NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
624844 | 5mwq | 34087 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 6.194 2.535 0.629 2 H2 GLY 1 H2 GLY 1 4.725 1.845 0.407 3 H3 GLY 1 H3 GLY 1 5.091 3.243 -0.352 4 HA2 GLY 1 HA2 GLY 1 6.783 2.169 -1.684 5 HA3 GLY 1 HA3 GLY 1 6.417 0.648 -0.839 6 H ILE 2 H ILE 2 6.259 1.272 -3.724 7 HA ILE 2 HA ILE 2 3.709 1.947 -4.613 8 HB ILE 2 HB ILE 2 5.908 1.800 -5.851 9 HG12 ILE 2 HG12 ILE 2 4.861 1.255 -8.081 10 HG13 ILE 2 HG13 ILE 2 3.377 0.852 -7.209 11 HG21 ILE 2 HG21 ILE 2 6.442 -0.608 -5.410 12 HG22 ILE 2 HG22 ILE 2 5.068 -1.079 -6.433 13 HG23 ILE 2 HG23 ILE 2 6.436 -0.222 -7.134 14 HD11 ILE 2 HD11 ILE 2 3.237 3.164 -6.362 15 HD12 ILE 2 HD12 ILE 2 4.823 3.536 -7.078 16 HD13 ILE 2 HD13 ILE 2 3.427 3.174 -8.123 17 H VAL 3 H VAL 3 4.905 -1.249 -3.735 18 HA VAL 3 HA VAL 3 2.820 -2.861 -4.705 19 HB VAL 3 HB VAL 3 5.074 -3.554 -3.896 20 HG11 VAL 3 HG11 VAL 3 5.457 -4.066 -1.571 21 HG12 VAL 3 HG12 VAL 3 5.049 -2.354 -1.689 22 HG13 VAL 3 HG13 VAL 3 3.829 -3.521 -1.108 23 HG21 VAL 3 HG21 VAL 3 2.762 -5.138 -2.720 24 HG22 VAL 3 HG22 VAL 3 3.349 -5.221 -4.396 25 HG23 VAL 3 HG23 VAL 3 4.391 -5.738 -3.063 26 H GLU 4 H GLU 4 2.812 -0.844 -1.834 27 HA GLU 4 HA GLU 4 0.104 -1.858 -1.066 28 HB2 GLU 4 HB2 GLU 4 1.694 -1.620 0.740 29 HB3 GLU 4 HB3 GLU 4 1.976 0.087 0.334 30 HG2 GLU 4 HG2 GLU 4 -0.310 0.677 0.891 31 HG3 GLU 4 HG3 GLU 4 -0.751 -1.021 1.076 32 H GLN 5 H GLN 5 1.771 1.158 -2.104 33 HA GLN 5 HA GLN 5 -0.440 2.855 -1.970 34 HB2 GLN 5 HB2 GLN 5 1.860 3.633 -2.201 35 HB3 GLN 5 HB3 GLN 5 1.969 2.924 -3.810 36 HG2 GLN 5 HG2 GLN 5 1.687 5.323 -4.004 37 HG3 GLN 5 HG3 GLN 5 0.288 4.502 -4.675 38 HE21 GLN 5 HE21 GLN 5 -0.698 6.725 -4.403 39 HE22 GLN 5 HE22 GLN 5 -1.349 7.132 -2.821 40 H CYS 6 H CYS 6 0.596 0.890 -4.802 41 HA CYS 6 HA CYS 6 -1.628 1.790 -6.445 42 HB2 CYS 6 HB2 CYS 6 0.448 -0.390 -6.737 43 HB3 CYS 6 HB3 CYS 6 -0.808 -0.078 -7.932 44 H CYS 7 H CYS 7 -1.420 -0.626 -3.956 45 HA CYS 7 HA CYS 7 -3.760 -2.132 -4.930 46 HB2 CYS 7 HB2 CYS 7 -1.987 -3.187 -3.486 47 HB3 CYS 7 HB3 CYS 7 -2.438 -2.094 -2.185 48 H THR 8 H THR 8 -3.016 0.168 -2.288 49 HA THR 8 HA THR 8 -5.772 0.506 -1.552 50 HB THR 8 HB THR 8 -3.733 0.512 -0.051 51 HG1 THR 8 HG1 THR 8 -4.813 1.835 1.407 52 HG21 THR 8 HG21 THR 8 -3.758 3.510 -0.647 53 HG22 THR 8 HG22 THR 8 -2.519 2.374 -1.231 54 HG23 THR 8 HG23 THR 8 -2.724 2.627 0.507 55 H SER 9 H SER 9 -3.904 2.226 -3.856 56 HA SER 9 HA SER 9 -6.165 4.057 -4.409 57 HB2 SER 9 HB2 SER 9 -4.562 5.211 -2.859 58 HB3 SER 9 HB3 SER 9 -3.299 5.025 -4.096 59 HG SER 9 HG SER 9 -4.437 7.068 -4.155 60 H ILE 10 H ILE 10 -5.610 5.320 -6.524 61 HA ILE 10 HA ILE 10 -5.110 3.320 -8.567 62 HB ILE 10 HB ILE 10 -5.441 5.165 -10.188 63 HG12 ILE 10 HG12 ILE 10 -5.899 6.887 -7.702 64 HG13 ILE 10 HG13 ILE 10 -4.629 7.084 -8.913 65 HG21 ILE 10 HG21 ILE 10 -7.266 3.700 -9.252 66 HG22 ILE 10 HG22 ILE 10 -7.644 4.994 -8.096 67 HG23 ILE 10 HG23 ILE 10 -7.819 5.259 -9.845 68 HD11 ILE 10 HD11 ILE 10 -6.450 7.481 -10.633 69 HD12 ILE 10 HD12 ILE 10 -7.612 7.496 -9.295 70 HD13 ILE 10 HD13 ILE 10 -6.332 8.720 -9.363 71 H CYS 11 H CYS 11 -3.467 3.016 -9.916 72 HA CYS 11 HA CYS 11 -0.821 3.861 -8.960 73 HB2 CYS 11 HB2 CYS 11 -1.827 1.480 -9.449 74 HB3 CYS 11 HB3 CYS 11 -1.514 1.853 -11.136 75 H SER 12 H SER 12 0.937 4.171 -10.672 76 HA SER 12 HA SER 12 0.039 5.206 -13.286 77 HB2 SER 12 HB2 SER 12 0.118 7.238 -11.923 78 HB3 SER 12 HB3 SER 12 1.776 6.846 -11.426 79 HG SER 12 HG SER 12 1.552 8.361 -13.231 80 H LEU 13 H LEU 13 1.513 5.118 -14.877 81 HA LEU 13 HA LEU 13 3.599 3.129 -14.729 82 HB2 LEU 13 HB2 LEU 13 3.946 3.582 -17.054 83 HB3 LEU 13 HB3 LEU 13 2.232 3.564 -16.704 84 HG LEU 13 HG LEU 13 2.643 6.251 -16.511 85 HD11 LEU 13 HD11 LEU 13 4.167 6.989 -18.296 86 HD12 LEU 13 HD12 LEU 13 4.648 5.309 -18.612 87 HD13 LEU 13 HD13 LEU 13 5.090 6.087 -17.090 88 HD21 LEU 13 HD21 LEU 13 1.870 6.405 -18.847 89 HD22 LEU 13 HD22 LEU 13 0.995 5.162 -17.957 90 HD23 LEU 13 HD23 LEU 13 2.274 4.695 -19.102 91 H TYR 14 H TYR 14 3.630 6.677 -14.454 92 HA TYR 14 HA TYR 14 6.483 7.033 -14.512 93 HB2 TYR 14 HB2 TYR 14 4.968 8.921 -14.724 94 HB3 TYR 14 HB3 TYR 14 4.268 8.545 -13.139 95 HD1 TYR 14 HD1 TYR 14 5.059 9.554 -11.174 96 HD2 TYR 14 HD2 TYR 14 7.511 9.560 -14.728 97 HE1 TYR 14 HE1 TYR 14 6.697 11.033 -10.041 98 HE2 TYR 14 HE2 TYR 14 9.147 11.059 -13.591 99 HH TYR 14 HH TYR 14 8.650 12.213 -10.224 100 H GLN 15 H GLN 15 4.228 6.232 -11.910 101 HA GLN 15 HA GLN 15 6.211 6.411 -9.837 102 HB2 GLN 15 HB2 GLN 15 3.412 5.223 -9.880 103 HB3 GLN 15 HB3 GLN 15 4.382 5.365 -8.429 104 HG2 GLN 15 HG2 GLN 15 3.523 7.736 -10.131 105 HG3 GLN 15 HG3 GLN 15 2.700 7.173 -8.686 106 HE21 GLN 15 HE21 GLN 15 3.355 9.732 -8.508 107 HE22 GLN 15 HE22 GLN 15 4.786 9.948 -7.507 108 H LEU 16 H LEU 16 4.840 3.769 -11.746 109 HA LEU 16 HA LEU 16 6.148 1.558 -10.455 110 HB2 LEU 16 HB2 LEU 16 4.953 2.029 -13.215 111 HB3 LEU 16 HB3 LEU 16 5.593 0.468 -12.744 112 HG LEU 16 HG LEU 16 3.386 1.817 -11.137 113 HD11 LEU 16 HD11 LEU 16 2.572 1.560 -13.425 114 HD12 LEU 16 HD12 LEU 16 1.835 0.315 -12.405 115 HD13 LEU 16 HD13 LEU 16 3.182 -0.106 -13.492 116 HD21 LEU 16 HD21 LEU 16 4.190 -1.101 -11.449 117 HD22 LEU 16 HD22 LEU 16 2.920 -0.452 -10.397 118 HD23 LEU 16 HD23 LEU 16 4.622 -0.078 -10.066 119 H GLU 17 H GLU 17 7.184 3.639 -13.199 120 HA GLU 17 HA GLU 17 9.419 2.179 -14.084 121 HB2 GLU 17 HB2 GLU 17 8.734 5.119 -14.009 122 HB3 GLU 17 HB3 GLU 17 10.341 4.617 -14.543 123 HG2 GLU 17 HG2 GLU 17 9.435 3.203 -16.280 124 HG3 GLU 17 HG3 GLU 17 7.785 3.535 -15.777 125 H ASN 18 H ASN 18 9.132 3.765 -11.026 126 HA ASN 18 HA ASN 18 11.946 4.140 -10.433 127 HB2 ASN 18 HB2 ASN 18 9.450 3.834 -8.703 128 HB3 ASN 18 HB3 ASN 18 11.043 4.244 -8.066 129 HD21 ASN 18 HD21 ASN 18 8.178 5.553 -9.064 130 HD22 ASN 18 HD22 ASN 18 8.750 7.192 -9.386 131 H TYR 19 H TYR 19 10.038 1.211 -10.614 132 HA TYR 19 HA TYR 19 11.792 -0.163 -8.659 133 HB2 TYR 19 HB2 TYR 19 9.000 -0.739 -9.617 134 HB3 TYR 19 HB3 TYR 19 9.945 -1.841 -8.627 135 HD1 TYR 19 HD1 TYR 19 8.480 1.602 -8.700 136 HD2 TYR 19 HD2 TYR 19 10.163 -1.516 -6.251 137 HE1 TYR 19 HE1 TYR 19 7.862 2.866 -6.662 138 HE2 TYR 19 HE2 TYR 19 9.402 -0.328 -4.203 139 HH TYR 19 HH TYR 19 8.763 1.782 -3.396 140 H CYS 20 H CYS 20 11.305 -0.011 -11.960 141 HA CYS 20 HA CYS 20 12.325 -2.509 -12.916 142 HB2 CYS 20 HB2 CYS 20 10.982 -0.926 -14.226 143 HB3 CYS 20 HB3 CYS 20 12.213 0.311 -14.033 144 H LYS 21 H LYS 21 14.334 -3.107 -13.539 145 HA LYS 21 HA LYS 21 16.617 -1.296 -13.387 146 HB2 LYS 21 HB2 LYS 21 16.680 -2.064 -11.124 147 HB3 LYS 21 HB3 LYS 21 16.342 -3.726 -11.607 148 HG2 LYS 21 HG2 LYS 21 18.680 -3.500 -10.938 149 HG3 LYS 21 HG3 LYS 21 18.538 -3.960 -12.618 150 HD2 LYS 21 HD2 LYS 21 18.726 -1.228 -12.916 151 HD3 LYS 21 HD3 LYS 21 19.541 -1.413 -11.376 152 HE2 LYS 21 HE2 LYS 21 21.120 -1.401 -13.222 153 HE3 LYS 21 HE3 LYS 21 21.159 -2.983 -12.424 154 HZ1 LYS 21 HZ1 LYS 21 21.049 -2.928 -14.981 155 HZ2 LYS 21 HZ2 LYS 21 19.450 -2.553 -14.809 156 HZ3 LYS 21 HZ3 LYS 21 20.022 -3.955 -14.232 157 H1 PHE 1 H1 PHE 1 -3.084 5.510 -22.745 158 H2 PHE 1 H2 PHE 1 -3.203 6.998 -22.056 159 H3 PHE 1 H3 PHE 1 -4.560 6.163 -22.414 160 HA PHE 1 HA PHE 1 -4.047 4.488 -20.859 161 HB2 PHE 1 HB2 PHE 1 -2.189 4.932 -19.147 162 HB3 PHE 1 HB3 PHE 1 -1.815 4.243 -20.711 163 HD1 PHE 1 HD1 PHE 1 -0.154 5.210 -22.099 164 HD2 PHE 1 HD2 PHE 1 -1.859 7.546 -18.880 165 HE1 PHE 1 HE1 PHE 1 1.503 7.003 -22.512 166 HE2 PHE 1 HE2 PHE 1 -0.189 9.331 -19.310 167 HZ PHE 1 HZ PHE 1 1.495 9.063 -21.119 168 H VAL 2 H VAL 2 -4.586 4.459 -18.590 169 HA VAL 2 HA VAL 2 -5.392 7.008 -17.410 170 HB VAL 2 HB VAL 2 -7.343 6.265 -18.798 171 HG11 VAL 2 HG11 VAL 2 -7.697 4.126 -16.659 172 HG12 VAL 2 HG12 VAL 2 -8.819 4.509 -17.970 173 HG13 VAL 2 HG13 VAL 2 -7.233 3.817 -18.346 174 HG21 VAL 2 HG21 VAL 2 -7.560 7.841 -16.902 175 HG22 VAL 2 HG22 VAL 2 -9.012 6.861 -17.154 176 HG23 VAL 2 HG23 VAL 2 -7.912 6.469 -15.820 177 H ASN 3 H ASN 3 -5.631 7.006 -15.155 178 HA ASN 3 HA ASN 3 -3.940 5.046 -13.850 179 HB2 ASN 3 HB2 ASN 3 -5.531 7.402 -12.751 180 HB3 ASN 3 HB3 ASN 3 -4.310 6.491 -11.863 181 HD21 ASN 3 HD21 ASN 3 -2.080 6.520 -12.710 182 HD22 ASN 3 HD22 ASN 3 -1.553 7.963 -13.594 183 H GLN 4 H GLN 4 -4.467 3.318 -12.654 184 HA GLN 4 HA GLN 4 -7.244 2.813 -11.729 185 HB2 GLN 4 HB2 GLN 4 -5.611 1.002 -13.562 186 HB3 GLN 4 HB3 GLN 4 -7.056 0.486 -12.717 187 HG2 GLN 4 HG2 GLN 4 -6.933 2.672 -14.847 188 HG3 GLN 4 HG3 GLN 4 -7.477 1.016 -15.081 189 HE21 GLN 4 HE21 GLN 4 -9.131 0.715 -12.677 190 HE22 GLN 4 HE22 GLN 4 -10.499 1.782 -12.929 191 H HIS 5 H HIS 5 -7.396 1.192 -10.084 192 HA HIS 5 HA HIS 5 -5.128 0.799 -8.340 193 HB2 HIS 5 HB2 HIS 5 -7.830 -0.594 -8.570 194 HB3 HIS 5 HB3 HIS 5 -6.615 -1.040 -7.381 195 HD1 HIS 5 HD1 HIS 5 -6.553 0.343 -5.164 196 HD2 HIS 5 HD2 HIS 5 -8.884 1.997 -8.261 197 HE1 HIS 5 HE1 HIS 5 -7.870 2.264 -4.131 198 H LEU 6 H LEU 6 -3.682 -0.800 -8.191 199 HA LEU 6 HA LEU 6 -3.813 -3.262 -9.834 200 HB2 LEU 6 HB2 LEU 6 -1.453 -1.352 -9.794 201 HB3 LEU 6 HB3 LEU 6 -1.425 -2.982 -10.451 202 HG LEU 6 HG LEU 6 -3.092 -0.682 -11.529 203 HD11 LEU 6 HD11 LEU 6 -0.522 -1.989 -12.414 204 HD12 LEU 6 HD12 LEU 6 -0.725 -0.334 -11.822 205 HD13 LEU 6 HD13 LEU 6 -1.422 -0.792 -13.383 206 HD21 LEU 6 HD21 LEU 6 -4.083 -2.943 -12.085 207 HD22 LEU 6 HD22 LEU 6 -2.514 -3.389 -12.812 208 HD23 LEU 6 HD23 LEU 6 -3.479 -2.070 -13.495 209 H CYS 7 H CYS 7 -4.320 -4.224 -7.837 210 HA CYS 7 HA CYS 7 -2.338 -4.113 -5.632 211 HB2 CYS 7 HB2 CYS 7 -4.882 -4.073 -5.279 212 HB3 CYS 7 HB3 CYS 7 -4.877 -5.765 -5.790 213 H GLY 8 H GLY 8 -0.941 -5.766 -5.113 214 HA2 GLY 8 HA2 GLY 8 0.279 -7.721 -5.258 215 HA3 GLY 8 HA3 GLY 8 -1.270 -8.491 -5.581 216 H SER 9 H SER 9 -1.214 -9.727 -7.357 217 HA SER 9 HA SER 9 0.859 -9.881 -9.233 218 HB2 SER 9 HB2 SER 9 -0.788 -11.653 -8.752 219 HB3 SER 9 HB3 SER 9 -2.058 -10.699 -9.535 220 HG SER 9 HG SER 9 -1.138 -12.298 -10.921 221 H HIS 10 H HIS 10 -2.057 -7.826 -9.396 222 HA HIS 10 HA HIS 10 -1.843 -7.055 -12.145 223 HB2 HIS 10 HB2 HIS 10 -3.009 -5.663 -9.705 224 HB3 HIS 10 HB3 HIS 10 -3.128 -5.037 -11.336 225 HD1 HIS 10 HD1 HIS 10 -4.457 -6.688 -13.153 226 HD2 HIS 10 HD2 HIS 10 -5.017 -7.213 -9.014 227 HE1 HIS 10 HE1 HIS 10 -6.687 -7.863 -12.887 228 H LEU 11 H LEU 11 -0.118 -5.863 -9.258 229 HA LEU 11 HA LEU 11 0.975 -3.500 -10.564 230 HB2 LEU 11 HB2 LEU 11 0.827 -3.741 -8.086 231 HB3 LEU 11 HB3 LEU 11 1.906 -5.123 -8.151 232 HG LEU 11 HG LEU 11 3.342 -3.068 -9.493 233 HD11 LEU 11 HD11 LEU 11 2.139 -2.006 -6.920 234 HD12 LEU 11 HD12 LEU 11 1.694 -1.471 -8.558 235 HD13 LEU 11 HD13 LEU 11 3.347 -1.233 -7.973 236 HD21 LEU 11 HD21 LEU 11 3.560 -4.063 -6.631 237 HD22 LEU 11 HD22 LEU 11 4.812 -3.182 -7.536 238 HD23 LEU 11 HD23 LEU 11 4.310 -4.800 -8.060 239 H VAL 12 H VAL 12 2.151 -6.830 -9.898 240 HA VAL 12 HA VAL 12 4.666 -6.572 -11.199 241 HB VAL 12 HB VAL 12 3.225 -9.211 -11.073 242 HG11 VAL 12 HG11 VAL 12 5.416 -9.158 -12.205 243 HG12 VAL 12 HG12 VAL 12 6.143 -8.395 -10.774 244 HG13 VAL 12 HG13 VAL 12 5.519 -10.053 -10.689 245 HG21 VAL 12 HG21 VAL 12 2.906 -8.326 -8.836 246 HG22 VAL 12 HG22 VAL 12 4.223 -9.498 -8.789 247 HG23 VAL 12 HG23 VAL 12 4.593 -7.762 -8.770 248 H GLU 13 H GLU 13 1.516 -7.501 -12.544 249 HA GLU 13 HA GLU 13 2.378 -8.063 -15.208 250 HB2 GLU 13 HB2 GLU 13 0.185 -8.653 -14.267 251 HB3 GLU 13 HB3 GLU 13 -0.240 -6.942 -14.135 252 HG2 GLU 13 HG2 GLU 13 -0.132 -6.717 -16.598 253 HG3 GLU 13 HG3 GLU 13 0.321 -8.421 -16.739 254 H ALA 14 H ALA 14 1.744 -4.941 -13.571 255 HA ALA 14 HA ALA 14 1.957 -3.422 -16.066 256 HB1 ALA 14 HB1 ALA 14 1.883 -2.524 -13.163 257 HB2 ALA 14 HB2 ALA 14 1.662 -1.501 -14.603 258 HB3 ALA 14 HB3 ALA 14 0.479 -2.761 -14.232 259 H LEU 15 H LEU 15 4.112 -4.085 -13.257 260 HA LEU 15 HA LEU 15 6.392 -2.600 -14.185 261 HB2 LEU 15 HB2 LEU 15 6.211 -5.195 -12.581 262 HB3 LEU 15 HB3 LEU 15 7.696 -4.275 -12.815 263 HG LEU 15 HG LEU 15 5.239 -3.119 -11.489 264 HD11 LEU 15 HD11 LEU 15 6.078 -5.001 -10.158 265 HD12 LEU 15 HD12 LEU 15 6.441 -3.459 -9.367 266 HD13 LEU 15 HD13 LEU 15 7.729 -4.338 -10.231 267 HD21 LEU 15 HD21 LEU 15 6.853 -1.432 -12.391 268 HD22 LEU 15 HD22 LEU 15 8.158 -2.221 -11.488 269 HD23 LEU 15 HD23 LEU 15 6.820 -1.431 -10.624 270 H TYR 16 H TYR 16 5.359 -5.923 -14.827 271 HA TYR 16 HA TYR 16 7.346 -6.734 -16.622 272 HB2 TYR 16 HB2 TYR 16 5.951 -8.372 -15.833 273 HB3 TYR 16 HB3 TYR 16 4.495 -7.474 -16.224 274 HD1 TYR 16 HD1 TYR 16 6.921 -9.863 -17.494 275 HD2 TYR 16 HD2 TYR 16 3.594 -7.326 -18.513 276 HE1 TYR 16 HE1 TYR 16 6.630 -11.110 -19.637 277 HE2 TYR 16 HE2 TYR 16 3.297 -8.563 -20.647 278 HH TYR 16 HH TYR 16 4.059 -10.263 -21.993 279 H LEU 17 H LEU 17 4.585 -4.691 -17.385 280 HA LEU 17 HA LEU 17 5.172 -4.672 -20.255 281 HB2 LEU 17 HB2 LEU 17 2.880 -4.641 -19.379 282 HB3 LEU 17 HB3 LEU 17 3.211 -3.156 -18.487 283 HG LEU 17 HG LEU 17 3.553 -1.925 -20.624 284 HD11 LEU 17 HD11 LEU 17 4.203 -3.775 -22.124 285 HD12 LEU 17 HD12 LEU 17 2.756 -2.970 -22.738 286 HD13 LEU 17 HD13 LEU 17 2.604 -4.533 -21.903 287 HD21 LEU 17 HD21 LEU 17 1.178 -1.876 -21.253 288 HD22 LEU 17 HD22 LEU 17 1.374 -1.941 -19.491 289 HD23 LEU 17 HD23 LEU 17 0.903 -3.404 -20.386 290 H VAL 18 H VAL 18 5.563 -2.473 -17.488 291 HA VAL 18 HA VAL 18 6.574 -0.177 -18.898 292 HB VAL 18 HB VAL 18 6.590 -1.182 -16.027 293 HG11 VAL 18 HG11 VAL 18 7.413 1.031 -15.293 294 HG12 VAL 18 HG12 VAL 18 8.647 0.060 -16.095 295 HG13 VAL 18 HG13 VAL 18 7.860 1.399 -16.980 296 HG21 VAL 18 HG21 VAL 18 4.476 -0.246 -17.023 297 HG22 VAL 18 HG22 VAL 18 5.078 0.710 -15.665 298 HG23 VAL 18 HG23 VAL 18 5.332 1.276 -17.329 299 H CYS 19 H CYS 19 8.256 -2.850 -17.160 300 HA CYS 19 HA CYS 19 10.901 -1.778 -17.940 301 HB2 CYS 19 HB2 CYS 19 10.086 -2.637 -15.619 302 HB3 CYS 19 HB3 CYS 19 10.267 -4.248 -16.311 303 H GLY 20 H GLY 20 8.726 -4.379 -18.965 304 HA2 GLY 20 HA2 GLY 20 8.964 -5.879 -20.727 305 HA3 GLY 20 HA3 GLY 20 10.593 -5.276 -21.052 306 H GLU 21 H GLU 21 9.317 -6.542 -18.005 307 HA GLU 21 HA GLU 21 10.021 -8.125 -16.536 308 HB2 GLU 21 HB2 GLU 21 9.058 -9.406 -18.608 309 HB3 GLU 21 HB3 GLU 21 10.728 -9.945 -18.817 310 HG2 GLU 21 HG2 GLU 21 10.637 -10.757 -16.395 311 HG3 GLU 21 HG3 GLU 21 8.941 -10.306 -16.373 312 H ARG 22 H ARG 22 12.163 -6.262 -17.624 313 HA ARG 22 HA ARG 22 14.559 -7.725 -17.978 314 HB2 ARG 22 HB2 ARG 22 14.063 -5.405 -18.779 315 HB3 ARG 22 HB3 ARG 22 14.337 -4.818 -17.128 316 HG2 ARG 22 HG2 ARG 22 16.670 -5.687 -17.218 317 HG3 ARG 22 HG3 ARG 22 16.358 -6.330 -18.838 318 HD2 ARG 22 HD2 ARG 22 17.545 -4.289 -19.114 319 HD3 ARG 22 HD3 ARG 22 15.882 -3.995 -19.623 320 HE ARG 22 HE ARG 22 16.998 -3.216 -16.922 321 HH11 ARG 22 HH11 ARG 22 16.735 -1.306 -16.225 322 HH12 ARG 22 HH12 ARG 22 15.705 -0.112 -17.023 323 HH21 ARG 22 HH21 ARG 22 14.864 -2.305 -19.566 324 HH22 ARG 22 HH22 ARG 22 14.662 -0.699 -18.924 325 H GLY 23 H GLY 23 13.319 -6.266 -14.941 326 HA2 GLY 23 HA2 GLY 23 14.667 -8.101 -13.253 327 HA3 GLY 23 HA3 GLY 23 15.798 -6.778 -13.544 328 H PHE 24 H PHE 24 12.297 -6.221 -13.042 329 HA PHE 24 HA PHE 24 12.865 -4.361 -10.973 330 HB2 PHE 24 HB2 PHE 24 10.296 -4.495 -10.544 331 HB3 PHE 24 HB3 PHE 24 10.945 -3.771 -11.987 332 HD1 PHE 24 HD1 PHE 24 10.477 -4.558 -14.091 333 HD2 PHE 24 HD2 PHE 24 9.401 -6.929 -10.689 334 HE1 PHE 24 HE1 PHE 24 9.249 -6.143 -15.591 335 HE2 PHE 24 HE2 PHE 24 8.164 -8.510 -12.160 336 HZ PHE 24 HZ PHE 24 8.092 -8.127 -14.610 337 H PHE 25 H PHE 25 12.213 -4.142 -8.875 338 HA PHE 25 HA PHE 25 11.406 -6.538 -7.415 339 HB2 PHE 25 HB2 PHE 25 13.659 -6.898 -7.060 340 HB3 PHE 25 HB3 PHE 25 13.988 -5.192 -6.772 341 HD1 PHE 25 HD1 PHE 25 12.340 -8.208 -5.311 342 HD2 PHE 25 HD2 PHE 25 13.825 -4.225 -4.581 343 HE1 PHE 25 HE1 PHE 25 12.094 -8.565 -2.868 344 HE2 PHE 25 HE2 PHE 25 13.583 -4.592 -2.132 345 HZ PHE 25 HZ PHE 25 12.723 -6.764 -1.276 346 H TYR 26 H TYR 26 9.512 -6.034 -6.662 347 HA TYR 26 HA TYR 26 8.827 -3.306 -6.190 348 HB2 TYR 26 HB2 TYR 26 6.501 -4.267 -5.749 349 HB3 TYR 26 HB3 TYR 26 7.229 -4.297 -7.333 350 HD1 TYR 26 HD1 TYR 26 7.786 -6.351 -8.469 351 HD2 TYR 26 HD2 TYR 26 6.337 -6.392 -4.408 352 HE1 TYR 26 HE1 TYR 26 7.469 -8.825 -8.607 353 HE2 TYR 26 HE2 TYR 26 6.000 -8.861 -4.553 354 HH TYR 26 HH TYR 26 6.172 -10.730 -5.862 355 H THR 27 H THR 27 10.503 -4.872 -4.030 356 HA THR 27 HA THR 27 10.634 -5.039 -1.810 357 HB THR 27 HB THR 27 9.566 -2.280 -1.549 358 HG1 THR 27 HG1 THR 27 10.861 -2.391 -3.421 359 HG21 THR 27 HG21 THR 27 11.504 -2.041 -0.027 360 HG22 THR 27 HG22 THR 27 12.001 -3.715 -0.363 361 HG23 THR 27 HG23 THR 27 10.476 -3.379 0.499 362 HA PRO 28 HA PRO 28 6.168 -6.104 -0.921 363 HB2 PRO 28 HB2 PRO 28 6.517 -8.793 -0.505 364 HB3 PRO 28 HB3 PRO 28 6.197 -8.063 -2.111 365 HG2 PRO 28 HG2 PRO 28 8.886 -8.825 -0.918 366 HG3 PRO 28 HG3 PRO 28 8.245 -9.212 -2.550 367 HD2 PRO 28 HD2 PRO 28 9.917 -7.126 -2.155 368 HD3 PRO 28 HD3 PRO 28 8.558 -7.003 -3.300 369 H LYS 29 H LYS 29 5.353 -6.292 1.124 370 HA LYS 29 HA LYS 29 7.066 -5.457 3.235 371 HB2 LYS 29 HB2 LYS 29 4.705 -4.802 2.887 372 HB3 LYS 29 HB3 LYS 29 4.178 -6.417 3.382 373 HG2 LYS 29 HG2 LYS 29 5.145 -6.075 5.623 374 HG3 LYS 29 HG3 LYS 29 5.777 -4.496 5.136 375 HD2 LYS 29 HD2 LYS 29 2.826 -5.270 5.290 376 HD3 LYS 29 HD3 LYS 29 3.709 -4.302 6.481 377 HE2 LYS 29 HE2 LYS 29 4.199 -2.603 4.696 378 HE3 LYS 29 HE3 LYS 29 3.215 -3.539 3.566 379 HZ1 LYS 29 HZ1 LYS 29 2.234 -2.223 6.036 380 HZ2 LYS 29 HZ2 LYS 29 1.314 -3.195 5.085 381 HZ3 LYS 29 HZ3 LYS 29 1.900 -1.795 4.485 382 H THR 30 H THR 30 8.248 -6.506 4.650 383 HA THR 30 HA THR 30 8.267 -9.407 4.723 384 HB THR 30 HB THR 30 10.326 -9.346 5.722 385 HG1 THR 30 HG1 THR 30 11.131 -7.540 6.791 386 HG21 THR 30 HG21 THR 30 10.358 -8.303 3.421 387 HG22 THR 30 HG22 THR 30 11.703 -7.825 4.472 388 HG23 THR 30 HG23 THR 30 10.361 -6.701 4.192 389 H LYS 31 H LYS 31 6.668 -7.175 6.691 390 HA LYS 31 HA LYS 31 6.815 -8.496 9.237 391 HB2 LYS 31 HB2 LYS 31 4.690 -6.618 8.122 392 HB3 LYS 31 HB3 LYS 31 4.804 -7.147 9.804 393 HG2 LYS 31 HG2 LYS 31 7.078 -6.130 9.973 394 HG3 LYS 31 HG3 LYS 31 6.934 -5.553 8.312 395 HD2 LYS 31 HD2 LYS 31 6.440 -3.725 9.787 396 HD3 LYS 31 HD3 LYS 31 4.945 -4.182 8.964 397 HE2 LYS 31 HE2 LYS 31 4.215 -5.444 10.974 398 HE3 LYS 31 HE3 LYS 31 5.741 -5.066 11.775 399 HZ1 LYS 31 HZ1 LYS 31 3.732 -3.043 10.929 400 HZ2 LYS 31 HZ2 LYS 31 5.142 -2.706 11.684 401 HZ3 LYS 31 HZ3 LYS 31 3.975 -3.542 12.464 402 H ARG 32 H ARG 32 5.481 -9.862 10.299 403 HA ARG 32 HA ARG 32 4.058 -11.890 8.790 404 HB2 ARG 32 HB2 ARG 32 5.378 -12.470 10.760 405 HB3 ARG 32 HB3 ARG 32 4.428 -11.379 11.769 406 HG2 ARG 32 HG2 ARG 32 3.807 -13.706 12.171 407 HG3 ARG 32 HG3 ARG 32 2.452 -12.783 11.549 408 