526 -4.241 55 HA ASP 9 HA ASP 9 16.151 19.099 -2.854 56 HB2 ASP 9 HB2 ASP 9 16.305 18.349 -5.764 57 HB3 ASP 9 HB3 ASP 9 16.122 20.018 -5.247 58 H CYS 10 H CYS 10 13.704 17.045 -3.514 59 HA CYS 10 HA CYS 10 11.789 19.220 -3.662 60 HB2 CYS 10 HB2 CYS 10 12.400 18.606 -6.015 61 HB3 CYS 10 HB3 CYS 10 11.744 17.004 -5.707 62 H HIS 11 H HIS 11 9.695 18.638 -3.004 63 HA HIS 11 HA HIS 11 9.442 15.918 -1.936 64 HB2 HIS 11 HB2 HIS 11 8.159 16.729 -0.030 65 HB3 HIS 11 HB3 HIS 11 9.705 17.553 -0.076 66 HD2 HIS 11 HD2 HIS 11 9.474 20.311 -1.043 67 HE1 HIS 11 HE1 HIS 11 5.405 20.550 0.117 68 HE2 HIS 11 HE2 HIS 11 7.386 21.816 -0.773 69 H CYS 12 H CYS 12 8.011 14.836 -3.038 70 HA CYS 12 HA CYS 12 5.766 16.301 -4.249 71 HB2 CYS 12 HB2 CYS 12 6.907 13.754 -5.313 72 HB3 CYS 12 HB3 CYS 12 5.929 14.954 -6.148 73 H LYS 13 H LYS 13 3.834 15.066 -4.586 74 HA LYS 13 HA LYS 13 3.290 13.213 -2.448 75 HB2 LYS 13 HB2 LYS 13 0.980 13.219 -3.386 76 HB3 LYS 13 HB3 LYS 13 1.561 14.801 -2.897 77 HG2 LYS 13 HG2 LYS 13 1.758 15.544 -5.094 78 HG3 LYS 13 HG3 LYS 13 1.769 13.904 -5.747 79 HD2 LYS 13 HD2 LYS 13 -0.596 15.097 -4.332 80 HD3 LYS 13 HD3 LYS 13 -0.370 15.211 -6.081 81 HE2 LYS 13 HE2 LYS 13 -0.319 12.756 -6.219 82 HE3 LYS 13 HE3 LYS 13 -0.549 12.651 -4.477 83 HZ1 LYS 13 HZ1 LYS 13 -2.472 13.874 -6.372 84 HZ2 LYS 13 HZ2 LYS 13 -2.702 13.672 -4.712 85 HZ3 LYS 13 HZ3 LYS 13 -2.607 12.323 -5.722 86 H VAL 14 H VAL 14 3.791 11.141 -2.700 87 HA VAL 14 HA VAL 14 3.951 10.103 -5.413 88 HB VAL 14 HB VAL 14 4.998 8.903 -2.851 89 HG11 VAL 14 HG11 VAL 14 4.454 7.211 -4.522 90 HG12 VAL 14 HG12 VAL 14 6.199 7.361 -4.315 91 HG13 VAL 14 HG13 VAL 14 5.412 8.079 -5.721 92 HG21 VAL 14 HG21 VAL 14 6.421 10.310 -5.102 93 HG22 VAL 14 HG22 VAL 14 7.193 9.540 -3.715 94 HG23 VAL 14 HG23 VAL 14 6.158 10.949 -3.480 95 H ASP 15 H ASP 15 2.549 8.795 -6.189 96 HA ASP 15 HA ASP 15 0.382 7.782 -4.536 97 HB2 ASP 15 HB2 ASP 15 0.033 8.939 -6.757 98 HB3 ASP 15 HB3 ASP 15 0.792 7.549 -7.508 99 HA PRO 16 HA PRO 16 2.535 3.896 -4.049 100 HB2 PRO 16 HB2 PRO 16 -0.236 2.907 -3.603 101 HB3 PRO 16 HB3 PRO 16 1.204 2.712 -2.597 102 HG2 PRO 16 HG2 PRO 16 -0.704 4.428 -1.902 103 HG3 PRO 16 HG3 PRO 16 1.008 4.831 -1.673 104 HD2 PRO 16 HD2 PRO 16 -0.901 5.782 -3.766 105 HD3 PRO 16 HD3 PRO 16 0.390 6.664 -2.922 106 H GLU 17 H GLU 17 -0.088 4.439 -6.279 107 HA GLU 17 HA GLU 17 0.444 1.870 -7.603 108 HB2 GLU 17 HB2 GLU 17 -1.879 2.327 -7.068 109 HB3 GLU 17 HB3 GLU 17 -1.809 3.847 -7.946 110 HG2 GLU 17 HG2 GLU 17 -1.423 2.616 -10.024 111 HG3 GLU 17 HG3 GLU 17 -1.522 1.098 -9.133 112 H ARG 18 H ARG 18 1.051 5.209 -7.880 113 HA ARG 18 HA ARG 18 1.765 4.875 -10.723 114 HB2 ARG 18 HB2 ARG 18 0.787 7.380 -9.341 115 HB3 ARG 18 HB3 ARG 18 1.270 7.264 -11.023 116 HG2 ARG 18 HG2 ARG 18 -0.609 6.128 -11.643 117 HG3 ARG 18 HG3 ARG 18 -0.853 5.436 -10.039 118 HD2 ARG 18 HD2 ARG 18 -1.609 7.565 -9.194 119 HD3 ARG 18 HD3 ARG 18 -1.248 8.340 -10.735 120 HE ARG 18 HE ARG 18 -3.011 6.973 -11.717 121 HH11 ARG 18 HH11 ARG 18 -3.033 7.311 -8.196 122 HH12 ARG 18 HH12 ARG 18 -4.731 7.008 -8.081 123 HH21 ARG 18 HH21 ARG 18 -5.258 6.594 -11.518 124 HH22 ARG 18 HH22 ARG 18 -5.992 6.612 -9.955 125 H VAL 19 H VAL 19 3.354 4.369 -8.402 126 HA VAL 19 HA VAL 19 5.304 6.526 -8.368 127 HB VAL 19 HB VAL 19 4.792 5.746 -6.182 128 HG11 VAL 19 HG11 VAL 19 5.044 3.388 -5.503 129 HG12 VAL 19 HG12 VAL 19 5.326 2.959 -7.192 130 HG13 VAL 19 HG13 VAL 19 3.770 3.632 -6.698 131 HG21 VAL 19 HG21 VAL 19 6.936 4.837 -5.379 132 HG22 VAL 19 HG22 VAL 19 7.144 6.188 -6.493 133 HG23 VAL 19 HG23 VAL 19 7.413 4.536 -7.050 134 H PHE 20 H PHE 20 7.150 6.462 -9.417 135 HA PHE 20 HA PHE 20 7.875 4.058 -10.897 136 HB2 PHE 20 HB2 PHE 20 8.700 6.940 -11.049 137 HB3 PHE 20 HB3 PHE 20 9.694 5.697 -11.791 138 HD1 PHE 20 HD1 PHE 20 6.601 7.570 -11.966 139 HD2 PHE 20 HD2 PHE 20 8.847 4.416 -13.698 140 HE1 PHE 20 HE1 PHE 20 5.160 7.651 -13.958 141 HE2 PHE 20 HE2 PHE 20 7.416 4.484 -15.697 142 HZ PHE 20 HZ PHE 20 5.568 6.104 -15.830 143 H ASN 21 H ASN 21 9.606 2.837 -10.421 144 HA ASN 21 HA ASN 21 11.165 3.642 -8.070 145 HB2 ASN 21 HB2 ASN 21 9.986 1.519 -7.785 146 HB3 ASN 21 HB3 ASN 21 10.735 0.885 -9.246 147 HD21 ASN 21 HD21 ASN 21 12.882 0.231 -9.192 148 HD22 ASN 21 HD22 ASN 21 13.754 0.020 -7.715 149 H HIS 22 H HIS 22 13.227 4.046 -8.235 150 HA HIS 22 HA HIS 22 14.818 2.939 -10.387 151 HB2 HIS 22 HB2 HIS 22 13.993 4.967 -11.451 152 HB3 HIS 22 HB3 HIS 22 14.403 5.929 -10.039 153 HD2 HIS 22 HD2 HIS 22 17.155 6.508 -9.762 154 HE1 HIS 22 HE1 HIS 22 18.192 5.191 -13.657 155 HE2 HIS 22 HE2 HIS 22 19.027 6.234 -11.536 156 H ASP 23 H ASP 23 16.856 2.534 -9.684 157 HA ASP 23 HA ASP 23 18.648 2.359 -8.296 158 HB2 ASP 23 HB2 ASP 23 18.842 4.809 -8.635 159 HB3 ASP 23 HB3 ASP 23 17.746 5.084 -7.291 160 H GLY 24 H GLY 24 15.886 1.531 -7.537 161 HA2 GLY 24 HA2 GLY 24 14.975 0.345 -5.776 162 HA3 GLY 24 HA3 GLY 24 16.448 0.653 -4.868 163 H GLU 25 H GLU 25 15.144 3.459 -6.119 164 HA GLU 25 HA GLU 25 13.985 4.155 -3.514 165 HB2 GLU 25 HB2 GLU 25 16.088 5.330 -4.380 166 HB3 GLU 25 HB3 GLU 25 15.043 6.024 -5.609 167 HG2 GLU 25 HG2 GLU 25 13.829 7.262 -4.039 168 HG3 GLU 25 HG3 GLU 25 14.519 6.364 -2.686 169 H ALA 26 H ALA 26 12.138 5.551 -3.567 170 HA ALA 26 HA ALA 26 10.413 4.994 -5.881 171 HB1 ALA 26 HB1 ALA 26 8.539 5.435 -4.364 172 HB2 ALA 26 HB2 ALA 26 9.676 5.808 -3.069 173 HB3 ALA 26 HB3 ALA 26 9.598 4.176 -3.732 174 H TYR 27 H TYR 27 9.333 6.612 -6.965 175 HA TYR 27 HA TYR 27 9.850 9.387 -6.134 176 HB2 TYR 27 HB2 TYR 27 10.201 8.335 -8.945 177 HB3 TYR 27 HB3 TYR 27 10.382 10.007 -8.433 178 HD1 TYR 27 HD1 TYR 27 11.935 6.704 -8.554 179 HD2 TYR 27 HD2 TYR 27 12.344 10.690 -7.119 180 HE1 TYR 27 HE1 TYR 27 14.314 6.311 -8.144 181 HE2 TYR 27 HE2 TYR 27 14.733 10.295 -6.712 182 HH TYR 27 HH TYR 27 16.171 8.198 -6.227 183 H CYS 28 H CYS 28 8.384 10.945 -7.113 184 HA CYS 28 HA CYS 28 5.701 10.062 -7.154 185 HB2 CYS 28 HB2 CYS 28 5.147 12.354 -7.780 186 HB3 CYS 28 HB3 CYS 28 6.367 12.344 -6.513 187 H SER 29 H SER 29 7.965 10.933 -9.680 188 HA SER 29 HA SER 29 6.435 9.433 -11.612 189 HB2 SER 29 HB2 SER 29 7.042 12.372 -12.003 190 HB3 SER 29 HB3 SER 29 6.387 11.293 -13.236 191 HG SER 29 HG SER 29 4.939 11.118 -10.977 192 H GLN 30 H GLN 30 7.704 9.769 -13.848 193 HA GLN 30 HA GLN 30 10.244 8.643 -13.361 194 HB2 GLN 30 HB2 GLN 30 10.477 8.429 -15.716 195 HB3 GLN 30 HB3 GLN 30 8.809 8.083 -15.307 196 HG2 GLN 30 HG2 GLN 30 9.860 10.634 -16.495 197 HG3 GLN 30 HG3 GLN 30 8.983 9.374 -17.360 198 HE21 GLN 30 HE21 GLN 30 8.775 12.165 -15.425 199 HE22 GLN 30 HE22 GLN 30 7.049 12.264 -15.335 200 H ALA 31 H ALA 31 9.263 11.879 -13.522 201 HA ALA 31 HA ALA 31 11.544 13.061 -14.704 202 HB1 ALA 31 HB1 ALA 31 9.654 14.226 -12.657 203 HB2 ALA 31 HB2 ALA 31 9.423 14.262 -14.405 204 HB3 ALA 31 HB3 ALA 31 10.770 15.137 -13.674 205 H CYS 32 H CYS 32 10.667 12.899 -11.250 206 HA CYS 32 HA CYS 32 13.268 13.633 -10.398 207 HB2 CYS 32 HB2 CYS 32 11.058 12.257 -8.856 208 HB3 CYS 32 HB3 CYS 32 12.471 13.035 -8.154 209 H ALA 33 H ALA 33 11.802 10.688 -11.310 210 HA ALA 33 HA ALA 33 13.320 8.839 -9.829 211 HB1 ALA 33 HB1 ALA 33 11.209 8.297 -10.995 212 HB2 ALA 33 HB2 ALA 33 12.512 7.167 -11.356 213 HB3 ALA 33 HB3 ALA 33 12.068 8.402 -12.533 214 H GLU 34 H GLU 34 13.692 9.911 -13.178 215 HA GLU 34 HA GLU 34 16.282 8.598 -13.267 216 HB2 GLU 34 HB2 GLU 34 14.709 9.972 -15.446 217 HB3 GLU 34 HB3 GLU 34 16.233 9.122 -15.680 218 HG2 GLU 34 HG2 GLU 34 15.069 7.083 -14.715 219 HG3 GLU 34 HG3 GLU 34 13.568 7.985 -14.903 220 H GLN 35 H GLN 35 15.568 11.150 -11.812 221 HA GLN 35 HA GLN 35 16.660 13.006 -11.144 222 HB2 GLN 35 HB2 GLN 35 18.941 11.929 -12.812 223 HB3 GLN 35 HB3 GLN 35 19.067 13.200 -11.601 224 HG2 GLN 35 HG2 GLN 35 18.339 11.594 -9.880 225 HG3 GLN 35 HG3 GLN 35 18.304 10.330 -11.106 226 HE21 GLN 35 HE21 GLN 35 19.860 10.515 -8.678 227 HE22 GLN 35 HE22 GLN 35 21.522 10.413 -9.152 228 H HIS 36 H HIS 36 15.072 12.952 -13.546 229 HA HIS 36 HA HIS 36 14.317 14.358 -15.132 230 HB2 HIS 36 HB2 HIS 36 16.137 16.431 -13.876 231 HB3 HIS 36 HB3 HIS 36 14.714 16.739 -14.865 232 HD1 HIS 36 HD1 HIS 36 12.583 17.120 -13.584 233 HD2 HIS 36 HD2 HIS 36 15.397 15.026 -11.349 234 HE1 HIS 36 HE1 HIS 36 11.589 16.868 -11.292 235 HA PRO 37 HA PRO 37 18.075 13.671 -17.714 236 HB2 PRO 37 HB2 PRO 37 16.932 12.022 -19.515 237 HB3 PRO 37 HB3 PRO 37 17.536 11.443 -17.959 238 HG2 PRO 37 HG2 PRO 37 14.735 12.070 -18.788 239 HG3 PRO 37 HG3 PRO 37 15.340 10.711 -17.822 240 HD2 PRO 37 HD2 PRO 37 14.167 12.935 -16.746 241 HD3 PRO 37 HD3 PRO 37 15.361 11.941 -15.886 242 H ASN 38 H ASN 38 14.861 14.785 -18.339 243 HA ASN 38 HA ASN 38 15.784 16.043 -20.849 244 HB2 ASN 38 HB2 ASN 38 13.814 14.488 -20.983 245 HB3 ASN 38 HB3 ASN 38 12.931 15.619 -19.961 246 HD21 ASN 38 HD21 ASN 38 14.582 15.244 -22.997 247 HD22 ASN 38 HD22 ASN 38 13.750 16.511 -23.823 248 H GLY 39 H GLY 39 15.241 16.601 -17.651 249 HA2 GLY 39 HA2 GLY 39 15.414 18.602 -16.476 250 HA3 GLY 39 HA3 GLY 39 15.326 19.472 -18.007 251 H GLU 40 H GLU 40 13.045 17.026 -17.265 252 HA GLU 40 HA GLU 40 10.902 18.927 -17.483 253 HB2 GLU 40 HB2 GLU 40 9.438 16.948 -17.476 254 HB3 GLU 40 HB3 GLU 40 10.723 16.802 -18.662 255 HG2 GLU 40 HG2 GLU 40 10.976 15.554 -15.944 256 HG3 GLU 40 HG3 GLU 40 10.099 14.749 -17.241 257 HA PRO 41 HA PRO 41 10.451 19.243 -13.057 258 HB2 PRO 41 HB2 PRO 41 8.176 20.712 -13.035 259 HB3 PRO 41 HB3 PRO 41 9.746 21.415 -13.444 260 HG2 PRO 41 HG2 PRO 41 7.544 20.523 -15.261 261 HG3 PRO 41 HG3 PRO 41 8.563 21.970 -15.361 262 HD2 PRO 41 HD2 PRO 41 8.991 19.728 -16.854 263 HD3 PRO 41 HD3 PRO 41 10.289 20.835 -16.363 264 H CYS 42 H CYS 42 9.196 18.224 -11.488 265 HA CYS 42 HA CYS 42 7.565 16.050 -12.437 266 HB2 CYS 42 HB2 CYS 42 7.527 15.461 -10.012 267 HB3 CYS 42 HB3 CYS 42 9.151 15.675 -10.656 268 HA PRO 43 HA PRO 43 3.589 17.884 -11.655 269 HB2 PRO 43 HB2 PRO 43 2.095 15.854 -10.742 270 HB3 PRO 43 HB3 PRO 43 2.731 15.865 -12.392 271 HG2 PRO 43 HG2 PRO 43 3.799 14.463 -9.967 272 HG3 PRO 43 HG3 PRO 43 3.562 13.830 -11.606 273 HD2 PRO 43 HD2 PRO 43 5.974 14.667 -10.709 274 HD3 PRO 43 HD3 PRO 43 5.482 14.814 -12.403 275 H ALA 44 H ALA 44 5.569 17.822 -9.271 276 HA ALA 44 HA ALA 44 3.816 17.656 -6.991 277 HB1 ALA 44 HB1 ALA 44 5.761 18.382 -5.703 278 HB2 ALA 44 HB2 ALA 44 6.642 18.691 -7.199 279 HB3 ALA 44 HB3 ALA 44 6.171 17.047 -6.777 280 HA PRO 45 HA PRO 45 2.231 21.788 -7.343 281 HB2 PRO 45 HB2 PRO 45 1.508 22.093 -4.697 282 HB3 PRO 45 HB3 PRO 45 0.529 21.253 -5.903 283 HG2 PRO 45 HG2 PRO 45 2.387 20.126 -3.851 284 HG3 PRO 45 HG3 PRO 45 0.801 19.531 -4.374 285 HD2 PRO 45 HD2 PRO 45 3.088 18.405 -5.216 286 HD3 PRO 45 HD3 PRO 45 1.669 18.532 -6.274 287 H ASP 46 H ASP 46 4.204 