HD2 ARG 32 HD2 ARG 32 3.017 -13.759 9.223 409 HD3 ARG 32 HD3 ARG 32 4.191 -14.781 10.040 410 HE ARG 32 HE ARG 32 2.469 -16.090 10.887 411 HH11 ARG 32 HH11 ARG 32 0.974 -13.182 9.518 412 HH12 ARG 32 HH12 ARG 32 -0.605 -13.933 9.525 413 HH21 ARG 32 HH21 ARG 32 0.421 -16.913 10.877 414 HH22 ARG 32 HH22 ARG 32 -0.901 -15.967 10.255 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 5.585 2.064 -0.588 2 H2 GLY 1 H2 GLY 1 6.689 2.294 -1.782 3 H3 GLY 1 H3 GLY 1 7.162 1.714 -0.325 4 HA2 GLY 1 HA2 GLY 1 7.105 -0.086 -1.925 5 HA3 GLY 1 HA3 GLY 1 5.900 -0.311 -0.639 6 H ILE 2 H ILE 2 6.408 0.115 -4.022 7 HA ILE 2 HA ILE 2 3.960 1.127 -4.866 8 HB ILE 2 HB ILE 2 6.092 0.821 -6.124 9 HG12 ILE 2 HG12 ILE 2 5.188 0.555 -8.337 10 HG13 ILE 2 HG13 ILE 2 3.656 -0.044 -7.681 11 HG21 ILE 2 HG21 ILE 2 6.440 -1.630 -5.701 12 HG22 ILE 2 HG22 ILE 2 5.077 -1.977 -6.774 13 HG23 ILE 2 HG23 ILE 2 6.525 -1.196 -7.414 14 HD11 ILE 2 HD11 ILE 2 4.862 2.678 -7.033 15 HD12 ILE 2 HD12 ILE 2 3.728 2.404 -8.370 16 HD13 ILE 2 HD13 ILE 2 3.197 2.138 -6.704 17 H VAL 3 H VAL 3 4.736 -2.178 -4.012 18 HA VAL 3 HA VAL 3 2.495 -3.608 -4.882 19 HB VAL 3 HB VAL 3 4.655 -4.415 -3.828 20 HG11 VAL 3 HG11 VAL 3 4.701 -4.842 -1.429 21 HG12 VAL 3 HG12 VAL 3 4.551 -3.111 -1.712 22 HG13 VAL 3 HG13 VAL 3 3.138 -4.057 -1.199 23 HG21 VAL 3 HG21 VAL 3 3.675 -6.475 -2.973 24 HG22 VAL 3 HG22 VAL 3 2.087 -5.694 -2.838 25 HG23 VAL 3 HG23 VAL 3 2.832 -5.942 -4.435 26 H GLU 4 H GLU 4 2.639 -1.315 -2.249 27 HA GLU 4 HA GLU 4 -0.188 -1.926 -1.528 28 HB2 GLU 4 HB2 GLU 4 1.497 -1.946 0.315 29 HB3 GLU 4 HB3 GLU 4 1.889 -0.277 -0.062 30 HG2 GLU 4 HG2 GLU 4 0.488 -0.177 1.809 31 HG3 GLU 4 HG3 GLU 4 -0.525 0.332 0.471 32 H GLN 5 H GLN 5 1.986 0.751 -2.568 33 HA GLN 5 HA GLN 5 0.123 2.831 -2.500 34 HB2 GLN 5 HB2 GLN 5 2.603 3.012 -2.935 35 HB3 GLN 5 HB3 GLN 5 2.287 2.446 -4.578 36 HG2 GLN 5 HG2 GLN 5 0.656 4.481 -4.763 37 HG3 GLN 5 HG3 GLN 5 1.467 5.075 -3.323 38 HE21 GLN 5 HE21 GLN 5 4.055 5.101 -3.591 39 HE22 GLN 5 HE22 GLN 5 4.616 5.544 -5.202 40 H CYS 6 H CYS 6 0.687 0.583 -5.276 41 HA CYS 6 HA CYS 6 -1.412 1.773 -6.910 42 HB2 CYS 6 HB2 CYS 6 0.024 -0.900 -7.019 43 HB3 CYS 6 HB3 CYS 6 -1.096 -0.318 -8.235 44 H CYS 7 H CYS 7 -1.510 -0.462 -4.264 45 HA CYS 7 HA CYS 7 -3.923 -1.886 -5.221 46 HB2 CYS 7 HB2 CYS 7 -2.007 -3.080 -4.258 47 HB3 CYS 7 HB3 CYS 7 -2.187 -2.211 -2.742 48 H THR 8 H THR 8 -2.927 0.088 -2.409 49 HA THR 8 HA THR 8 -5.682 0.432 -1.489 50 HB THR 8 HB THR 8 -3.624 0.086 -0.019 51 HG1 THR 8 HG1 THR 8 -4.655 1.217 1.603 52 HG21 THR 8 HG21 THR 8 -3.500 3.135 -0.188 53 HG22 THR 8 HG22 THR 8 -2.304 2.053 -0.932 54 HG23 THR 8 HG23 THR 8 -2.516 2.058 0.824 55 H SER 9 H SER 9 -3.634 2.213 -3.561 56 HA SER 9 HA SER 9 -5.671 4.331 -3.910 57 HB2 SER 9 HB2 SER 9 -3.959 5.139 -2.234 58 HB3 SER 9 HB3 SER 9 -2.721 4.963 -3.495 59 HG SER 9 HG SER 9 -3.636 7.105 -3.340 60 H ILE 10 H ILE 10 -4.463 5.800 -5.838 61 HA ILE 10 HA ILE 10 -3.855 3.832 -7.991 62 HB ILE 10 HB ILE 10 -4.122 6.326 -9.242 63 HG12 ILE 10 HG12 ILE 10 -6.517 5.931 -7.402 64 HG13 ILE 10 HG13 ILE 10 -5.315 7.223 -7.258 65 HG21 ILE 10 HG21 ILE 10 -4.638 4.071 -10.110 66 HG22 ILE 10 HG22 ILE 10 -6.075 3.999 -9.062 67 HG23 ILE 10 HG23 ILE 10 -5.972 5.180 -10.382 68 HD11 ILE 10 HD11 ILE 10 -7.231 8.128 -8.367 69 HD12 ILE 10 HD12 ILE 10 -5.936 7.988 -9.579 70 HD13 ILE 10 HD13 ILE 10 -7.270 6.805 -9.542 71 H CYS 11 H CYS 11 -2.185 4.277 -9.510 72 HA CYS 11 HA CYS 11 0.140 5.824 -8.470 73 HB2 CYS 11 HB2 CYS 11 1.523 3.870 -8.516 74 HB3 CYS 11 HB3 CYS 11 0.123 3.521 -7.517 75 H SER 12 H SER 12 2.083 5.263 -10.210 76 HA SER 12 HA SER 12 0.984 5.601 -12.964 77 HB2 SER 12 HB2 SER 12 2.390 7.483 -13.367 78 HB3 SER 12 HB3 SER 12 1.518 7.811 -11.860 79 HG SER 12 HG SER 12 3.664 8.305 -11.533 80 H LEU 13 H LEU 13 2.589 5.350 -14.679 81 HA LEU 13 HA LEU 13 4.299 3.086 -14.391 82 HB2 LEU 13 HB2 LEU 13 4.909 3.442 -16.627 83 HB3 LEU 13 HB3 LEU 13 3.236 3.924 -16.488 84 HG LEU 13 HG LEU 13 4.357 6.379 -16.187 85 HD11 LEU 13 HD11 LEU 13 6.275 6.634 -17.704 86 HD12 LEU 13 HD12 LEU 13 6.343 4.882 -17.964 87 HD13 LEU 13 HD13 LEU 13 6.727 5.571 -16.380 88 HD21 LEU 13 HD21 LEU 13 4.046 6.712 -18.609 89 HD22 LEU 13 HD22 LEU 13 2.732 5.760 -17.906 90 HD23 LEU 13 HD23 LEU 13 4.000 4.951 -18.849 91 H TYR 14 H TYR 14 4.949 6.545 -13.871 92 HA TYR 14 HA TYR 14 7.816 6.237 -13.713 93 HB2 TYR 14 HB2 TYR 14 5.955 8.414 -12.731 94 HB3 TYR 14 HB3 TYR 14 7.710 8.486 -12.605 95 HD1 TYR 14 HD1 TYR 14 4.916 9.181 -14.729 96 HD2 TYR 14 HD2 TYR 14 9.104 8.149 -14.797 97 HE1 TYR 14 HE1 TYR 14 5.080 10.023 -17.066 98 HE2 TYR 14 HE2 TYR 14 9.272 9.001 -17.133 99 HH TYR 14 HH TYR 14 6.445 10.360 -18.872 100 H GLN 15 H GLN 15 5.257 6.043 -11.281 101 HA GLN 15 HA GLN 15 7.027 5.601 -9.031 102 HB2 GLN 15 HB2 GLN 15 4.106 4.942 -9.548 103 HB3 GLN 15 HB3 GLN 15 4.909 4.644 -8.012 104 HG2 GLN 15 HG2 GLN 15 4.804 7.404 -9.296 105 HG3 GLN 15 HG3 GLN 15 3.561 6.802 -8.209 106 HE21 GLN 15 HE21 GLN 15 5.329 9.130 -7.802 107 HE22 GLN 15 HE22 GLN 15 6.199 8.776 -6.309 108 H LEU 16 H LEU 16 5.481 3.390 -11.405 109 HA LEU 16 HA LEU 16 6.520 0.967 -10.219 110 HB2 LEU 16 HB2 LEU 16 5.443 1.716 -12.956 111 HB3 LEU 16 HB3 LEU 16 5.964 0.080 -12.601 112 HG LEU 16 HG LEU 16 3.866 1.438 -10.872 113 HD11 LEU 16 HD11 LEU 16 3.411 -0.111 -13.452 114 HD12 LEU 16 HD12 LEU 16 3.010 1.589 -13.147 115 HD13 LEU 16 HD13 LEU 16 2.144 0.320 -12.276 116 HD21 LEU 16 HD21 LEU 16 3.190 -0.850 -10.394 117 HD22 LEU 16 HD22 LEU 16 4.946 -0.761 -10.155 118 HD23 LEU 16 HD23 LEU 16 4.299 -1.488 -11.631 119 H GLU 17 H GLU 17 7.852 3.106 -12.797 120 HA GLU 17 HA GLU 17 10.041 1.543 -13.594 121 HB2 GLU 17 HB2 GLU 17 9.563 4.522 -13.485 122 HB3 GLU 17 HB3 GLU 17 11.163 3.906 -13.883 123 HG2 GLU 17 HG2 GLU 17 10.151 2.499 -15.694 124 HG3 GLU 17 HG3 GLU 17 8.618 3.316 -15.413 125 H ASN 18 H ASN 18 9.662 2.985 -10.485 126 HA ASN 18 HA ASN 18 12.519 3.146 -9.844 127 HB2 ASN 18 HB2 ASN 18 9.933 3.549 -8.319 128 HB3 ASN 18 HB3 ASN 18 11.451 3.368 -7.455 129 HD21 ASN 18 HD21 ASN 18 9.809 5.470 -9.910 130 HD22 ASN 18 HD22 ASN 18 10.861 6.820 -9.544 131 H TYR 19 H TYR 19 10.475 0.490 -10.227 132 HA TYR 19 HA TYR 19 11.844 -1.086 -8.128 133 HB2 TYR 19 HB2 TYR 19 9.103 -1.346 -9.326 134 HB3 TYR 19 HB3 TYR 19 9.836 -2.572 -8.304 135 HD1 TYR 19 HD1 TYR 19 8.848 1.036 -8.382 136 HD2 TYR 19 HD2 TYR 19 9.788 -2.365 -5.908 137 HE1 TYR 19 HE1 TYR 19 8.189 2.317 -6.392 138 HE2 TYR 19 HE2 TYR 19 8.954 -1.135 -3.913 139 HH TYR 19 HH TYR 19 8.129 2.338 -4.048 140 H CYS 20 H CYS 20 12.133 -0.797 -11.348 141 HA CYS 20 HA CYS 20 12.424 -3.351 -12.414 142 HB2 CYS 20 HB2 CYS 20 13.803 -0.780 -13.224 143 HB3 CYS 20 HB3 CYS 20 13.482 -2.167 -14.250 144 H LYS 21 H LYS 21 13.858 -3.570 -9.987 145 HA LYS 21 HA LYS 21 16.679 -3.489 -10.090 146 HB2 LYS 21 HB2 LYS 21 15.327 -3.823 -8.098 147 HB3 LYS 21 HB3 LYS 21 14.750 -5.374 -8.670 148 HG2 LYS 21 HG2 LYS 21 17.698 -4.779 -8.127 149 HG3 LYS 21 HG3 LYS 21 16.592 -5.284 -6.872 150 HD2 LYS 21 HD2 LYS 21 17.515 -6.968 -9.224 151 HD3 LYS 21 HD3 LYS 21 17.876 -7.157 -7.527 152 HE2 LYS 21 HE2 LYS 21 16.194 -8.641 -7.446 153 HE3 LYS 21 HE3 LYS 21 15.130 -7.233 -7.447 154 HZ1 LYS 21 HZ1 LYS 21 15.875 -8.948 -9.734 155 HZ2 LYS 21 HZ2 LYS 21 15.278 -7.456 -10.001 156 HZ3 LYS 21 HZ3 LYS 21 14.364 -8.577 -9.207 157 H1 PHE 1 H1 PHE 1 -9.222 12.246 -18.981 158 H2 PHE 1 H2 PHE 1 -9.916 11.059 -19.859 159 H3 PHE 1 H3 PHE 1 -8.653 11.904 -20.475 160 HA PHE 1 HA PHE 1 -7.978 9.749 -19.810 161 HB2 PHE 1 HB2 PHE 1 -6.733 12.039 -18.332 162 HB3 PHE 1 HB3 PHE 1 -6.138 10.404 -18.152 163 HD1 PHE 1 HD1 PHE 1 -6.068 13.337 -20.262 164 HD2 PHE 1 HD2 PHE 1 -5.456 9.060 -20.247 165 HE1 PHE 1 HE1 PHE 1 -4.766 13.507 -22.366 166 HE2 PHE 1 HE2 PHE 1 -4.148 9.243 -22.342 167 HZ PHE 1 HZ PHE 1 -3.798 11.465 -23.408 168 H VAL 2 H VAL 2 -7.392 8.176 -18.223 169 HA VAL 2 HA VAL 2 -8.847 8.228 -15.690 170 HB VAL 2 HB VAL 2 -10.469 7.425 -17.459 171 HG11 VAL 2 HG11 VAL 2 -8.928 5.972 -18.747 172 HG12 VAL 2 HG12 VAL 2 -8.823 4.863 -17.356 173 HG13 VAL 2 HG13 VAL 2 -10.372 5.115 -18.182 174 HG21 VAL 2 HG21 VAL 2 -9.965 5.448 -15.202 175 HG22 VAL 2 HG22 VAL 2 -10.777 7.024 -15.021 176 HG23 VAL 2 HG23 VAL 2 -11.483 5.770 -16.054 177 H ASN 3 H ASN 3 -8.284 6.535 -14.207 178 HA ASN 3 HA ASN 3 -5.881 4.927 -14.815 179 HB2 ASN 3 HB2 ASN 3 -5.225 7.257 -13.953 180 HB3 ASN 3 HB3 ASN 3 -5.976 6.811 -12.421 181 HD21 ASN 3 HD21 ASN 3 -3.573 7.410 -11.896 182 HD22 ASN 3 HD22 ASN 3 -2.450 6.051 -11.912 183 H GLN 4 H GLN 4 -5.476 3.277 -13.149 184 HA GLN 4 HA GLN 4 -7.806 2.517 -11.486 185 HB2 GLN 4 HB2 GLN 4 -8.279 1.774 -13.807 186 HB3 GLN 4 HB3 GLN 4 -6.753 0.896 -13.848 187 HG2 GLN 4 HG2 GLN 4 -8.653 -0.602 -13.491 188 HG3 GLN 4 HG3 GLN 4 -7.548 -0.664 -12.123 189 HE21 GLN 4 HE21 GLN 4 -10.654 0.846 -13.220 190 HE22 GLN 4 HE22 GLN 4 -11.272 1.069 -11.586 191 H HIS 5 H HIS 5 -7.437 0.893 -9.974 192 HA HIS 5 HA HIS 5 -4.856 0.797 -8.752 193 HB2 HIS 5 HB2 HIS 5 -7.271 -1.010 -8.348 194 HB3 HIS 5 HB3 HIS 5 -5.921 -0.822 -7.230 195 HD1 HIS 5 HD1 HIS 5 -5.659 1.896 -6.319 196 HD2 HIS 5 HD2 HIS 5 -9.342 0.469 -7.775 197 HE1 HIS 5 HE1 HIS 5 -7.456 3.474 -5.406 198 H LEU 6 H LEU 6 -3.493 -0.955 -8.363 199 HA LEU 6 HA LEU 6 -3.695 -3.432 -9.983 200 HB2 LEU 6 HB2 LEU 6 -1.132 -1.832 -9.755 201 HB3 LEU 6 HB3 LEU 6 -1.320 -3.380 -10.544 202 HG LEU 6 HG LEU 6 -2.746 -0.862 -11.515 203 HD11 LEU 6 HD11 LEU 6 -0.042 -1.982 -12.255 204 HD12 LEU 6 HD12 LEU 6 -0.396 -0.402 -11.529 205 HD13 LEU 6 HD13 LEU 6 -0.911 -0.733 -13.189 206 HD21 LEU 6 HD21 LEU 6 -2.893 -2.070 -13.636 207 HD22 LEU 6 HD22 LEU 6 -3.651 -3.035 -12.364 208 HD23 LEU 6 HD23 LEU 6 -2.022 -3.454 -12.950 209 H CYS 7 H CYS 7 -3.509 -5.129 -8.619 210 HA CYS 7 HA CYS 7 -1.721 -4.987 -6.254 211 HB2 CYS 7 HB2 CYS 7 -4.103 -4.181 -5.730 212 HB3 CYS 7 HB3 CYS 7 -4.614 -5.857 -5.971 213 H GLY 8 H GLY 8 -0.935 -7.057 -5.665 214 HA2 GLY 8 HA2 GLY 8 -0.302 -9.264 -6.005 215 HA3 GLY 8 HA3 GLY 8 -1.923 -9.561 -6.634 216 H SER 9 H SER 9 -1.612 -10.655 -8.517 217 HA SER 9 HA SER 9 0.644 -10.537 -10.206 218 HB2 SER 9 HB2 SER 9 -0.759 -11.774 -11.815 219 HB3 SER 9 HB3 SER 9 -0.868 -12.423 -10.168 220 HG SER 9 HG SER 9 -2.932 -12.220 -11.165 221 H HIS 10 H HIS 10 -2.253 -8.487 -10.306 222 HA HIS 10 HA HIS 10 -1.930 -7.340 -12.898 223 HB2 HIS 10 HB2 HIS 10 -3.050 -6.276 -10.284 224 HB3 HIS 10 HB3 HIS 10 -3.024 -5.315 -11.746 225 HD1 HIS 10 HD1 HIS 10 -4.571 -6.164 -13.815 226 HD2 HIS 10 HD2 HIS 10 -5.041 -8.034 -10.078 227 HE1 HIS 10 HE1 HIS 10 -6.832 -7.320 -13.888 228 H LEU 11 H LEU 11 -0.279 -6.554 -9.828 229 HA LEU 11 HA LEU 11 0.984 -4.140 -10.824 230 HB2 LEU 11 HB2 LEU 11 0.513 -4.604 -8.435 231 HB3 LEU 11 HB3 LEU 11 1.630 -5.965 -8.473 232 HG LEU 11 HG LEU 11 3.126 -3.731 -9.479 233 HD11 LEU 11 HD11 LEU 11 2.916 -2.113 -7.695 234 HD12 LEU 11 HD12 LEU 11 1.562 -3.021 -6.982 235 HD13 LEU 11 HD13 LEU 11 1.396 -2.276 -8.590 236 HD21 LEU 11 HD21 LEU 11 4.450 -4.054 -7.463 237 HD22 LEU 11 HD22 LEU 11 4.020 -5.610 -8.170 238 HD23 LEU 11 HD23 LEU 11 3.150 -5.035 -6.733 239 H VAL 12 H VAL 12 2.037 -7.555 -10.411 240 HA VAL 12 HA VAL 12 4.671 -7.156 -11.457 241 HB VAL 12 HB VAL 12 3.262 -9.808 -11.739 242 HG11 VAL 12 HG11 VAL 12 5.515 -10.676 -11.234 243 HG12 VAL 12 HG12 VAL 12 5.558 -9.584 -12.621 244 HG13 VAL 12 HG13 VAL 12 6.125 -9.021 -11.033 245 HG21 VAL 12 HG21 VAL 12 2.685 -9.210 -9.479 246 HG22 VAL 12 HG22 VAL 12 4.036 -10.337 -9.410 247 HG23 VAL 12 HG23 VAL 12 4.326 -8.600 -9.163 248 H GLU 13 H GLU 13 1.629 -7.967 -13.092 249 HA GLU 13 HA GLU 13 2.686 -8.241 -15.742 250 HB2 GLU 13 HB2 GLU 13 0.434 -8.989 -15.061 251 HB3 GLU 13 HB3 GLU 13 -0.021 -7.328 -14.702 252 HG2 GLU 13 HG2 GLU 13 -1.037 -7.900 -16.749 253 HG3 GLU 13 HG3 GLU 13 0.210 -6.726 -17.109 254 H ALA 14 H ALA 14 1.819 -5.332 -13.826 255 HA ALA 14 HA ALA 14 2.176 -3.515 -16.071 256 HB1 ALA 14 HB1 ALA 14 0.707 -3.029 -14.165 257 HB2 ALA 14 HB2 ALA 14 2.113 -2.959 -13.082 258 HB3 ALA 14 HB3 ALA 14 1.942 -1.777 -14.396 259 H LEU 15 H LEU 15 4.269 -4.444 -13.264 260 HA LEU 15 HA LEU 15 6.564 -2.903 -13.967 261 HB2 LEU 15 HB2 LEU 15 6.338 -5.653 -12.658 262 HB3 LEU 15 HB3 LEU 15 7.837 -4.743 -12.762 263 HG LEU 15 HG LEU 15 5.365 -3.635 -11.419 264 HD11 LEU 15 HD11 LEU 15 6.368 -4.282 -9.274 265 HD12 LEU 15 HD12 LEU 15 7.698 -5.108 -10.127 266 HD13 LEU 15 HD13 LEU 15 6.026 -5.701 -10.265 267 HD21 LEU 15 HD21 LEU 15 8.319 -2.929 -11.197 268 HD22 LEU 15 HD22 LEU 15 7.007 -2.170 -10.273 269 HD23 LEU 15 HD23 LEU 15 7.082 -1.960 -12.028 270 H TYR 16 H TYR 16 5.614 -6.166 -14.960 271 HA TYR 16 HA TYR 16 7.713 -6.782 -16.691 272 HB2 TYR 16 HB2 TYR 16 6.267 -8.500 -16.131 273 HB3 TYR 16 HB3 TYR 16 4.848 -7.605 -16.625 274 HD1 TYR 16 HD1 TYR 16 4.150 -7.405 -18.949 275 HD2 TYR 16 HD2 TYR 16 7.603 -9.714 -17.795 276 HE1 TYR 16 HE1 TYR 16 4.184 -8.480 -21.205 277 HE2 TYR 16 HE2 TYR 16 7.635 -10.801 -20.041 278 HH TYR 16 HH TYR 16 6.630 -10.939 -22.103 279 H LEU 17 H LEU 17 5.030 -4.673 -17.488 280 HA LEU 17 HA LEU 17 5.865 -4.431 -20.309 281 HB2 LEU 17 HB2 LEU 17 3.492 -4.639 -19.747 282 HB3 LEU 17 HB3 LEU 17 3.600 -3.266 -18.651 283 HG LEU 17 HG LEU 17 4.058 -1.742 -20.566 284 HD11 LEU 17 HD11 LEU 17 3.549 -4.234 -22.265 285 HD12 LEU 17 HD12 LEU 17 5.072 -3.320 -22.172 286 HD13 LEU 17 HD13 LEU 17 3.636 -2.563 -22.873 287 HD21 LEU 17 HD21 LEU 17 1.567 -3.459 -20.886 288 HD22 LEU 17 HD22 LEU 17 1.788 -1.804 -21.484 289 HD23 LEU 17 HD23 LEU 17 1.764 -2.112 -19.741 290 H VAL 18 H VAL 18 5.711 -2.441 -17.365 291 HA VAL 18 HA VAL 18 6.592 0.035 -18.549 292 HB VAL 18 HB VAL 18 6.355 -1.014 -15.701 293 HG11 VAL 18 HG11 VAL 18 7.165 1.778 -16.573 294 HG12 VAL 18 HG12 VAL 18 6.613 1.332 -14.944 295 HG13 VAL 18 HG13 VAL 18 8.107 0.648 -15.567 296 HG21 VAL 18 HG21 VAL 18 4.799 1.095 -17.280 297 HG22 VAL 18 HG22 VAL 18 4.238 -0.553 -16.950 298 HG23 VAL 18 HG23 VAL 18 4.458 0.583 -15.613 299 H CYS 19 H CYS 19 8.343 -2.440 -16.559 300 HA CYS 19 HA CYS 19 10.932 -1.148 -16.954 301 HB2 CYS 19 HB2 CYS 19 10.247 -3.969 -16.037 302 HB3 CYS 19 HB3 CYS 19 11.808 -3.193 -15.885 303 H GLY 20 H GLY 20 9.097 -3.775 -18.526 304 HA2 GLY 20 HA2 GLY 20 9.450 -4.737 -20.654 305 HA3 GLY 20 HA3 GLY 20 10.981 -3.871 -20.818 306 H GLU 21 H GLU 21 9.512 -6.249 -18.620 307 HA GLU 21 HA GLU 21 10.287 -8.006 -17.443 308 HB2 GLU 21 HB2 GLU 21 10.803 -9.907 -18.773 309 HB3 GLU 21 HB3 GLU 21 9.554 -8.925 -19.529 310 HG2 GLU 21 HG2 GLU 21 11.074 -8.086 -21.197 311 HG3 GLU 21 HG3 GLU 21 12.467 -8.815 -20.389 312 H ARG 22 H ARG 22 12.296 -5.884 -17.292 313 HA ARG 22 HA ARG 22 14.936 -6.910 -17.416 314 HB2 ARG 22 HB2 ARG 22 13.785 -4.727 -15.625 315 HB3 ARG 22 HB3 ARG 22 15.511 -5.059 -15.820 316 HG2 ARG 22 HG2 ARG 22 15.356 -4.594 -18.255 317 HG3 ARG 22 HG3 ARG 22 13.630 -4.273 -18.080 318 HD2 ARG 22 HD2 ARG 22 14.227 -2.450 -16.415 319 HD3 ARG 22 HD3 ARG 22 15.921 -2.711 -16.844 320 HE ARG 22 HE ARG 22 13.746 -1.923 -18.776 321 HH11 ARG 22 HH11 ARG 22 17.073 -1.424 -17.744 322 HH12 ARG 22 HH12 ARG 22 17.353 -0.215 -18.967 323 HH21 ARG 22 HH21 ARG 22 14.191 -0.410 -20.301 324 HH22 ARG 22 HH22 ARG 22 15.764 0.334 -20.385 325 H GLY 23 H GLY 23 12.634 -7.184 -14.764 326 HA2 GLY 23 HA2 GLY 23 13.236 -9.574 -13.788 327 HA3 GLY 23 HA3 GLY 23 14.572 -8.675 -13.069 328 H PHE 24 H PHE 24 13.621 -6.419 -12.159 329 HA PHE 24 HA PHE 24 12.737 -5.437 -10.483 330 HB2 PHE 24 HB2 PHE 24 10.115 -5.522 -10.272 331 HB3 PHE 24 HB3 PHE 24 10.987 -4.624 -11.477 332 HD1 PHE 24 HD1 PHE 24 10.894 -5.112 -13.756 333 HD2 PHE 24 HD2 PHE 24 9.052 -7.742 -10.891 334 HE1 PHE 24 HE1 PHE 24 9.825 -6.392 -15.627 335 HE2 PHE 24 HE2 PHE 24 7.962 -9.010 -12.750 336 HZ PHE 24 HZ PHE 24 8.383 -8.364 -15.103 337 H PHE 25 H PHE 25 11.660 -5.134 -8.498 338 HA PHE 25 HA PHE 25 10.925 -7.466 -6.981 339 HB2 PHE 25 HB2 PHE 25 13.156 -7.841 -6.554 340 HB3 PHE 25 HB3 PHE 25 13.509 -6.135 -6.319 341 HD1 PHE 25 HD1 PHE 25 13.292 -5.083 -4.151 342 HD2 PHE 25 HD2 PHE 25 11.892 -9.116 -4.789 343 HE1 PHE 25 HE1 PHE 25 13.105 -5.408 -1.699 344 HE2 PHE 25 HE2 PHE 25 11.704 -9.437 -2.333 345 HZ PHE 25 HZ PHE 25 12.333 -7.590 -0.781 346 H TYR 26 H TYR 26 9.011 -6.844 -6.341 347 HA TYR 26 HA TYR 26 8.468 -4.072 -5.730 348 HB2 TYR 26 HB2 TYR 26 6.083 -4.896 -5.514 349 HB3 TYR 26 HB3 TYR 26 6.895 -4.930 -7.057 350 HD1 TYR 26 HD1 TYR 26 5.859 -7.069 -4.188 351 HD2 TYR 26 HD2 TYR 26 7.244 -6.977 -8.279 352 HE1 TYR 26 HE1 TYR 26 5.384 -9.497 -4.401 353 HE2 TYR 26 HE2 TYR 26 6.795 -9.424 -8.471 354 HH TYR 26 HH TYR 26 5.454 -11.344 -5.761 355 H THR 27 H THR 27 9.769 -6.153 -3.680 356 HA THR 27 HA THR 27 9.930 -6.512 -1.544 357 HB THR 27 HB THR 27 8.440 -4.036 -0.893 358 HG1 THR 27 HG1 THR 27 10.372 -2.941 -1.118 359 HG21 THR 27 HG21 THR 27 10.789 -5.431 0.460 360 HG22 THR 27 HG22 THR 27 9.114 -5.347 1.068 361 HG23 THR 27 HG23 THR 27 10.089 -3.876 0.964 362 HA PRO 28 HA PRO 28 6.320 -8.786 -0.232 363 HB2 PRO 28 HB2 PRO 28 7.728 -8.895 2.432 364 HB3 PRO 28 HB3 PRO 28 6.949 -10.217 1.511 365 HG2 PRO 28 HG2 PRO 28 9.645 -9.964 1.511 366 HG3 PRO 28 HG3 PRO 28 8.778 -10.330 -0.019 367 HD2 PRO 28 HD2 PRO 28 9.798 -7.652 0.969 368 HD3 PRO 28 HD3 PRO 28 9.961 -8.408 -0.642 369 H LYS 29 H LYS 29 4.363 -8.096 0.601 370 HA LYS 29 HA LYS 29 4.099 -5.438 1.595 371 HB2 LYS 29 HB2 LYS 29 2.424 -6.665 0.269 372 HB3 LYS 29 HB3 LYS 29 2.058 -7.706 1.651 373 HG2 LYS 29 HG2 LYS 29 1.142 -5.895 2.927 374 HG3 LYS 29 HG3 LYS 29 1.839 -4.675 1.858 375 HD2 LYS 29 HD2 LYS 29 -0.405 -6.596 1.099 376 HD3 LYS 29 HD3 LYS 29 -0.588 -4.900 1.581 377 HE2 LYS 29 HE2 LYS 29 1.027 -4.331 -0.348 378 HE3 LYS 29 HE3 LYS 29 0.787 -5.991 -0.915 379 HZ1 LYS 29 HZ1 LYS 29 -1.613 -5.475 -1.056 380 HZ2 LYS 29 HZ2 LYS 29 -0.722 -4.425 -1.973 381 HZ3 LYS 29 HZ3 LYS 29 -1.321 -3.939 -0.519 382 H THR 30 H THR 30 4.702 -8.345 3.355 383 HA THR 30 HA THR 30 3.935 -7.556 5.972 384 HB THR 30 HB THR 30 5.275 -9.251 6.812 385 HG1 THR 30 HG1 THR 30 6.989 -10.146 5.644 386 HG21 THR 30 HG21 THR 30 3.493 -10.110 5.230 387 HG22 THR 30 HG22 THR 30 4.863 -11.206 5.475 388 HG23 THR 30 HG23 THR 30 4.749 -10.263 3.979 389 H LYS 31 H LYS 31 6.532 -6.303 4.034 390 HA LYS 31 HA LYS 31 8.009 -5.143 6.297 391 HB2 LYS 31 HB2 LYS 31 8.301 -4.597 3.320 392 HB3 LYS 31 HB3 LYS 31 9.465 -4.222 4.583 393 HG2 LYS 31 HG2 LYS 31 8.683 -6.986 3.578 394 HG3 LYS 31 HG3 LYS 31 10.217 -6.153 3.344 395 HD2 LYS 31 HD2 LYS 31 10.648 -6.261 5.798 396 HD3 LYS 31 HD3 LYS 31 9.117 -7.143 6.018 397 HE2 LYS 31 HE2 LYS 31 9.911 -8.930 4.499 398 HE3 LYS 31 HE3 LYS 31 11.444 -8.076 4.285 399 HZ1 LYS 31 HZ1 LYS 31 11.856 -8.351 6.672 400 HZ2 LYS 31 HZ2 LYS 31 11.605 -9.810 5.984 401 HZ3 LYS 31 HZ3 LYS 31 10.427 -9.124 6.875 402 H ARG 32 