21.039 -4.476 288 HA ASP 46 HA ASP 46 5.277 23.765 -4.549 289 HB2 ASP 46 HB2 ASP 46 4.321 22.834 -2.401 290 HB3 ASP 46 HB3 ASP 46 5.661 21.694 -2.376 291 H CYS 47 H CYS 47 6.000 21.822 -6.491 292 HA CYS 47 HA CYS 47 8.338 20.438 -6.182 293 HB2 CYS 47 HB2 CYS 47 7.177 20.290 -8.247 294 HB3 CYS 47 HB3 CYS 47 7.321 22.021 -8.527 295 H HIS 48 H HIS 48 10.510 20.864 -6.534 296 HA HIS 48 HA HIS 48 11.348 23.667 -6.527 297 HB2 HIS 48 HB2 HIS 48 11.189 22.899 -4.163 298 HB3 HIS 48 HB3 HIS 48 12.322 21.608 -4.527 299 HD1 HIS 48 HD1 HIS 48 14.296 22.283 -3.162 300 HD2 HIS 48 HD2 HIS 48 12.827 25.415 -5.467 301 HE1 HIS 48 HE1 HIS 48 15.955 24.156 -2.900 302 HE2 HIS 48 HE2 HIS 48 14.974 26.078 -4.193 303 H CYS 49 H CYS 49 11.420 21.326 -8.473 304 HA CYS 49 HA CYS 49 14.286 21.502 -8.985 305 HB2 CYS 49 HB2 CYS 49 14.408 19.074 -9.425 306 HB3 CYS 49 HB3 CYS 49 14.092 19.474 -7.738 307 H GLU 50 H GLU 50 14.619 22.113 -10.965 308 HA GLU 50 HA GLU 50 13.195 20.752 -13.135 309 HB2 GLU 50 HB2 GLU 50 12.991 22.751 -14.437 310 HB3 GLU 50 HB3 GLU 50 12.376 23.158 -12.845 311 HG2 GLU 50 HG2 GLU 50 15.121 23.840 -13.885 312 HG3 GLU 50 HG3 GLU 50 13.750 24.941 -13.817 313 H ARG 51 H ARG 51 15.874 21.269 -11.482 314 HA ARG 51 HA ARG 51 17.784 21.415 -13.611 315 HB2 ARG 51 HB2 ARG 51 19.404 21.668 -11.772 316 HB3 ARG 51 HB3 ARG 51 18.150 22.894 -11.721 317 HG2 ARG 51 HG2 ARG 51 17.000 21.543 -9.970 318 HG3 ARG 51 HG3 ARG 51 18.397 20.464 -9.968 319 HD2 ARG 51 HD2 ARG 51 19.837 22.386 -9.417 320 HD3 ARG 51 HD3 ARG 51 18.411 23.411 -9.338 321 HE ARG 51 HE ARG 51 18.664 21.073 -7.575 322 HH11 ARG 51 HH11 ARG 51 18.278 24.542 -7.998 323 HH12 ARG 51 HH12 ARG 51 18.095 24.859 -6.308 324 HH21 ARG 51 HH21 ARG 51 18.426 21.514 -5.297 325 HH22 ARG 51 HH22 ARG 51 18.175 23.146 -4.784 326 H SER 52 H SER 52 19.627 19.953 -13.362 327 HA SER 52 HA SER 52 20.618 18.014 -13.082 328 HB2 SER 52 HB2 SER 52 18.166 17.066 -11.599 329 HB3 SER 52 HB3 SER 52 19.664 16.149 -11.753 330 HG SER 52 HG SER 52 19.047 18.275 -10.112 Start of MODEL 19 1 HA ASN 1 HA ASN 1 5.592 6.525 7.096 2 HB2 ASN 1 HB2 ASN 1 7.074 4.576 6.758 3 HB3 ASN 1 HB3 ASN 1 6.426 4.369 5.135 4 HD21 ASN 1 HD21 ASN 1 8.409 4.659 4.148 5 HD22 ASN 1 HD22 ASN 1 9.197 6.195 4.076 6 H GLU 2 H GLU 2 5.197 8.289 5.948 7 HA GLU 2 HA GLU 2 3.256 8.320 3.887 8 HB2 GLU 2 HB2 GLU 2 3.712 10.219 5.446 9 HB3 GLU 2 HB3 GLU 2 5.242 10.479 4.623 10 HG2 GLU 2 HG2 GLU 2 4.059 10.982 2.554 11 HG3 GLU 2 HG3 GLU 2 2.518 10.691 3.358 12 H LEU 3 H LEU 3 3.529 7.834 1.835 13 HA LEU 3 HA LEU 3 6.136 7.273 0.818 14 HB2 LEU 3 HB2 LEU 3 4.063 5.975 0.264 15 HB3 LEU 3 HB3 LEU 3 3.522 7.347 -0.681 16 HG LEU 3 HG LEU 3 5.452 7.087 -2.177 17 HD11 LEU 3 HD11 LEU 3 6.842 5.060 -2.003 18 HD12 LEU 3 HD12 LEU 3 6.087 4.703 -0.448 19 HD13 LEU 3 HD13 LEU 3 7.063 6.159 -0.642 20 HD21 LEU 3 HD21 LEU 3 3.356 5.955 -2.700 21 HD22 LEU 3 HD22 LEU 3 3.876 4.549 -1.770 22 HD23 LEU 3 HD23 LEU 3 4.743 5.007 -3.237 23 H ARG 4 H ARG 4 7.418 8.825 0.249 24 HA ARG 4 HA ARG 4 6.321 11.124 -1.194 25 HB2 ARG 4 HB2 ARG 4 8.332 12.396 -0.217 26 HB3 ARG 4 HB3 ARG 4 6.983 12.054 0.852 27 HG2 ARG 4 HG2 ARG 4 8.934 11.631 2.100 28 HG3 ARG 4 HG3 ARG 4 8.290 10.050 1.663 29 HD2 ARG 4 HD2 ARG 4 9.886 10.071 -0.285 30 HD3 ARG 4 HD3 ARG 4 10.620 11.503 0.433 31 HE ARG 4 HE ARG 4 10.594 9.642 2.438 32 HH11 ARG 4 HH11 ARG 4 11.925 9.826 -0.799 33 HH12 ARG 4 HH12 ARG 4 13.240 8.737 -0.467 34 HH21 ARG 4 HH21 ARG 4 12.335 8.209 2.885 35 HH22 ARG 4 HH22 ARG 4 13.469 7.825 1.633 36 H CYS 5 H CYS 5 8.108 12.283 -2.461 37 HA CYS 5 HA CYS 5 9.021 10.396 -4.371 38 HB2 CYS 5 HB2 CYS 5 8.192 12.753 -4.796 39 HB3 CYS 5 HB3 CYS 5 9.773 13.305 -4.260 40 H GLY 6 H GLY 6 11.161 10.079 -5.113 41 HA2 GLY 6 HA2 GLY 6 13.065 9.707 -3.013 42 HA3 GLY 6 HA3 GLY 6 13.295 9.376 -4.724 43 H CYS 7 H CYS 7 12.547 12.139 -5.409 44 HA CYS 7 HA CYS 7 15.078 13.276 -5.538 45 HB2 CYS 7 HB2 CYS 7 12.448 13.957 -6.376 46 HB3 CYS 7 HB3 CYS 7 13.114 15.359 -5.552 47 HA PRO 8 HA PRO 8 15.388 14.358 -1.188 48 HB2 PRO 8 HB2 PRO 8 17.890 15.485 -1.395 49 HB3 PRO 8 HB3 PRO 8 17.583 13.758 -1.186 50 HG2 PRO 8 HG2 PRO 8 18.214 15.286 -3.668 51 HG3 PRO 8 HG3 PRO 8 18.759 13.674 -3.173 52 HD2 PRO 8 HD2 PRO 8 16.805 14.050 -4.998 53 HD3 PRO 8 HD3 PRO 8 16.806 12.658 -3.892 54 H ASP 9 H ASP 9 15.836 16.578 -3.880 55 HA ASP 9 HA ASP 9 15.534 18.846 -2.043 56 HB2 ASP 9 HB2 ASP 9 17.371 18.773 -3.830 57 HB3 ASP 9 HB3 ASP 9 16.086 19.042 -5.001 58 H CYS 10 H CYS 10 13.498 16.838 -3.536 59 HA CYS 10 HA CYS 10 11.517 18.946 -3.873 60 HB2 CYS 10 HB2 CYS 10 12.618 18.237 -6.093 61 HB3 CYS 10 HB3 CYS 10 11.695 16.750 -5.907 62 H HIS 11 H HIS 11 9.747 18.460 -2.771 63 HA HIS 11 HA HIS 11 9.261 15.658 -2.053 64 HB2 HIS 11 HB2 HIS 11 8.261 18.220 -0.781 65 HB3 HIS 11 HB3 HIS 11 7.762 16.609 -0.281 66 HD2 HIS 11 HD2 HIS 11 10.996 18.854 -0.177 67 HE1 HIS 11 HE1 HIS 11 11.417 15.684 2.611 68 HE2 HIS 11 HE2 HIS 11 12.255 17.941 1.891 69 H CYS 12 H CYS 12 8.150 14.884 -3.748 70 HA CYS 12 HA CYS 12 5.875 16.391 -4.784 71 HB2 CYS 12 HB2 CYS 12 6.956 13.817 -5.875 72 HB3 CYS 12 HB3 CYS 12 6.042 15.065 -6.710 73 H LYS 13 H LYS 13 3.992 14.979 -5.497 74 HA LYS 13 HA LYS 13 3.098 13.427 -3.218 75 HB2 LYS 13 HB2 LYS 13 1.803 14.801 -5.498 76 HB3 LYS 13 HB3 LYS 13 1.000 13.357 -4.906 77 HG2 LYS 13 HG2 LYS 13 1.807 15.174 -2.777 78 HG3 LYS 13 HG3 LYS 13 0.679 15.894 -3.927 79 HD2 LYS 13 HD2 LYS 13 -0.499 14.812 -2.058 80 HD3 LYS 13 HD3 LYS 13 -0.871 14.037 -3.597 81 HE2 LYS 13 HE2 LYS 13 0.759 12.265 -3.083 82 HE3 LYS 13 HE3 LYS 13 1.099 13.042 -1.534 83 HZ1 LYS 13 HZ1 LYS 13 -1.487 11.879 -2.403 84 HZ2 LYS 13 HZ2 LYS 13 -1.249 12.702 -0.950 85 HZ3 LYS 13 HZ3 LYS 13 -0.443 11.245 -1.234 86 H VAL 14 H VAL 14 3.472 11.348 -3.159 87 HA VAL 14 HA VAL 14 3.566 9.874 -5.696 88 HB VAL 14 HB VAL 14 4.922 9.142 -3.091 89 HG11 VAL 14 HG11 VAL 14 6.072 7.451 -4.433 90 HG12 VAL 14 HG12 VAL 14 5.127 7.927 -5.843 91 HG13 VAL 14 HG13 VAL 14 4.327 7.204 -4.447 92 HG21 VAL 14 HG21 VAL 14 6.078 10.254 -5.637 93 HG22 VAL 14 HG22 VAL 14 7.000 9.717 -4.232 94 HG23 VAL 14 HG23 VAL 14 5.927 11.113 -4.105 95 H ASP 15 H ASP 15 2.289 8.173 -5.955 96 HA ASP 15 HA ASP 15 0.505 7.429 -3.735 97 HB2 ASP 15 HB2 ASP 15 -0.639 8.658 -5.505 98 HB3 ASP 15 HB3 ASP 15 -0.058 7.510 -6.699 99 HA PRO 16 HA PRO 16 2.177 3.326 -3.922 100 HB2 PRO 16 HB2 PRO 16 -0.673 2.503 -3.585 101 HB3 PRO 16 HB3 PRO 16 0.757 1.989 -2.683 102 HG2 PRO 16 HG2 PRO 16 -0.937 3.733 -1.620 103 HG3 PRO 16 HG3 PRO 16 0.813 3.926 -1.405 104 HD2 PRO 16 HD2 PRO 16 -1.058 5.426 -3.182 105 HD3 PRO 16 HD3 PRO 16 0.377 5.998 -2.307 106 H GLU 17 H GLU 17 -0.634 4.137 -5.892 107 HA GLU 17 HA GLU 17 -0.103 1.872 -7.659 108 HB2 GLU 17 HB2 GLU 17 -2.421 2.272 -7.180 109 HB3 GLU 17 HB3 GLU 17 -2.270 3.968 -7.607 110 HG2 GLU 17 HG2 GLU 17 -1.844 3.323 -9.937 111 HG3 GLU 17 HG3 GLU 17 -2.066 1.630 -9.490 112 H ARG 18 H ARG 18 0.343 5.287 -7.446 113 HA ARG 18 HA ARG 18 1.256 5.367 -10.247 114 HB2 ARG 18 HB2 ARG 18 0.228 7.643 -8.559 115 HB3 ARG 18 HB3 ARG 18 0.760 7.752 -10.225 116 HG2 ARG 18 HG2 ARG 18 -1.058 6.417 -10.977 117 HG3 ARG 18 HG3 ARG 18 -1.536 6.049 -9.315 118 HD2 ARG 18 HD2 ARG 18 -2.001 8.379 -8.919 119 HD3 ARG 18 HD3 ARG 18 -1.492 8.778 -10.558 120 HE ARG 18 HE ARG 18 -3.411 7.112 -11.146 121 HH11 ARG 18 HH11 ARG 18 -3.410 9.530 -8.594 122 HH12 ARG 18 HH12 ARG 18 -5.125 9.744 -8.615 123 HH21 ARG 18 HH21 ARG 18 -5.690 7.413 -11.194 124 HH22 ARG 18 HH22 ARG 18 -6.427 8.531 -10.097 125 H VAL 19 H VAL 19 3.042 4.392 -8.824 126 HA VAL 19 HA VAL 19 4.896 6.563 -8.156 127 HB VAL 19 HB VAL 19 4.369 5.574 -6.068 128 HG11 VAL 19 HG11 VAL 19 4.540 3.151 -5.639 129 HG12 VAL 19 HG12 VAL 19 4.808 2.891 -7.366 130 HG13 VAL 19 HG13 VAL 19 3.276 3.566 -6.798 131 HG21 VAL 19 HG21 VAL 19 6.945 4.374 -7.055 132 HG22 VAL 19 HG22 VAL 19 6.467 4.512 -5.363 133 HG23 VAL 19 HG23 VAL 19 6.727 5.967 -6.325 134 H PHE 20 H PHE 20 6.870 6.487 -9.040 135 HA PHE 20 HA PHE 20 7.512 4.209 -10.767 136 HB2 PHE 20 HB2 PHE 20 8.391 7.086 -10.738 137 HB3 PHE 20 HB3 PHE 20 9.304 5.869 -11.615 138 HD1 PHE 20 HD1 PHE 20 6.366 7.943 -11.557 139 HD2 PHE 20 HD2 PHE 20 8.239 4.688 -13.528 140 HE1 PHE 20 HE1 PHE 20 4.833 8.229 -13.462 141 HE2 PHE 20 HE2 PHE 20 6.722 4.963 -15.442 142 HZ PHE 20 HZ PHE 20 5.013 6.739 -15.410 143 H ASN 21 H ASN 21 8.786 2.755 -9.815 144 HA ASN 21 HA ASN 21 10.509 3.566 -7.625 145 HB2 ASN 21 HB2 ASN 21 10.915 1.190 -7.279 146 HB3 ASN 21 HB3 ASN 21 9.187 1.479 -7.439 147 HD21 ASN 21 HD21 ASN 21 11.993 0.013 -8.846 148 HD22 ASN 21 HD22 ASN 21 11.162 -0.869 -10.080 149 H HIS 22 H HIS 22 12.672 3.677 -7.675 150 HA HIS 22 HA HIS 22 14.220 2.449 -9.736 151 HB2 HIS 22 HB2 HIS 22 13.442 4.428 -10.980 152 HB3 HIS 22 HB3 HIS 22 14.055 5.478 -9.711 153 HD2 HIS 22 HD2 HIS 22 16.686 6.184 -9.980 154 HE1 HIS 22 HE1 HIS 22 17.643 3.516 -13.130 155 HE2 HIS 22 HE2 HIS 22 18.354 5.558 -11.852 156 H ASP 23 H ASP 23 16.263 2.122 -9.089 157 HA ASP 23 HA ASP 23 18.092 2.010 -7.761 158 HB2 ASP 23 HB2 ASP 23 18.158 4.475 -8.376 159 HB3 ASP 23 HB3 ASP 23 17.399 4.806 -6.825 160 H GLY 24 H GLY 24 15.295 1.453 -6.725 161 HA2 GLY 24 HA2 GLY 24 14.733 0.234 -4.816 162 HA3 GLY 24 HA3 GLY 24 16.156 0.873 -4.014 163 H GLU 25 H GLU 25 14.535 3.415 -5.436 164 HA GLU 25 HA GLU 25 13.004 3.878 -2.978 165 HB2 GLU 25 HB2 GLU 25 15.103 5.243 -3.172 166 HB3 GLU 25 HB3 GLU 25 14.413 5.998 -4.599 167 HG2 GLU 25 HG2 GLU 25 12.779 7.112 -3.378 168 HG3 GLU 25 HG3 GLU 25 12.959 6.046 -1.987 169 H ALA 26 H ALA 26 11.273 5.534 -3.278 170 HA ALA 26 HA ALA 26 9.801 4.900 -5.726 171 HB1 ALA 26 HB1 ALA 26 8.708 4.303 -3.648 172 HB2 ALA 26 HB2 ALA 26 7.823 5.610 -4.437 173 HB3 ALA 26 HB3 ALA 26 8.869 5.957 -3.061 174 H TYR 27 H TYR 27 8.917 6.491 -7.020 175 HA TYR 27 HA TYR 27 9.524 9.289 -6.357 176 HB2 TYR 27 HB2 TYR 27 9.980 7.956 -9.033 177 HB3 TYR 27 HB3 TYR 27 10.118 9.680 -8.728 178 HD1 TYR 27 HD1 TYR 27 11.700 6.414 -8.336 179 HD2 TYR 27 HD2 TYR 27 12.016 10.564 -7.471 180 HE1 TYR 27 HE1 TYR 27 14.082 6.120 -7.799 181 HE2 TYR 27 HE2 TYR 27 14.394 10.278 -6.941 182 HH TYR 27 HH TYR 27 15.897 8.451 -6.189 183 H CYS 28 H CYS 28 8.174 10.818 -7.536 184 HA CYS 28 HA CYS 28 5.452 9.930 -7.714 185 HB2 CYS 28 HB2 CYS 28 4.993 12.268 -8.295 186 HB3 CYS 28 HB3 CYS 28 6.055 12.161 -6.892 187 H SER 29 H SER 29 7.903 11.019 -9.975 188 HA SER 29 HA SER 29 6.413 9.815 -12.173 189 HB2 SER 29 HB2 SER 29 5.882 12.234 -12.170 190 HB3 SER 29 HB3 SER 29 7.602 12.602 -12.223 191 HG SER 29 HG SER 29 6.033 12.250 -14.266 192 H GLN 30 H GLN 30 7.825 9.709 -14.131 193 HA GLN 30 HA GLN 30 10.238 8.417 -13.525 194 HB2 GLN 30 HB2 GLN 30 10.602 8.352 -15.939 195 HB3 GLN 30 HB3 GLN 30 8.948 7.916 -15.538 196 HG2 GLN 30 HG2 GLN 30 9.128 10.731 -15.991 197 HG3 GLN 30 HG3 GLN 30 9.817 9.856 -17.360 198 HE21 GLN 30 HE21 GLN 30 6.960 10.623 -15.575 199 HE22 GLN 30 HE22 GLN 30 5.840 9.883 -16.660 200 H ALA 31 H ALA 31 9.458 11.743 -14.026 201 HA ALA 31 HA ALA 31 11.858 12.770 -14.998 202 HB1 ALA 31 HB1 ALA 31 9.801 14.091 -14.806 203 HB2 ALA 31 HB2 ALA 31 11.159 14.900 -14.023 204 HB3 ALA 31 HB3 ALA 31 9.950 14.066 -13.049 205 H CYS 32 H CYS 32 10.827 12.684 -11.573 206 HA CYS 32 HA CYS 32 13.401 13.317 -10.595 207 HB2 CYS 32 HB2 CYS 32 11.087 12.004 -9.146 208 HB3 CYS 32 HB3 CYS 32 12.466 12.789 -8.387 209 H ALA 33 H ALA 33 11.761 10.346 -11.350 210 HA ALA 33 HA ALA 33 13.353 8.529 -9.906 211 HB1 ALA 33 HB1 ALA 33 12.422 6.810 -11.327 212 HB2 ALA 33 HB2 ALA 33 11.915 8.015 -12.507 213 HB3 ALA 33 HB3 ALA 33 11.162 7.974 -10.912 214 H GLU 34 H GLU 34 13.569 9.661 -13.230 215 HA GLU 34 HA GLU 34 15.969 8.152 -13.781 216 HB2 GLU 34 HB2 GLU 34 14.526 10.275 -15.375 217 HB3 GLU 34 HB3 GLU 34 15.904 9.355 -15.960 218 HG2 GLU 34 HG2 GLU 34 13.255 8.183 -15.144 219 HG3 GLU 34 HG3 GLU 34 13.756 8.516 -16.800 220 H GLN 35 H GLN 35 15.512 10.690 -11.892 221 HA GLN 35 HA GLN 35 16.763 12.344 -11.030 222 HB2 GLN 35 HB2 GLN 35 18.951 10.856 -12.474 223 HB3 GLN 35 HB3 GLN 35 19.259 12.253 -11.450 224 HG2 GLN 35 HG2 GLN 35 18.313 11.089 -9.540 225 HG3 GLN 35 HG3 GLN 35 17.942 9.698 -10.558 226 HE21 GLN 35 HE21 GLN 35 19.203 8.361 -9.279 227 HE22 GLN 35 HE22 GLN 35 20.928 8.400 -9.327 228 H HIS 36 H HIS 36 15.489 12.549 -13.668 229 HA HIS 36 HA HIS 36 15.151 14.067 -15.306 230 HB2 HIS 36 HB2 HIS 36 16.850 15.940 -13.637 231 HB3 HIS 36 HB3 HIS 36 15.635 16.390 -14.828 232 HD1 HIS 36 HD1 HIS 36 13.367 16.903 -13.874 233 HD2 HIS 36 HD2 HIS 36 15.605 14.449 -11.374 234 HE1 HIS 36 HE1 HIS 36 11.985 16.585 -11.804 235 HA PRO 37 HA PRO 37 19.203 13.337 -17.326 236 HB2 PRO 37 HB2 PRO 37 18.268 11.963 -19.436 237 HB3 PRO 37 HB3 PRO 37 18.543 11.189 -17.871 238 HG2 PRO 37 HG2 PRO 37 15.981 12.142 -19.087 239 HG3 PRO 37 HG3 PRO 37 16.305 10.654 -18.181 240 HD2 PRO 37 HD2 PRO 37 15.141 12.884 -17.089 241 HD3 PRO 37 HD3 PRO 37 16.066 11.693 -16.155 242 H ASN 38 H ASN 38 16.148 14.608 -18.453 243 HA ASN 38 HA ASN 38 17.489 16.035 -20.658 244 HB2 ASN 38 HB2 ASN 38 15.477 14.725 -21.234 245 HB3 ASN 38 HB3 ASN 38 14.541 15.653 -20.072 246 HD21 ASN 38 HD21 ASN 38 16.983 16.992 -22.200 247 HD22 ASN 38 HD22 ASN 38 15.895 17.927 -23.155 248 H GLY 39 H GLY 39 15.891 16.415 -17.623 249 HA2 GLY 39 HA2 GLY 39 16.240 18.358 -16.265 250 HA3 GLY 39 HA3 GLY 39 16.388 19.316 -17.739 251 H GLU 40 H GLU 40 14.005 16.875 -17.406 252 HA GLU 40 HA GLU 40 11.883 18.731 -17.905 253 HB2 GLU 40 HB2 GLU 40 10.456 16.682 -17.832 254 HB3 GLU 40 HB3 GLU 40 11.775 16.593 -18.988 255 HG2 GLU 40 HG2 GLU 40 12.074 15.430 -16.242 256 HG3 GLU 40 HG3 GLU 40 11.237 14.540 -17.510 257 HA PRO 41 HA PRO 41 10.794 19.218 -13.625 258 HB2 PRO 41 HB2 PRO 41 8.495 20.559 -13.930 259 HB3 PRO 41 HB3 PRO 41 10.052 21.296 -14.327 260 HG2 PRO 41 HG2 PRO 41 7.989 20.128 -16.142 261 HG3 PRO 41 HG3 PRO 41 8.990 21.572 -16.365 262 HD2 PRO 41 HD2 PRO 41 9.510 19.094 -17.490 263 HD3 PRO 41 HD3 PRO 41 10.719 20.369 -17.241 264 H CYS 42 H CYS 42 9.412 18.313 -12.078 265 HA CYS 42 HA CYS 42 7.766 16.112 -13.028 266 HB2 CYS 42 HB2 CYS 42 7.776 15.427 -10.647 267 HB3 CYS 42 HB3 CYS 42 9.402 15.655 -11.275 268 HA PRO 43 HA PRO 43 3.917 18.191 -12.229 269 HB2 PRO 43 HB2 PRO 43 2.297 16.151 -11.536 270 HB3 PRO 43 HB3 PRO 43 2.929 16.328 -13.177 271 HG2 PRO 43 HG2 PRO 43 3.902 14.570 -10.955 272 HG3 PRO 43 HG3 PRO 43 3.658 14.175 -12.666 273 HD2 PRO 43 HD2 PRO 43 6.096 14.755 -11.631 274 HD3 PRO 43 HD3 PRO 43 5.647 15.140 -13.302 275 H ALA 44 H ALA 44 5.694 18.372 -9.991 276 HA ALA 44 HA ALA 44 3.897 17.954 -7.705 277 HB1 ALA 44 HB1 ALA 44 6.124 16.950 -7.517 278 HB2 ALA 44 HB2 ALA 44 5.850 18.191 -6.295 279 HB3 ALA 44 HB3 ALA 44 6.850 18.546 -7.704 280 HA PRO 45 HA PRO 45 3.207 22.355 -7.580 281 HB2 PRO 45 HB2 PRO 45 2.148 22.505 -5.090 282 HB3 PRO 45 HB3 PRO 45 1.250 21.830 -6.455 283 HG2 PRO 45 HG2 PRO 45 2.802 20.397 -4.325 284 HG3 PRO 45 HG3 PRO 45 1.171 20.043 -4.936 285 HD2 PRO 45 HD2 PRO 45 3.330 18.669 -5.756 286 HD3 PRO 45 HD3 PRO 45 1.989 19.042 -6.862 287 H ASP 46 H ASP 46 5.031 20.595 -5.193 288 HA ASP 46 HA ASP 46 6.311 23.058 -4.233 289 HB2 ASP 46 HB2 ASP 46 5.291 21.485 -2.556 290 HB3 ASP 46 HB3 ASP 46 6.455 20.266 -3.057 291 H CYS 47 H CYS 47 6.774 21.636 -6.796 292 HA CYS 47 HA CYS 47 9.175 20.211 -6.765 293 HB2 CYS 47 HB2 CYS 47 7.783 20.114 -8.707 294 HB3 CYS 47 HB3 CYS 47 7.905 21.854 -8.945 295 H HIS 48 H HIS 48 11.258 20.742 -7.049 296 HA HIS 48 HA HIS 48 11.965 23.585 -7.230 297 HB2 HIS 48 HB2 HIS 48 13.081 21.616 -5.222 298 HB3 HIS 48 HB3 HIS 48 13.835 23.162 -5.587 299 HD1 HIS 48 HD1 HIS 48 11.915 21.784 -3.056 300 HD2 HIS 48 HD2 HIS 48 11.528 25.268 -5.288 301 HE1 HIS 48 HE1 HIS 48 10.458 23.304 -1.691 302 HE2 HIS 48 HE2 HIS 48 10.048 25.294 -3.175 303 H CYS 49 H CYS 49 12.391 20.395 -8.245 304 HA CYS 49 HA CYS 49 15.099 20.758 -9.209 305 HB2 CYS 49 HB2 CYS 49 14.687 18.401 -10.092 306 HB3 CYS 49 HB3 CYS 49 14.694 18.604 -8.341 307 H GLU 50 H GLU 50 12.711 22.256 -10.226 308 HA GLU 50 HA GLU 50 12.596 21.418 -13.003 309 HB2 GLU 50 HB2 GLU 50 10.920 23.124 -13.253 310 HB3 GLU 50 