H ARG 32 5.196 -4.187 4.648 403 HA ARG 32 HA ARG 32 5.581 -1.274 4.924 404 HB2 ARG 32 HB2 ARG 32 4.377 -2.143 3.012 405 HB3 ARG 32 HB3 ARG 32 3.194 -2.946 4.032 406 HG2 ARG 32 HG2 ARG 32 3.616 0.057 4.182 407 HG3 ARG 32 HG3 ARG 32 2.656 -0.651 2.891 408 HD2 ARG 32 HD2 ARG 32 2.011 -0.976 5.859 409 HD3 ARG 32 HD3 ARG 32 1.326 0.216 4.789 410 HE ARG 32 HE ARG 32 0.029 -1.374 3.688 411 HH11 ARG 32 HH11 ARG 32 1.936 -3.103 6.129 412 HH12 ARG 32 HH12 ARG 32 0.792 -4.421 6.104 413 HH21 ARG 32 HH21 ARG 32 -1.198 -2.996 3.665 414 HH22 ARG 32 HH22 ARG 32 -0.985 -4.378 4.737 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 5.367 2.943 0.703 2 H2 GLY 1 H2 GLY 1 3.954 2.155 0.442 3 H3 GLY 1 H3 GLY 1 4.258 3.564 -0.334 4 HA2 GLY 1 HA2 GLY 1 6.057 2.584 -1.587 5 HA3 GLY 1 HA3 GLY 1 5.767 1.058 -0.717 6 H ILE 2 H ILE 2 5.658 1.577 -3.623 7 HA ILE 2 HA ILE 2 3.046 1.930 -4.631 8 HB ILE 2 HB ILE 2 5.697 1.113 -5.554 9 HG12 ILE 2 HG12 ILE 2 5.186 2.604 -7.435 10 HG13 ILE 2 HG13 ILE 2 3.509 2.732 -6.900 11 HG21 ILE 2 HG21 ILE 2 4.654 -0.860 -6.409 12 HG22 ILE 2 HG22 ILE 2 3.428 0.124 -7.261 13 HG23 ILE 2 HG23 ILE 2 5.152 0.216 -7.700 14 HD11 ILE 2 HD11 ILE 2 4.205 3.906 -4.865 15 HD12 ILE 2 HD12 ILE 2 5.918 3.635 -5.252 16 HD13 ILE 2 HD13 ILE 2 4.939 4.695 -6.273 17 H VAL 3 H VAL 3 4.566 -1.076 -3.582 18 HA VAL 3 HA VAL 3 2.639 -2.870 -4.561 19 HB VAL 3 HB VAL 3 4.906 -3.363 -3.610 20 HG11 VAL 3 HG11 VAL 3 4.589 -2.203 -1.395 21 HG12 VAL 3 HG12 VAL 3 3.474 -3.508 -0.921 22 HG13 VAL 3 HG13 VAL 3 5.175 -3.862 -1.274 23 HG21 VAL 3 HG21 VAL 3 2.643 -5.143 -2.638 24 HG22 VAL 3 HG22 VAL 3 3.364 -5.152 -4.267 25 HG23 VAL 3 HG23 VAL 3 4.339 -5.614 -2.862 26 H GLU 4 H GLU 4 2.370 -0.781 -1.757 27 HA GLU 4 HA GLU 4 -0.283 -1.965 -1.061 28 HB2 GLU 4 HB2 GLU 4 1.231 -1.527 0.795 29 HB3 GLU 4 HB3 GLU 4 1.346 0.183 0.339 30 HG2 GLU 4 HG2 GLU 4 -1.052 0.502 0.772 31 HG3 GLU 4 HG3 GLU 4 -1.270 -1.225 1.050 32 H GLN 5 H GLN 5 1.199 1.173 -2.052 33 HA GLN 5 HA GLN 5 -1.140 2.694 -2.040 34 HB2 GLN 5 HB2 GLN 5 1.143 3.606 -2.207 35 HB3 GLN 5 HB3 GLN 5 1.276 2.992 -3.864 36 HG2 GLN 5 HG2 GLN 5 -0.563 4.471 -4.594 37 HG3 GLN 5 HG3 GLN 5 -0.789 5.026 -2.935 38 HE21 GLN 5 HE21 GLN 5 -0.493 7.212 -3.980 39 HE22 GLN 5 HE22 GLN 5 1.162 7.760 -4.232 40 H CYS 6 H CYS 6 0.142 0.776 -4.820 41 HA CYS 6 HA CYS 6 -2.040 1.625 -6.562 42 HB2 CYS 6 HB2 CYS 6 -0.023 -0.619 -6.898 43 HB3 CYS 6 HB3 CYS 6 -1.054 0.080 -8.143 44 H CYS 7 H CYS 7 -1.666 -0.929 -4.203 45 HA CYS 7 HA CYS 7 -3.863 -2.552 -5.208 46 HB2 CYS 7 HB2 CYS 7 -2.082 -2.549 -2.849 47 HB3 CYS 7 HB3 CYS 7 -3.698 -3.184 -2.566 48 H THR 8 H THR 8 -3.545 -0.018 -2.682 49 HA THR 8 HA THR 8 -6.438 -0.101 -2.216 50 HB THR 8 HB THR 8 -6.195 1.082 -0.290 51 HG1 THR 8 HG1 THR 8 -4.378 2.265 0.243 52 HG21 THR 8 HG21 THR 8 -4.515 -0.009 1.041 53 HG22 THR 8 HG22 THR 8 -3.547 -0.413 -0.391 54 HG23 THR 8 HG23 THR 8 -5.129 -1.180 -0.139 55 H SER 9 H SER 9 -4.447 1.875 -4.185 56 HA SER 9 HA SER 9 -6.758 3.608 -4.842 57 HB2 SER 9 HB2 SER 9 -5.419 4.681 -2.990 58 HB3 SER 9 HB3 SER 9 -4.034 4.745 -4.093 59 HG SER 9 HG SER 9 -5.328 6.685 -4.052 60 H ILE 10 H ILE 10 -5.956 5.190 -6.680 61 HA ILE 10 HA ILE 10 -5.029 3.488 -8.870 62 HB ILE 10 HB ILE 10 -5.566 5.312 -10.344 63 HG12 ILE 10 HG12 ILE 10 -5.983 6.985 -7.828 64 HG13 ILE 10 HG13 ILE 10 -4.790 7.240 -9.106 65 HG21 ILE 10 HG21 ILE 10 -7.355 3.786 -9.376 66 HG22 ILE 10 HG22 ILE 10 -7.786 5.104 -8.273 67 HG23 ILE 10 HG23 ILE 10 -7.945 5.313 -10.028 68 HD11 ILE 10 HD11 ILE 10 -7.803 7.603 -9.304 69 HD12 ILE 10 HD12 ILE 10 -6.542 8.844 -9.416 70 HD13 ILE 10 HD13 ILE 10 -6.715 7.637 -10.709 71 H CYS 11 H CYS 11 -3.297 3.882 -10.255 72 HA CYS 11 HA CYS 11 -1.041 5.531 -9.228 73 HB2 CYS 11 HB2 CYS 11 -1.164 2.582 -9.839 74 HB3 CYS 11 HB3 CYS 11 0.336 3.454 -10.090 75 H SER 12 H SER 12 0.738 5.724 -10.773 76 HA SER 12 HA SER 12 -0.081 5.820 -13.658 77 HB2 SER 12 HB2 SER 12 1.506 7.622 -13.947 78 HB3 SER 12 HB3 SER 12 0.394 8.067 -12.642 79 HG SER 12 HG SER 12 1.953 7.664 -11.157 80 H LEU 13 H LEU 13 1.665 5.341 -15.202 81 HA LEU 13 HA LEU 13 3.334 3.098 -14.467 82 HB2 LEU 13 HB2 LEU 13 3.581 4.904 -16.891 83 HB3 LEU 13 HB3 LEU 13 4.244 3.288 -16.702 84 HG LEU 13 HG LEU 13 1.295 4.041 -16.927 85 HD11 LEU 13 HD11 LEU 13 1.402 2.794 -19.035 86 HD12 LEU 13 HD12 LEU 13 3.121 2.442 -18.765 87 HD13 LEU 13 HD13 LEU 13 2.587 4.118 -19.037 88 HD21 LEU 13 HD21 LEU 13 0.816 1.627 -16.982 89 HD22 LEU 13 HD22 LEU 13 1.479 2.111 -15.424 90 HD23 LEU 13 HD23 LEU 13 2.510 1.266 -16.601 91 H TYR 14 H TYR 14 3.873 6.595 -14.498 92 HA TYR 14 HA TYR 14 6.696 6.592 -14.245 93 HB2 TYR 14 HB2 TYR 14 4.602 8.581 -13.365 94 HB3 TYR 14 HB3 TYR 14 6.322 8.858 -13.202 95 HD1 TYR 14 HD1 TYR 14 3.527 9.167 -15.404 96 HD2 TYR 14 HD2 TYR 14 7.810 8.627 -15.347 97 HE1 TYR 14 HE1 TYR 14 3.670 10.016 -17.745 98 HE2 TYR 14 HE2 TYR 14 7.950 9.495 -17.669 99 HH TYR 14 HH TYR 14 6.795 10.309 -19.488 100 H GLN 15 H GLN 15 4.261 6.068 -11.754 101 HA GLN 15 HA GLN 15 6.080 6.117 -9.499 102 HB2 GLN 15 HB2 GLN 15 3.326 4.940 -9.977 103 HB3 GLN 15 HB3 GLN 15 4.178 4.749 -8.453 104 HG2 GLN 15 HG2 GLN 15 4.206 7.112 -8.031 105 HG3 GLN 15 HG3 GLN 15 3.712 7.497 -9.686 106 HE21 GLN 15 HE21 GLN 15 2.557 5.991 -6.627 107 HE22 GLN 15 HE22 GLN 15 0.859 6.180 -7.034 108 H LEU 16 H LEU 16 5.021 3.588 -11.748 109 HA LEU 16 HA LEU 16 6.190 1.370 -10.305 110 HB2 LEU 16 HB2 LEU 16 5.234 1.636 -13.190 111 HB3 LEU 16 HB3 LEU 16 5.617 0.128 -12.398 112 HG LEU 16 HG LEU 16 3.332 2.003 -11.652 113 HD11 LEU 16 HD11 LEU 16 1.936 0.149 -12.478 114 HD12 LEU 16 HD12 LEU 16 3.394 -0.764 -12.916 115 HD13 LEU 16 HD13 LEU 16 3.000 0.757 -13.752 116 HD21 LEU 16 HD21 LEU 16 4.141 -0.687 -10.466 117 HD22 LEU 16 HD22 LEU 16 2.585 0.121 -10.188 118 HD23 LEU 16 HD23 LEU 16 4.073 0.890 -9.632 119 H GLU 17 H GLU 17 7.384 3.466 -12.920 120 HA GLU 17 HA GLU 17 9.656 2.014 -13.735 121 HB2 GLU 17 HB2 GLU 17 9.144 5.004 -13.487 122 HB3 GLU 17 HB3 GLU 17 10.649 4.352 -14.148 123 HG2 GLU 17 HG2 GLU 17 9.412 3.119 -15.874 124 HG3 GLU 17 HG3 GLU 17 7.891 3.781 -15.276 125 H ASN 18 H ASN 18 9.175 3.456 -10.639 126 HA ASN 18 HA ASN 18 11.951 3.822 -9.885 127 HB2 ASN 18 HB2 ASN 18 9.355 3.563 -8.308 128 HB3 ASN 18 HB3 ASN 18 10.912 3.967 -7.579 129 HD21 ASN 18 HD21 ASN 18 8.136 5.269 -8.926 130 HD22 ASN 18 HD22 ASN 18 8.758 6.893 -9.246 131 H TYR 19 H TYR 19 10.029 0.942 -10.192 132 HA TYR 19 HA TYR 19 11.568 -0.437 -8.081 133 HB2 TYR 19 HB2 TYR 19 8.887 -0.991 -9.267 134 HB3 TYR 19 HB3 TYR 19 9.729 -2.128 -8.224 135 HD1 TYR 19 HD1 TYR 19 8.220 1.253 -8.389 136 HD2 TYR 19 HD2 TYR 19 10.030 -1.700 -5.833 137 HE1 TYR 19 HE1 TYR 19 7.592 2.590 -6.394 138 HE2 TYR 19 HE2 TYR 19 9.291 -0.425 -3.829 139 HH TYR 19 HH TYR 19 8.393 1.559 -3.069 140 H CYS 20 H CYS 20 11.696 -0.339 -11.398 141 HA CYS 20 HA CYS 20 12.724 -2.855 -12.149 142 HB2 CYS 20 HB2 CYS 20 13.734 -0.180 -13.138 143 HB3 CYS 20 HB3 CYS 20 13.625 -1.692 -14.018 144 H LYS 21 H LYS 21 14.770 -3.757 -12.032 145 HA LYS 21 HA LYS 21 16.815 -2.413 -10.291 146 HB2 LYS 21 HB2 LYS 21 15.410 -3.960 -9.023 147 HB3 LYS 21 HB3 LYS 21 15.770 -5.259 -10.167 148 HG2 LYS 21 HG2 LYS 21 18.155 -5.202 -9.560 149 HG3 LYS 21 HG3 LYS 21 17.863 -3.830 -8.469 150 HD2 LYS 21 HD2 LYS 21 16.362 -5.256 -7.089 151 HD3 LYS 21 HD3 LYS 21 16.634 -6.621 -8.197 152 HE2 LYS 21 HE2 LYS 21 19.060 -6.555 -7.700 153 HE3 LYS 21 HE3 LYS 21 18.810 -5.179 -6.611 154 HZ1 LYS 21 HZ1 LYS 21 17.667 -7.899 -6.237 155 HZ2 LYS 21 HZ2 LYS 21 17.429 -6.644 -5.220 156 HZ3 LYS 21 HZ3 LYS 21 18.920 -7.280 -5.398 157 H1 PHE 1 H1 PHE 1 -3.096 9.717 -20.806 158 H2 PHE 1 H2 PHE 1 -2.395 8.740 -21.915 159 H3 PHE 1 H3 PHE 1 -1.811 8.791 -20.381 160 HA PHE 1 HA PHE 1 -4.433 7.834 -21.196 161 HB2 PHE 1 HB2 PHE 1 -1.985 6.232 -20.516 162 HB3 PHE 1 HB3 PHE 1 -3.604 5.573 -20.327 163 HD1 PHE 1 HD1 PHE 1 -5.224 5.537 -22.318 164 HD2 PHE 1 HD2 PHE 1 -0.975 6.256 -22.715 165 HE1 PHE 1 HE1 PHE 1 -5.340 4.974 -24.735 166 HE2 PHE 1 HE2 PHE 1 -1.111 5.685 -25.119 167 HZ PHE 1 HZ PHE 1 -3.290 5.050 -26.134 168 H VAL 2 H VAL 2 -5.819 6.811 -19.679 169 HA VAL 2 HA VAL 2 -6.036 8.331 -17.266 170 HB VAL 2 HB VAL 2 -7.906 7.402 -18.673 171 HG11 VAL 2 HG11 VAL 2 -7.178 5.006 -18.707 172 HG12 VAL 2 HG12 VAL 2 -7.525 4.897 -16.965 173 HG13 VAL 2 HG13 VAL 2 -8.831 5.229 -18.109 174 HG21 VAL 2 HG21 VAL 2 -9.454 7.278 -16.826 175 HG22 VAL 2 HG22 VAL 2 -8.149 6.940 -15.679 176 HG23 VAL 2 HG23 VAL 2 -8.248 8.526 -16.486 177 H ASN 3 H ASN 3 -5.985 7.752 -15.090 178 HA ASN 3 HA ASN 3 -3.970 5.747 -14.341 179 HB2 ASN 3 HB2 ASN 3 -5.606 7.756 -12.747 180 HB3 ASN 3 HB3 ASN 3 -4.358 6.714 -12.053 181 HD21 ASN 3 HD21 ASN 3 -2.142 6.921 -12.947 182 HD22 ASN 3 HD22 ASN 3 -1.647 8.546 -13.455 183 H GLN 4 H GLN 4 -4.281 3.986 -12.983 184 HA GLN 4 HA GLN 4 -7.000 3.126 -12.213 185 HB2 GLN 4 HB2 GLN 4 -6.781 1.014 -13.293 186 HB3 GLN 4 HB3 GLN 4 -6.750 2.338 -14.452 187 HG2 GLN 4 HG2 GLN 4 -4.225 0.907 -13.484 188 HG3 GLN 4 HG3 GLN 4 -5.191 0.415 -14.866 189 HE21 GLN 4 HE21 GLN 4 -5.596 2.221 -16.584 190 HE22 GLN 4 HE22 GLN 4 -4.381 3.486 -16.731 191 H HIS 5 H HIS 5 -7.049 1.372 -10.730 192 HA HIS 5 HA HIS 5 -4.725 1.141 -8.929 193 HB2 HIS 5 HB2 HIS 5 -6.246 -0.368 -7.643 194 HB3 HIS 5 HB3 HIS 5 -6.832 1.279 -7.844 195 HD1 HIS 5 HD1 HIS 5 -9.178 1.584 -9.071 196 HD2 HIS 5 HD2 HIS 5 -7.568 -2.311 -9.150 197 HE1 HIS 5 HE1 HIS 5 -11.002 0.073 -10.013 198 H LEU 6 H LEU 6 -3.681 -0.806 -8.458 199 HA LEU 6 HA LEU 6 -3.804 -3.080 -10.360 200 HB2 LEU 6 HB2 LEU 6 -1.306 -1.408 -9.889 201 HB3 LEU 6 HB3 LEU 6 -1.359 -2.946 -10.736 202 HG LEU 6 HG LEU 6 -2.842 -0.483 -11.711 203 HD11 LEU 6 HD11 LEU 6 -0.530 0.099 -11.593 204 HD12 LEU 6 HD12 LEU 6 -0.938 -0.217 -13.287 205 HD13 LEU 6 HD13 LEU 6 -0.058 -1.444 -12.335 206 HD21 LEU 6 HD21 LEU 6 -3.636 -2.622 -12.683 207 HD22 LEU 6 HD22 LEU 6 -1.964 -3.026 -13.144 208 HD23 LEU 6 HD23 LEU 6 -2.789 -1.639 -13.886 209 H CYS 7 H CYS 7 -4.112 -4.678 -8.876 210 HA CYS 7 HA CYS 7 -2.344 -4.733 -6.468 211 HB2 CYS 7 HB2 CYS 7 -4.815 -4.079 -6.132 212 HB3 CYS 7 HB3 CYS 7 -5.205 -5.736 -6.554 213 H GLY 8 H GLY 8 -1.664 -6.804 -5.733 214 HA2 GLY 8 HA2 GLY 8 -0.911 -8.984 -5.971 215 HA3 GLY 8 HA3 GLY 8 -2.498 -9.323 -6.670 216 H SER 9 H SER 9 -2.339 -10.287 -8.603 217 HA SER 9 HA SER 9 -0.002 -10.486 -10.200 218 HB2 SER 9 HB2 SER 9 -1.549 -11.365 -11.936 219 HB3 SER 9 HB3 SER 9 -1.763 -12.124 -10.350 220 HG SER 9 HG SER 9 -3.768 -11.552 -11.309 221 H HIS 10 H HIS 10 -2.709 -8.126 -10.463 222 HA HIS 10 HA HIS 10 -1.899 -6.981 -12.958 223 HB2 HIS 10 HB2 HIS 10 -3.530 -5.940 -10.621 224 HB3 HIS 10 HB3 HIS 10 -3.168 -4.940 -12.013 225 HD1 HIS 10 HD1 HIS 10 -4.231 -5.686 -14.393 226 HD2 HIS 10 HD2 HIS 10 -5.529 -7.707 -10.934 227 HE1 HIS 10 HE1 HIS 10 -6.418 -6.827 -15.017 228 H LEU 11 H LEU 11 -0.796 -6.264 -9.639 229 HA LEU 11 HA LEU 11 0.637 -3.847 -10.292 230 HB2 LEU 11 HB2 LEU 11 -0.037 -4.431 -8.013 231 HB3 LEU 11 HB3 LEU 11 0.938 -5.878 -8.025 232 HG LEU 11 HG LEU 11 1.800 -3.988 -6.693 233 HD11 LEU 11 HD11 LEU 11 3.317 -5.796 -7.481 234 HD12 LEU 11 HD12 LEU 11 4.100 -4.253 -7.128 235 HD13 LEU 11 HD13 LEU 11 3.826 -4.721 -8.804 236 HD21 LEU 11 HD21 LEU 11 1.211 -2.147 -8.247 237 HD22 LEU 11 HD22 LEU 11 2.516 -2.675 -9.338 238 HD23 LEU 11 HD23 LEU 11 2.894 -2.102 -7.706 239 H VAL 12 H VAL 12 1.683 -7.271 -9.940 240 HA VAL 12 HA VAL 12 4.365 -6.738 -10.768 241 HB VAL 12 HB VAL 12 3.049 -9.460 -10.890 242 HG11 VAL 12 HG11 VAL 12 5.927 -8.566 -10.412 243 HG12 VAL 12 HG12 VAL 12 5.349 -10.246 -10.385 244 HG13 VAL 12 HG13 VAL 12 5.314 -9.333 -11.893 245 HG21 VAL 12 HG21 VAL 12 2.615 -8.581 -8.655 246 HG22 VAL 12 HG22 VAL 12 3.906 -9.775 -8.564 247 HG23 VAL 12 HG23 VAL 12 4.303 -8.047 -8.499 248 H GLU 13 H GLU 13 1.525 -7.848 -12.642 249 HA GLU 13 HA GLU 13 2.876 -8.209 -15.147 250 HB2 GLU 13 HB2 GLU 13 0.010 -7.599 -14.393 251 HB3 GLU 13 HB3 GLU 13 0.535 -7.776 -16.075 252 HG2 GLU 13 HG2 GLU 13 1.350 -10.021 -15.689 253 HG3 GLU 13 HG3 GLU 13 1.011 -9.921 -13.966 254 H ALA 14 H ALA 14 1.626 -5.246 -13.584 255 HA ALA 14 HA ALA 14 2.119 -3.580 -15.900 256 HB1 ALA 14 HB1 ALA 14 1.712 -1.749 -14.372 257 HB2 ALA 14 HB2 ALA 14 0.506 -3.022 -14.129 258 HB3 ALA 14 HB3 ALA 14 1.837 -2.849 -12.970 259 H LEU 15 H LEU 15 4.084 -4.298 -12.927 260 HA LEU 15 HA LEU 15 6.377 -2.737 -13.661 261 HB2 LEU 15 HB2 LEU 15 6.198 -5.388 -12.159 262 HB3 LEU 15 HB3 LEU 15 7.660 -4.425 -12.290 263 HG LEU 15 HG LEU 15 5.107 -3.386 -11.035 264 HD11 LEU 15 HD11 LEU 15 5.997 -5.323 -9.759 265 HD12 LEU 15 HD12 LEU 15 6.199 -3.804 -8.874 266 HD13 LEU 15 HD13 LEU 15 7.595 -4.546 -9.696 267 HD21 LEU 15 HD21 LEU 15 6.729 -1.644 -11.804 268 HD22 LEU 15 HD22 LEU 15 8.003 -2.433 -10.877 269 HD23 LEU 15 HD23 LEU 15 6.616 -1.692 -10.038 270 H TYR 16 H TYR 16 5.532 -6.065 -14.435 271 HA TYR 16 HA TYR 16 7.674 -6.787 -16.076 272 HB2 TYR 16 HB2 TYR 16 6.258 -8.478 -15.374 273 HB3 TYR 16 HB3 TYR 16 4.833 -7.644 -15.935 274 HD1 TYR 16 HD1 TYR 16 4.139 -7.618 -18.283 275 HD2 TYR 16 HD2 TYR 16 7.530 -9.901 -16.903 276 HE1 TYR 16 HE1 TYR 16 4.097 -8.955 -20.389 277 HE2 TYR 16 HE2 TYR 16 7.487 -11.232 -19.006 278 HH TYR 16 HH TYR 16 6.476 -11.561 -21.034 279 H LEU 17 H LEU 17 4.959 -4.788 -17.029 280 HA LEU 17 HA LEU 17 5.756 -4.737 -19.855 281 HB2 LEU 17 HB2 LEU 17 3.401 -4.848 -19.198 282 HB3 LEU 17 HB3 LEU 17 3.567 -3.386 -18.230 283 HG LEU 17 HG LEU 17 4.004 -2.054 -20.298 284 HD11 LEU 17 HD11 LEU 17 3.462 -3.052 -22.494 285 HD12 LEU 17 HD12 LEU 17 3.307 -4.656 -21.737 286 HD13 LEU 17 HD13 LEU 17 4.885 -3.832 -21.781 287 HD21 LEU 17 HD21 LEU 17 1.437 -3.694 -20.341 288 HD22 LEU 17 HD22 LEU 17 1.692 -2.113 -21.121 289 HD23 LEU 17 HD23 LEU 17 1.738 -2.244 -19.350 290 H VAL 18 H VAL 18 5.766 -2.556 -17.052 291 HA VAL 18 HA VAL 18 6.723 -0.197 -18.413 292 HB VAL 18 HB VAL 18 6.517 -1.100 -15.509 293 HG11 VAL 18 HG11 VAL 18 6.989 1.233 -14.836 294 HG12 VAL 18 HG12 VAL 18 8.407 0.402 -15.469 295 HG13 VAL 18 HG13 VAL 18 7.537 1.577 -16.492 296 HG21 VAL 18 HG21 VAL 18 4.768 0.638 -15.444 297 HG22 VAL 18 HG22 VAL 18 5.117 1.076 -17.131 298 HG23 VAL 18 HG23 VAL 18 4.426 -0.510 -16.745 299 H CYS 19 H CYS 19 8.414 -2.602 -16.310 300 HA CYS 19 HA CYS 19 11.039 -1.449 -16.913 301 HB2 CYS 19 HB2 CYS 19 10.266 -4.017 -15.502 302 HB3 CYS 19 HB3 CYS 19 11.853 -3.256 -15.467 303 H GLY 20 H GLY 20 9.026 -4.020 -18.240 304 HA2 GLY 20 HA2 GLY 20 9.303 -5.221 -20.213 305 HA3 GLY 20 HA3 GLY 20 10.848 -4.417 -20.483 306 H GLU 21 H GLU 21 9.400 -6.662 -18.156 307 HA GLU 21 HA GLU 21 10.162 -8.379 -16.908 308 HB2 GLU 21 HB2 GLU 21 10.690 -10.331 -18.079 309 HB3 GLU 21 HB3 GLU 21 9.495 -9.448 -18.979 310 HG2 GLU 21 HG2 GLU 21 12.441 -9.251 -19.722 311 HG3 GLU 21 HG3 GLU 21 11.519 -10.670 -20.141 312 H ARG 22 H ARG 22 12.164 -6.186 -17.029 313 HA ARG 22 HA ARG 22 14.799 -7.135 -17.144 314 HB2 ARG 22 HB2 ARG 22 14.269 -4.809 -17.335 315 HB3 ARG 22 HB3 ARG 22 13.559 -4.760 -15.714 316 HG2 ARG 22 HG2 ARG 22 15.705 -5.089 -14.666 317 HG3 ARG 22 HG3 ARG 22 16.507 -5.329 -16.232 318 HD2 ARG 22 HD2 ARG 22 16.148 -3.038 -16.844 319 HD3 ARG 22 HD3 ARG 22 15.048 -2.761 -15.486 320 HE ARG 22 HE ARG 22 17.241 -3.509 -14.129 321 HH11 ARG 22 HH11 ARG 22 17.119 -1.217 -16.796 322 HH12 ARG 22 HH12 ARG 22 18.473 -0.308 -16.176 323 HH21 ARG 22 HH21 ARG 22 18.835 -2.246 -13.342 324 HH22 ARG 22 HH22 ARG 22 19.460 -0.910 -14.288 325 H GLY 23 H GLY 23 12.672 -7.251 -14.338 326 HA2 GLY 23 HA2 GLY 23 13.156 -9.070 -12.715 327 HA3 GLY 23 HA3 GLY 23 14.866 -8.659 -12.799 328 H PHE 24 H PHE 24 12.140 -6.434 -12.434 329 HA PHE 24 HA PHE 24 12.941 -4.858 -10.337 330 HB2 PHE 24 HB2 PHE 24 10.318 -4.666 -9.972 331 HB3 PHE 24 HB3 PHE 24 11.112 -4.026 -11.390 332 HD1 PHE 24 HD1 PHE 24 9.107 -6.930 -10.151 333 HD2 PHE 24 HD2 PHE 24 10.788 -4.887 -13.533 334 HE1 PHE 24 HE1 PHE 24 7.929 -8.505 -11.691 335 HE2 PHE 24 HE2 PHE 24 9.644 -6.470 -15.078 336 HZ PHE 24 HZ PHE 24 8.217 -8.294 -14.142 337 H PHE 25 H PHE 25 12.249 -4.479 -8.244 338 HA PHE 25 HA PHE 25 11.288 -6.793 -6.704 339 HB2 PHE 25 HB2 PHE 25 13.484 -7.188 -6.268 340 HB3 PHE 25 HB3 PHE 25 13.880 -5.479 -6.121 341 HD1 PHE 25 HD1 PHE 25 13.915 -4.395 -4.023 342 HD2 PHE 25 HD2 PHE 25 11.937 -8.207 -4.417 343 HE1 PHE 25 HE1 PHE 25 13.664 -4.523 -1.556 344 HE2 PHE 25 HE2 PHE 25 11.692 -8.331 -1.949 345 HZ PHE 25 HZ PHE 25 12.576 -6.495 -0.516 346 H TYR 26 H TYR 26 9.380 -6.273 -6.046 347 HA TYR 26 HA TYR 26 8.702 -3.530 -5.551 348 HB2 TYR 26 HB2 TYR 26 6.355 -4.466 -5.240 349 HB3 TYR 26 HB3 TYR 26 7.148 -4.486 -6.797 350 HD1 TYR 26 HD1 TYR 26 7.548 -6.513 -7.997 351 HD2 TYR 26 HD2 TYR 26 6.267 -6.638 -3.886 352 HE1 TYR 26 HE1 TYR 26 7.171 -8.965 -8.192 353 HE2 TYR 26 HE2 TYR 26 5.889 -9.094 -4.078 354 HH TYR 26 HH TYR 26 5.993 -10.941 -5.441 355 H THR 27 H THR 27 10.118 -5.425 -3.350 356 HA THR 27 HA THR 27 10.142 -5.574 -1.129 357 HB THR 27 HB THR 27 11.147 -3.419 -1.734 358 HG1 THR 27 HG1 THR 27 11.573 -3.076 0.449 359 HG21 THR 27 HG21 THR 27 9.071 -2.120 0.058 360 HG22 THR 27 HG22 THR 27 9.050 -1.968 -1.716 361 HG23 THR 27 HG23 THR 27 10.438 -1.391 -0.788 362 HA PRO 28 HA PRO 28 5.580 -5.993 -0.670 363 HB2 PRO 28 HB2 PRO 28 5.507 -8.637 0.093 364 HB3 PRO 28 HB3 PRO 28 5.544 -8.075 -1.603 365 HG2 PRO 28 HG2 PRO 28 7.884 -8.967 0.116 366 HG3 PRO 28 HG3 PRO 28 7.482 -9.471 -1.559 367 HD2 PRO 28 HD2 PRO 28 9.308 -7.553 -1.093 368 HD3 PRO 28 HD3 PRO 28 8.156 -7.380 -2.452 369 H LYS 29 H LYS 29 4.350 -5.811 1.135 370 HA LYS 29 HA LYS 29 5.634 -4.827 3.437 371 HB2 LYS 29 HB2 LYS 29 3.434 -4.158 2.453 372 HB3 LYS 29 HB3 LYS 29 2.706 -5.620 3.118 373 HG2 LYS 29 HG2 LYS 29 3.098 -4.843 5.397 374 HG3 LYS 29 HG3 LYS 29 4.116 -3.512 4.807 375 HD2 LYS 29 HD2 LYS 29 2.113 -2.574 3.621 376 HD3 LYS 29 HD3 LYS 29 1.115 -3.849 4.360 377 HE2 LYS 29 HE2 LYS 29 1.717 -3.031 6.611 378 HE3 LYS 29 HE3 LYS 29 2.811 -1.833 5.903 379 HZ1 LYS 29 HZ1 LYS 29 -0.139 -1.876 5.562 380 HZ2 LYS 29 HZ2 LYS 29 0.862 -0.844 4.786 381 HZ3 LYS 29 HZ3 LYS 29 0.720 -0.776 6.422 382 H THR 30 H THR 30 4.757 -8.099 2.846 383 HA THR 30 HA THR 30 4.754 -9.007 5.585 384 HB THR 30 HB THR 30 4.625 -11.181 4.822 385 HG1 THR 30 HG1 THR 30 5.219 -11.803 2.765 386 HG21 THR 30 HG21 THR 30 2.904 -11.251 3.145 387 HG22 THR 30 HG22 THR 30 3.362 -9.669 2.493 388 HG23 THR 30 HG23 THR 30 2.631 -9.789 4.112 389 H LYS 31 H LYS 31 7.355 -8.047 3.570 390 HA LYS 31 HA LYS 31 9.451 -9.692 4.680 391 HB2 LYS 31 HB2 LYS 31 9.449 -8.415 2.477 392 HB3 LYS 31 HB3 LYS 31 9.635 -6.932 3.417 393 HG2 LYS 31 HG2 LYS 31 11.816 -7.950 4.350 394 HG3 LYS 31 HG3 LYS 31 11.561 -9.291 3.239 395 HD2 LYS 31 HD2 LYS 31 13.115 -7.773 2.221 396 HD3 LYS 31 HD3 LYS 31 11.605 -7.682 1.331 397 HE2 LYS 