HB3 GLU 50 10.592 22.200 -11.793 311 HG2 GLU 50 HG2 GLU 50 11.505 23.968 -10.419 312 HG3 GLU 50 HG3 GLU 50 11.938 24.891 -11.858 313 H ARG 51 H ARG 51 14.860 22.829 -11.321 314 HA ARG 51 HA ARG 51 15.350 25.131 -12.978 315 HB2 ARG 51 HB2 ARG 51 17.134 25.643 -11.368 316 HB3 ARG 51 HB3 ARG 51 15.593 25.428 -10.555 317 HG2 ARG 51 HG2 ARG 51 16.293 23.118 -9.965 318 HG3 ARG 51 HG3 ARG 51 17.873 23.464 -10.668 319 HD2 ARG 51 HD2 ARG 51 18.080 25.375 -9.077 320 HD3 ARG 51 HD3 ARG 51 16.583 24.838 -8.318 321 HE ARG 51 HE ARG 51 19.141 23.398 -8.317 322 HH11 ARG 51 HH11 ARG 51 15.885 23.780 -7.054 323 HH12 ARG 51 HH12 ARG 51 16.138 22.658 -5.746 324 HH21 ARG 51 HH21 ARG 51 19.459 21.943 -6.576 325 HH22 ARG 51 HH22 ARG 51 18.159 21.638 -5.473 326 H SER 52 H SER 52 16.684 25.046 -14.566 327 HA SER 52 HA SER 52 18.065 24.299 -16.110 328 HB2 SER 52 HB2 SER 52 19.532 22.906 -13.871 329 HB3 SER 52 HB3 SER 52 20.207 23.395 -15.424 330 HG SER 52 HG SER 52 20.207 24.780 -13.244 Start of MODEL 20 1 HA ASN 1 HA ASN 1 5.437 5.818 7.127 2 HB2 ASN 1 HB2 ASN 1 7.426 6.391 5.818 3 HB3 ASN 1 HB3 ASN 1 7.651 4.851 6.638 4 HD21 ASN 1 HD21 ASN 1 7.307 6.449 3.579 5 HD22 ASN 1 HD22 ASN 1 7.695 5.082 2.599 6 H GLU 2 H GLU 2 5.429 7.807 5.761 7 HA GLU 2 HA GLU 2 3.313 7.659 3.818 8 HB2 GLU 2 HB2 GLU 2 3.443 9.561 5.375 9 HB3 GLU 2 HB3 GLU 2 5.014 9.998 4.722 10 HG2 GLU 2 HG2 GLU 2 4.023 10.520 2.583 11 HG3 GLU 2 HG3 GLU 2 2.447 9.976 3.152 12 H LEU 3 H LEU 3 3.527 7.794 1.634 13 HA LEU 3 HA LEU 3 6.210 7.348 0.656 14 HB2 LEU 3 HB2 LEU 3 4.301 5.911 -0.033 15 HB3 LEU 3 HB3 LEU 3 3.632 7.284 -0.892 16 HG LEU 3 HG LEU 3 5.474 7.311 -2.428 17 HD11 LEU 3 HD11 LEU 3 7.280 6.790 -0.916 18 HD12 LEU 3 HD12 LEU 3 7.295 5.652 -2.265 19 HD13 LEU 3 HD13 LEU 3 6.666 5.151 -0.696 20 HD21 LEU 3 HD21 LEU 3 5.234 5.111 -3.466 21 HD22 LEU 3 HD22 LEU 3 3.679 5.726 -2.904 22 HD23 LEU 3 HD23 LEU 3 4.523 4.484 -1.980 23 H ARG 4 H ARG 4 7.420 8.890 -0.014 24 HA ARG 4 HA ARG 4 6.216 11.230 -1.291 25 HB2 ARG 4 HB2 ARG 4 8.006 12.590 -0.187 26 HB3 ARG 4 HB3 ARG 4 6.794 11.940 0.905 27 HG2 ARG 4 HG2 ARG 4 8.495 10.008 1.230 28 HG3 ARG 4 HG3 ARG 4 9.656 11.174 0.588 29 HD2 ARG 4 HD2 ARG 4 9.017 12.768 2.309 30 HD3 ARG 4 HD3 ARG 4 7.819 11.621 2.914 31 HE ARG 4 HE ARG 4 10.510 10.611 2.868 32 HH11 ARG 4 HH11 ARG 4 8.111 12.361 4.717 33 HH12 ARG 4 HH12 ARG 4 8.815 11.988 6.251 34 HH21 ARG 4 HH21 ARG 4 11.471 10.115 4.907 35 HH22 ARG 4 HH22 ARG 4 10.729 10.699 6.359 36 H CYS 5 H CYS 5 8.020 12.523 -2.439 37 HA CYS 5 HA CYS 5 9.097 10.684 -4.341 38 HB2 CYS 5 HB2 CYS 5 8.077 12.903 -4.878 39 HB3 CYS 5 HB3 CYS 5 9.529 13.659 -4.230 40 H GLY 6 H GLY 6 11.238 10.421 -4.968 41 HA2 GLY 6 HA2 GLY 6 13.113 10.439 -2.778 42 HA3 GLY 6 HA3 GLY 6 13.344 9.776 -4.388 43 H CYS 7 H CYS 7 12.475 12.440 -5.501 44 HA CYS 7 HA CYS 7 14.981 13.504 -6.051 45 HB2 CYS 7 HB2 CYS 7 12.494 14.041 -6.978 46 HB3 CYS 7 HB3 CYS 7 12.719 15.435 -5.941 47 HA PRO 8 HA PRO 8 15.685 15.115 -1.915 48 HB2 PRO 8 HB2 PRO 8 18.288 15.768 -2.285 49 HB3 PRO 8 HB3 PRO 8 17.745 14.110 -2.003 50 HG2 PRO 8 HG2 PRO 8 18.443 15.464 -4.575 51 HG3 PRO 8 HG3 PRO 8 18.859 13.832 -4.026 52 HD2 PRO 8 HD2 PRO 8 16.839 14.329 -5.764 53 HD3 PRO 8 HD3 PRO 8 16.795 12.976 -4.609 54 H ASP 9 H ASP 9 15.598 16.757 -4.843 55 HA ASP 9 HA ASP 9 16.119 19.320 -3.513 56 HB2 ASP 9 HB2 ASP 9 17.484 18.675 -5.563 57 HB3 ASP 9 HB3 ASP 9 16.004 18.873 -6.494 58 H CYS 10 H CYS 10 13.591 17.363 -4.258 59 HA CYS 10 HA CYS 10 11.764 19.629 -4.375 60 HB2 CYS 10 HB2 CYS 10 12.171 18.840 -6.722 61 HB3 CYS 10 HB3 CYS 10 11.497 17.282 -6.261 62 H HIS 11 H HIS 11 9.610 19.121 -3.699 63 HA HIS 11 HA HIS 11 9.388 16.593 -2.224 64 HB2 HIS 11 HB2 HIS 11 9.612 18.532 -0.702 65 HB3 HIS 11 HB3 HIS 11 8.207 19.276 -1.455 66 HD2 HIS 11 HD2 HIS 11 5.732 17.928 -0.880 67 HE1 HIS 11 HE1 HIS 11 7.310 15.845 2.454 68 HE2 HIS 11 HE2 HIS 11 5.264 16.303 1.063 69 H CYS 12 H CYS 12 8.066 15.348 -3.408 70 HA CYS 12 HA CYS 12 5.648 16.601 -4.544 71 HB2 CYS 12 HB2 CYS 12 6.758 14.049 -5.610 72 HB3 CYS 12 HB3 CYS 12 5.808 15.280 -6.420 73 H LYS 13 H LYS 13 3.749 15.341 -4.579 74 HA LYS 13 HA LYS 13 3.538 13.414 -2.439 75 HB2 LYS 13 HB2 LYS 13 1.141 13.402 -2.997 76 HB3 LYS 13 HB3 LYS 13 1.739 15.022 -2.689 77 HG2 LYS 13 HG2 LYS 13 1.774 15.503 -5.055 78 HG3 LYS 13 HG3 LYS 13 1.296 13.843 -5.425 79 HD2 LYS 13 HD2 LYS 13 -0.336 15.754 -3.773 80 HD3 LYS 13 HD3 LYS 13 -0.579 15.491 -5.504 81 HE2 LYS 13 HE2 LYS 13 -1.052 13.124 -5.074 82 HE3 LYS 13 HE3 LYS 13 -0.770 13.375 -3.355 83 HZ1 LYS 13 HZ1 LYS 13 -2.650 14.878 -3.289 84 HZ2 LYS 13 HZ2 LYS 13 -3.118 13.368 -3.880 85 HZ3 LYS 13 HZ3 LYS 13 -2.921 14.659 -4.944 86 H VAL 14 H VAL 14 3.326 11.224 -2.745 87 HA VAL 14 HA VAL 14 3.555 10.357 -5.537 88 HB VAL 14 HB VAL 14 4.889 9.140 -3.122 89 HG11 VAL 14 HG11 VAL 14 5.932 7.598 -4.704 90 HG12 VAL 14 HG12 VAL 14 4.966 8.283 -6.012 91 HG13 VAL 14 HG13 VAL 14 4.179 7.417 -4.691 92 HG21 VAL 14 HG21 VAL 14 5.944 11.187 -3.911 93 HG22 VAL 14 HG22 VAL 14 6.023 10.524 -5.544 94 HG23 VAL 14 HG23 VAL 14 6.956 9.783 -4.244 95 H ASP 15 H ASP 15 2.193 8.964 -6.261 96 HA ASP 15 HA ASP 15 0.116 7.899 -4.553 97 HB2 ASP 15 HB2 ASP 15 -0.373 8.878 -6.776 98 HB3 ASP 15 HB3 ASP 15 0.571 7.597 -7.519 99 HA PRO 16 HA PRO 16 2.373 4.135 -3.825 100 HB2 PRO 16 HB2 PRO 16 -0.315 3.003 -3.296 101 HB3 PRO 