31 HE2 LYS 31 12.462 -5.445 1.580 398 HE3 LYS 31 HE3 LYS 31 11.013 -5.584 2.568 399 HZ1 LYS 31 HZ1 LYS 31 12.453 -5.832 4.546 400 HZ2 LYS 31 HZ2 LYS 31 12.822 -4.464 3.745 401 HZ3 LYS 31 HZ3 LYS 31 13.795 -5.764 3.607 402 H ARG 32 H ARG 32 11.027 -9.169 6.205 403 HA ARG 32 HA ARG 32 10.384 -7.552 8.523 404 HB2 ARG 32 HB2 ARG 32 12.987 -8.820 7.586 405 HB3 ARG 32 HB3 ARG 32 12.778 -7.985 9.130 406 HG2 ARG 32 HG2 ARG 32 11.029 -9.617 9.803 407 HG3 ARG 32 HG3 ARG 32 11.203 -10.454 8.257 408 HD2 ARG 32 HD2 ARG 32 12.436 -11.687 9.921 409 HD3 ARG 32 HD3 ARG 32 13.570 -10.970 8.792 410 HE ARG 32 HE ARG 32 14.386 -9.547 10.451 411 HH11 ARG 32 HH11 ARG 32 11.677 -11.319 11.802 412 HH12 ARG 32 HH12 ARG 32 12.106 -10.890 13.438 413 HH21 ARG 32 HH21 ARG 32 14.847 -9.029 12.554 414 HH22 ARG 32 HH22 ARG 32 13.854 -9.640 13.845 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 5.863 2.758 -1.256 2 H2 GLY 1 H2 GLY 1 6.533 2.073 0.073 3 H3 GLY 1 H3 GLY 1 4.912 1.981 -0.173 4 HA2 GLY 1 HA2 GLY 1 6.982 0.706 -1.852 5 HA3 GLY 1 HA3 GLY 1 5.962 -0.135 -0.667 6 H ILE 2 H ILE 2 6.278 0.267 -3.880 7 HA ILE 2 HA ILE 2 3.809 1.197 -4.835 8 HB ILE 2 HB ILE 2 5.978 0.877 -6.071 9 HG12 ILE 2 HG12 ILE 2 5.010 0.235 -8.271 10 HG13 ILE 2 HG13 ILE 2 3.495 -0.170 -7.457 11 HG21 ILE 2 HG21 ILE 2 6.486 -1.243 -7.177 12 HG22 ILE 2 HG22 ILE 2 6.409 -1.513 -5.435 13 HG23 ILE 2 HG23 ILE 2 5.062 -2.017 -6.474 14 HD11 ILE 2 HD11 ILE 2 3.514 2.107 -8.495 15 HD12 ILE 2 HD12 ILE 2 3.268 2.199 -6.743 16 HD13 ILE 2 HD13 ILE 2 4.872 2.555 -7.440 17 H VAL 3 H VAL 3 4.682 -2.077 -3.836 18 HA VAL 3 HA VAL 3 2.427 -3.427 -4.901 19 HB VAL 3 HB VAL 3 3.893 -4.349 -2.425 20 HG11 VAL 3 HG11 VAL 3 2.654 -5.821 -4.790 21 HG12 VAL 3 HG12 VAL 3 3.500 -6.582 -3.420 22 HG13 VAL 3 HG13 VAL 3 1.985 -5.726 -3.148 23 HG21 VAL 3 HG21 VAL 3 4.859 -4.568 -5.301 24 HG22 VAL 3 HG22 VAL 3 5.692 -3.732 -3.970 25 HG23 VAL 3 HG23 VAL 3 5.516 -5.477 -3.920 26 H GLU 4 H GLU 4 2.784 -1.661 -1.897 27 HA GLU 4 HA GLU 4 0.070 -2.345 -0.941 28 HB2 GLU 4 HB2 GLU 4 1.980 -1.877 0.637 29 HB3 GLU 4 HB3 GLU 4 2.067 -0.246 -0.017 30 HG2 GLU 4 HG2 GLU 4 0.892 -0.017 1.975 31 HG3 GLU 4 HG3 GLU 4 -0.345 0.105 0.735 32 H GLN 5 H GLN 5 1.764 0.576 -2.229 33 HA GLN 5 HA GLN 5 -0.467 2.267 -2.118 34 HB2 GLN 5 HB2 GLN 5 1.824 3.024 -2.256 35 HB3 GLN 5 HB3 GLN 5 1.986 2.399 -3.904 36 HG2 GLN 5 HG2 GLN 5 0.419 4.021 -4.778 37 HG3 GLN 5 HG3 GLN 5 -0.085 4.497 -3.151 38 HE21 GLN 5 HE21 GLN 5 0.424 6.675 -4.278 39 HE22 GLN 5 HE22 GLN 5 2.050 7.269 -3.962 40 H CYS 6 H CYS 6 0.549 0.257 -4.922 41 HA CYS 6 HA CYS 6 -1.551 1.217 -6.686 42 HB2 CYS 6 HB2 CYS 6 0.199 -1.258 -6.650 43 HB3 CYS 6 HB3 CYS 6 -1.040 -1.004 -7.855 44 H CYS 7 H CYS 7 -1.632 -1.019 -3.980 45 HA CYS 7 HA CYS 7 -4.099 -2.312 -4.980 46 HB2 CYS 7 HB2 CYS 7 -2.344 -3.599 -3.712 47 HB3 CYS 7 HB3 CYS 7 -2.713 -2.612 -2.295 48 H THR 8 H THR 8 -3.110 -0.275 -2.167 49 HA THR 8 HA THR 8 -5.838 0.159 -1.361 50 HB THR 8 HB THR 8 -5.094 1.281 0.498 51 HG1 THR 8 HG1 THR 8 -3.054 2.172 0.678 52 HG21 THR 8 HG21 THR 8 -2.741 -0.566 -0.085 53 HG22 THR 8 HG22 THR 8 -4.348 -1.130 0.430 54 HG23 THR 8 HG23 THR 8 -3.389 -0.084 1.491 55 H SER 9 H SER 9 -3.975 1.840 -3.643 56 HA SER 9 HA SER 9 -6.114 3.840 -4.042 57 HB2 SER 9 HB2 SER 9 -4.384 4.795 -2.434 58 HB3 SER 9 HB3 SER 9 -3.211 4.683 -3.759 59 HG SER 9 HG SER 9 -4.281 6.751 -3.580 60 H ILE 10 H ILE 10 -5.254 5.263 -6.001 61 HA ILE 10 HA ILE 10 -4.614 3.445 -8.237 62 HB ILE 10 HB ILE 10 -4.973 5.301 -9.681 63 HG12 ILE 10 HG12 ILE 10 -4.999 7.059 -7.192 64 HG13 ILE 10 HG13 ILE 10 -3.883 7.121 -8.557 65 HG21 ILE 10 HG21 ILE 10 -6.953 4.092 -8.553 66 HG22 ILE 10 HG22 ILE 10 -7.158 5.560 -7.589 67 HG23 ILE 10 HG23 ILE 10 -7.294 5.633 -9.363 68 HD11 ILE 10 HD11 ILE 10 -6.823 7.876 -8.560 69 HD12 ILE 10 HD12 ILE 10 -5.424 8.944 -8.780 70 HD13 ILE 10 HD13 ILE 10 -5.832 7.751 -10.040 71 H CYS 11 H CYS 11 -2.782 3.790 -9.645 72 HA CYS 11 HA CYS 11 -0.523 5.366 -8.593 73 HB2 CYS 11 HB2 CYS 11 0.987 3.498 -8.504 74 HB3 CYS 11 HB3 CYS 11 -0.399 3.162 -7.479 75 H SER 12 H SER 12 1.459 5.071 -10.160 76 HA SER 12 HA SER 12 0.472 5.193 -12.988 77 HB2 SER 12 HB2 SER 12 0.513 7.442 -11.722 78 HB3 SER 12 HB3 SER 12 2.281 7.304 -11.791 79 HG SER 12 HG SER 12 1.479 8.444 -13.595 80 H LEU 13 H LEU 13 2.105 5.429 -14.588 81 HA LEU 13 HA LEU 13 3.951 3.266 -14.559 82 HB2 LEU 13 HB2 LEU 13 4.026 5.601 -16.484 83 HB3 LEU 13 HB3 LEU 13 4.519 3.938 -16.775 84 HG LEU 13 HG LEU 13 1.662 4.958 -16.379 85 HD11 LEU 13 HD11 LEU 13 3.086 3.897 -18.857 86 HD12 LEU 13 HD12 LEU 13 2.699 5.598 -18.527 87 HD13 LEU 13 HD13 LEU 13 1.396 4.424 -18.763 88 HD21 LEU 13 HD21 LEU 13 0.914 2.720 -17.049 89 HD22 LEU 13 HD22 LEU 13 1.882 2.599 -15.579 90 HD23 LEU 13 HD23 LEU 13 2.588 2.152 -17.147 91 H TYR 14 H TYR 14 4.491 6.759 -14.151 92 HA TYR 14 HA TYR 14 7.320 6.660 -13.977 93 HB2 TYR 14 HB2 TYR 14 5.299 8.646 -12.938 94 HB3 TYR 14 HB3 TYR 14 7.027 8.850 -12.724 95 HD1 TYR 14 HD1 TYR 14 4.277 9.226 -15.054 96 HD2 TYR 14 HD2 TYR 14 8.576 8.930 -14.739 97 HE1 TYR 14 HE1 TYR 14 4.521 10.228 -17.324 98 HE2 TYR 14 HE2 TYR 14 8.809 9.943 -17.004 99 HH TYR 14 HH TYR 14 7.725 10.816 -18.814 100 H GLN 15 H GLN 15 5.021 5.683 -11.596 101 HA GLN 15 HA GLN 15 6.939 5.754 -9.358 102 HB2 GLN 15 HB2 GLN 15 4.201 4.440 -9.497 103 HB3 GLN 15 HB3 GLN 15 5.163 4.782 -8.058 104 HG2 GLN 15 HG2 GLN 15 4.946 7.234 -8.514 105 HG3 GLN 15 HG3 GLN 15 3.916 6.863 -9.907 106 HE21 GLN 15 HE21 GLN 15 4.117 6.657 -6.325 107 HE22 GLN 15 HE22 GLN 15 2.396 6.368 -6.116 108 H LEU 16 H LEU 16 5.538 3.434 -11.620 109 HA LEU 16 HA LEU 16 6.516 1.005 -10.447 110 HB2 LEU 16 HB2 LEU 16 5.441 1.814 -13.188 111 HB3 LEU 16 HB3 LEU 16 5.885 0.155 -12.843 112 HG LEU 16 HG LEU 16 3.896 1.608 -11.062 113 HD11 LEU 16 HD11 LEU 16 3.323 0.124 -13.659 114 HD12 LEU 16 HD12 LEU 16 2.964 1.822 -13.294 115 HD13 LEU 16 HD13 LEU 16 2.095 0.546 -12.440 116 HD21 LEU 16 HD21 LEU 16 3.102 -0.637 -10.605 117 HD22 LEU 16 HD22 LEU 16 4.855 -0.615 -10.349 118 HD23 LEU 16 HD23 LEU 16 4.193 -1.338 -11.819 119 H GLU 17 H GLU 17 7.843 3.112 -13.032 120 HA GLU 17 HA GLU 17 9.935 1.507 -13.988 121 HB2 GLU 17 HB2 GLU 17 9.748 4.510 -13.563 122 HB3 GLU 17 HB3 GLU 17 11.144 3.739 -14.333 123 HG2 GLU 17 HG2 GLU 17 9.710 2.757 -16.063 124 HG3 GLU 17 HG3 GLU 17 8.296 3.531 -15.347 125 H ASN 18 H ASN 18 9.767 2.970 -10.833 126 HA ASN 18 HA ASN 18 12.593 3.081 -10.235 127 HB2 ASN 18 HB2 ASN 18 10.092 3.023 -8.485 128 HB3 ASN 18 HB3 ASN 18 11.711 3.365 -7.884 129 HD21 ASN 18 HD21 ASN 18 8.923 4.761 -9.028 130 HD22 ASN 18 HD22 ASN 18 9.576 6.329 -9.508 131 H TYR 19 H TYR 19 10.370 0.410 -10.325 132 HA TYR 19 HA TYR 19 11.885 -1.149 -8.349 133 HB2 TYR 19 HB2 TYR 19 9.196 -1.550 -9.616 134 HB3 TYR 19 HB3 TYR 19 9.980 -2.778 -8.631 135 HD1 TYR 19 HD1 TYR 19 8.806 0.775 -8.561 136 HD2 TYR 19 HD2 TYR 19 9.899 -2.706 -6.249 137 HE1 TYR 19 HE1 TYR 19 8.159 1.958 -6.503 138 HE2 TYR 19 HE2 TYR 19 9.113 -1.555 -4.178 139 HH TYR 19 HH TYR 19 8.207 1.891 -4.168 140 H CYS 20 H CYS 20 12.210 -0.735 -11.567 141 HA CYS 20 HA CYS 20 12.943 -3.442 -12.338 142 HB2 CYS 20 HB2 CYS 20 13.155 -0.839 -13.853 143 HB3 CYS 20 HB3 CYS 20 13.132 -2.473 -14.521 144 H LYS 21 H LYS 21 14.841 -4.302 -12.258 145 HA LYS 21 HA LYS 21 17.059 -4.718 -12.106 146 HB2 LYS 21 HB2 LYS 21 16.786 -3.753 -14.439 147 HB3 LYS 21 HB3 LYS 21 17.362 -2.230 -13.793 148 HG2 LYS 21 HG2 LYS 21 19.416 -3.804 -12.946 149 HG3 LYS 21 HG3 LYS 21 18.810 -4.863 -14.198 150 HD2 LYS 21 HD2 LYS 21 20.654 -3.445 -14.993 151 HD3 LYS 21 HD3 LYS 21 19.170 -3.145 -15.901 152 HE2 LYS 21 HE2 LYS 21 20.464 -1.079 -15.377 153 HE3 LYS 21 HE3 LYS 21 18.800 -1.041 -14.787 154 HZ1 LYS 21 HZ1 LYS 21 19.596 -1.545 -12.563 155 HZ2 LYS 21 HZ2 LYS 21 20.389 -0.230 -13.119 156 HZ3 LYS 21 HZ3 LYS 21 21.148 -1.676 -13.081 157 H1 PHE 1 H1 PHE 1 -3.172 4.630 -22.110 158 H2 PHE 1 H2 PHE 1 -3.513 6.212 -21.848 159 H3 PHE 1 H3 PHE 1 -4.709 5.092 -21.796 160 HA PHE 1 HA PHE 1 -3.768 4.044 -19.923 161 HB2 PHE 1 HB2 PHE 1 -1.581 6.077 -20.158 162 HB3 PHE 1 HB3 PHE 1 -1.962 5.312 -18.630 163 HD1 PHE 1 HD1 PHE 1 -0.216 4.898 -21.773 164 HD2 PHE 1 HD2 PHE 1 -1.895 2.783 -18.400 165 HE1 PHE 1 HE1 PHE 1 1.197 2.921 -22.298 166 HE2 PHE 1 HE2 PHE 1 -0.479 0.818 -18.932 167 HZ PHE 1 HZ PHE 1 1.068 0.884 -20.884 168 H VAL 2 H VAL 2 -4.517 4.345 -17.863 169 HA VAL 2 HA VAL 2 -5.189 7.012 -16.949 170 HB VAL 2 HB VAL 2 -7.204 6.369 -18.278 171 HG11 VAL 2 HG11 VAL 2 -8.819 4.807 -17.388 172 HG12 VAL 2 HG12 VAL 2 -7.307 3.938 -17.681 173 HG13 VAL 2 HG13 VAL 2 -7.773 4.387 -16.024 174 HG21 VAL 2 HG21 VAL 2 -7.271 8.060 -16.476 175 HG22 VAL 2 HG22 VAL 2 -8.793 7.185 -16.660 176 HG23 VAL 2 HG23 VAL 2 -7.717 6.792 -15.308 177 H ASN 3 H ASN 3 -5.208 7.207 -14.723 178 HA ASN 3 HA ASN 3 -3.829 5.072 -13.324 179 HB2 ASN 3 HB2 ASN 3 -4.868 7.764 -12.332 180 HB3 ASN 3 HB3 ASN 3 -3.770 6.680 -11.460 181 HD21 ASN 3 HD21 ASN 3 -1.692 6.101 -12.655 182 HD22 ASN 3 HD22 ASN 3 -0.955 7.397 -13.590 183 H GLN 4 H GLN 4 -4.616 3.568 -12.009 184 HA GLN 4 HA GLN 4 -7.373 3.602 -10.953 185 HB2 GLN 4 HB2 GLN 4 -8.008 1.617 -12.209 186 HB3 GLN 4 HB3 GLN 4 -7.533 2.903 -13.314 187 HG2 GLN 4 HG2 GLN 4 -5.195 1.731 -13.370 188 HG3 GLN 4 HG3 GLN 4 -6.012 0.361 -12.617 189 HE21 GLN 4 HE21 GLN 4 -5.952 2.485 -15.520 190 HE22 GLN 4 HE22 GLN 4 -6.825 1.342 -16.545 191 H HIS 5 H HIS 5 -7.815 1.696 -9.586 192 HA HIS 5 HA HIS 5 -5.642 0.787 -7.930 193 HB2 HIS 5 HB2 HIS 5 -8.480 -0.231 -8.320 194 HB3 HIS 5 HB3 HIS 5 -7.327 -0.978 -7.220 195 HD1 HIS 5 HD1 HIS 5 -6.899 0.203 -4.896 196 HD2 HIS 5 HD2 HIS 5 -9.295 2.340 -7.624 197 HE1 HIS 5 HE1 HIS 5 -7.955 2.127 -3.591 198 H LEU 6 H LEU 6 -4.281 -0.863 -8.112 199 HA LEU 6 HA LEU 6 -4.472 -2.801 -10.330 200 HB2 LEU 6 HB2 LEU 6 -3.282 -0.376 -10.610 201 HB3 LEU 6 HB3 LEU 6 -1.964 -1.198 -9.790 202 HG LEU 6 HG LEU 6 -2.072 -2.950 -11.571 203 HD11 LEU 6 HD11 LEU 6 -4.389 -2.521 -12.462 204 HD12 LEU 6 HD12 LEU 6 -3.175 -2.359 -13.727 205 HD13 LEU 6 HD13 LEU 6 -3.869 -0.907 -12.969 206 HD21 LEU 6 HD21 LEU 6 -1.573 -0.009 -12.231 207 HD22 LEU 6 HD22 LEU 6 -1.063 -1.319 -13.306 208 HD23 LEU 6 HD23 LEU 6 -0.403 -1.214 -11.652 209 H CYS 7 H CYS 7 -5.006 -3.588 -7.886 210 HA CYS 7 HA CYS 7 -2.832 -4.241 -6.141 211 HB2 CYS 7 HB2 CYS 7 -5.333 -3.966 -5.576 212 HB3 CYS 7 HB3 CYS 7 -5.556 -5.579 -6.253 213 H GLY 8 H GLY 8 -1.978 -6.316 -5.546 214 HA2 GLY 8 HA2 GLY 8 -1.225 -8.481 -5.796 215 HA3 GLY 8 HA3 GLY 8 -2.784 -8.803 -6.548 216 H SER 9 H SER 9 -2.398 -9.968 -8.359 217 HA SER 9 HA SER 9 -0.030 -10.073 -9.855 218 HB2 SER 9 HB2 SER 9 -2.879 -10.630 -10.785 219 HB3 SER 9 HB3 SER 9 -1.398 -11.173 -11.594 220 HG SER 9 HG SER 9 -2.238 -12.799 -10.233 221 H HIS 10 H HIS 10 -2.691 -7.736 -10.203 222 HA HIS 10 HA HIS 10 -2.032 -6.813 -12.837 223 HB2 HIS 10 HB2 HIS 10 -3.375 -5.334 -10.540 224 HB3 HIS 10 HB3 HIS 10 -3.335 -4.824 -12.226 225 HD1 HIS 10 HD1 HIS 10 -4.579 -6.671 -13.996 226 HD2 HIS 10 HD2 HIS 10 -5.518 -6.694 -9.892 227 HE1 HIS 10 HE1 HIS 10 -6.823 -7.850 -13.781 228 H LEU 11 H LEU 11 -0.611 -6.013 -9.676 229 HA LEU 11 HA LEU 11 0.913 -3.723 -10.534 230 HB2 LEU 11 HB2 LEU 11 0.491 -4.162 -8.206 231 HB3 LEU 11 HB3 LEU 11 1.245 -5.742 -8.283 232 HG LEU 11 HG LEU 11 2.486 -3.963 -7.088 233 HD11 LEU 11 HD11 LEU 11 4.147 -5.156 -9.309 234 HD12 LEU 11 HD12 LEU 11 3.589 -6.033 -7.862 235 HD13 LEU 11 HD13 LEU 11 4.660 -4.627 -7.712 236 HD21 LEU 11 HD21 LEU 11 3.829 -2.362 -8.324 237 HD22 LEU 11 HD22 LEU 11 2.105 -2.112 -8.647 238 HD23 LEU 11 HD23 LEU 11 3.136 -2.908 -9.848 239 H VAL 12 H VAL 12 1.673 -7.236 -10.360 240 HA VAL 12 HA VAL 12 4.317 -6.932 -11.389 241 HB VAL 12 HB VAL 12 2.696 -9.476 -11.675 242 HG11 VAL 12 HG11 VAL 12 4.890 -9.494 -12.783 243 HG12 VAL 12 HG12 VAL 12 5.674 -8.939 -11.293 244 HG13 VAL 12 HG13 VAL 12 4.908 -10.543 -11.362 245 HG21 VAL 12 HG21 VAL 12 3.607 -10.121 -9.430 246 HG22 VAL 12 HG22 VAL 12 4.130 -8.437 -9.199 247 HG23 VAL 12 HG23 VAL 12 2.405 -8.829 -9.352 248 H GLU 13 H GLU 13 1.236 -7.657 -13.031 249 HA GLU 13 HA GLU 13 2.242 -7.840 -15.711 250 HB2 GLU 13 HB2 GLU 13 -0.418 -6.886 -14.594 251 HB3 GLU 13 HB3 GLU 13 -0.121 -7.076 -16.307 252 HG2 GLU 13 HG2 GLU 13 0.128 -9.338 -14.274 253 HG3 GLU 13 HG3 GLU 13 -1.326 -8.987 -15.193 254 H ALA 14 H ALA 14 1.435 -4.964 -13.714 255 HA ALA 14 HA ALA 14 1.810 -3.083 -15.845 256 HB1 ALA 14 HB1 ALA 14 0.489 -2.743 -13.768 257 HB2 ALA 14 HB2 ALA 14 1.992 -2.594 -12.848 258 HB3 ALA 14 HB3 ALA 14 1.608 -1.426 -14.138 259 H LEU 15 H LEU 15 4.063 -4.228 -13.253 260 HA LEU 15 HA LEU 15 6.351 -2.697 -14.075 261 HB2 LEU 15 HB2 LEU 15 6.181 -5.504 -12.893 262 HB3 LEU 15 HB3 LEU 15 7.664 -4.571 -13.063 263 HG LEU 15 HG LEU 15 5.294 -3.683 -11.370 264 HD11 LEU 15 HD11 LEU 15 6.297 -5.759 -10.510 265 HD12 LEU 15 HD12 LEU 15 6.685 -4.395 -9.448 266 HD13 LEU 15 HD13 LEU 15 7.910 -5.024 -10.572 267 HD21 LEU 15 HD21 LEU 15 6.745 -1.823 -12.069 268 HD22 LEU 15 HD22 LEU 15 8.177 -2.706 -11.510 269 HD23 LEU 15 HD23 LEU 15 6.941 -2.155 -10.349 270 H TYR 16 H TYR 16 5.211 -5.906 -15.086 271 HA TYR 16 HA TYR 16 7.100 -6.375 -17.126 272 HB2 TYR 16 HB2 TYR 16 5.910 -8.199 -16.351 273 HB3 TYR 16 HB3 TYR 16 4.363 -7.394 -16.564 274 HD1 TYR 16 HD1 TYR 16 7.163 -8.940 -18.470 275 HD2 TYR 16 HD2 TYR 16 3.065 -7.607 -18.510 276 HE1 TYR 16 HE1 TYR 16 6.855 -9.978 -20.715 277 HE2 TYR 16 HE2 TYR 16 2.744 -8.649 -20.756 278 HH TYR 16 HH TYR 16 5.402 -10.367 -22.450 279 H LEU 17 H LEU 17 4.240 -4.353 -17.349 280 HA LEU 17 HA LEU 17 4.408 -4.136 -20.267 281 HB2 LEU 17 HB2 LEU 17 2.273 -4.207 -19.036 282 HB3 LEU 17 HB3 LEU 17 2.725 -2.762 -18.134 283 HG LEU 17 HG LEU 17 2.694 -1.409 -20.217 284 HD11 LEU 17 HD11 LEU 17 3.169 -3.129 -21.911 285 HD12 LEU 17 HD12 LEU 17 1.617 -2.355 -22.249 286 HD13 LEU 17 HD13 LEU 17 1.656 -3.972 -21.509 287 HD21 LEU 17 HD21 LEU 17 0.251 -1.421 -20.502 288 HD22 LEU 17 HD22 LEU 17 0.701 -1.561 -18.791 289 HD23 LEU 17 HD23 LEU 17 0.151 -2.996 -19.683 290 H VAL 18 H VAL 18 5.308 -2.244 -17.436 291 HA VAL 18 HA VAL 18 6.109 0.172 -18.847 292 HB VAL 18 HB VAL 18 6.374 -0.902 -16.010 293 HG11 VAL 18 HG11 VAL 18 8.318 0.531 -16.281 294 HG12 VAL 18 HG12 VAL 18 7.308 1.810 -16.996 295 HG13 VAL 18 HG13 VAL 18 7.097 1.331 -15.296 296 HG21 VAL 18 HG21 VAL 18 4.860 1.471 -17.200 297 HG22 VAL 18 HG22 VAL 18 4.118 -0.099 -16.828 298 HG23 VAL 18 HG23 VAL 18 4.768 0.896 -15.517 299 H CYS 19 H CYS 19 7.965 -2.583 -17.361 300 HA CYS 19 HA CYS 19 10.459 -1.456 -18.560 301 HB2 CYS 19 HB2 CYS 19 9.867 -3.258 -16.215 302 HB3 CYS 19 HB3 CYS 19 11.508 -3.011 -16.819 303 H GLY 20 H GLY 20 8.284 -4.015 -19.238 304 HA2 GLY 20 HA2 GLY 20 8.400 -5.658 -20.867 305 HA3 GLY 20 HA3 GLY 20 10.015 -5.107 -21.291 306 H GLU 21 H GLU 21 11.767 -5.730 -19.842 307 HA GLU 21 HA GLU 21 11.497 -8.196 -18.252 308 HB2 GLU 21 HB2 GLU 21 12.831 -9.602 -19.655 309 HB3 GLU 21 HB3 GLU 21 11.446 -9.071 -20.562 310 HG2 GLU 21 HG2 GLU 21 14.223 -7.809 -20.805 311 HG3 GLU 21 HG3 GLU 21 13.680 -9.164 -21.779 312 H ARG 22 H ARG 22 12.693 -5.326 -18.161 313 HA ARG 22 HA ARG 22 15.489 -5.423 -18.234 314 HB2 ARG 22 HB2 ARG 22 13.573 -3.467 -17.796 315 HB3 ARG 22 HB3 ARG 22 14.281 -3.578 -16.203 316 HG2 ARG 22 HG2 ARG 22 15.327 -1.817 -17.544 317 HG3 ARG 22 HG3 ARG 22 16.506 -3.051 -17.110 318 HD2 ARG 22 HD2 ARG 22 16.629 -2.157 -19.489 319 HD3 ARG 22 HD3 ARG 22 16.601 -3.905 -19.318 320 HE ARG 22 HE ARG 22 14.102 -2.348 -19.912 321 HH11 ARG 22 HH11 ARG 22 12.581 -3.465 -21.105 322 HH12 ARG 22 HH12 ARG 22 13.147 -4.758 -22.171 323 HH21 ARG 22 HH21 ARG 22 16.296 -4.881 -21.075 324 HH22 ARG 22 HH22 ARG 22 14.994 -5.556 -22.060 325 H GLY 23 H GLY 23 13.453 -6.224 -15.489 326 HA2 GLY 23 HA2 GLY 23 14.544 -8.185 -14.249 327 HA3 GLY 23 HA3 GLY 23 15.902 -7.105 -13.951 328 H PHE 24 H PHE 24 12.334 -6.723 -13.653 329 HA PHE 24 HA PHE 24 12.649 -5.220 -11.220 330 HB2 PHE 24 HB2 PHE 24 10.044 -5.257 -11.320 331 HB3 PHE 24 HB3 PHE 24 11.004 -4.253 -12.377 332 HD1 PHE 24 HD1 PHE 24 9.050 -7.425 -12.238 333 HD2 PHE 24 HD2 PHE 24 11.095 -4.568 -14.720 334 HE1 PHE 24 HE1 PHE 24 8.176 -8.572 -14.269 335 HE2 PHE 24 HE2 PHE 24 10.238 -5.736 -16.766 336 HZ PHE 24 HZ PHE 24 8.814 -7.757 -16.526 337 H PHE 25 H PHE 25 11.707 -5.382 -9.251 338 HA PHE 25 HA PHE 25 10.635 -7.984 -8.487 339 HB2 PHE 25 HB2 PHE 25 12.754 -8.512 -7.834 340 HB3 PHE 25 HB3 PHE 25 13.092 -6.898 -7.223 341 HD1 PHE 25 HD1 PHE 25 10.878 -9.869 -6.554 342 HD2 PHE 25 HD2 PHE 25 12.959 -6.466 -4.907 343 HE1 PHE 25 HE1 PHE 25 10.283 -10.612 -4.259 344 HE2 PHE 25 HE2 PHE 25 12.403 -7.243 -2.615 345 HZ PHE 25 HZ PHE 25 11.070 -9.316 -2.287 346 H TYR 26 H TYR 26 8.883 -7.990 -7.402 347 HA TYR 26 HA TYR 26 7.751 -5.482 -6.518 348 HB2 TYR 26 HB2 TYR 26 5.691 -6.919 -6.082 349 HB3 TYR 26 HB3 TYR 26 6.230 -6.547 -7.705 350 HD1 TYR 26 HD1 TYR 26 7.143 -8.210 -9.224 351 HD2 TYR 26 HD2 TYR 26 5.868 -9.259 -5.237 352 HE1 TYR 26 HE1 TYR 26 7.225 -10.617 -9.836 353 HE2 TYR 26 HE2 TYR 26 5.918 -11.674 -5.864 354 HH TYR 26 HH TYR 26 6.893 -12.773 -9.135 355 H THR 27 H THR 27 9.376 -5.073 -4.891 356 HA THR 27 HA THR 27 9.828 -6.385 -2.611 357 HB THR 27 HB THR 27 9.545 -3.418 -2.432 358 HG1 THR 27 HG1 THR 27 11.547 -3.309 -3.456 359 HG21 THR 27 HG21 THR 27 11.635 -3.630 -1.159 360 HG22 THR 27 HG22 THR 27 11.636 -5.390 -1.416 361 HG23 THR 27 HG23 THR 27 10.367 -4.628 -0.437 362 HA PRO 28 HA PRO 28 5.928 -6.447 -0.337 363 HB2 PRO 28 HB2 PRO 28 7.627 -7.979 1.618 364 HB3 PRO 28 HB3 PRO 28 5.987 -8.365 0.998 365 HG2 PRO 28 HG2 PRO 28 8.149 -9.697 0.055 366 HG3 PRO 28 HG3 PRO 28 6.888 -9.125 -1.088 367 HD2 PRO 28 HD2 PRO 28 9.525 -7.789 -0.398 368 HD3 PRO 28 HD3 PRO 28 8.821 -8.144 -2.004 369 H LYS 29 H LYS 29 5.186 -5.736 1.795 370 HA LYS 29 HA LYS 29 6.542 -3.443 2.927 371 HB2 LYS 29 HB2 LYS 29 4.799 -3.488 4.647 372 HB3 LYS 29 HB3 LYS 29 4.135 -3.585 3.019 373 HG2 LYS 29 HG2 LYS 29 3.663 -5.977 3.289 374 HG3 LYS 29 HG3 LYS 29 4.534 -6.018 4.820 375 HD2 LYS 29 HD2 LYS 29 2.141 -6.004 5.247 376 HD3 LYS 29 HD3 LYS 29 2.910 -4.562 5.887 377 HE2 LYS 29 HE2 LYS 29 0.819 -3.901 4.900 378 HE3 LYS 29 HE3 LYS 29 2.118 -3.255 3.906 379 HZ1 LYS 29 HZ1 LYS 29 0.429 -4.203 2.516 380 HZ2 LYS 29 HZ2 LYS 29 0.464 -5.650 3.289 381 HZ3 LYS 29 HZ3 LYS 29 1.741 -5.169 2.379 382 H THR 30 H THR 30 7.526 -3.156 4.929 383 HA THR 30 HA THR 30 9.214 -5.374 5.719 384 HB THR 30 HB THR 30 10.548 -3.939 6.884 385 HG1 THR 30 HG1 THR 30 9.901 -1.905 7.570 386 HG21 THR 30 HG21 THR 30 10.490 -3.400 4.415 387 HG22 THR 30 HG22 THR 30 11.020 -2.063 5.452 388 HG23 THR 30 HG23 THR 30 9.378 -2.059 4.781 389 H LYS 31 H LYS 31 6.357 -4.001 7.153 390 HA LYS 31 HA LYS 31 6.752 -5.255 9.771 391 HB2 LYS 31 HB2 LYS 31 