16 HB3 PRO 16 1.110 3.058 -2.253 102 HG2 PRO 16 HG2 PRO 16 -0.974 4.650 -1.799 103 HG3 PRO 16 HG3 PRO 16 0.686 5.222 -1.560 104 HD2 PRO 16 HD2 PRO 16 -1.197 5.759 -3.818 105 HD3 PRO 16 HD3 PRO 16 -0.063 6.854 -3.000 106 H GLU 17 H GLU 17 -0.303 4.318 -6.069 107 HA GLU 17 HA GLU 17 0.447 1.689 -7.149 108 HB2 GLU 17 HB2 GLU 17 -1.949 2.111 -6.555 109 HB3 GLU 17 HB3 GLU 17 -1.993 3.346 -7.804 110 HG2 GLU 17 HG2 GLU 17 -2.958 1.224 -8.547 111 HG3 GLU 17 HG3 GLU 17 -1.557 1.696 -9.508 112 H ARG 18 H ARG 18 0.672 5.030 -7.731 113 HA ARG 18 HA ARG 18 1.468 4.534 -10.535 114 HB2 ARG 18 HB2 ARG 18 0.288 7.037 -9.317 115 HB3 ARG 18 HB3 ARG 18 0.827 6.880 -10.982 116 HG2 ARG 18 HG2 ARG 18 -0.994 5.705 -11.607 117 HG3 ARG 18 HG3 ARG 18 -1.134 4.883 -10.052 118 HD2 ARG 18 HD2 ARG 18 -3.013 6.382 -10.409 119 HD3 ARG 18 HD3 ARG 18 -2.020 6.914 -9.052 120 HE ARG 18 HE ARG 18 -1.613 8.122 -11.693 121 HH11 ARG 18 HH11 ARG 18 -2.648 8.447 -8.334 122 HH12 ARG 18 HH12 ARG 18 -2.735 10.172 -8.413 123 HH21 ARG 18 HH21 ARG 18 -1.736 10.400 -11.774 124 HH22 ARG 18 HH22 ARG 18 -2.220 11.287 -10.368 125 H VAL 19 H VAL 19 3.180 4.182 -8.385 126 HA VAL 19 HA VAL 19 4.938 6.525 -8.402 127 HB VAL 19 HB VAL 19 4.524 5.820 -6.176 128 HG11 VAL 19 HG11 VAL 19 3.608 3.634 -6.605 129 HG12 VAL 19 HG12 VAL 19 4.882 3.519 -5.389 130 HG13 VAL 19 HG13 VAL 19 5.200 3.019 -7.052 131 HG21 VAL 19 HG21 VAL 19 6.850 6.362 -6.542 132 HG22 VAL 19 HG22 VAL 19 7.191 4.696 -7.017 133 HG23 VAL 19 HG23 VAL 19 6.715 5.061 -5.357 134 H PHE 20 H PHE 20 6.942 6.498 -9.263 135 HA PHE 20 HA PHE 20 7.730 4.131 -10.779 136 HB2 PHE 20 HB2 PHE 20 8.541 7.022 -10.871 137 HB3 PHE 20 HB3 PHE 20 9.540 5.788 -11.621 138 HD1 PHE 20 HD1 PHE 20 6.624 7.832 -11.913 139 HD2 PHE 20 HD2 PHE 20 8.545 4.378 -13.448 140 HE1 PHE 20 HE1 PHE 20 5.197 7.943 -13.913 141 HE2 PHE 20 HE2 PHE 20 7.133 4.477 -15.457 142 HZ PHE 20 HZ PHE 20 5.452 6.265 -15.691 143 H ASN 21 H ASN 21 9.291 2.821 -10.053 144 HA ASN 21 HA ASN 21 10.847 3.743 -7.754 145 HB2 ASN 21 HB2 ASN 21 11.309 1.419 -7.240 146 HB3 ASN 21 HB3 ASN 21 9.580 1.623 -7.472 147 HD21 ASN 21 HD21 ASN 21 12.500 0.238 -8.733 148 HD22 ASN 21 HD22 ASN 21 11.748 -0.794 -9.894 149 H HIS 22 H HIS 22 12.988 3.891 -7.748 150 HA HIS 22 HA HIS 22 14.601 2.757 -9.858 151 HB2 HIS 22 HB2 HIS 22 14.017 4.777 -11.009 152 HB3 HIS 22 HB3 HIS 22 14.232 5.752 -9.566 153 HD2 HIS 22 HD2 HIS 22 16.861 6.556 -9.056 154 HE1 HIS 22 HE1 HIS 22 18.534 4.896 -12.574 155 HE2 HIS 22 HE2 HIS 22 18.952 6.333 -10.557 156 H ASP 23 H ASP 23 16.476 2.117 -9.007 157 HA ASP 23 HA ASP 23 18.199 1.798 -7.562 158 HB2 ASP 23 HB2 ASP 23 18.711 4.175 -8.072 159 HB3 ASP 23 HB3 ASP 23 17.667 4.679 -6.752 160 H GLY 24 H GLY 24 15.312 1.463 -6.783 161 HA2 GLY 24 HA2 GLY 24 14.343 0.424 -4.940 162 HA3 GLY 24 HA3 GLY 24 15.789 0.789 -4.009 163 H GLU 25 H GLU 25 14.866 3.521 -5.566 164 HA GLU 25 HA GLU 25 13.580 4.569 -3.156 165 HB2 GLU 25 HB2 GLU 25 15.752 5.530 -4.189 166 HB3 GLU 25 HB3 GLU 25 14.694 6.164 -5.439 167 HG2 GLU 25 HG2 GLU 25 13.617 7.608 -3.964 168 HG3 GLU 25 HG3 GLU 25 14.236 6.760 -2.545 169 H ALA 26 H ALA 26 11.787 6.027 -3.450 170 HA ALA 26 HA ALA 26 10.124 5.223 -5.736 171 HB1 ALA 26 HB1 ALA 26 9.315 6.289 -3.037 172 HB2 ALA 26 HB2 ALA 26 9.238 4.605 -3.557 173 HB3 ALA 26 HB3 ALA 26 8.213 5.816 -4.327 174 H TYR 27 H TYR 27 9.079 6.733 -6.982 175 HA TYR 27 HA TYR 27 9.592 9.559 -6.393 176 HB2 TYR 27 HB2 TYR 27 10.079 8.235 -9.063 177 HB3 TYR 27 HB3 TYR 27 10.183 9.961 -8.743 178 HD1 TYR 27 HD1 TYR 27 11.822 6.730 -8.383 179 HD2 TYR 27 HD2 TYR 27 12.039 10.867 -7.432 180 HE1 TYR 27 HE1 TYR 27 14.192 6.469 -7.787 181 HE2 TYR 27 HE2 TYR 27 14.406 10.613 -6.845 182 HH TYR 27 HH TYR 27 15.876 8.669 -6.010 183 H CYS 28 H CYS 28 8.175 11.014 -7.460 184 HA CYS 28 HA CYS 28 5.490 10.101 -7.615 185 HB2 CYS 28 HB2 CYS 28 5.012 12.427 -8.260 186 HB3 CYS 28 HB3 CYS 28 6.075 12.349 -6.857 187 H SER 29 H SER 29 7.957 10.963 -9.942 188 HA SER 29 HA SER 29 6.421 9.735 -12.072 189 HB2 SER 29 HB2 SER 29 6.832 11.695 -13.550 190 HB3 SER 29 HB3 SER 29 5.749 12.060 -12.205 191 HG SER 29 HG SER 29 7.516 13.005 -11.114 192 H GLN 30 H GLN 30 7.819 9.811 -14.128 193 HA GLN 30 HA GLN 30 10.285 8.553 -13.603 194 HB2 GLN 30 HB2 GLN 30 10.549 8.470 -16.005 195 HB3 GLN 30 HB3 GLN 30 8.885 8.092 -15.590 196 HG2 GLN 30 HG2 GLN 30 9.831 10.786 -16.523 197 HG3 GLN 30 HG3 GLN 30 9.143 9.555 -17.579 198 HE21 GLN 30 HE21 GLN 30 8.216 12.271 -17.015 199 HE22 GLN 30 HE22 GLN 30 6.606 12.094 -16.394 200 H ALA 31 H ALA 31 9.373 11.850 -14.077 201 HA ALA 31 HA ALA 31 11.737 12.940 -15.076 202 HB1 ALA 31 HB1 ALA 31 9.738 14.220 -13.216 203 HB2 ALA 31 HB2 ALA 31 9.612 14.154 -14.973 204 HB3 ALA 31 HB3 ALA 31 10.918 15.067 -14.217 205 H CYS 32 H CYS 32 10.643 12.940 -11.673 206 HA CYS 32 HA CYS 32 13.134 13.776 -10.641 207 HB2 CYS 32 HB2 CYS 32 10.810 12.365 -9.331 208 HB3 CYS 32 HB3 CYS 32 12.191 12.995 -8.452 209 H ALA 33 H ALA 33 11.845 10.686 -11.464 210 HA ALA 33 HA ALA 33 13.478 9.042 -9.850 211 HB1 ALA 33 HB1 ALA 33 12.787 7.215 -11.299 212 HB2 ALA 33 HB2 ALA 33 12.196 8.364 -12.497 213 HB3 ALA 33 HB3 ALA 33 11.412 8.253 -10.922 214 H GLU 34 H GLU 34 13.759 10.056 -13.204 215 HA GLU 34 HA GLU 34 16.358 8.791 -13.471 216 HB2 GLU 34 HB2 GLU 34 14.526 10.183 -15.400 217 HB3 GLU 34 HB3 GLU 34 16.165 9.731 -15.843 