4.344 -3.853 8.549 392 HB3 LYS 31 HB3 LYS 31 4.418 -4.474 10.200 393 HG2 LYS 31 HG2 LYS 31 6.366 -2.991 10.686 394 HG3 LYS 31 HG3 LYS 31 6.290 -2.355 9.042 395 HD2 LYS 31 HD2 LYS 31 5.251 -0.783 10.518 396 HD3 LYS 31 HD3 LYS 31 3.996 -1.485 9.481 397 HE2 LYS 31 HE2 LYS 31 3.314 -3.004 11.325 398 HE3 LYS 31 HE3 LYS 31 4.611 -2.361 12.345 399 HZ1 LYS 31 HZ1 LYS 31 2.481 -1.309 12.841 400 HZ2 LYS 31 HZ2 LYS 31 2.317 -0.781 11.309 401 HZ3 LYS 31 HZ3 LYS 31 3.515 -0.187 12.250 402 H ARG 32 H ARG 32 5.690 -6.951 10.667 403 HA ARG 32 HA ARG 32 4.889 -9.175 8.971 404 HB2 ARG 32 HB2 ARG 32 6.147 -9.508 11.042 405 HB3 ARG 32 HB3 ARG 32 4.835 -8.797 11.994 406 HG2 ARG 32 HG2 ARG 32 3.340 -10.652 11.409 407 HG3 ARG 32 HG3 ARG 32 4.543 -11.303 10.285 408 HD2 ARG 32 HD2 ARG 32 4.561 -12.600 12.326 409 HD3 ARG 32 HD3 ARG 32 6.089 -11.744 12.160 410 HE ARG 32 HE ARG 32 3.844 -11.074 14.033 411 HH11 ARG 32 HH11 ARG 32 7.263 -10.766 13.332 412 HH12 ARG 32 HH12 ARG 32 7.598 -10.059 14.890 413 HH21 ARG 32 HH21 ARG 32 4.341 -10.130 15.968 414 HH22 ARG 32 HH22 ARG 32 5.987 -9.712 16.333 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 6.863 3.334 -2.735 2 H2 GLY 1 H2 GLY 1 7.501 3.064 -1.250 3 H3 GLY 1 H3 GLY 1 5.881 3.198 -1.428 4 HA2 GLY 1 HA2 GLY 1 7.536 1.030 -2.555 5 HA3 GLY 1 HA3 GLY 1 6.497 0.881 -1.131 6 H ILE 2 H ILE 2 6.634 0.910 -4.587 7 HA ILE 2 HA ILE 2 4.015 1.579 -5.272 8 HB ILE 2 HB ILE 2 6.053 1.385 -6.727 9 HG12 ILE 2 HG12 ILE 2 4.825 0.639 -8.789 10 HG13 ILE 2 HG13 ILE 2 3.431 0.284 -7.768 11 HG21 ILE 2 HG21 ILE 2 5.281 -1.549 -7.035 12 HG22 ILE 2 HG22 ILE 2 6.565 -0.683 -7.887 13 HG23 ILE 2 HG23 ILE 2 6.708 -0.965 -6.151 14 HD11 ILE 2 HD11 ILE 2 4.822 2.987 -7.952 15 HD12 ILE 2 HD12 ILE 2 3.382 2.528 -8.877 16 HD13 ILE 2 HD13 ILE 2 3.292 2.647 -7.109 17 H VAL 3 H VAL 3 5.251 -1.548 -4.252 18 HA VAL 3 HA VAL 3 3.076 -3.221 -4.846 19 HB VAL 3 HB VAL 3 5.377 -3.872 -4.107 20 HG11 VAL 3 HG11 VAL 3 5.881 -4.144 -1.758 21 HG12 VAL 3 HG12 VAL 3 5.521 -2.444 -2.047 22 HG13 VAL 3 HG13 VAL 3 4.306 -3.489 -1.271 23 HG21 VAL 3 HG21 VAL 3 4.688 -5.923 -2.985 24 HG22 VAL 3 HG22 VAL 3 3.103 -5.232 -2.611 25 HG23 VAL 3 HG23 VAL 3 3.578 -5.535 -4.300 26 H GLU 4 H GLU 4 3.360 -0.931 -2.173 27 HA GLU 4 HA GLU 4 0.711 -1.829 -1.105 28 HB2 GLU 4 HB2 GLU 4 2.501 -1.415 0.521 29 HB3 GLU 4 HB3 GLU 4 2.629 0.269 -0.021 30 HG2 GLU 4 HG2 GLU 4 0.357 0.737 0.715 31 HG3 GLU 4 HG3 GLU 4 0.048 -0.976 1.020 32 H GLN 5 H GLN 5 2.332 1.036 -2.529 33 HA GLN 5 HA GLN 5 0.194 2.815 -2.340 34 HB2 GLN 5 HB2 GLN 5 2.500 3.452 -2.788 35 HB3 GLN 5 HB3 GLN 5 2.428 2.691 -4.384 36 HG2 GLN 5 HG2 GLN 5 0.759 4.315 -5.147 37 HG3 GLN 5 HG3 GLN 5 0.697 5.043 -3.537 38 HE21 GLN 5 HE21 GLN 5 1.175 6.867 -5.358 39 HE22 GLN 5 HE22 GLN 5 2.884 7.275 -5.448 40 H CYS 6 H CYS 6 0.928 0.676 -5.194 41 HA CYS 6 HA CYS 6 -1.436 1.728 -6.583 42 HB2 CYS 6 HB2 CYS 6 0.893 0.808 -7.508 43 HB3 CYS 6 HB3 CYS 6 0.006 -0.718 -7.527 44 H CYS 7 H CYS 7 -0.837 -0.875 -4.354 45 HA CYS 7 HA CYS 7 -3.194 -2.458 -4.993 46 HB2 CYS 7 HB2 CYS 7 -1.075 -2.401 -2.946 47 HB3 CYS 7 HB3 CYS 7 -2.641 -2.939 -2.339 48 H THR 8 H THR 8 -2.432 0.118 -2.634 49 HA THR 8 HA THR 8 -5.204 0.203 -1.711 50 HB THR 8 HB THR 8 -3.114 0.241 -0.238 51 HG1 THR 8 HG1 THR 8 -5.066 0.485 0.684 52 HG21 THR 8 HG21 THR 8 -3.347 3.255 -0.703 53 HG22 THR 8 HG22 THR 8 -2.044 2.244 -1.358 54 HG23 THR 8 HG23 THR 8 -2.253 2.398 0.399 55 H SER 9 H SER 9 -3.324 2.150 -3.850 56 HA SER 9 HA SER 9 -5.572 4.062 -4.279 57 HB2 SER 9 HB2 SER 9 -3.891 4.968 -2.631 58 HB3 SER 9 HB3 SER 9 -2.670 4.887 -3.916 59 HG SER 9 HG SER 9 -3.750 6.951 -3.712 60 H ILE 10 H ILE 10 -4.534 5.588 -6.212 61 HA ILE 10 HA ILE 10 -4.133 3.708 -8.467 62 HB ILE 10 HB ILE 10 -4.237 6.671 -8.904 63 HG12 ILE 10 HG12 ILE 10 -6.145 6.406 -7.384 64 HG13 ILE 10 HG13 ILE 10 -6.645 6.757 -9.021 65 HG21 ILE 10 HG21 ILE 10 -3.807 5.277 -10.796 66 HG22 ILE 10 HG22 ILE 10 -5.220 4.268 -10.436 67 HG23 ILE 10 HG23 ILE 10 -5.435 5.953 -10.933 68 HD11 ILE 10 HD11 ILE 10 -8.083 5.053 -7.926 69 HD12 ILE 10 HD12 ILE 10 -7.320 4.433 -9.399 70 HD13 ILE 10 HD13 ILE 10 -6.695 3.958 -7.804 71 H CYS 11 H CYS 11 -2.329 3.840 -9.906 72 HA CYS 11 HA CYS 11 -0.080 5.625 -9.166 73 HB2 CYS 11 HB2 CYS 11 1.535 3.961 -9.074 74 HB3 CYS 11 HB3 CYS 11 0.242 3.382 -8.043 75 H SER 12 H SER 12 1.782 5.015 -10.946 76 HA SER 12 HA SER 12 0.568 5.203 -13.658 77 HB2 SER 12 HB2 SER 12 2.400 7.275 -12.384 78 HB3 SER 12 HB3 SER 12 1.939 7.234 -14.098 79 HG SER 12 HG SER 12 0.630 8.648 -12.853 80 H LEU 13 H LEU 13 2.056 5.002 -15.399 81 HA LEU 13 HA LEU 13 3.925 2.908 -15.179 82 HB2 LEU 13 HB2 LEU 13 4.086 5.066 -17.304 83 HB3 LEU 13 HB3 LEU 13 4.526 3.372 -17.440 84 HG LEU 13 HG LEU 13 1.701 4.510 -17.231 85 HD11 LEU 13 HD11 LEU 13 3.165 3.154 -19.534 86 HD12 LEU 13 HD12 LEU 13 2.799 4.885 -19.411 87 HD13 LEU 13 HD13 LEU 13 1.477 3.712 -19.551 88 HD21 LEU 13 HD21 LEU 13 2.554 1.613 -17.644 89 HD22 LEU 13 HD22 LEU 13 0.892 2.234 -17.681 90 HD23 LEU 13 HD23 LEU 13 1.804 2.259 -16.172 91 H TYR 14 H TYR 14 4.483 6.397 -15.075 92 HA TYR 14 HA TYR 14 7.297 6.506 -15.042 93 HB2 TYR 14 HB2 TYR 14 5.717 8.424 -15.251 94 HB3 TYR 14 HB3 TYR 14 5.238 8.190 -13.567 95 HD1 TYR 14 HD1 TYR 14 6.346 9.377 -11.859 96 HD2 TYR 14 HD2 TYR 14 8.234 8.870 -15.698 97 HE1 TYR 14 HE1 TYR 14 8.186 10.898 -11.143 98 HE2 TYR 14 HE2 TYR 14 10.086 10.408 -14.986 99 HH TYR 14 HH TYR 14 10.143 11.923 -11.734 100 H GLN 15 H GLN 15 5.011 5.804 -12.400 101 HA GLN 15 HA GLN 15 7.082 5.888 -10.355 102 HB2 GLN 15 HB2 GLN 15 4.209 4.883 -10.207 103 HB3 GLN 15 HB3 GLN 15 5.295 5.114 -8.835 104 HG2 GLN 15 HG2 GLN 15 4.305 7.338 -10.669 105 HG3 GLN 15 HG3 GLN 15 3.642 6.941 -9.090 106 HE21 GLN 15 HE21 GLN 15 5.912 9.793 -8.525 107 HE22 GLN 15 HE22 GLN 15 4.403 9.496 -9.374 108 H LEU 16 H LEU 16 5.395 3.418 -12.256 109 HA LEU 16 HA LEU 16 6.396 1.096 -10.912 110 HB2 LEU 16 HB2 LEU 16 5.273 1.652 -13.673 111 HB3 LEU 16 HB3 LEU 16 5.776 0.038 -13.230 112 HG LEU 16 HG LEU 16 3.785 1.561 -11.510 113 HD11 LEU 16 HD11 LEU 16 1.982 0.393 -12.769 114 HD12 LEU 16 HD12 LEU 16 3.187 -0.111 -13.977 115 HD13 LEU 16 HD13 LEU 16 2.829 1.613 -13.728 116 HD21 LEU 16 HD21 LEU 16 4.123 -1.426 -12.070 117 HD22 LEU 16 HD22 LEU 16 3.059 -0.677 -10.856 118 HD23 LEU 16 HD23 LEU 16 4.822 -0.593 -10.674 119 H GLU 17 H GLU 17 7.745 2.905 -13.761 120 HA GLU 17 HA GLU 17 9.851 1.004 -14.176 121 HB2 GLU 17 HB2 GLU 17 10.915 2.655 -15.608 122 HB3 GLU 17 HB3 GLU 17 9.216 2.462 -15.983 123 HG2 GLU 17 HG2 GLU 17 8.652 4.522 -14.852 124 HG3 GLU 17 HG3 GLU 17 10.326 4.737 -14.320 125 H ASN 18 H ASN 18 9.588 3.127 -11.558 126 HA ASN 18 HA ASN 18 12.438 3.508 -11.061 127 HB2 ASN 18 HB2 ASN 18 10.006 3.620 -9.242 128 HB3 ASN 18 HB3 ASN 18 11.635 4.053 -8.743 129 HD21 ASN 18 HD21 ASN 18 9.081 5.690 -9.020 130 HD22 ASN 18 HD22 ASN 18 9.615 7.060 -9.977 131 H TYR 19 H TYR 19 10.404 0.729 -10.894 132 HA TYR 19 HA TYR 19 12.004 -0.515 -8.746 133 HB2 TYR 19 HB2 TYR 19 9.248 -1.104 -9.772 134 HB3 TYR 19 HB3 TYR 19 10.092 -2.125 -8.627 135 HD1 TYR 19 HD1 TYR 19 10.273 -1.531 -6.283 136 HD2 TYR 19 HD2 TYR 19 8.762 1.313 -9.139 137 HE1 TYR 19 HE1 TYR 19 9.402 -0.134 -4.428 138 HE2 TYR 19 HE2 TYR 19 8.088 2.813 -7.289 139 HH TYR 19 HH TYR 19 8.146 3.163 -5.003 140 H CYS 20 H CYS 20 12.140 -0.679 -12.053 141 HA CYS 20 HA CYS 20 12.757 -3.347 -12.609 142 HB2 CYS 20 HB2 CYS 20 14.261 -1.023 -13.793 143 HB3 CYS 20 HB3 CYS 20 13.819 -2.546 -14.545 144 H LYS 21 H LYS 21 14.545 -4.652 -12.353 145 HA LYS 21 HA LYS 21 17.028 -3.693 -11.103 146 HB2 LYS 21 HB2 LYS 21 15.339 -3.888 -9.235 147 HB3 LYS 21 HB3 LYS 21 15.123 -5.580 -9.648 148 HG2 LYS 21 HG2 LYS 21 16.583 -5.325 -7.714 149 HG3 LYS 21 HG3 LYS 21 17.428 -6.105 -9.050 150 HD2 LYS 21 HD2 LYS 21 18.851 -4.479 -7.857 151 HD3 LYS 21 HD3 LYS 21 18.644 -4.031 -9.549 152 HE2 LYS 21 HE2 LYS 21 16.908 -2.369 -8.902 153 HE3 LYS 21 HE3 LYS 21 17.077 -2.849 -7.209 154 HZ1 LYS 21 HZ1 LYS 21 19.230 -1.636 -8.862 155 HZ2 LYS 21 HZ2 LYS 21 19.383 -2.069 -7.291 156 HZ3 LYS 21 HZ3 LYS 21 18.370 -0.860 -7.715 157 H1 PHE 1 H1 PHE 1 -12.044 9.405 -13.989 158 H2 PHE 1 H2 PHE 1 -12.250 9.832 -12.420 159 H3 PHE 1 H3 PHE 1 -11.935 8.272 -12.818 160 HA PHE 1 HA PHE 1 -10.127 10.522 -13.201 161 HB2 PHE 1 HB2 PHE 1 -8.646 9.369 -11.486 162 HB3 PHE 1 HB3 PHE 1 -10.030 10.288 -10.949 163 HD1 PHE 1 HD1 PHE 1 -11.708 9.296 -9.549 164 HD2 PHE 1 HD2 PHE 1 -8.868 6.788 -11.638 165 HE1 PHE 1 HE1 PHE 1 -12.527 7.319 -8.304 166 HE2 PHE 1 HE2 PHE 1 -9.700 4.815 -10.380 167 HZ PHE 1 HZ PHE 1 -11.527 5.076 -8.715 168 H VAL 2 H VAL 2 -7.913 10.068 -13.801 169 HA VAL 2 HA VAL 2 -7.690 8.014 -15.855 170 HB VAL 2 HB VAL 2 -5.543 8.787 -16.339 171 HG11 VAL 2 HG11 VAL 2 -5.877 11.138 -16.807 172 HG12 VAL 2 HG12 VAL 2 -7.429 10.300 -16.992 173 HG13 VAL 2 HG13 VAL 2 -7.105 11.285 -15.548 174 HG21 VAL 2 HG21 VAL 2 -5.544 10.361 -13.730 175 HG22 VAL 2 HG22 VAL 2 -4.511 8.972 -14.137 176 HG23 VAL 2 HG23 VAL 2 -4.328 10.486 -15.020 177 H ASN 3 H ASN 3 -6.048 6.346 -15.901 178 HA ASN 3 HA ASN 3 -5.267 4.388 -15.223 179 HB2 ASN 3 HB2 ASN 3 -4.187 6.114 -12.971 180 HB3 ASN 3 HB3 ASN 3 -3.609 4.521 -13.432 181 HD21 ASN 3 HD21 ASN 3 -1.624 6.070 -13.429 182 HD22 ASN 3 HD22 ASN 3 -1.245 6.763 -14.999 183 H GLN 4 H GLN 4 -4.845 2.903 -13.106 184 HA GLN 4 HA GLN 4 -7.341 2.631 -11.541 185 HB2 GLN 4 HB2 GLN 4 -7.645 0.338 -12.301 186 HB3 GLN 4 HB3 GLN 4 -7.746 1.458 -13.657 187 HG2 GLN 4 HG2 GLN 4 -5.685 0.760 -14.580 188 HG3 GLN 4 HG3 GLN 4 -5.118 0.045 -13.069 189 HE21 GLN 4 HE21 GLN 4 -6.126 -1.981 -12.296 190 HE22 GLN 4 HE22 GLN 4 -6.931 -3.022 -13.474 191 H HIS 5 H HIS 5 -7.196 0.792 -9.977 192 HA HIS 5 HA HIS 5 -4.697 0.676 -8.514 193 HB2 HIS 5 HB2 HIS 5 -7.143 -1.140 -8.390 194 HB3 HIS 5 HB3 HIS 5 -5.824 -1.103 -7.223 195 HD1 HIS 5 HD1 HIS 5 -5.528 1.544 -6.076 196 HD2 HIS 5 HD2 HIS 5 -9.222 0.203 -7.593 197 HE1 HIS 5 HE1 HIS 5 -7.346 2.936 -4.919 198 H LEU 6 H LEU 6 -3.273 -1.049 -8.332 199 HA LEU 6 HA LEU 6 -3.545 -3.431 -10.068 200 HB2 LEU 6 HB2 LEU 6 -1.021 -1.758 -9.978 201 HB3 LEU 6 HB3 LEU 6 -1.185 -3.321 -10.753 202 HG LEU 6 HG LEU 6 -2.808 -0.901 -11.639 203 HD11 LEU 6 HD11 LEU 6 -1.094 -0.710 -13.456 204 HD12 LEU 6 HD12 LEU 6 -0.076 -1.826 -12.509 205 HD13 LEU 6 HD13 LEU 6 -0.531 -0.259 -11.835 206 HD21 LEU 6 HD21 LEU 6 -3.000 -2.144 -13.745 207 HD22 LEU 6 HD22 LEU 6 -3.651 -3.099 -12.408 208 HD23 LEU 6 HD23 LEU 6 -2.044 -3.483 -13.073 209 H CYS 7 H CYS 7 -3.649 -4.970 -8.549 210 HA CYS 7 HA CYS 7 -1.747 -4.869 -6.261 211 HB2 CYS 7 HB2 CYS 7 -4.143 -4.067 -5.797 212 HB3 CYS 7 HB3 CYS 7 -4.647 -5.724 -6.055 213 H GLY 8 H GLY 8 -1.028 -6.876 -5.458 214 HA2 GLY 8 HA2 GLY 8 -0.264 -9.056 -5.685 215 HA3 GLY 8 HA3 GLY 8 -1.859 -9.460 -6.307 216 H SER 9 H SER 9 -1.598 -10.547 -8.201 217 HA SER 9 HA SER 9 0.681 -10.506 -9.870 218 HB2 SER 9 HB2 SER 9 -0.767 -11.708 -11.484 219 HB3 SER 9 HB3 SER 9 -0.858 -12.368 -9.838 220 HG SER 9 HG SER 9 -2.931 -12.129 -10.811 221 H HIS 10 H HIS 10 -2.232 -8.433 -10.059 222 HA HIS 10 HA HIS 10 -1.795 -7.385 -12.669 223 HB2 HIS 10 HB2 HIS 10 -3.130 -6.274 -10.181 224 HB3 HIS 10 HB3 HIS 10 -3.021 -5.346 -11.659 225 HD1 HIS 10 HD1 HIS 10 -4.293 -6.376 -13.860 226 HD2 HIS 10 HD2 HIS 10 -5.141 -8.000 -10.070 227 HE1 HIS 10 HE1 HIS 10 -6.525 -7.557 -14.083 228 H LEU 11 H LEU 11 -0.285 -6.434 -9.568 229 HA LEU 11 HA LEU 11 0.984 -4.040 -10.636 230 HB2 LEU 11 HB2 LEU 11 0.586 -4.415 -8.182 231 HB3 LEU 11 HB3 LEU 11 1.666 -5.793 -8.235 232 HG LEU 11 HG LEU 11 3.204 -3.676 -9.381 233 HD11 LEU 11 HD11 LEU 11 1.700 -2.717 -6.931 234 HD12 LEU 11 HD12 LEU 11 1.547 -2.086 -8.588 235 HD13 LEU 11 HD13 LEU 11 3.079 -1.917 -7.720 236 HD21 LEU 11 HD21 LEU 11 4.520 -3.862 -7.312 237 HD22 LEU 11 HD22 LEU 11 4.089 -5.442 -7.977 238 HD23 LEU 11 HD23 LEU 11 3.206 -4.816 -6.566 239 H VAL 12 H VAL 12 2.091 -7.426 -10.098 240 HA VAL 12 HA VAL 12 4.682 -7.041 -11.223 241 HB VAL 12 HB VAL 12 3.286 -9.715 -11.282 242 HG11 VAL 12 HG11 VAL 12 5.537 -9.576 -12.306 243 HG12 VAL 12 HG12 VAL 12 6.184 -8.889 -10.800 244 HG13 VAL 12 HG13 VAL 12 5.566 -10.554 -10.834 245 HG21 VAL 12 HG21 VAL 12 4.546 -8.356 -8.862 246 HG22 VAL 12 HG22 VAL 12 2.859 -8.911 -9.023 247 HG23 VAL 12 HG23 VAL 12 4.171 -10.085 -8.967 248 H GLU 13 H GLU 13 1.649 -8.017 -12.799 249 HA GLU 13 HA GLU 13 2.723 -8.388 -15.431 250 HB2 GLU 13 HB2 GLU 13 -0.023 -7.710 -14.350 251 HB3 GLU 13 HB3 GLU 13 0.295 -7.839 -16.085 252 HG2 GLU 13 HG2 GLU 13 1.111 -10.131 -15.830 253 HG3 GLU 13 HG3 GLU 13 0.849 -10.069 -14.091 254 H ALA 14 H ALA 14 1.914 -5.413 -13.659 255 HA ALA 14 HA ALA 14 2.087 -3.754 -16.078 256 HB1 ALA 14 HB1 ALA 14 0.616 -3.203 -14.187 257 HB2 ALA 14 HB2 ALA 14 2.033 -2.991 -13.135 258 HB3 ALA 14 HB3 ALA 14 1.782 -1.917 -14.530 259 H LEU 15 H LEU 15 4.222 -4.446 -13.252 260 HA LEU 15 HA LEU 15 6.506 -2.934 -14.099 261 HB2 LEU 15 HB2 LEU 15 6.306 -5.586 -12.597 262 HB3 LEU 15 HB3 LEU 15 7.782 -4.645 -12.743 263 HG LEU 15 HG LEU 15 5.252 -3.533 -11.488 264 HD11 LEU 15 HD11 LEU 15 6.261 -3.989 -9.317 265 HD12 LEU 15 HD12 LEU 15 7.651 -4.776 -10.098 266 HD13 LEU 15 HD13 LEU 15 6.032 -5.496 -10.206 267 HD21 LEU 15 HD21 LEU 15 6.880 -1.817 -12.192 268 HD22 LEU 15 HD22 LEU 15 8.179 -2.683 -11.349 269 HD23 LEU 15 HD23 LEU 15 6.853 -1.941 -10.431 270 H TYR 16 H TYR 16 5.549 -6.269 -14.849 271 HA TYR 16 HA TYR 16 7.561 -7.039 -16.594 272 HB2 TYR 16 HB2 TYR 16 6.116 -8.676 -15.903 273 HB3 TYR 16 HB3 TYR 16 4.700 -7.762 -16.352 274 HD1 TYR 16 HD1 TYR 16 7.190 -10.139 -17.527 275 HD2 TYR 16 HD2 TYR 16 3.930 -7.562 -18.699 276 HE1 TYR 16 HE1 TYR 16 7.028 -11.335 -19.708 277 HE2 TYR 16 HE2 TYR 16 3.788 -8.750 -20.890 278 HH TYR 16 HH TYR 16 6.212 -11.135 -21.889 279 H LEU 17 H LEU 17 4.896 -4.918 -17.461 280 HA LEU 17 HA LEU 17 5.673 -4.880 -20.304 281 HB2 LEU 17 HB2 LEU 17 3.314 -5.021 -19.674 282 HB3 LEU 17 HB3 LEU 17 3.456 -3.565 -18.686 283 HG LEU 17 HG LEU 17 3.890 -2.203 -20.724 284 HD11 LEU 17 HD11 LEU 17 3.396 -3.180 -22.948 285 HD12 LEU 17 HD12 LEU 17 3.284 -4.797 -22.218 286 HD13 LEU 17 HD13 LEU 17 4.832 -3.917 -22.223 287 HD21 LEU 17 HD21 LEU 17 1.359 -3.887 -20.847 288 HD22 LEU 17 HD22 LEU 17 1.599 -2.291 -21.584 289 HD23 LEU 17 HD23 LEU 17 1.611 -2.453 -19.821 290 H VAL 18 H VAL 18 5.626 -2.693 -17.495 291 HA VAL 18 HA VAL 18 6.513 -0.324 -18.886 292 HB VAL 18 HB VAL 18 6.349 -1.152 -15.964 293 HG11 VAL 18 HG11 VAL 18 8.149 0.420 -15.993 294 HG12 VAL 18 HG12 VAL 18 7.248 1.522 -17.076 295 HG13 VAL 18 HG13 VAL 18 6.706 1.238 -15.411 296 HG21 VAL 18 HG21 VAL 18 4.209 -0.703 -17.197 297 HG22 VAL 18 HG22 VAL 18 4.512 0.508 -15.941 298 HG23 VAL 18 HG23 VAL 18 4.831 0.900 -17.645 299 H CYS 19 H CYS 19 8.307 -2.687 -16.775 300 HA CYS 19 HA CYS 19 10.887 -1.481 -17.441 301 HB2 CYS 19 HB2 CYS 19 10.172 -4.138 -16.161 302 HB3 CYS 19 HB3 CYS 19 11.793 -3.475 -16.285 303 H GLY 20 H GLY 20 8.884 -4.131 -18.708 304 HA2 GLY 20 HA2 GLY 20 8.876 -4.998 -20.861 305 HA3 GLY 20 HA3 GLY 20 10.331 -4.076 -21.250 306 H GLU 21 H GLU 21 9.318 -6.822 -19.198 307 HA GLU 21 HA GLU 21 10.315 -8.757 -18.527 308 HB2 GLU 21 HB2 GLU 21 11.430 -8.732 -21.349 309 HB3 GLU 21 HB3 GLU 21 11.389 -10.130 -20.266 310 HG2 GLU 21 HG2 GLU 21 8.930 -9.923 -20.099 311 HG3 GLU 21 HG3 GLU 21 8.955 -8.654 -21.330 312 H ARG 22 H ARG 22 11.986 -6.230 -18.228 313 HA ARG 22 HA ARG 22 14.761 -6.989 -18.395 314 HB2 ARG 22 HB2 ARG 22 13.569 -4.737 -18.668 315 HB3 ARG 22 HB3 ARG 22 13.541 -4.645 -16.898 316 HG2 ARG 22 HG2 ARG 22 16.065 -4.750 -16.927 317 HG3 ARG 22 HG3 ARG 22 16.002 -4.764 -18.696 318 HD2 ARG 22 HD2 ARG 22 15.077 -2.555 -16.817 319 HD3 ARG 22 HD3 ARG 22 16.458 -2.513 -17.914 320 HE ARG 22 HE ARG 22 13.596 -2.722 -18.842 321 HH11 ARG 22 HH11 ARG 22 12.926 -1.592 -20.485 322 HH12 ARG 22 HH12 ARG 22 13.963 -0.443 -21.304 323 HH21 ARG 22 HH21 ARG 22 16.687 -1.104 -19.282 324 HH22 ARG 22 HH22 ARG 22 16.072 -0.161 -20.613 325 H GLY 23 H GLY 23 12.474 -7.488 -15.900 326 HA2 GLY 23 HA2 GLY 23 12.823 -8.641 -13.846 327 HA3 GLY 23 HA3 GLY 23 14.534 -8.227 -13.873 328 H PHE 24 H PHE 24 12.732 -7.897 -11.716 329 HA PHE 24 HA PHE 24 12.994 -5.148 -10.941 330 HB2 PHE 24 HB2 PHE 24 10.364 -5.077 -10.466 331 HB3 PHE 24 HB3 PHE 24 11.114 -4.409 -11.882 332 HD1 PHE 24 HD1 PHE 24 10.645 -5.134 -14.015 333 HD2 PHE 24 HD2 PHE 24 9.389 -7.511 -10.656 334 HE1 PHE 24 HE1 PHE 24 9.453 -6.678 -15.567 335 HE2 PHE 24 HE2 PHE 24 8.157 -9.033 -12.198 336 HZ PHE 24 HZ PHE 24 8.197 -8.627 -14.647 337 H PHE 25 H PHE 25 12.387 -4.572 -8.865 338 HA PHE 25 HA PHE 25 11.542 -6.721 -7.055 339 HB2 PHE 25 HB2 PHE 25 13.800 -7.023 -6.731 340 HB3 PHE 25 HB3 PHE 25 14.143 -5.300 -6.729 341 HD1 PHE 25 HD1 PHE 25 12.797 -8.094 -4.714 342 HD2 PHE 25 HD2 PHE 25 13.869 -3.917 -4.733 343 HE1 PHE 25 HE1 PHE 25 12.682 -8.051 -2.231 344 HE2 PHE 25 HE2 PHE 25 13.746 -3.874 -2.253 345 HZ PHE 25 HZ PHE 25 13.154 -5.945 -0.999 346 H TYR 26 H TYR 26 9.655 -6.065 -6.418 347 HA TYR 26 HA TYR 26 9.049 -3.272 -6.352 348 HB2 TYR 26 HB2 TYR 26 6.686 -4.068 -5.929 349 HB3 TYR 26 HB3 TYR 26 7.498 -4.367 -7.437 350 HD1 TYR 26 HD1 TYR 26 7.681 -6.535 -8.354 351 HD2 TYR 26 HD2 TYR 26 6.728 -6.036 -4.173 352 HE1 TYR 26 HE1 TYR 26 7.254 -8.979 -8.166 353 HE2 TYR 26 HE2 TYR 26 6.265 -8.483 -3.997 354 HH TYR 26 HH TYR 26 6.600 -10.701 -6.796 355 H THR 27 H THR 27 10.709 -4.365 -4.039 356 HA THR 27 HA THR 27 10.872 -4.300 -1.836 357 HB THR 27 HB THR 27 9.467 -1.702 -1.767 358 HG1 THR 27 HG1 THR 27 11.380 -0.794 -2.566 359 HG21 THR 27 HG21 THR 27 12.082 -2.714 -0.542 360 HG22 THR 27 HG22 THR 27 10.548 -2.535 0.327 361 HG23 THR 27 HG23 THR 27 11.365 -1.099 -0.305 362 HA PRO 28 HA PRO 28 6.645 -5.947 -0.671 363 HB2 PRO 28 HB2 PRO 28 7.455 -8.488 -0.063 364 HB3 PRO 28 HB3 PRO 28 6.944 -7.970 -1.693 365 HG2 PRO 28 HG2 PRO 28 9.779 -8.149 -0.608 366 HG3 PRO 28 HG3 PRO 28 9.137 -8.809 -2.152 367 HD2 PRO 28 HD2 PRO 28 10.425 -6.451 -2.098 368 HD3 PRO 28 HD3 PRO 28 8.975 -6.660 -3.120 369 H LYS 29 H LYS 29 5.974 -6.471 1.437 370 HA LYS 29 HA LYS 29 7.852 -6.031 3.696 371 HB2 LYS 29 HB2 LYS 29 6.700 -4.021 4.417 372 HB3 LYS 29 HB3 LYS 29 7.239 -3.812 2.755 373 HG2 LYS 29 HG2 LYS 29 4.801 -4.595 2.112 374 HG3 LYS 29 HG3 LYS 29 4.420 -4.209 3.795 375 HD2 LYS 29 HD2 LYS 29 5.543 -2.339 1.661 376 HD3 LYS 29 HD3 LYS 29 3.900 -2.343 2.301 377 HE2 LYS 29 HE2 LYS 29 4.753 -1.729 4.549 378 HE3 LYS 29 HE3 LYS 29 6.410 -1.716 3.922 379 HZ1 LYS 29 HZ1 LYS 29 5.468 0.524 3.928 380 HZ2 LYS 29 HZ2 LYS 29 4.198 0.047 2.999 381 HZ3 LYS 29 HZ3 LYS 29 5.717 0.065 2.383 382 H THR 30 H THR 30 6.685 -6.010 5.809 383 HA THR 30 HA THR 30 5.103 -8.381 6.036 384 HB THR 30 HB THR 30 5.358 -8.372 8.266 385 HG1 THR 30 HG1 THR 30 5.639 -6.478 9.496 386 HG21 THR 30 HG21 THR 30 7.639 -6.465 7.584 387 HG22 THR 30 HG22 THR 30 7.645 -8.208 7.216 388 HG23 THR 30 HG23 THR 30 7.564 -7.653 8.895 389 H LYS 31 H LYS 31 3.154 -8.672 7.291 390 HA LYS 31 HA LYS 31 0.939 -7.018 6.353 391 HB2 LYS 31 HB2 LYS 31 -0.472 -8.689 7.414 392 HB3 LYS 31 HB3 LYS 31 0.774 -9.453 6.432 393 HG2 LYS 31 HG2 LYS 31 2.084 -10.011 8.456 394 HG3 LYS 31 HG3 LYS 31 0.943 -9.123 9.469 395 HD2 LYS 31 HD2 LYS 31 0.503 -11.477 9.672 396 HD3 LYS 31 HD3 LYS 31 -0.861 -10.708 8.846 397 HE2 LYS 31 HE2 LYS 31 0.037 -11.491 6.655 398 HE3 LYS 31 HE3 LYS 31 1.417 -12.229 7.480 399 HZ1 LYS 31 HZ1 LYS 31 -0.317 -13.865 7.035 400 HZ2 LYS 31 HZ2 LYS 31 -1.425 -13.008 7.875 401 HZ3 LYS 31 HZ3 LYS 31 -0.153 -13.687 8.648 402 H ARG 32 H ARG 32 3.011 -6.197 8.635 403 HA ARG 32 HA ARG 32 3.091 -4.992 10.545 404 HB2 ARG 32 HB2 ARG 32 0.402 -3.891 9.653 405 HB3 ARG 32 HB3 ARG 32 1.464 -3.193 10.876 406 HG2 ARG 32 HG2 ARG 32 3.243 -2.867 9.166 407 HG3 ARG 32 HG3 ARG 32 2.152 -3.500 7.917 408 HD2 ARG 32 HD2 ARG 32 0.514 -1.695 8.468 409 HD3 ARG 32 HD3 ARG 32 1.634 -1.069 9.678 410 HE ARG 32 HE ARG 32 3.074 -0.259 8.006 411 HH11 ARG 32 HH11 ARG 32 0.306 -1.793 6.452 412 HH12 ARG 32 HH12 ARG 32 0.595 -0.886 4.966 413 HH21 ARG 32 HH21 ARG 32 3.322 0.765 6.040 414 HH22 ARG 32 HH22 ARG 32 2.295 0.290 4.692 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 5.451 0.152 0.313 2 H2 GLY 1 H2 GLY 1 5.985 1.478 -0.486 3 H3 GLY 1 H3 GLY 1 7.040 0.557 0.371 4 HA2 GLY 1 HA2 GLY 1 7.312 0.121 -1.970 5 HA3 GLY 1 HA3 GLY 1 6.691 -1.315 -1.127 6 H ILE 2 H ILE 2 6.371 0.025 -3.977 7 HA ILE 2 HA ILE 2 3.730 0.935 -4.159 8 HB ILE 2 HB ILE 2 5.627 1.301 -5.753 9 HG12 ILE 2 HG12 ILE 2 3.174 0.521 -7.353 10 HG13 ILE 2 HG13 ILE 2 3.012 1.731 -6.079 11 HG21 ILE 2 HG21 ILE 2 5.874 -0.219 -7.679 12 HG22 ILE 2 HG22 ILE 2 6.208 -1.104 -6.180 13 HG23 ILE 2 HG23 ILE 2 4.671 -1.322 -7.020 14 HD11 ILE 2 HD11 ILE 2 5.026 1.923 -8.335 15 HD12 ILE 2 HD12 ILE 2 3.470 2.780 -8.240 16 HD13 ILE 2 HD13 ILE 2 4.735 3.108 -7.033 17 H VAL 3 H VAL 3 4.791 -2.399 -4.219 18 HA VAL 3 HA VAL 3 2.451 -3.604 -5.268 19 HB VAL 3 HB VAL 3 4.674 -4.677 -4.783 20 HG11 VAL 3 HG11 VAL 3 4.863 -4.036 -2.372 21 HG12 VAL 3 HG12 VAL 3 3.494 -5.115 -1.998 22 HG13 VAL 3 HG13 VAL 3 5.007 -5.777 -2.654 23 HG21 VAL 3 HG21 VAL 3 2.199 -6.194 -3.868 24 HG22 VAL 3 HG22 VAL 3 2.703 -5.941 -5.553 25 HG23 VAL 3 HG23 VAL 3 3.722 -6.892 -4.460 26 H GLU 4 H GLU 4 2.934 -2.103 -2.140 27 HA GLU 4 HA GLU 4 0.216 -2.901 -1.236 28 HB2 GLU 4 HB2 GLU 4 2.071 -2.875 0.412 29 HB3 GLU 4 HB3 GLU 4 2.321 -1.152 0.088 30 HG2 GLU 4 HG2 GLU 4 -0.052 -0.730 0.842 31 HG3 GLU 4 HG3 GLU 4 -0.201 -2.454 1.219 32 H GLN 5 H GLN 5 2.076 0.089 -2.177 33 HA GLN 5 HA GLN 5 -0.076 1.840 -1.532 34 HB2 GLN 5 HB2 GLN 5 2.255 2.255 -3.439 35 HB3 GLN 5 HB3 GLN 5 1.180 3.526 -2.878 36 HG2 GLN 5 HG2 GLN 5 1.967 3.433 -0.659 37 HG3 GLN 5 HG3 GLN 5 2.673 1.828 -0.850 38 HE21 GLN 5 HE21 GLN 5 3.071 5.090 -2.441 39 HE22 GLN 5 HE22 GLN 5 4.825 4.942 -2.482 40 H CYS 6 H CYS 6 0.671 0.213 -4.625 41 HA CYS 6 HA CYS 6 -1.550 1.582 -5.983 42 HB2 CYS 6 HB2 CYS 6 0.744 0.769 -6.952 43 HB3 CYS 6 HB3 CYS 6 -0.078 -0.775 -7.124 44 H CYS 7 H CYS 7 -1.358 -1.078 -3.824 45 HA CYS 7 HA CYS 7 -3.724 -2.470 -4.946 46 HB2 CYS 7 HB2 CYS 7 -1.924 -3.752 -3.754 47 HB3 CYS 7 HB3 CYS 7 -2.292 -2.845 -2.289 48 H THR 8 H THR 8 -2.868 -0.479 -2.050 49 HA THR 8 HA THR 8 -5.668 -0.169 -1.314 50 HB THR 8 HB THR 8 -5.042 0.799 0.660 51 HG1 THR 8 HG1 THR 8 -3.039 1.700 1.037 52 HG21 THR 8 HG21 THR 8 -3.366 -0.593 1.663 53 HG22 THR 8 HG22 THR 8 -2.638 -0.990 0.092 54 HG23 THR 8 HG23 THR 8 -4.268 -1.581 0.503 55 H SER 9 H SER 9 -3.687 1.642 -3.384 56 HA SER 9 HA SER 9 -5.787 3.676 -3.769 57 HB2 SER 9 HB2 SER 9 -4.102 4.523 -2.012 58 HB3 SER 9 HB3 SER 9 -2.897 4.490 -3.307 59 HG SER 9 HG SER 9 -5.208 6.107 -3.003 60 H ILE 10 H ILE 10 -4.644 5.223 -5.616 61 HA ILE 10 HA ILE 10 -4.116 3.419 -7.907 62 HB ILE 10 HB ILE 10 -4.377 5.390 -9.282 63 HG12 ILE 10 HG12 ILE 10 -4.556 6.983 -6.688 64 HG13 ILE 10 HG13 ILE 10 -3.318 7.108 -7.948 65 HG21 ILE 10 HG21 ILE 10 -6.604 5.421 -7.211 66 HG22 ILE 10 HG22 ILE 10 -6.725 5.720 -8.963 67 HG23 ILE 10 HG23 ILE 10 -6.373 4.102 -8.364 68 HD11 ILE 10 HD11 ILE 10 -4.822 8.958 -8.189 69 HD12 ILE 10 HD12 ILE 10 -5.106 7.854 -9.555 70 HD13 ILE 10 HD13 ILE 10 -6.243 7.900 -8.179 71 H CYS 11 H CYS 11 -2.342 3.864 -9.422 72 HA CYS 11 HA CYS 11 -0.136 5.560 -8.486 73 HB2 CYS 11 HB2 CYS 11 1.559 3.935 -8.614 74 HB3 CYS 11 HB3 CYS 11 0.355 3.345 -7.492 75 H SER 12 H SER 12 1.668 5.615 -10.188 76 HA SER 12 HA SER 12 0.472 5.731 -12.919 77 HB2 SER 12 HB2 SER 12 1.739 7.712 -13.338 78 HB3 SER 12 HB3 SER 12 0.884 7.945 -11.806 79 HG SER 12 HG SER 12 3.033 8.579 -11.561 80 H LEU 13 H LEU 13 2.019 5.611 -14.712 81 HA LEU 13 HA LEU 13 3.793 3.369 -14.574 82 HB2 LEU 13 HB2 LEU 13 3.854 5.588 -16.637 83 HB3 LEU 13 HB3 LEU 13 4.436 3.937 -16.811 84 HG LEU 13 HG LEU 13 1.550 4.891 -16.637 85 HD11 LEU 13 HD11 LEU 13 2.665 5.210 -18.806 86 HD12 LEU 13 HD12 LEU 13 1.380 3.990 -18.912 87 HD13 LEU 13 HD13 LEU 13 3.084 3.486 -18.852 88 HD21 LEU 13 HD21 LEU 13 2.506 2.011 -16.894 89 HD22 LEU 13 HD22 LEU 13 0.826 2.579 -17.016 90 HD23 LEU 13 HD23 LEU 13 1.685 2.708 -15.477 91 H TYR 14 H TYR 14 4.370 6.880 -14.288 92 HA TYR 14 HA TYR 14 7.206 6.749 -14.170 93 HB2 TYR 14 HB2 TYR 14 5.253 8.804 -13.145 94 HB3 TYR 14 HB3 TYR 14 6.997 8.983 -13.034 95 HD1 TYR 14 HD1 TYR 14 8.411 8.761 -15.198 96 HD2 TYR 14 HD2 TYR 14 4.163 9.501 -15.161 97 HE1 TYR 14 HE1 TYR 14 8.548 9.649 -17.519 98 HE2 TYR 14 HE2 TYR 14 4.294 10.385 -17.487 99 HH TYR 14 HH TYR 14 7.392 10.538 -19.294 100 H GLN 15 H GLN 15 4.872 6.211 -11.571 101 HA GLN 15 HA GLN 15 6.983 6.022 -9.543 102 HB2 GLN 15 HB2 GLN 15 4.045 5.251 -9.506 103 HB3 GLN 15 HB3 GLN 15 5.131 5.109 -8.127 104 HG2 GLN 15 HG2 GLN 15 4.471 7.717 -9.525 105 HG3 GLN 15 HG3 GLN 15 3.718 7.142 -8.045 106 HE21 GLN 15 HE21 GLN 15 4.897 9.615 -8.011 107 HE22 GLN 15 HE22 GLN 15 6.390 9.541 -7.080 108 H LEU 16 H LEU 16 5.284 3.743 -11.668 109 HA LEU 16 HA LEU 16 6.337 1.329 -10.466 110 HB2 LEU 16 HB2 LEU 16 5.134 1.977 -13.183 111 HB3 LEU 16 HB3 LEU 16 5.594 0.356 -12.727 112 HG LEU 16 HG LEU 16 3.592 1.977 -11.097 113 HD11 LEU 16 HD11 LEU 16 1.853 0.660 -12.281 114 HD12 LEU 16 HD12 LEU 16 3.106 -0.016 -13.345 115 HD13 LEU 16 HD13 LEU 16 2.736 1.722 -13.381 116 HD21 LEU 16 HD21 LEU 16 4.595 0.024 -9.932 117 HD22 LEU 16 HD22 LEU 16 4.119 -1.019 -11.290 118 HD23 LEU 16 HD23 LEU 16 2.881 -0.223 -10.297 119 H GLU 17 H GLU 17 7.607 3.497 -12.995 120 HA GLU 17 HA GLU 17 9.734 1.907 -13.956 121 HB2 GLU 17 HB2 GLU 17 9.428 4.903 -13.569 122 HB3 GLU 17 HB3 GLU 17 10.927 4.210 -14.195 123 HG2 GLU 17 HG2 GLU 17 9.687 3.108 -16.018 124 HG3 GLU 17 HG3 GLU 17 8.191 3.849 -15.454 125 H ASN 18 H ASN 18 9.460 3.162 -10.747 126 HA ASN 18 HA ASN 18 12.259 3.169 -10.022 127 HB2 ASN 18 HB2 ASN 18 9.679 2.888 -8.420 128 HB3 ASN 18 HB3 ASN 18 11.270 3.003 -7.682 129 HD21 ASN 18 HD21 ASN 18 8.640 4.817 -8.519 130 HD22 ASN 18 HD22 ASN 18 9.434 6.389 -8.531 131 H TYR 19 H TYR 19 10.107 0.507 -10.681 132 HA TYR 19 HA TYR 19 11.564 -1.270 -8.846 133 HB2 TYR 19 HB2 TYR 19 8.832 -1.401 -10.029 134 HB3 TYR 19 HB3 TYR 19 9.581 -2.786 -9.239 135 HD1 TYR 19 HD1 TYR 19 9.879 -2.897 -6.863 136 HD2 TYR 19 HD2 TYR 19 8.451 0.731 -8.704 137 HE1 TYR 19 HE1 TYR 19 9.338 -1.968 -4.609 138 HE2 TYR 19 HE2 TYR 19 7.995 1.693 -6.458 139 HH TYR 19 HH TYR 19 8.991 0.095 -3.478 140 H CYS 20 H CYS 20 11.613 -0.698 -12.126 141 HA CYS 20 HA CYS 20 12.384 -3.146 -13.276 142 HB2 CYS 20 HB2 CYS 20 13.582 -0.428 -13.877 143 HB3 CYS 20 HB3 CYS 20 13.403 -1.795 -14.966 144 H LYS 21 H LYS 21 14.366 -4.173 -13.555 145 HA LYS 21 HA LYS 21 16.820 -3.246 -12.212 146 HB2 LYS 21 HB2 LYS 21 15.624 -4.404 -10.422 147 HB3 LYS 21 HB3 LYS 21 15.356 -5.801 -11.465 148 HG2 LYS 21 HG2 LYS 21 17.813 -6.213 -11.546 149 HG3 LYS 21 HG3 LYS 21 18.076 -4.779 -10.549 150 HD2 LYS 21 HD2 LYS 21 18.245 -6.765 -9.181 151 HD3 LYS 21 HD3 LYS 21 16.811 -5.853 -8.687 152 HE2 LYS 21 HE2 LYS 21 15.352 -7.391 -9.931 153 HE3 LYS 21 HE3 LYS 21 16.748 -8.216 -10.615 154 HZ1 LYS 21 HZ1 LYS 21 16.083 -8.166 -7.716 155 HZ2 LYS 21 HZ2 LYS 21 17.342 -8.968 -8.389 156 HZ3 LYS 21 HZ3 LYS 21 15.814 -9.427 -8.722 157 H1 PHE 1 H1 PHE 1 -4.535 -0.454 -17.305 158 H2 PHE 1 H2 PHE 1 -4.696 -0.087 -15.716 159 H3 PHE 1 H3 PHE 1 -3.208 -0.161 -16.392 160 HA PHE 1 HA PHE 1 -3.654 1.662 -17.797 161 HB2 PHE 1 HB2 PHE 1 -6.395 1.640 -16.571 162 HB3 PHE 1 HB3 PHE 1 -5.716 3.094 -17.276 163 HD1 PHE 1 HD1 PHE 1 -4.890 3.077 -19.703 164 HD2 PHE 1 HD2 PHE 1 -7.361 -0.043 -18.019 165 HE1 PHE 1 HE1 PHE 1 -5.511 2.332 -21.985 166 HE2 PHE 1 HE2 PHE 1 -7.986 -0.772 -20.314 167 HZ PHE 1 HZ PHE 1 -7.060 0.415 -22.289 168 H VAL 2 H VAL 2 -3.186 3.854 -17.354 169 HA VAL 2 HA VAL 2 -1.790 4.224 -14.864 170 HB VAL 2 HB VAL 2 -1.153 5.132 -17.141 171 HG11 VAL 2 HG11 VAL 2 -3.051 7.404 -16.405 172 HG12 VAL 2 HG12 VAL 2 -1.935 7.344 -17.768 173 HG13 VAL 2 HG13 VAL 2 -3.326 6.241 -17.720 174 HG21 VAL 2 HG21 VAL 2 -0.010 5.721 -15.062 175 HG22 VAL 2 HG22 VAL 2 -0.022 7.056 -16.232 176 HG23 VAL 2 HG23 VAL 2 -1.108 7.105 -14.837 177 H ASN 3 H ASN 3 -2.153 5.770 -13.161 178 HA ASN 3 HA ASN 3 -3.338 6.571 -11.504 179 HB2 ASN 3 HB2 ASN 3 -4.966 7.916 -13.685 180 HB3 ASN 3 HB3 ASN 3 -4.850 8.368 -11.978 181 HD21 ASN 3 HD21 ASN 3 -2.646 8.983 -11.132 182 HD22 ASN 3 HD22 ASN 3 -1.620 9.845 -12.268 183 H GLN 4 H GLN 4 -3.980 3.979 -12.067 184 HA GLN 4 HA GLN 4 -6.643 3.790 -10.794 185 HB2 GLN 4 HB2 GLN 4 -6.924 3.407 -13.228 186 HB3 GLN 4 HB3 GLN 4 -5.735 2.107 -13.166 187 HG2 GLN 4 HG2 GLN 4 -8.046 1.280 -13.233 188 HG3 GLN 4 HG3 GLN 4 -7.221 0.736 -11.790 189 HE21 GLN 4 HE21 GLN 4 -9.585 3.197 -12.982 190 HE22 GLN 4 HE22 GLN 4 -10.304 3.473 -11.405 191 H HIS 5 H HIS 5 -6.938 1.763 -9.615 192 HA HIS 5 HA HIS 5 -4.656 0.971 -8.048 193 HB2 HIS 5 HB2 HIS 5 -7.362 -0.393 -8.333 194 HB3 HIS 5 HB3 HIS 5 -6.197 -0.628 -7.037 195 HD1 HIS 5 HD1 HIS 5 -8.633 2.115 -8.327 196 HD2 HIS 5 HD2 HIS 5 -6.391 0.941 -4.960 197 HE1 HIS 5 HE1 HIS 5 -9.333 3.661 -6.421 198 H LEU 6 H LEU 6 -3.392 -0.785 -8.147 199 HA LEU 6 HA LEU 6 -3.863 -3.038 -10.011 200 HB2 LEU 6 HB2 LEU 6 -1.240 -1.528 -9.881 201 HB3 LEU 6 HB3 LEU 6 -1.542 -2.985 -10.790 202 HG LEU 6 HG LEU 6 -2.951 -0.351 -11.379 203 HD11 LEU 6 HD11 LEU 6 -1.285 -0.190 -13.223 204 HD12 LEU 6 HD12 LEU 6 -0.426 -1.582 -12.489 205 HD13 LEU 6 HD13 LEU 6 -0.577 -0.061 -11.598 206 HD21 LEU 6 HD21 LEU 6 -2.537 -2.850 -13.087 207 HD22 LEU 6 HD22 LEU 6 -3.391 -1.368 -13.559 208 HD23 LEU 6 HD23 LEU 6 -4.068 -2.402 -12.296 209 H CYS 7 H CYS 7 -4.371 -4.183 -8.144 210 HA CYS 7 HA CYS 7 -2.321 -4.498 -6.013 211 HB2 CYS 7 HB2 CYS 7 -4.825 -4.290 -5.527 212 HB3 CYS 7 HB3 CYS 7 -5.003 -5.898 -6.227 213 H GLY 8 H GLY 8 -1.056 -6.322 -5.759 214 HA2 GLY 8 HA2 GLY 8 -0.079 -8.382 -6.170 215 HA3 GLY 8 HA3 GLY 8 -1.695 -8.919 -6.606 216 H SER 9 H SER 9 -1.688 -9.934 -8.530 217 HA SER 9 HA SER 9 0.435 -9.889 -10.404 218 HB2 SER 9 HB2 SER 9 -1.116 -11.172 -11.842 219 HB3 SER 9 HB3 SER 9 -1.059 -11.777 -10.178 220 HG SER 9 HG SER 9 -3.212 -11.602 -10.988 221 H HIS 10 H HIS 10 -2.435 -7.801 -10.257 222 HA HIS 10 HA HIS 10 -2.312 -6.720 -12.908 223 HB2 HIS 10 HB2 HIS 10 -3.199 -5.523 -10.255 224 HB3 HIS 10 HB3 HIS 10 -3.324 -4.684 -11.787 225 HD1 HIS 10 HD1 HIS 10 -5.052 -5.700 -13.626 226 HD2 HIS 10 HD2 HIS 10 -5.181 -7.222 -9.705 227 HE1 HIS 10 HE1 HIS 10 -7.306 -6.839 -13.385 228 H LEU 11 H LEU 11 -0.389 -5.988 -9.992 229 HA LEU 11 HA LEU 11 0.849 -3.598 -11.072 230 HB2 LEU 11 HB2 LEU 11 0.657 -4.254 -8.610 231 HB3 LEU 11 HB3 LEU 11 1.857 -5.493 -8.911 232 HG LEU 11 HG LEU 11 3.031 -3.154 -10.010 233 HD11 LEU 11 HD11 LEU 11 2.859 -1.490 -8.269 234 HD12 LEU 11 HD12 LEU 11 1.735 -2.504 -7.336 235 HD13 LEU 11 HD13 LEU 11 1.252 -1.834 -8.912 236 HD21 LEU 11 HD21 LEU 11 3.448 -4.363 -7.258 237 HD22 LEU 11 HD22 LEU 11 4.592 -3.334 -8.159 238 HD23 LEU 11 HD23 LEU 11 4.172 -4.941 -8.776 239 H VAL 12 H VAL 12 1.814 -7.044 -10.806 240 HA VAL 12 HA VAL 12 4.327 -6.799 -12.113 241 HB VAL 12 HB VAL 12 2.633 -9.302 -12.256 242 HG11 VAL 12 HG11 VAL 12 5.630 -8.818 -12.034 243 HG12 VAL 12 HG12 VAL 12 4.840 -10.411 -12.102 244 HG13 VAL 12 HG13 VAL 12 4.759 -9.331 -13.497 245 HG21 VAL 12 HG21 VAL 12 3.665 -9.974 -10.086 246 HG22 VAL 12 HG22 VAL 12 4.261 -8.312 -9.882 247 HG23 VAL 12 HG23 VAL 12 2.517 -8.656 -9.910 248 H GLU 13 H GLU 13 1.105 -7.408 -13.492 249 HA GLU 13 HA GLU 13 1.926 -7.670 -16.218 250 HB2 GLU 13 HB2 GLU 13 -0.277 -8.360 -15.368 251 HB3 GLU 13 HB3 GLU 13 -0.652 -6.703 -14.938 252 HG2 GLU 13 HG2 GLU 13 -1.867 -7.239 -16.892 253 HG3 GLU 13 HG3 GLU 13 -0.655 -6.047 -17.321 254 H ALA 14 H ALA 14 1.427 -4.775 -14.212 255 HA ALA 14 HA ALA 14 1.655 -2.943 -16.482 256 HB1 ALA 14 HB1 ALA 14 0.321 -2.428 -14.488 257 HB2 ALA 14 HB2 ALA 14 1.789 -2.437 -13.483 258 HB3 ALA 14 HB3 ALA 14 1.593 -1.223 -14.763 259 H LEU 15 H LEU 15 3.857 -3.983 -13.816 260 HA LEU 15 HA LEU 15 6.187 -2.551 -14.616 261 HB2 LEU 15 HB2 LEU 15 5.892 -5.293 -13.327 262 HB3 LEU 15 HB3 LEU 15 7.416 -4.425 -13.460 263 HG LEU 15 HG LEU 15 5.012 -3.312 -12.004 264 HD11 LEU 15 HD11 LEU 15 7.445 -4.779 -10.910 265 HD12 LEU 15 HD12 LEU 15 5.765 -5.362 -10.884 266 HD13 LEU 15 HD13 LEU 15 6.223 -3.945 -9.928 267 HD21 LEU 15 HD21 LEU 15 7.960 -2.554 -11.936 268 HD22 LEU 15 HD22 LEU 15 6.662 -1.803 -10.971 269 HD23 LEU 15 HD23 LEU 15 6.680 -1.615 -12.728 270 H TYR 16 H TYR 16 5.008 -5.708 -15.645 271 HA TYR 16 HA TYR 16 6.981 -6.451 -17.464 272 HB2 TYR 16 HB2 TYR 16 5.407 -8.035 -16.906 273 HB3 TYR 16 HB3 TYR 16 4.058 -6.991 -17.309 274 HD1 TYR 16 HD1 TYR 16 6.510 -9.348 -18.658 275 HD2 TYR 16 HD2 TYR 16 3.282 -6.650 -19.594 276 HE1 TYR 16 HE1 TYR 16 6.316 -10.371 -20.920 277 HE2 TYR 16 HE2 TYR 16 3.088 -7.673 -21.865 278 HH TYR 16 HH TYR 16 5.213 -10.351 -22.933 279 H LEU 17 H LEU 17 4.463 -4.088 -18.090 280 HA LEU 17 HA LEU 17 5.300 -3.739 -20.897 281 HB2 LEU 17 HB2 LEU 17 2.917 -3.799 -20.310 282 HB3 LEU 17 HB3 LEU 17 3.146 -2.491 -19.155 283 HG LEU 17 HG LEU 17 3.720 -0.928 -21.009 284 HD11 LEU 17 HD11 LEU 17 4.570 -2.502 -22.699 285 HD12 LEU 17 HD12 LEU 17 3.190 -1.617 -23.348 286 HD13 LEU 17 HD13 LEU 17 2.982 -3.298 -22.796 287 HD21 LEU 17 HD21 LEU 17 1.443 -0.757 -21.905 288 HD22 LEU 17 HD22 LEU 17 1.418 -1.106 -20.170 289 HD23 LEU 17 HD23 LEU 17 1.074 -2.400 -21.338 290 H VAL 18 H VAL 18 5.376 -1.948 -17.818 291 HA VAL 18 HA VAL 18 6.415 0.534 -18.804 292 HB VAL 18 HB VAL 18 6.312 -0.814 -16.080 293 HG11 VAL 18 HG11 VAL 18 6.892 1.380 -15.070 294 HG12 VAL 18 HG12 VAL 18 8.249 0.607 -15.885 295 HG13 VAL 18 HG13 VAL 18 7.390 1.952 -16.682 296 HG21 VAL 18 HG21 VAL 18 4.188 0.042 -17.114 297 HG22 VAL 18 HG22 VAL 18 4.620 0.906 -15.631 298 HG23 VAL 18 HG23 VAL 18 4.925 1.649 -17.218 299 H CYS 19 H CYS 19 8.101 -2.244 -17.210 300 HA CYS 19 HA CYS 19 10.739 -1.077 -17.755 301 HB2 CYS 19 HB2 CYS 19 9.944 -3.782 -16.649 302 HB3 CYS 19 HB3 CYS 19 11.551 -3.069 -16.570 303 H GLY 20 H GLY 20 8.609 -3.502 -19.218 304 HA2 GLY 20 HA2 GLY 20 8.755 -4.464 -21.340 305 HA3 GLY 20 HA3 GLY 20 10.379 -3.810 -21.557 306 H GLU 21 H GLU 21 8.803 -6.063 -19.256 307 HA GLU 21 HA GLU 21 9.520 -7.915 -18.170 308 HB2 GLU 21 HB2 GLU 21 9.826 -9.849 -19.530 309 HB3 GLU 21 HB3 GLU 21 8.533 -8.833 -20.135 310 HG2 GLU 21 HG2 GLU 21 9.882 -8.057 -21.988 311 HG3 GLU 21 HG3 GLU 21 11.316 -8.875 -21.355 312 H ARG 22 H ARG 22 11.496 -5.927 -18.149 313 HA ARG 22 HA ARG 22 14.106 -6.812 -18.751 314 HB2 ARG 22 HB2 ARG 22 13.097 -4.492 -18.374 315 HB3 ARG 22 HB3 ARG 22 13.376 -4.738 -16.644 316 HG2 ARG 22 HG2 ARG 22 15.802 -4.977 -17.063 317 HG3 ARG 22 HG3 ARG 22 15.530 -4.854 -18.805 318 HD2 ARG 22 HD2 ARG 22 14.982 -2.682 -16.750 319 HD3 ARG 22 HD3 ARG 22 16.337 -2.741 -17.869 320 HE ARG 22 HE ARG 22 13.505 -2.677 -18.878 321 HH11 ARG 22 HH11 ARG 22 16.608 -1.042 -18.883 322 HH12 ARG 22 HH12 ARG 22 16.116 0.007 -20.185 323 HH21 ARG 22 HH21 ARG 22 12.957 -1.373 -20.426 324 HH22 ARG 22 HH22 ARG 22 14.062 -0.157 -21.035 325 H GLY 23 H GLY 23 12.315 -7.148 -15.749 326 HA2 GLY 23 HA2 GLY 23 13.050 -9.249 -14.482 327 HA3 GLY 23 HA3 GLY 23 14.675 -8.564 -14.478 328 H PHE 24 H PHE 24 11.710 -6.732 -13.859 329 HA PHE 24 HA PHE 24 12.542 -5.378 -11.608 330 HB2 PHE 24 HB2 PHE 24 9.935 -5.160 -11.220 331 HB3 PHE 24 HB3 PHE 24 10.756 -4.378 -12.551 332 HD1 PHE 24 HD1 PHE 24 10.314 -4.852 -14.758 333 HD2 PHE 24 HD2 PHE 24 8.753 -7.439 -11.718 334 HE1 PHE 24 HE1 PHE 24 9.053 -6.126 -16.500 335 HE2 PHE 24 HE2 PHE 24 7.480 -8.707 -13.434 336 HZ PHE 24 HZ PHE 24 7.650 -8.076 -15.827 337 H PHE 25 H PHE 25 11.924 -5.208 -9.467 338 HA PHE 25 HA PHE 25 11.014 -7.704 -8.183 339 HB2 PHE 25 HB2 PHE 25 13.227 -8.102 -7.935 340 HB3 PHE 25 HB3 PHE 25 13.608 -6.430 -7.556 341 HD1 PHE 25 HD1 PHE 25 14.113 -5.914 -5.325 342 HD2 PHE 25 HD2 PHE 25 11.489 -9.237 -6.168 343 HE1 PHE 25 HE1 PHE 25 14.012 -6.454 -2.902 344 HE2 PHE 25 HE2 PHE 25 11.370 -9.754 -3.742 345 HZ PHE 25 HZ PHE 25 12.627 -8.362 -2.106 346 H TYR 26 H TYR 26 9.069 -7.157 -7.748 347 HA TYR 26 HA TYR 26 8.313 -4.723 -6.440 348 HB2 TYR 26 HB2 TYR 26 6.009 -5.823 -6.453 349 HB3 TYR 26 HB3 TYR 26 6.777 -5.320 -7.934 350 HD1 TYR 26 HD1 TYR 26 5.689 -8.249 -5.978 351 HD2 TYR 26 HD2 TYR 26 7.643 -6.915 -9.588 352 HE1 TYR 26 HE1 TYR 26 5.515 -10.545 -6.927 353 HE2 TYR 26 HE2 TYR 26 7.500 -9.222 -10.515 354 HH TYR 26 HH TYR 26 6.870 -11.381 -10.137 355 H THR 27 H THR 27 9.908 -5.094 -4.659 356 HA THR 27 HA THR 27 9.743 -6.987 -2.780 357 HB THR 27 HB THR 27 11.471 -5.258 -2.989 358 HG1 THR 27 HG1 THR 27 12.051 -5.569 -0.846 359 HG21 THR 27 HG21 THR 27 10.019 -3.233 -2.570 360 HG22 THR 27 HG22 THR 27 11.479 -3.337 -1.566 361 HG23 THR 27 HG23 THR 27 9.898 -3.743 -0.869 362 HA PRO 28 HA PRO 28 5.868 -6.671 -0.645 363 HB2 PRO 28 HB2 PRO 28 7.253 -8.331 1.458 364 HB3 PRO 28 HB3 PRO 28 5.641 -8.564 0.711 365 HG2 PRO 28 HG2 PRO 28 7.733 -10.069 -0.102 366 HG3 PRO 28 HG3 PRO 28 6.610 -9.373 -1.316 367 HD2 PRO 28 HD2 PRO 28 9.329 -8.319 -0.455 368 HD3 PRO 28 HD3 PRO 28 8.652 -8.544 -2.101 369 H LYS 29 H LYS 29 4.894 -5.523 1.008 370 HA LYS 29 HA LYS 29 6.376 -3.579 2.501 371 HB2 LYS 29 HB2 LYS 29 4.357 -2.853 3.401 372 HB3 LYS 29 HB3 LYS 29 4.009 -3.317 1.751 373 HG2 LYS 29 HG2 LYS 29 3.276 -4.904 4.263 374 HG3 LYS 29 HG3 LYS 29 2.233 -3.829 3.367 375 HD2 LYS 29 HD2 LYS 29 1.469 -5.771 2.537 376 HD3 LYS 29 HD3 LYS 29 2.719 -5.462 1.331 377 HE2 LYS 29 HE2 LYS 29 4.243 -7.025 2.558 378 HE3 LYS 29 HE3 LYS 29 3.042 -7.199 3.835 379 HZ1 LYS 29 HZ1 LYS 29 2.942 -9.052 2.271 380 HZ2 LYS 29 HZ2 