218 HG2 GLU 34 HG2 GLU 34 14.141 7.773 -14.801 219 HG3 GLU 34 HG3 GLU 34 14.367 8.120 -16.514 220 H GLN 35 H GLN 35 15.609 11.420 -11.944 221 HA GLN 35 HA GLN 35 16.706 13.291 -11.307 222 HB2 GLN 35 HB2 GLN 35 18.974 12.115 -12.925 223 HB3 GLN 35 HB3 GLN 35 19.127 13.521 -11.882 224 HG2 GLN 35 HG2 GLN 35 18.477 12.144 -9.957 225 HG3 GLN 35 HG3 GLN 35 18.381 10.739 -11.015 226 HE21 GLN 35 HE21 GLN 35 20.062 11.260 -8.683 227 HE22 GLN 35 HE22 GLN 35 21.691 11.057 -9.224 228 H HIS 36 H HIS 36 15.185 13.112 -13.830 229 HA HIS 36 HA HIS 36 14.471 14.455 -15.509 230 HB2 HIS 36 HB2 HIS 36 16.023 16.658 -14.136 231 HB3 HIS 36 HB3 HIS 36 14.669 16.849 -15.241 232 HD1 HIS 36 HD1 HIS 36 12.439 17.109 -14.146 233 HD2 HIS 36 HD2 HIS 36 15.195 15.244 -11.662 234 HE1 HIS 36 HE1 HIS 36 11.312 16.882 -11.915 235 HA PRO 37 HA PRO 37 18.454 14.447 -17.857 236 HB2 PRO 37 HB2 PRO 37 18.045 12.312 -19.413 237 HB3 PRO 37 HB3 PRO 37 18.618 12.126 -17.752 238 HG2 PRO 37 HG2 PRO 37 15.872 11.737 -18.863 239 HG3 PRO 37 HG3 PRO 37 16.733 10.785 -17.642 240 HD2 PRO 37 HD2 PRO 37 14.833 12.735 -17.094 241 HD3 PRO 37 HD3 PRO 37 16.054 12.155 -15.945 242 H ASN 38 H ASN 38 15.118 14.397 -18.523 243 HA ASN 38 HA ASN 38 15.352 15.145 -21.339 244 HB2 ASN 38 HB2 ASN 38 13.610 13.570 -20.669 245 HB3 ASN 38 HB3 ASN 38 12.942 14.767 -19.562 246 HD21 ASN 38 HD21 ASN 38 13.558 14.014 -22.897 247 HD22 ASN 38 HD22 ASN 38 12.360 15.062 -23.549 248 H GLY 39 H GLY 39 15.017 16.614 -18.249 249 HA2 GLY 39 HA2 GLY 39 15.197 18.941 -17.843 250 HA3 GLY 39 HA3 GLY 39 14.693 19.243 -19.502 251 H GLU 40 H GLU 40 12.794 16.903 -18.482 252 HA GLU 40 HA GLU 40 10.474 18.509 -18.251 253 HB2 GLU 40 HB2 GLU 40 10.210 16.459 -19.353 254 HB3 GLU 40 HB3 GLU 40 11.079 15.577 -18.110 255 HG2 GLU 40 HG2 GLU 40 9.195 15.966 -16.570 256 HG3 GLU 40 HG3 GLU 40 8.318 16.745 -17.887 257 HA PRO 41 HA PRO 41 10.679 18.792 -13.726 258 HB2 PRO 41 HB2 PRO 41 8.185 20.297 -13.988 259 HB3 PRO 41 HB3 PRO 41 9.753 20.855 -13.402 260 HG2 PRO 41 HG2 PRO 41 8.691 21.684 -15.755 261 HG3 PRO 41 HG3 PRO 41 10.438 21.538 -15.486 262 HD2 PRO 41 HD2 PRO 41 8.578 19.679 -16.912 263 HD3 PRO 41 HD3 PRO 41 10.226 20.185 -17.342 264 H CYS 42 H CYS 42 9.190 18.098 -11.996 265 HA CYS 42 HA CYS 42 7.619 15.839 -12.854 266 HB2 CYS 42 HB2 CYS 42 7.373 15.469 -10.399 267 HB3 CYS 42 HB3 CYS 42 9.048 15.588 -10.931 268 HA PRO 43 HA PRO 43 3.631 17.785 -12.600 269 HB2 PRO 43 HB2 PRO 43 2.049 15.736 -11.865 270 HB3 PRO 43 HB3 PRO 43 2.831 15.790 -13.450 271 HG2 PRO 43 HG2 PRO 43 3.667 14.315 -10.979 272 HG3 PRO 43 HG3 PRO 43 3.596 13.734 -12.653 273 HD2 PRO 43 HD2 PRO 43 5.901 14.546 -11.488 274 HD3 PRO 43 HD3 PRO 43 5.582 14.744 -13.221 275 H ALA 44 H ALA 44 5.300 17.949 -10.122 276 HA ALA 44 HA ALA 44 3.327 17.675 -8.000 277 HB1 ALA 44 HB1 ALA 44 5.625 16.938 -7.580 278 HB2 ALA 44 HB2 ALA 44 5.146 18.237 -6.490 279 HB3 ALA 44 HB3 ALA 44 6.200 18.579 -7.860 280 HA PRO 45 HA PRO 45 2.093 21.939 -8.324 281 HB2 PRO 45 HB2 PRO 45 0.916 22.187 -5.892 282 HB3 PRO 45 HB3 PRO 45 0.173 21.290 -7.220 283 HG2 PRO 45 HG2 PRO 45 1.778 20.257 -4.908 284 HG3 PRO 45 HG3 PRO 45 0.238 19.649 -5.549 285 HD2 PRO 45 HD2 PRO 45 2.576 18.483 -6.151 286 HD3 PRO 45 HD3 PRO 45 1.267 18.604 -7.345 287 H ASP 46 H ASP 46 3.976 20.752 -5.603 288 HA ASP 46 HA ASP 46 4.868 23.490 -4.987 289 HB2 ASP 46 HB2 ASP 46 3.912 21.937 -3.172 290 HB3 ASP 46 HB3 ASP 46 5.404 21.019 -3.332 291 H CYS 47 H CYS 47 5.722 21.757 -7.247 292 HA CYS 47 HA CYS 47 8.271 20.673 -6.790 293 HB2 CYS 47 HB2 CYS 47 7.195 19.982 -8.763 294 HB3 CYS 47 HB3 CYS 47 6.895 21.637 -9.280 295 H HIS 48 H HIS 48 10.304 21.384 -7.327 296 HA HIS 48 HA HIS 48 10.883 23.912 -8.403 297 HB2 HIS 48 HB2 HIS 48 10.218 24.601 -6.058 298 HB3 HIS 48 HB3 HIS 48 11.582 23.661 -5.465 299 HD1 HIS 48 HD1 HIS 48 12.289 26.136 -4.524 300 HD2 HIS 48 HD2 HIS 48 12.565 25.536 -8.626 301 HE1 HIS 48 HE1 HIS 48 13.802 27.954 -5.380 302 HE2 HIS 48 HE2 HIS 48 14.188 27.346 -7.796 303 H CYS 49 H CYS 49 11.543 21.323 -9.050 304 HA CYS 49 HA CYS 49 14.054 20.469 -8.116 305 HB2 CYS 49 HB2 CYS 49 12.843 20.074 -10.866 306 HB3 CYS 49 HB3 CYS 49 14.154 19.130 -10.168 307 H GLU 50 H GLU 50 15.651 21.924 -8.033 308 HA GLU 50 HA GLU 50 16.069 23.786 -10.230 309 HB2 GLU 50 HB2 GLU 50 16.173 24.322 -7.701 310 HB3 GLU 50 HB3 GLU 50 17.749 23.547 -7.747 311 HG2 GLU 50 HG2 GLU 50 18.023 25.913 -7.931 312 HG3 GLU 50 HG3 GLU 50 18.452 25.164 -9.469 313 H ARG 51 H ARG 51 17.848 21.283 -8.453 314 HA ARG 51 HA ARG 51 19.882 21.272 -10.503 315 HB2 ARG 51 HB2 ARG 51 21.220 19.997 -8.966 316 HB3 ARG 51 HB3 ARG 51 20.568 21.376 -8.098 317 HG2 ARG 51 HG2 ARG 51 18.825 19.896 -7.151 318 HG3 ARG 51 HG3 ARG 51 19.607 18.530 -7.949 319 HD2 ARG 51 HD2 ARG 51 21.715 19.190 -6.721 320 HD3 ARG 51 HD3 ARG 51 20.717 20.293 -5.779 321 HE ARG 51 HE ARG 51 19.964 17.474 -5.880 322 HH11 ARG 51 HH11 ARG 51 21.224 20.182 -4.030 323 HH12 ARG 51 HH12 ARG 51 21.127 19.355 -2.517 324 HH21 ARG 51 HH21 ARG 51 19.878 16.371 -3.873 325 HH22 ARG 51 HH22 ARG 51 20.362 17.183 -2.425 326 H SER 52 H SER 52 20.328 19.431 -11.635 327 HA SER 52 HA SER 52 19.816 17.649 -12.821 328 HB2 SER 52 HB2 SER 52 18.590 16.630 -10.257 329 HB3 SER 52 HB3 SER 52 19.030 15.634 -11.642 330 HG SER 52 HG SER 52 21.224 16.659 -11.266
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