LYS 29 2.624 -8.058 1.012 381 HZ3 LYS 29 HZ3 LYS 29 1.537 -8.226 2.223 382 H THR 30 H THR 30 6.680 -3.292 4.714 383 HA THR 30 HA THR 30 7.272 -5.716 6.212 384 HB THR 30 HB THR 30 8.749 -3.702 6.172 385 HG1 THR 30 HG1 THR 30 9.402 -4.170 8.245 386 HG21 THR 30 HG21 THR 30 7.024 -1.971 6.752 387 HG22 THR 30 HG22 THR 30 8.405 -1.987 7.864 388 HG23 THR 30 HG23 THR 30 6.854 -2.709 8.359 389 H LYS 31 H LYS 31 6.690 -6.049 8.461 390 HA LYS 31 HA LYS 31 3.787 -6.053 8.843 391 HB2 LYS 31 HB2 LYS 31 6.064 -6.908 10.686 392 HB3 LYS 31 HB3 LYS 31 4.359 -7.186 11.006 393 HG2 LYS 31 HG2 LYS 31 5.926 -8.365 8.667 394 HG3 LYS 31 HG3 LYS 31 5.501 -9.197 10.168 395 HD2 LYS 31 HD2 LYS 31 3.074 -8.894 9.631 396 HD3 LYS 31 HD3 LYS 31 3.527 -8.160 8.077 397 HE2 LYS 31 HE2 LYS 31 4.727 -10.224 7.435 398 HE3 LYS 31 HE3 LYS 31 4.332 -10.955 8.995 399 HZ1 LYS 31 HZ1 LYS 31 1.975 -10.812 8.392 400 HZ2 LYS 31 HZ2 LYS 31 2.782 -11.664 7.256 401 HZ3 LYS 31 HZ3 LYS 31 2.333 -10.125 6.953 402 H ARG 32 H ARG 32 2.618 -5.106 10.501 403 HA ARG 32 HA ARG 32 3.794 -2.799 11.973 404 HB2 ARG 32 HB2 ARG 32 1.257 -2.599 10.299 405 HB3 ARG 32 HB3 ARG 32 1.982 -1.329 11.294 406 HG2 ARG 32 HG2 ARG 32 4.024 -1.396 9.795 407 HG3 ARG 32 HG3 ARG 32 3.146 -2.536 8.754 408 HD2 ARG 32 HD2 ARG 32 1.295 -0.782 8.601 409 HD3 ARG 32 HD3 ARG 32 2.399 0.334 9.395 410 HE ARG 32 HE ARG 32 3.840 0.322 7.507 411 HH11 ARG 32 HH11 ARG 32 4.055 0.375 5.279 412 HH12 ARG 32 HH12 ARG 32 2.855 -0.431 4.279 413 HH21 ARG 32 HH21 ARG 32 0.924 -1.527 6.843 414 HH22 ARG 32 HH22 ARG 32 1.107 -1.316 5.107 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 6.644 0.934 1.524 2 H2 GLY 1 H2 GLY 1 7.537 -0.380 1.934 3 H3 GLY 1 H3 GLY 1 5.975 -0.554 1.482 4 HA2 GLY 1 HA2 GLY 1 8.158 0.388 -0.271 5 HA3 GLY 1 HA3 GLY 1 7.465 -1.242 -0.300 6 H ILE 2 H ILE 2 7.550 0.524 -2.543 7 HA ILE 2 HA ILE 2 5.245 2.109 -2.917 8 HB ILE 2 HB ILE 2 7.042 2.553 -4.303 9 HG12 ILE 2 HG12 ILE 2 4.728 2.596 -5.462 10 HG13 ILE 2 HG13 ILE 2 6.186 2.785 -6.408 11 HG21 ILE 2 HG21 ILE 2 8.325 0.512 -4.329 12 HG22 ILE 2 HG22 ILE 2 7.013 -0.323 -5.183 13 HG23 ILE 2 HG23 ILE 2 7.962 0.915 -6.012 14 HD11 ILE 2 HD11 ILE 2 4.681 0.135 -6.265 15 HD12 ILE 2 HD12 ILE 2 4.445 1.361 -7.507 16 HD13 ILE 2 HD13 ILE 2 6.014 0.570 -7.352 17 H VAL 3 H VAL 3 5.608 -1.391 -3.490 18 HA VAL 3 HA VAL 3 3.234 -1.826 -4.899 19 HB VAL 3 HB VAL 3 4.915 -3.536 -4.556 20 HG11 VAL 3 HG11 VAL 3 3.939 -3.708 -1.669 21 HG12 VAL 3 HG12 VAL 3 5.051 -4.835 -2.454 22 HG13 VAL 3 HG13 VAL 3 5.544 -3.166 -2.196 23 HG21 VAL 3 HG21 VAL 3 3.527 -5.472 -4.247 24 HG22 VAL 3 HG22 VAL 3 2.294 -4.535 -3.389 25 HG23 VAL 3 HG23 VAL 3 2.588 -4.253 -5.118 26 H GLU 4 H GLU 4 3.541 -1.141 -1.432 27 HA GLU 4 HA GLU 4 0.787 -1.897 -0.846 28 HB2 GLU 4 HB2 GLU 4 2.457 -1.844 0.941 29 HB3 GLU 4 HB3 GLU 4 2.730 -0.123 0.657 30 HG2 GLU 4 HG2 GLU 4 1.404 -0.426 2.641 31 HG3 GLU 4 HG3 GLU 4 0.494 0.448 1.424 32 H GLN 5 H GLN 5 2.384 1.216 -1.630 33 HA GLN 5 HA GLN 5 -0.013 2.822 -1.463 34 HB2 GLN 5 HB2 GLN 5 2.545 3.310 -3.041 35 HB3 GLN 5 HB3 GLN 5 1.270 4.491 -2.702 36 HG2 GLN 5 HG2 GLN 5 1.710 4.000 -0.202 37 HG3 GLN 5 HG3 GLN 5 3.192 3.197 -0.736 38 HE21 GLN 5 HE21 GLN 5 4.565 4.699 -2.353 39 HE22 GLN 5 HE22 GLN 5 4.608 6.399 -1.919 40 H CYS 6 H CYS 6 1.600 1.135 -4.148 41 HA CYS 6 HA CYS 6 -0.187 1.959 -6.222 42 HB2 CYS 6 HB2 CYS 6 2.205 1.101 -6.321 43 HB3 CYS 6 HB3 CYS 6 1.574 -0.519 -6.046 44 H CYS 7 H CYS 7 -0.352 -0.693 -3.873 45 HA CYS 7 HA CYS 7 -2.692 -1.978 -5.050 46 HB2 CYS 7 HB2 CYS 7 -1.126 -3.234 -3.611 47 HB3 CYS 7 HB3 CYS 7 -1.371 -2.098 -2.306 48 H THR 8 H THR 8 -2.184 0.047 -2.115 49 HA THR 8 HA THR 8 -4.992 0.088 -1.548 50 HB THR 8 HB THR 8 -3.023 -0.117 0.056 51 HG1 THR 8 HG1 THR 8 -5.258 0.051 0.617 52 HG21 THR 8 HG21 THR 8 -3.339 2.898 0.256 53 HG22 THR 8 HG22 THR 8 -1.990 2.129 -0.601 54 HG23 THR 8 HG23 THR 8 -2.209 1.836 1.130 55 H SER 9 H SER 9 -3.275 2.166 -3.509 56 HA SER 9 HA SER 9 -5.646 3.916 -3.748 57 HB2 SER 9 HB2 SER 9 -4.008 5.113 -2.296 58 HB3 SER 9 HB3 SER 9 -2.809 5.008 -3.605 59 HG SER 9 HG SER 9 -3.993 7.001 -3.581 60 H ILE 10 H ILE 10 -5.530 5.151 -5.866 61 HA ILE 10 HA ILE 10 -4.895 3.250 -7.971 62 HB ILE 10 HB ILE 10 -5.630 5.111 -9.524 63 HG12 ILE 10 HG12 ILE 10 -6.614 6.417 -6.937 64 HG13 ILE 10 HG13 ILE 10 -5.302 7.033 -7.938 65 HG21 ILE 10 HG21 ILE 10 -7.956 4.575 -9.138 66 HG22 ILE 10 HG22 ILE 10 -7.004 3.162 -8.740 67 HG23 ILE 10 HG23 ILE 10 -7.631 4.162 -7.432 68 HD11 ILE 10 HD11 ILE 10 -8.222 6.787 -8.737 69 HD12 ILE 10 HD12 ILE 10 -7.283 8.267 -8.475 70 HD13 ILE 10 HD13 ILE 10 -6.920 7.213 -9.864 71 H CYS 11 H CYS 11 -3.109 2.918 -8.917 72 HA CYS 11 HA CYS 11 -0.722 4.416 -8.243 73 HB2 CYS 11 HB2 CYS 11 -1.186 1.928 -8.195 74 HB3 CYS 11 HB3 CYS 11 -1.134 1.937 -9.950 75 H SER 12 H SER 12 1.022 4.539 -10.053 76 HA SER 12 HA SER 12 -0.011 5.406 -12.699 77 HB2 SER 12 HB2 SER 12 1.315 7.411 -12.700 78 HB3 SER 12 HB3 SER 12 0.220 7.450 -11.305 79 HG SER 12 HG SER 12 2.445 8.078 -10.870 80 H LEU 13 H LEU 13 1.490 5.204 -14.394 81 HA LEU 13 HA LEU 13 3.179 2.962 -14.368 82 HB2 LEU 13 HB2 LEU 13 3.320 5.424 -16.159 83 HB3 LEU 13 HB3 LEU 13 4.026 3.864 -16.533 84 HG LEU 13 HG LEU 13 1.045 4.422 -16.227 85 HD11 LEU 13 HD11 LEU 13 2.016 5.480 -18.218 86 HD12 LEU 13 HD12 LEU 13 0.975 4.128 -18.671 87 HD13 LEU 13 HD13 LEU 13 2.740 3.931 -18.709 88 HD21 LEU 13 HD21 LEU 13 2.445 1.917 -17.260 89 HD22 LEU 13 HD22 LEU 13 0.702 2.197 -17.201 90 HD23 LEU 13 HD23 LEU 13 1.602 2.051 -15.691 91 H TYR 14 H TYR 14 4.057 6.326 -13.668 92 HA TYR 14 HA TYR 14 6.879 5.917 -13.598 93 HB2 TYR 14 HB2 TYR 14 5.103 8.104 -12.534 94 HB3 TYR 14 HB3 TYR 14 6.837 8.101 -12.278 95 HD1 TYR 14 HD1 TYR 14 4.196 8.713 -14.710 96 HD2 TYR 14 HD2 TYR 14 8.440 8.114 -14.210 97 HE1 TYR 14 HE1 TYR 14 4.603 9.672 -16.980 98 HE2 TYR 14 HE2 TYR 14 8.847 9.071 -16.471 99 HH TYR 14 HH TYR 14 7.900 9.991 -18.352 100 H GLN 15 H GLN 15 4.572 5.014 -11.198 101 HA GLN 15 HA GLN 15 6.505 4.981 -8.995 102 HB2 GLN 15 HB2 GLN 15 3.660 4.082 -9.352 103 HB3 GLN 15 HB3 GLN 15 4.592 3.533 -7.969 104 HG2 GLN 15 HG2 GLN 15 5.012 5.749 -7.174 105 HG3 GLN 15 HG3 GLN 15 4.414 6.477 -8.673 106 HE21 GLN 15 HE21 GLN 15 2.132 6.372 -9.140 107 HE22 GLN 15 HE22 GLN 15 0.979 6.171 -7.810 108 H LEU 16 H LEU 16 5.305 2.584 -11.317 109 HA LEU 16 HA LEU 16 6.573 0.261 -10.267 110 HB2 LEU 16 HB2 LEU 16 5.707 1.074 -13.080 111 HB3 LEU 16 HB3 LEU 16 6.215 -0.532 -12.651 112 HG LEU 16 HG LEU 16 3.908 -0.576 -12.833 113 HD11 LEU 16 HD11 LEU 16 4.865 -1.825 -10.873 114 HD12 LEU 16 HD12 LEU 16 3.154 -1.393 -10.683 115 HD13 LEU 16 HD13 LEU 16 4.402 -0.467 -9.830 116 HD21 LEU 16 HD21 LEU 16 3.395 1.807 -12.528 117 HD22 LEU 16 HD22 LEU 16 3.524 1.600 -10.764 118 HD23 LEU 16 HD23 LEU 16 2.290 0.726 -11.675 119 H GLU 17 H GLU 17 7.808 2.859 -12.373 120 HA GLU 17 HA GLU 17 10.121 1.688 -13.455 121 HB2 GLU 17 HB2 GLU 17 9.665 4.484 -12.357 122 HB3 GLU 17 HB3 GLU 17 11.085 4.054 -13.272 123 HG2 GLU 17 HG2 GLU 17 8.275 3.735 -14.402 124 HG3 GLU 17 HG3 GLU 17 9.192 5.240 -14.498 125 H ASN 18 H ASN 18 9.559 2.564 -10.112 126 HA ASN 18 HA ASN 18 12.259 2.670 -9.164 127 HB2 ASN 18 HB2 ASN 18 9.572 2.079 -7.845 128 HB3 ASN 18 HB3 ASN 18 11.085 2.215 -6.933 129 HD21 ASN 18 HD21 ASN 18 8.469 3.942 -8.148 130 HD22 ASN 18 HD22 ASN 18 9.148 5.565 -7.926 131 H TYR 19 H TYR 19 10.346 -0.127 -10.069 132 HA TYR 19 HA TYR 19 12.037 -1.940 -8.452 133 HB2 TYR 19 HB2 TYR 19 9.537 -2.286 -10.021 134 HB3 TYR 19 HB3 TYR 19 10.431 -3.677 -9.443 135 HD1 TYR 19 HD1 TYR 19 11.189 -3.285 -6.790 136 HD2 TYR 19 HD2 TYR 19 7.614 -1.811 -8.736 137 HE1 TYR 19 HE1 TYR 19 9.968 -3.402 -4.631 138 HE2 TYR 19 HE2 TYR 19 6.385 -2.057 -6.592 139 HH TYR 19 HH TYR 19 7.845 -3.437 -3.665 140 H CYS 20 H CYS 20 11.984 -0.924 -11.712 141 HA CYS 20 HA CYS 20 12.947 -3.327 -12.917 142 HB2 CYS 20 HB2 CYS 20 12.684 -0.511 -13.987 143 HB3 CYS 20 HB3 CYS 20 12.926 -1.976 -14.946 144 H LYS 21 H LYS 21 14.725 -3.287 -11.166 145 HA LYS 21 HA LYS 21 17.252 -2.030 -11.671 146 HB2 LYS 21 HB2 LYS 21 16.696 -3.220 -9.592 147 HB3 LYS 21 HB3 LYS 21 16.580 -4.751 -10.471 148 HG2 LYS 21 HG2 LYS 21 18.982 -4.664 -11.018 149 HG3 LYS 21 HG3 LYS 21 19.105 -3.048 -10.308 150 HD2 LYS 21 HD2 LYS 21 20.023 -4.673 -8.776 151 HD3 LYS 21 HD3 LYS 21 18.555 -3.974 -8.074 152 HE2 LYS 21 HE2 LYS 21 17.267 -5.988 -8.754 153 HE3 LYS 21 HE3 LYS 21 18.708 -6.661 -9.520 154 HZ1 LYS 21 HZ1 LYS 21 18.374 -7.569 -7.286 155 HZ2 LYS 21 HZ2 LYS 21 18.441 -6.082 -6.616 156 HZ3 LYS 21 HZ3 LYS 21 19.766 -6.724 -7.326 157 H1 PHE 1 H1 PHE 1 -3.187 6.158 -21.138 158 H2 PHE 1 H2 PHE 1 -4.466 5.179 -21.432 159 H3 PHE 1 H3 PHE 1 -2.937 4.623 -21.662 160 HA PHE 1 HA PHE 1 -3.881 3.729 -19.694 161 HB2 PHE 1 HB2 PHE 1 -1.588 3.687 -19.629 162 HB3 PHE 1 HB3 PHE 1 -1.440 5.420 -19.432 163 HD1 PHE 1 HD1 PHE 1 -1.662 6.525 -17.241 164 HD2 PHE 1 HD2 PHE 1 -2.073 2.244 -17.657 165 HE1 PHE 1 HE1 PHE 1 -1.458 6.263 -14.787 166 HE2 PHE 1 HE2 PHE 1 -1.874 1.992 -15.196 167 HZ PHE 1 HZ PHE 1 -1.558 3.992 -13.762 168 H VAL 2 H VAL 2 -4.600 3.868 -17.525 169 HA VAL 2 HA VAL 2 -5.452 6.487 -16.564 170 HB VAL 2 HB VAL 2 -7.385 5.607 -17.890 171 HG11 VAL 2 HG11 VAL 2 -7.215 3.196 -17.257 172 HG12 VAL 2 HG12 VAL 2 -7.708 3.621 -15.602 173 HG13 VAL 2 HG13 VAL 2 -8.824 3.886 -16.957 174 HG21 VAL 2 HG21 VAL 2 -7.631 7.297 -16.100 175 HG22 VAL 2 HG22 VAL 2 -9.061 6.272 -16.272 176 HG23 VAL 2 HG23 VAL 2 -7.936 5.999 -14.926 177 H ASN 3 H ASN 3 -5.575 6.666 -14.330 178 HA ASN 3 HA ASN 3 -3.771 4.956 -12.940 179 HB2 ASN 3 HB2 ASN 3 -5.703 7.066 -11.888 180 HB3 ASN 3 HB3 ASN 3 -4.366 6.356 -10.975 181 HD21 ASN 3 HD21 ASN 3 -2.168 6.690 -11.813 182 HD22 ASN 3 HD22 ASN 3 -1.846 8.228 -12.642 183 H GLN 4 H GLN 4 -4.016 3.199 -11.745 184 HA GLN 4 HA GLN 4 -6.710 2.170 -10.988 185 HB2 GLN 4 HB2 GLN 4 -4.685 0.926 -12.869 186 HB3 GLN 4 HB3 GLN 4 -5.862 -0.060 -11.992 187 HG2 GLN 4 HG2 GLN 4 -7.707 0.888 -13.112 188 HG3 GLN 4 HG3 GLN 4 -6.763 2.247 -13.726 189 HE21 GLN 4 HE21 GLN 4 -5.152 1.857 -15.422 190 HE22 GLN 4 HE22 GLN 4 -5.262 0.400 -16.414 191 H HIS 5 H HIS 5 -6.733 0.734 -9.276 192 HA HIS 5 HA HIS 5 -4.423 0.565 -7.502 193 HB2 HIS 5 HB2 HIS 5 -6.031 -1.041 -6.276 194 HB3 HIS 5 HB3 HIS 5 -6.398 0.679 -6.348 195 HD1 HIS 5 HD1 HIS 5 -7.356 -2.348 -8.600 196 HD2 HIS 5 HD2 HIS 5 -8.907 1.131 -6.811 197 HE1 HIS 5 HE1 HIS 5 -9.833 -2.242 -9.259 198 H LEU 6 H LEU 6 -2.763 -0.443 -8.415 199 HA LEU 6 HA LEU 6 -3.018 -3.057 -9.809 200 HB2 LEU 6 HB2 LEU 6 -1.077 -0.779 -9.744 201 HB3 LEU 6 HB3 LEU 6 -0.409 -2.369 -10.056 202 HG LEU 6 HG LEU 6 -1.338 -2.605 -12.110 203 HD11 LEU 6 HD11 LEU 6 -3.727 -2.315 -11.725 204 HD12 LEU 6 HD12 LEU 6 -3.198 -1.306 -13.069 205 HD13 LEU 6 HD13 LEU 6 -3.476 -0.568 -11.475 206 HD21 LEU 6 HD21 LEU 6 -0.969 -0.507 -13.296 207 HD22 LEU 6 HD22 LEU 6 0.186 -0.638 -11.957 208 HD23 LEU 6 HD23 LEU 6 -1.228 0.418 -11.798 209 H CYS 7 H CYS 7 -3.759 -3.652 -7.564 210 HA CYS 7 HA CYS 7 -1.674 -4.201 -5.589 211 HB2 CYS 7 HB2 CYS 7 -4.211 -3.800 -5.169 212 HB3 CYS 7 HB3 CYS 7 -4.422 -5.479 -5.678 213 H GLY 8 H GLY 8 -0.708 -6.191 -5.079 214 HA2 GLY 8 HA2 GLY 8 0.106 -8.336 -5.360 215 HA3 GLY 8 HA3 GLY 8 -1.513 -8.737 -5.923 216 H SER 9 H SER 9 -1.348 -9.892 -7.756 217 HA SER 9 HA SER 9 0.840 -10.010 -9.519 218 HB2 SER 9 HB2 SER 9 -2.096 -10.607 -10.088 219 HB3 SER 9 HB3 SER 9 -0.714 -11.196 -11.034 220 HG SER 9 HG SER 9 -0.034 -12.420 -9.292 221 H HIS 10 H HIS 10 -1.837 -7.662 -9.558 222 HA HIS 10 HA HIS 10 -1.443 -6.803 -12.283 223 HB2 HIS 10 HB2 HIS 10 -2.640 -5.376 -9.892 224 HB3 HIS 10 HB3 HIS 10 -2.634 -4.742 -11.533 225 HD1 HIS 10 HD1 HIS 10 -3.726 -6.808 -13.378 226 HD2 HIS 10 HD2 HIS 10 -4.984 -6.367 -9.373 227 HE1 HIS 10 HE1 HIS 10 -6.097 -7.713 -13.265 228 H LEU 11 H LEU 11 0.389 -6.095 -9.327 229 HA LEU 11 HA LEU 11 1.781 -3.795 -10.418 230 HB2 LEU 11 HB2 LEU 11 1.733 -4.355 -7.988 231 HB3 LEU 11 HB3 LEU 11 2.653 -5.814 -8.327 232 HG LEU 11 HG LEU 11 4.146 -3.707 -9.562 233 HD11 LEU 11 HD11 LEU 11 4.504 -2.100 -7.819 234 HD12 LEU 11 HD12 LEU 11 3.316 -2.912 -6.774 235 HD13 LEU 11 HD13 LEU 11 2.791 -2.110 -8.262 236 HD21 LEU 11 HD21 LEU 11 5.040 -5.714 -8.513 237 HD22 LEU 11 HD22 LEU 11 4.577 -5.094 -6.903 238 HD23 LEU 11 HD23 LEU 11 5.807 -4.250 -7.874 239 H VAL 12 H VAL 12 2.470 -7.340 -10.399 240 HA VAL 12 HA VAL 12 4.889 -7.143 -11.916 241 HB VAL 12 HB VAL 12 3.084 -9.570 -12.000 242 HG11 VAL 12 HG11 VAL 12 5.265 -10.754 -12.127 243 HG12 VAL 12 HG12 VAL 12 5.027 -9.643 -13.486 244 HG13 VAL 12 HG13 VAL 12 6.101 -9.180 -12.145 245 HG21 VAL 12 HG21 VAL 12 3.262 -9.019 -9.628 246 HG22 VAL 12 HG22 VAL 12 4.312 -10.386 -9.992 247 HG23 VAL 12 HG23 VAL 12 5.015 -8.770 -9.789 248 H GLU 13 H GLU 13 1.527 -7.554 -12.969 249 HA GLU 13 HA GLU 13 1.989 -7.660 -15.788 250 HB2 GLU 13 HB2 GLU 13 -0.147 -8.196 -14.630 251 HB3 GLU 13 HB3 GLU 13 -0.298 -6.501 -14.156 252 HG2 GLU 13 HG2 GLU 13 -0.429 -5.883 -16.588 253 HG3 GLU 13 HG3 GLU 13 -0.427 -7.608 -16.979 254 H ALA 14 H ALA 14 1.710 -4.853 -13.555 255 HA ALA 14 HA ALA 14 1.809 -2.907 -15.699 256 HB1 ALA 14 HB1 ALA 14 1.930 -1.297 -13.877 257 HB2 ALA 14 HB2 ALA 14 0.672 -2.506 -13.570 258 HB3 ALA 14 HB3 ALA 14 2.217 -2.603 -12.699 259 H LEU 15 H LEU 15 4.292 -4.219 -13.430 260 HA LEU 15 HA LEU 15 6.525 -2.718 -14.388 261 HB2 LEU 15 HB2 LEU 15 6.270 -5.573 -13.304 262 HB3 LEU 15 HB3 LEU 15 7.824 -4.809 -13.627 263 HG LEU 15 HG LEU 15 5.780 -3.613 -11.757 264 HD11 LEU 15 HD11 LEU 15 6.402 -5.788 -10.834 265 HD12 LEU 15 HD12 LEU 15 7.211 -4.505 -9.909 266 HD13 LEU 15 HD13 LEU 15 8.125 -5.445 -11.118 267 HD21 LEU 15 HD21 LEU 15 7.598 -2.279 -10.975 268 HD22 LEU 15 HD22 LEU 15 7.672 -2.169 -12.729 269 HD23 LEU 15 HD23 LEU 15 8.794 -3.240 -11.908 270 H TYR 16 H TYR 16 5.178 -5.781 -15.499 271 HA TYR 16 HA TYR 16 6.990 -6.235 -17.608 272 HB2 TYR 16 HB2 TYR 16 5.748 -8.048 -16.838 273 HB3 TYR 16 HB3 TYR 16 4.225 -7.192 -16.996 274 HD1 TYR 16 HD1 TYR 16 6.770 -9.098 -18.819 275 HD2 TYR 16 HD2 TYR 16 3.011 -7.003 -19.079 276 HE1 TYR 16 HE1 TYR 16 6.362 -10.119 -21.051 277 HE2 TYR 16 HE2 TYR 16 2.601 -8.024 -21.321 278 HH TYR 16 HH TYR 16 4.935 -10.269 -22.856 279 H LEU 17 H LEU 17 4.319 -4.025 -17.545 280 HA LEU 17 HA LEU 17 4.325 -3.585 -20.468 281 HB2 LEU 17 HB2 LEU 17 2.242 -3.791 -19.241 282 HB3 LEU 17 HB3 LEU 17 2.672 -2.498 -18.150 283 HG LEU 17 HG LEU 17 0.954 -1.962 -19.849 284 HD11 LEU 17 HD11 LEU 17 2.297 -0.181 -18.722 285 HD12 LEU 17 HD12 LEU 17 1.620 0.263 -20.299 286 HD13 LEU 17 HD13 LEU 17 3.337 -0.117 -20.159 287 HD21 LEU 17 HD21 LEU 17 1.530 -1.479 -22.141 288 HD22 LEU 17 HD22 LEU 17 1.926 -3.164 -21.774 289 HD23 LEU 17 HD23 LEU 17 3.221 -1.942 -21.870 290 H VAL 18 H VAL 18 5.014 -1.783 -17.466 291 HA VAL 18 HA VAL 18 5.900 0.671 -18.639 292 HB VAL 18 HB VAL 18 6.407 -0.659 -15.939 293 HG11 VAL 18 HG11 VAL 18 7.059 2.204 -16.722 294 HG12 VAL 18 HG12 VAL 18 7.109 1.525 -15.082 295 HG13 VAL 18 HG13 VAL 18 8.238 0.957 -16.308 296 HG21 VAL 18 HG21 VAL 18 4.754 0.995 -15.151 297 HG22 VAL 18 HG22 VAL 18 4.685 1.717 -16.770 298 HG23 VAL 18 HG23 VAL 18 4.048 0.090 -16.498 299 H CYS 19 H CYS 19 7.725 -2.234 -17.580 300 HA CYS 19 HA CYS 19 10.217 -1.058 -18.707 301 HB2 CYS 19 HB2 CYS 19 9.791 -3.233 -16.630 302 HB3 CYS 19 HB3 CYS 19 11.344 -2.589 -17.147 303 H GLY 20 H GLY 20 7.915 -3.363 -19.684 304 HA2 GLY 20 HA2 GLY 20 7.942 -4.720 -21.550 305 HA3 GLY 20 HA3 GLY 20 9.450 -3.917 -22.020 306 H GLU 21 H GLU 21 8.815 -5.909 -19.159 307 HA GLU 21 HA GLU 21 9.892 -7.653 -18.221 308 HB2 GLU 21 HB2 GLU 21 8.727 -8.626 -20.356 309 HB3 GLU 21 HB3 GLU 21 10.385 -8.894 -20.917 310 HG2 GLU 21 HG2 GLU 21 10.814 -10.145 -18.747 311 HG3 GLU 21 HG3 GLU 21 9.117 -9.917 -18.333 312 H ARG 22 H ARG 22 11.577 -5.350 -18.871 313 HA ARG 22 HA ARG 22 14.237 -5.956 -19.523 314 HB2 ARG 22 HB2 ARG 22 13.605 -3.692 -19.076 315 HB3 ARG 22 HB3 ARG 22 13.042 -4.092 -17.446 316 HG2 ARG 22 HG2 ARG 22 15.343 -4.499 -16.704 317 HG3 ARG 22 HG3 ARG 22 15.949 -4.191 -18.338 318 HD2 ARG 22 HD2 ARG 22 15.274 -1.857 -18.195 319 HD3 ARG 22 HD3 ARG 22 14.382 -2.157 -16.704 320 HE ARG 22 HE ARG 22 16.351 -2.225 -15.453 321 HH11 ARG 22 HH11 ARG 22 17.215 -1.665 -18.806 322 HH12 ARG 22 HH12 ARG 22 18.885 -1.361 -18.408 323 HH21 ARG 22 HH21 ARG 22 18.500 -2.152 -15.070 324 HH22 ARG 22 HH22 ARG 22 19.585 -1.552 -16.316 325 H GLY 23 H GLY 23 12.707 -6.424 -16.340 326 HA2 GLY 23 HA2 GLY 23 13.981 -8.842 -15.717 327 HA3 GLY 23 HA3 GLY 23 15.035 -7.582 -15.063 328 H PHE 24 H PHE 24 13.962 -5.954 -13.692 329 HA PHE 24 HA PHE 24 13.173 -5.433 -11.764 330 HB2 PHE 24 HB2 PHE 24 10.636 -5.608 -11.398 331 HB3 PHE 24 HB3 PHE 24 11.335 -4.561 -12.586 332 HD1 PHE 24 HD1 PHE 24 10.741 -4.703 -14.900 333 HD2 PHE 24 HD2 PHE 24 9.641 -7.853 -12.170 334 HE1 PHE 24 HE1 PHE 24 9.325 -5.729 -16.653 335 HE2 PHE 24 HE2 PHE 24 8.201 -8.859 -13.915 336 HZ PHE 24 HZ PHE 24 8.061 -7.826 -16.163 337 H PHE 25 H PHE 25 12.510 -5.614 -9.664 338 HA PHE 25 HA PHE 25 11.906 -8.317 -8.709 339 HB2 PHE 25 HB2 PHE 25 14.159 -8.538 -8.392 340 HB3 PHE 25 HB3 PHE 25 14.348 -6.889 -7.798 341 HD1 PHE 25 HD1 PHE 25 12.881 -10.218 -6.913 342 HD2 PHE 25 HD2 PHE 25 14.159 -6.359 -5.455 343 HE1 PHE 25 HE1 PHE 25 12.584 -10.995 -4.572 344 HE2 PHE 25 HE2 PHE 25 13.859 -7.147 -3.125 345 HZ PHE 25 HZ PHE 25 13.071 -9.457 -2.675 346 H TYR 26 H TYR 26 9.950 -8.084 -8.064 347 HA TYR 26 HA TYR 26 9.048 -5.685 -6.763 348 HB2 TYR 26 HB2 TYR 26 6.805 -6.912 -6.776 349 HB3 TYR 26 HB3 TYR 26 7.531 -6.265 -8.231 350 HD1 TYR 26 HD1 TYR 26 8.422 -7.688 -10.005 351 HD2 TYR 26 HD2 TYR 26 6.662 -9.375 -6.452 352 HE1 TYR 26 HE1 TYR 26 8.326 -9.922 -11.111 353 HE2 TYR 26 HE2 TYR 26 6.543 -11.602 -7.562 354 HH TYR 26 HH TYR 26 7.028 -12.822 -9.435 355 H THR 27 H THR 27 10.410 -5.697 -4.908 356 HA THR 27 HA THR 27 10.261 -7.342 -2.758 357 HB THR 27 HB THR 27 10.171 -4.411 -2.202 358 HG1 THR 27 HG1 THR 27 12.317 -4.284 -2.842 359 HG21 THR 27 HG21 THR 27 11.900 -6.697 -1.156 360 HG22 THR 27 HG22 THR 27 10.560 -5.898 -0.293 361 HG23 THR 27 HG23 THR 27 12.028 -4.994 -0.669 362 HA PRO 28 HA PRO 28 6.017 -7.515 -1.697 363 HB2 PRO 28 HB2 PRO 28 6.060 -8.800 0.750 364 HB3 PRO 28 HB3 PRO 28 6.383 -9.584 -0.824 365 HG2 PRO 28 HG2 PRO 28 8.415 -8.471 1.140 366 HG3 PRO 28 HG3 PRO 28 8.395 -10.084 0.362 367 HD2 PRO 28 HD2 PRO 28 9.898 -8.109 -0.651 368 HD3 PRO 28 HD3 PRO 28 8.976 -9.171 -1.750 369 H LYS 29 H LYS 29 4.359 -6.837 -0.261 370 HA LYS 29 HA LYS 29 4.691 -4.151 0.630 371 HB2 LYS 29 HB2 LYS 29 2.344 -4.290 1.334 372 HB3 LYS 29 HB3 LYS 29 2.583 -4.866 -0.305 373 HG2 LYS 29 HG2 LYS 29 2.284 -7.152 0.300 374 HG3 LYS 29 HG3 LYS 29 2.411 -6.821 2.034 375 HD2 LYS 29 HD2 LYS 29 0.231 -5.578 0.321 376 HD3 LYS 29 HD3 LYS 29 0.044 -7.185 1.029 377 HE2 LYS 29 HE2 LYS 29 0.082 -6.391 3.241 378 HE3 LYS 29 HE3 LYS 29 0.879 -4.877 2.802 379 HZ1 LYS 29 HZ1 LYS 29 -1.072 -4.073 1.804 380 HZ2 LYS 29 HZ2 LYS 29 -1.512 -4.600 3.284 381 HZ3 LYS 29 HZ3 LYS 29 -1.893 -5.500 1.962 382 H THR 30 H THR 30 4.324 -3.162 2.591 383 HA THR 30 HA THR 30 5.444 -4.297 4.928 384 HB THR 30 HB THR 30 3.643 -1.934 5.152 385 HG1 THR 30 HG1 THR 30 5.258 -0.640 4.310 386 HG21 THR 30 HG21 THR 30 6.440 -2.572 6.191 387 HG22 THR 30 HG22 THR 30 4.925 -2.633 7.131 388 HG23 THR 30 HG23 THR 30 5.525 -1.087 6.533 389 H LYS 31 H LYS 31 4.585 -4.938 6.932 390 HA LYS 31 HA LYS 31 2.036 -6.312 6.912 391 HB2 LYS 31 HB2 LYS 31 3.798 -5.489 9.256 392 HB3 LYS 31 HB3 LYS 31 2.460 -6.622 9.346 393 HG2 LYS 31 HG2 LYS 31 5.058 -7.005 7.802 394 HG3 LYS 31 HG3 LYS 31 4.620 -7.783 9.312 395 HD2 LYS 31 HD2 LYS 31 3.243 -8.224 6.621 396 HD3 LYS 31 HD3 LYS 31 4.407 -9.305 7.396 397 HE2 LYS 31 HE2 LYS 31 2.858 -9.558 9.342 398 HE3 LYS 31 HE3 LYS 31 1.669 -8.549 8.508 399 HZ1 LYS 31 HZ1 LYS 31 2.698 -11.152 7.514 400 HZ2 LYS 31 HZ2 LYS 31 1.607 -10.222 6.726 401 HZ3 LYS 31 HZ3 LYS 31 1.220 -10.902 8.162 402 H ARG 32 H ARG 32 0.087 -5.763 7.683 403 HA ARG 32 HA ARG 32 -0.526 -3.142 8.884 404 HB2 ARG 32 HB2 ARG 32 -0.228 -2.622 6.496 405 HB3 ARG 32 HB3 ARG 32 -1.374 -3.891 6.053 406 HG2 ARG 32 HG2 ARG 32 -3.210 -2.658 7.129 407 HG3 ARG 32 HG3 ARG 32 -2.067 -1.427 7.717 408 HD2 ARG 32 HD2 ARG 32 -1.494 -0.817 5.410 409 HD3 ARG 32 HD3 ARG 32 -2.526 -2.117 4.788 410 HE ARG 32 HE ARG 32 -4.052 -0.327 6.440 411 HH11 ARG 32 HH11 ARG 32 -2.629 -0.491 3.224 412 HH12 ARG 32 HH12 ARG 32 -3.906 0.495 2.531 413 HH21 ARG 32 HH21 ARG 32 -5.585 0.996 5.469 414 HH22 ARG 32 HH22 ARG 32 -5.463 1.342 3.764 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 4.258 1.806 0.099 2 H2 GLY 1 H2 GLY 1 4.753 3.124 -0.737 3 H3 GLY 1 H3 GLY 1 5.760 2.428 0.349 4 HA2 GLY 1 HA2 GLY 1 6.435 1.859 -1.889 5 HA3 GLY 1 HA3 GLY 1 5.938 0.428 -0.972 6 H ILE 2 H ILE 2 5.921 1.123 -3.932 7 HA ILE 2 HA ILE 2 3.406 1.798 -4.877 8 HB ILE 2 HB ILE 2 5.642 1.669 -6.054 9 HG12 ILE 2 HG12 ILE 2 4.758 1.229 -8.308 10 HG13 ILE 2 HG13 ILE 2 3.253 0.644 -7.597 11 HG21 ILE 2 HG21 ILE 2 6.162 -0.750 -5.638 12 HG22 ILE 2 HG22 ILE 2 4.834 -1.202 -6.729 13 HG23 ILE 2 HG23 ILE 2 6.219 -0.325 -7.345 14 HD11 ILE 2 HD11 ILE 2 3.170 3.005 -8.412 15 HD12 ILE 2 HD12 ILE 2 2.841 2.908 -6.676 16 HD13 ILE 2 HD13 ILE 2 4.446 3.428 -7.253 17 H VAL 3 H VAL 3 4.553 -1.426 -4.056 18 HA VAL 3 HA VAL 3 2.510 -3.043 -5.105 19 HB VAL 3 HB VAL 3 4.693 -3.803 -4.264 20 HG11 VAL 3 HG11 VAL 3 3.550 -3.533 -1.450 21 HG12 VAL 3 HG12 VAL 3 5.124 -4.184 -1.919 22 HG13 VAL 3 HG13 VAL 3 4.793 -2.466 -2.140 23 HG21 VAL 3 HG21 VAL 3 4.001 -5.910 -3.298 24 HG22 VAL 3 HG22 VAL 3 2.411 -5.253 -2.861 25 HG23 VAL 3 HG23 VAL 3 2.860 -5.445 -4.570 26 H GLU 4 H GLU 4 2.477 -1.109 -2.164 27 HA GLU 4 HA GLU 4 -0.241 -2.145 -1.452 28 HB2 GLU 4 HB2 GLU 4 1.384 -2.119 0.325 29 HB3 GLU 4 HB3 GLU 4 1.675 -0.385 0.112 30 HG2 GLU 4 HG2 GLU 4 -0.548 0.191 0.813 31 HG3 GLU 4 HG3 GLU 4 -1.087 -1.489 0.719 32 H GLN 5 H GLN 5 1.457 0.895 -2.383 33 HA GLN 5 HA GLN 5 -0.723 2.649 -2.114 34 HB2 GLN 5 HB2 GLN 5 1.661 3.310 -2.510 35 HB3 GLN 5 HB3 GLN 5 1.489 2.755 -4.173 36 HG2 GLN 5 HG2 GLN 5 -0.636 4.504 -4.013 37 HG3 GLN 5 HG3 GLN 5 0.462 5.252 -2.877 38 HE21 GLN 5 HE21 GLN 5 -0.533 5.801 -5.853 39 HE22 GLN 5 HE22 GLN 5 0.991 6.125 -6.674 40 H CYS 6 H CYS 6 0.218 0.774 -5.081 41 HA CYS 6 HA CYS 6 -1.947 1.745 -6.704 42 HB2 CYS 6 HB2 CYS 6 -0.315 -0.816 -6.792 43 HB3 CYS 6 HB3 CYS 6 -1.451 -0.318 -8.033 44 H CYS 7 H CYS 7 -1.864 -0.752 -4.223 45 HA CYS 7 HA CYS 7 -4.296 -2.084 -5.188 46 HB2 CYS 7 HB2 CYS 7 -2.367 -3.289 -4.146 47 HB3 CYS 7 HB3 CYS 7 -2.700 -2.473 -2.620 48 H THR 8 H THR 8 -3.321 -0.123 -2.360 49 HA THR 8 HA THR 8 -6.036 0.069 -1.341 50 HB THR 8 HB THR 8 -3.874 -0.147 0.005 51 HG1 THR 8 HG1 THR 8 -4.891 0.895 1.701 52 HG21 THR 8 HG21 THR 8 -3.992 2.900 -0.088 53 HG22 THR 8 HG22 THR 8 -2.777 1.940 -0.958 54 HG23 THR 8 HG23 THR 8 -2.852 1.871 0.806 55 H SER 9 H SER 9 -4.180 2.056 -3.436 56 HA SER 9 HA SER 9 -6.293 4.124 -3.582 57 HB2 SER 9 HB2 SER 9 -4.583 4.808 -1.843 58 HB3 SER 9 HB3 SER 9 -3.352 4.787 -3.122 59 HG SER 9 HG SER 9 -4.353 6.877 -2.692 60 H ILE 10 H ILE 10 -5.131 5.835 -5.310 61 HA ILE 10 HA ILE 10 -4.917 4.239 -7.791 62 HB ILE 10 HB ILE 10 -4.906 7.270 -7.575 63 HG12 ILE 10 HG12 ILE 10 -7.280 5.355 -7.633 64 HG13 ILE 10 HG13 ILE 10 -6.937 6.614 -6.441 65 HG21 ILE 10 HG21 ILE 10 -5.825 5.407 -9.807 66 HG22 ILE 10 HG22 ILE 10 -5.643 7.175 -9.888 67 HG23 ILE 10 HG23 ILE 10 -4.221 6.173 -9.749 68 HD11 ILE 10 HD11 ILE 10 -7.306 8.333 -8.256 69 HD12 ILE 10 HD12 ILE 10 -7.845 7.010 -9.320 70 HD13 ILE 10 HD13 ILE 10 -8.736 7.369 -7.841 71 H CYS 11 H CYS 11 -3.133 4.241 -9.177 72 HA CYS 11 HA CYS 11 -0.755 5.856 -8.538 73 HB2 CYS 11 HB2 CYS 11 0.738 4.044 -8.438 74 HB3 CYS 11 HB3 CYS 11 -0.596 3.574 -7.395 75 H SER 12 H SER 12 0.988 5.137 -10.442 76 HA SER 12 HA SER 12 -0.409 4.745 -13.022 77 HB2 SER 12 HB2 SER 12 0.495 6.688 -14.053 78 HB3 SER 12 HB3 SER 12 -0.280 7.227 -12.553 79 HG SER 12 HG SER 12 1.736 8.187 -12.688 80 H LEU 13 H LEU 13 1.058 4.379 -14.830 81 HA LEU 13 HA LEU 13 3.134 2.489 -14.259 82 HB2 LEU 13 HB2 LEU 13 2.614 4.086 -16.798 83 HB3 LEU 13 HB3 LEU 13 3.614 2.643 -16.674 84 HG LEU 13 HG LEU 13 0.596 2.786 -16.290 85 HD11 LEU 13 HD11 LEU 13 1.398 2.921 -18.630 86 HD12 LEU 13 HD12 LEU 13 0.533 1.409 -18.313 87 HD13 LEU 13 HD13 LEU 13 2.311 1.412 -18.401 88 HD21 LEU 13 HD21 LEU 13 0.673 0.303 -16.177 89 HD22 LEU 13 HD22 LEU 13 1.455 1.052 -14.790 90 HD23 LEU 13 HD23 LEU 13 2.449 0.370 -16.099 91 H TYR 14 H TYR 14 3.256 5.996 -14.723 92 HA TYR 14 HA TYR 14 6.106 6.212 -14.886 93 HB2 TYR 14 HB2 TYR 14 3.965 8.188 -14.095 94 HB3 TYR 14 HB3 TYR 14 5.669 8.591 -14.176 95 HD1 TYR 14 HD1 TYR 14 6.955 8.194 -16.381 96 HD2 TYR 14 HD2 TYR 14 2.649 8.260 -16.100 97 HE1 TYR 14 HE1 TYR 14 6.795 8.587 -18.841 98 HE2 TYR 14 HE2 TYR 14 2.495 8.657 -18.554 99 HH TYR 14 HH TYR 14 3.647 8.927 -20.522 100 H GLN 15 H GLN 15 4.027 5.795 -12.097 101 HA GLN 15 HA GLN 15 6.163 6.378 -10.169 102 HB2 GLN 15 HB2 GLN 15 3.422 5.106 -9.856 103 HB3 GLN 15 HB3 GLN 15 4.554 5.439 -8.534 104 HG2 GLN 15 HG2 GLN 15 4.586 7.839 -9.149 105 HG3 GLN 15 HG3 GLN 15 3.392 7.544 -10.414 106 HE21 GLN 15 HE21 GLN 15 3.399 9.119 -7.776 107 HE22 GLN 15 HE22 GLN 15 1.889 8.612 -7.020 108 H LEU 16 H LEU 16 4.858 3.514 -11.784 109 HA LEU 16 HA LEU 16 6.299 1.525 -10.256 110 HB2 LEU 16 HB2 LEU 16 4.844 1.584 -12.935 111 HB3 LEU 16 HB3 LEU 16 5.647 0.134 -12.385 112 HG LEU 16 HG LEU 16 3.682 1.489 -10.518 113 HD11 LEU 16 HD11 LEU 16 1.902 0.022 -11.479 114 HD12 LEU 16 HD12 LEU 16 2.962 -0.265 -12.878 115 HD13 LEU 16 HD13 LEU 16 2.377 1.374 -12.509 116 HD21 LEU 16 HD21 LEU 16 4.276 -1.446 -11.083 117 HD22 LEU 16 HD22 LEU 16 3.330 -0.776 -9.744 118 HD23 LEU 16 HD23 LEU 16 5.079 -0.508 -9.804 119 H GLU 17 H GLU 17 7.246 3.511 -13.041 120 HA GLU 17 HA GLU 17 9.542 2.132 -13.942 121 HB2 GLU 17 HB2 GLU 17 8.974 5.099 -13.596 122 HB3 GLU 17 HB3 GLU 17 10.479 4.492 -14.300 123 HG2 GLU 17 HG2 GLU 17 9.244 3.313 -16.055 124 HG3 GLU 17 HG3 GLU 17 7.712 3.926 -15.413 125 H ASN 18 H ASN 18 9.064 3.535 -10.818 126 HA ASN 18 HA ASN 18 11.872 3.982 -10.155 127 HB2 ASN 18 HB2 ASN 18 9.311 3.874 -8.509 128 HB3 ASN 18 HB3 ASN 18 10.890 4.238 -7.824 129 HD21 ASN 18 HD21 ASN 18 8.172 5.578 -9.301 130 HD22 ASN 18 HD22 ASN 18 8.849 7.183 -9.614 131 H TYR 19 H TYR 19 9.984 1.103 -10.379 132 HA TYR 19 HA TYR 19 11.588 -0.259 -8.301 133 HB2 TYR 19 HB2 TYR 19 8.860 -0.785 -9.416 134 HB3 TYR 19 HB3 TYR 19 9.745 -1.973 -8.469 135 HD1 TYR 19 HD1 TYR 19 8.349 1.505 -8.379 136 HD2 TYR 19 HD2 TYR 19 9.889 -1.810 -6.085 137 HE1 TYR 19 HE1 TYR 19 7.732 2.668 -6.287 138 HE2 TYR 19 HE2 TYR 19 9.186 -0.683 -3.981 139 HH TYR 19 HH TYR 19 8.509 1.359 -3.066 140 H CYS 20 H CYS 20 11.401 -0.106 -11.641 141 HA CYS 20 HA CYS 20 12.522 -2.573 -12.502 142 HB2 CYS 20 HB2 CYS 20 11.479 -0.768 -13.881 143 HB3 CYS 20 HB3 CYS 20 12.873 0.250 -13.549 144 H LYS 21 H LYS 21 14.498 -3.405 -12.301 145 HA LYS 21 HA LYS 21 16.906 -1.928 -11.524 146 HB2 LYS 21 HB2 LYS 21 15.654 -2.101 -9.396 147 HB3 LYS 21 HB3 LYS 21 15.461 -3.837 -9.628 148 HG2 LYS 21 HG2 LYS 21 17.169 -3.425 -7.988 149 HG3 LYS 21 HG3 LYS 21 17.910 -4.161 -9.407 150 HD2 LYS 21 HD2 LYS 21 18.739 -1.931 -10.139 151 HD3 LYS 21 HD3 LYS 21 17.942 -1.175 -8.742 152 HE2 LYS 21 HE2 LYS 21 19.331 -2.561 -7.213 153 HE3 LYS 21 HE3 LYS 21 20.106 -3.322 -8.606 154 HZ1 LYS 21 HZ1 LYS 21 21.466 -1.519 -7.741 155 HZ2 LYS 21 HZ2 LYS 21 20.262 -0.432 -7.934 156 HZ3 LYS 21 HZ3 LYS 21 20.963 -1.126 -9.238 157 H1 PHE 1 H1 PHE 1 -1.646 4.282 -19.846 158 H2 PHE 1 H2 PHE 1 -1.668 4.697 -21.437 159 H3 PHE 1 H3 PHE 1 -2.883 3.793 -20.801 160 HA PHE 1 HA PHE 1 -2.220 6.536 -20.097 161 HB2 PHE 1 HB2 PHE 1 -4.392 5.541 -21.915 162 HB3 PHE 1 HB3 PHE 1 -4.530 7.074 -21.075 163 HD1 PHE 1 HD1 PHE 1 -3.035 5.404 -23.917 164 HD2 PHE 1 HD2 PHE 1 -2.744 8.875 -21.364 165 HE1 PHE 1 HE1 PHE 1 -1.670 6.557 -25.635 166 HE2 PHE 1 HE2 PHE 1 -1.388 10.024 -23.093 167 HZ PHE 1 HZ PHE 1 -0.843 8.870 -25.225 168 H VAL 2 H VAL 2 -3.589 7.729 -18.787 169 HA VAL 2 HA VAL 2 -4.519 8.226 -16.934 170 HB VAL 2 HB VAL 2 -6.465 7.354 -18.351 171 HG11 VAL 2 HG11 VAL 2 -6.795 5.540 -15.921 172 HG12 VAL 2 HG12 VAL 2 -7.985 5.828 -17.203 173 HG13 VAL 2 HG13 VAL 2 -6.484 4.988 -17.573 174 HG21 VAL 2 HG21 VAL 2 -8.039 8.216 -16.729 175 HG22 VAL 2 HG22 VAL 2 -6.895 7.978 -15.403 176 HG23 VAL 2 HG23 VAL 2 -6.560 9.179 -16.669 177 H ASN 3 H ASN 3 -4.610 8.243 -14.783 178 HA ASN 3 HA ASN 3 -3.099 6.245 -13.344 179 HB2 ASN 3 HB2 ASN 3 -3.699 7.595 -11.351 180 HB3 ASN 3 HB3 ASN 3 -2.935 8.492 -12.644 181 HD21 ASN 3 HD21 ASN 3 -6.458 7.759 -12.775 182 HD22 ASN 3 HD22 ASN 3 -6.902 9.440 -12.504 183 H GLN 4 H GLN 4 -3.769 4.618 -11.941 184 HA GLN 4 HA GLN 4 -6.594 3.815 -11.795 185 HB2 GLN 4 HB2 GLN 4 -6.285 1.836 -13.176 186 HB3 GLN 4 HB3 GLN 4 -5.888 3.287 -14.085 187 HG2 GLN 4 HG2 GLN 4 -3.409 2.797 -13.512 188 HG3 GLN 4 HG3 GLN 4 -3.965 1.205 -12.988 189 HE21 GLN 4 HE21 GLN 4 -4.026 3.473 -15.847 190 HE22 GLN 4 HE22 GLN 4 -4.162 2.172 -17.016 191 H HIS 5 H HIS 5 -6.815 1.576 -10.848 192 HA HIS 5 HA HIS 5 -4.913 1.107 -8.622 193 HB2 HIS 5 HB2 HIS 5 -7.536 -0.271 -9.305 194 HB3 HIS 5 HB3 HIS 5 -6.584 -0.507 -7.842 195 HD1 HIS 5 HD1 HIS 5 -6.216 2.049 -6.449 196 HD2 HIS 5 HD2 HIS 5 -9.572 1.293 -8.886 197 HE1 HIS 5 HE1 HIS 5 -8.063 3.634 -5.658 198 H LEU 6 H LEU 6 -3.752 -0.761 -8.346 199 HA LEU 6 HA LEU 6 -3.939 -3.055 -10.176 200 HB2 LEU 6 HB2 LEU 6 -1.314 -1.573 -9.784 201 HB3 LEU 6 HB3 LEU 6 -1.488 -3.139 -10.552 202 HG LEU 6 HG LEU 6 -2.777 -0.605 -11.656 203 HD11 LEU 6 HD11 LEU 6 -0.064 -1.801 -12.210 204 HD12 LEU 6 HD12 LEU 6 -0.439 -0.199 -11.535 205 HD13 LEU 6 HD13 LEU 6 -0.845 -0.558 -13.218 206 HD21 LEU 6 HD21 LEU 6 -3.683 -2.779 -12.531 207 HD22 LEU 6 HD22 LEU 6 -2.025 -3.227 -13.025 208 HD23 LEU 6 HD23 LEU 6 -2.838 -1.835 -13.765 209 H CYS 7 H CYS 7 -3.871 -4.874 -8.857 210 HA CYS 7 HA CYS 7 -2.170 -4.796 -6.401 211 HB2 CYS 7 HB2 CYS 7 -4.587 -4.149 -5.919 212 HB3 CYS 7 HB3 CYS 7 -5.036 -5.797 -6.367 213 H GLY 8 H GLY 8 -1.322 -6.783 -5.780 214 HA2 GLY 8 HA2 GLY 8 -0.513 -8.933 -6.060 215 HA3 GLY 8 HA3 GLY 8 -2.079 -9.348 -6.745 216 H SER 9 H SER 9 -1.713 -10.402 -8.617 217 HA SER 9 HA SER 9 0.613 -10.277 -10.208 218 HB2 SER 9 HB2 SER 9 -0.722 -11.537 -11.864 219 HB3 SER 9 HB3 SER 9 -0.863 -12.190 -10.223 220 HG SER 9 HG SER 9 -2.905 -12.020 -11.269 221 H HIS 10 H HIS 10 -2.284 -8.227 -10.428 222 HA HIS 10 HA HIS 10 -1.866 -7.117 -13.022 223 HB2 HIS 10 HB2 HIS 10 -3.070 -6.005 -10.459 224 HB3 HIS 10 HB3 HIS 10 -3.005 -5.083 -11.946 225 HD1 HIS 10 HD1 HIS 10 -4.526 -5.928 -14.010 226 HD2 HIS 10 HD2 HIS 10 -5.026 -7.845 -10.297 227 HE1 HIS 10 HE1 HIS 10 -6.759 -7.121 -14.125 228 H LEU 11 H LEU 11 -0.372 -6.264 -9.882 229 HA LEU 11 HA LEU 11 0.937 -3.869 -10.873 230 HB2 LEU 11 HB2 LEU 11 0.323 -4.298 -8.485 231 HB3 LEU 11 HB3 LEU 11 1.485 -5.607 -8.430 232 HG LEU 11 HG LEU 11 2.931 -3.330 -9.450 233 HD11 LEU 11 HD11 LEU 11 1.142 -1.939 -8.648 234 HD12 LEU 11 HD12 LEU 11 2.586 -1.700 -7.659 235 HD13 LEU 11 HD13 LEU 11 1.238 -2.667 -7.021 236 HD21 LEU 11 HD21 LEU 11 2.930 -4.639 -6.713 237 HD22 LEU 11 HD22 LEU 11 4.183 -3.534 -7.336 238 HD23 LEU 11 HD23 LEU 11 3.919 -5.106 -8.115 239 H VAL 12 H VAL 12 1.963 -7.251 -10.293 240 HA VAL 12 HA VAL 12 4.662 -6.909 -11.198 241 HB VAL 12 HB VAL 12 3.073 -9.496 -11.358 242 HG11 VAL 12 HG11 VAL 12 6.037 -8.932 -10.979 243 HG12 VAL 12 HG12 VAL 12 5.274 -10.541 -10.986 244 HG13 VAL 12 HG13 VAL 12 5.283 -9.565 -12.458 245 HG21 VAL 12 HG21 VAL 12 4.537 -8.313 -8.969 246 HG22 VAL 12 HG22 VAL 12 2.799 -8.666 -9.078 247 HG23 VAL 12 HG23 VAL 12 3.961 -9.985 -9.082 248 H GLU 13 H GLU 13 1.687 -7.764 -12.998 249 HA GLU 13 HA GLU 13 2.926 -8.060 -15.565 250 HB2 GLU 13 HB2 GLU 13 0.691 -8.862 -15.036 251 HB3 GLU 13 HB3 GLU 13 0.110 -7.207 -14.795 252 HG2 GLU 13 HG2 GLU 13 0.515 -6.673 -17.150 253 HG3 GLU 13 HG3 GLU 13 1.246 -8.262 -17.408 254 H ALA 14 H ALA 14 1.814 -5.123 -13.790 255 HA ALA 14 HA ALA 14 2.271 -3.363 -16.041 256 HB1 ALA 14 HB1 ALA 14 1.922 -1.600 -14.423 257 HB2 ALA 14 HB2 ALA 14 0.726 -2.889 -14.178 258 HB3 ALA 14 HB3 ALA 14 2.105 -2.741 -13.066 259 H LEU 15 H LEU 15 4.299 -4.258 -13.179 260 HA LEU 15 HA LEU 15 6.622 -2.722 -13.880 261 HB2 LEU 15 HB2 LEU 15 6.371 -5.436 -12.498 262 HB3 LEU 15 HB3 LEU 15 7.861 -4.512 -12.599 263 HG LEU 15 HG LEU 15 5.373 -3.438 -11.282 264 HD11 LEU 15 HD11 LEU 15 6.128 -5.452 -10.095 265 HD12 LEU 15 HD12 LEU 15 6.433 -4.007 -9.133 266 HD13 LEU 15 HD13 LEU 15 7.775 -4.795 -9.992 267 HD21 LEU 15 HD21 LEU 15 8.312 -2.635 -11.117 268 HD22 LEU 15 HD22 LEU 15 6.978 -1.914 -10.174 269 HD23 LEU 15 HD23 LEU 15 7.031 -1.714 -11.935 270 H TYR 16 H TYR 16 5.696 -6.026 -14.771 271 HA TYR 16 HA TYR 16 7.788 -6.692 -16.493 272 HB2 TYR 16 HB2 TYR 16 6.410 -8.409 -15.855 273 HB3 TYR 16 HB3 TYR 16 4.949 -7.540 -16.296 274 HD1 TYR 16 HD1 TYR 16 4.176 -7.313 -18.628 275 HD2 TYR 16 HD2 TYR 16 7.506 -9.820 -17.502 276 HE1 TYR 16 HE1 TYR 16 4.002 -8.521 -20.807 277 HE2 TYR 16 HE2 TYR 16 7.313 -11.038 -19.668 278 HH TYR 16 HH TYR 16 6.211 -11.214 -21.658 279 H LEU 17 H LEU 17 5.026 -4.686 -17.325 280 HA LEU 17 HA LEU 17 5.736 -4.564 -20.166 281 HB2 LEU 17 HB2 LEU 17 3.405 -4.615 -19.386 282 HB3 LEU 17 HB3 LEU 17 3.673 -3.159 -18.431 283 HG LEU 17 HG LEU 17 4.057 -1.847 -20.526 284 HD11 LEU 17 HD11 LEU 17 3.205 -4.435 -21.907 285 HD12 LEU 17 HD12 LEU 17 4.785 -3.636 -22.057 286 HD13 LEU 17 HD13 LEU 17 3.338 -2.843 -22.685 287 HD21 LEU 17 HD21 LEU 17 1.694 -1.827 -21.218 288 HD22 LEU 17 HD22 LEU 17 1.846 -1.932 -19.455 289 HD23 LEU 17 HD23 LEU 17 1.429 -3.384 -20.403 290 H VAL 18 H VAL 18 5.917 -2.438 -17.324 291 HA VAL 18 HA VAL 18 6.892 -0.078 -18.654 292 HB VAL 18 HB VAL 18 6.741 -1.084 -15.788 293 HG11 VAL 18 HG11 VAL 18 7.854 1.578 -16.670 294 HG12 VAL 18 HG12 VAL 18 7.307 1.196 -15.020 295 HG13 VAL 18 HG13 VAL 18 8.684 0.328 -15.700 296 HG21 VAL 18 HG21 VAL 18 5.408 1.243 -17.239 297 HG22 VAL 18 HG22 VAL 18 4.656 -0.344 -16.965 298 HG23 VAL 18 HG23 VAL 18 5.058 0.685 -15.587 299 H CYS 19 H CYS 19 8.578 -2.631 -16.747 300 HA CYS 19 HA CYS 19 11.229 -1.501 -17.336 301 HB2 CYS 19 HB2 CYS 19 10.396 -2.484 -15.142 302 HB3 CYS 19 HB3 CYS 19 10.417 -4.060 -15.932 303 H GLY 20 H GLY 20 9.145 -4.063 -18.633 304 HA2 GLY 20 HA2 GLY 20 9.371 -5.196 -20.659 305 HA3 GLY 20 HA3 GLY 20 10.974 -4.488 -20.887 306 H GLU 21 H GLU 21 9.417 -6.626 -18.518 307 HA GLU 21 HA GLU 21 10.131 -8.330 -17.223 308 HB2 GLU 21 HB2 GLU 21 10.534 -10.371 -18.332 309 HB3 GLU 21 HB3 GLU 21 9.350 -9.435 -19.238 310 HG2 GLU 21 HG2 GLU 21 10.947 -8.900 -20.966 311 HG3 GLU 21 HG3 GLU 21 12.283 -9.580 -20.024 312 H ARG 22 H ARG 22 12.309 -6.282 -17.677 313 HA ARG 22 HA ARG 22 14.829 -7.634 -17.690 314 HB2 ARG 22 HB2 ARG 22 14.713 -5.539 -18.694 315 HB3 ARG 22 HB3 ARG 22 13.832 -4.824 -17.365 316 HG2 ARG 22 HG2 ARG 22 15.975 -3.832 -17.462 317 HG3 ARG 22 HG3 ARG 22 15.822 -4.758 -15.984 318 HD2 ARG 22 HD2 ARG 22 17.163 -6.630 -17.232 319 HD3 ARG 22 HD3 ARG 22 17.408 -5.451 -18.512 320 HE ARG 22 HE ARG 22 19.017 -4.408 -17.215 321 HH11 ARG 22 HH11 ARG 22 17.183 -6.391 -14.959 322 HH12 ARG 22 HH12 ARG 22 17.727 -5.439 -13.592 323 HH21 ARG 22 HH21 ARG 22 19.848 -3.444 -15.333 324 HH22 ARG 22 HH22 ARG 22 19.188 -3.969 -13.785 325 H GLY 23 H GLY 23 12.798 -6.916 -14.896 326 HA2 GLY 23 HA2 GLY 23 14.194 -8.659 -13.257 327 HA3 GLY 23 HA3 GLY 23 15.019 -7.134 -12.986 328 H PHE 24 H PHE 24 13.870 -5.405 -12.065 329 HA PHE 24 HA PHE 24 12.875 -4.477 -10.404 330 HB2 PHE 24 HB2 PHE 24 10.311 -4.558 -10.248 331 HB3 PHE 24 HB3 PHE 24 11.110 -3.893 -11.632 332 HD1 PHE 24 HD1 PHE 24 10.819 -4.704 -13.762 333 HD2 PHE 24 HD2 PHE 24 9.313 -6.913 -10.404 334 HE1 PHE 24 HE1 PHE 24 9.686 -6.295 -15.336 335 HE2 PHE 24 HE2 PHE 24 8.111 -8.464 -11.960 336 HZ PHE 24 HZ PHE 24 8.331 -8.179 -14.410 337 H PHE 25 H PHE 25 11.525 -4.291 -8.506 338 HA PHE 25 HA PHE 25 11.320 -6.802 -6.970 339 HB2 PHE 25 HB2 PHE 25 12.069 -5.665 -4.887 340 HB3 PHE 25 HB3 PHE 25 13.308 -6.025 -6.075 341 HD1 PHE 25 HD1 PHE 25 11.364 -3.312 -4.480 342 HD2 PHE 25 HD2 PHE 25 14.571 -4.244 -7.212 343 HE1 PHE 25 HE1 PHE 25 12.110 -0.942 -4.417 344 HE2 PHE 25 HE2 PHE 25 15.327 -1.876 -7.108 345 HZ PHE 25 HZ PHE 25 14.084 -0.224 -5.747 346 H TYR 26 H TYR 26 9.672 -7.023 -5.531 347 HA TYR 26 HA TYR 26 8.004 -4.692 -4.950 348 HB2 TYR 26 HB2 TYR 26 5.891 -6.082 -5.205 349 HB3 TYR 26 HB3 TYR 26 6.643 -5.349 -6.606 350 HD1 TYR 26 HD1 TYR 26 5.807 -8.531 -4.976 351 HD2 TYR 26 HD2 TYR 26 7.850 -6.687 -8.296 352 HE1 TYR 26 HE1 TYR 26 5.932 -10.738 -6.134 353 HE2 TYR 26 HE2 TYR 26 8.003 -8.899 -9.436 354 HH TYR 26 HH TYR 26 7.542 -11.146 -9.304 355 H THR 27 H THR 27 7.657 -4.319 -2.930 356 HA THR 27 HA THR 27 8.870 -5.884 -1.054 357 HB THR 27 HB THR 27 6.843 -3.911 -0.120 358 HG1 THR 27 HG1 THR 27 8.317 -2.287 -0.655 359 HG21 THR 27 HG21 THR 27 8.703 -3.270 1.387 360 HG22 THR 27 HG22 THR 27 9.745 -4.488 0.630 361 HG23 THR 27 HG23 THR 27 8.307 -4.994 1.546 362 HA PRO 28 HA PRO 28 5.804 -8.916 0.061 363 HB2 PRO 28 HB2 PRO 28 7.087 -10.254 2.067 364 HB3 PRO 28 HB3 PRO 28 7.546 -10.395 0.344 365 HG2 PRO 28 HG2 PRO 28 8.802 -8.618 2.457 366 HG3 PRO 28 HG3 PRO 28 9.621 -9.708 1.295 367 HD2 PRO 28 HD2 PRO 28 9.348 -7.042 0.823 368 HD3 PRO 28 HD3 PRO 28 9.230 -8.237 -0.504 369 H LYS 29 H LYS 29 4.060 -8.717 1.216 370 HA LYS 29 HA LYS 29 2.579 -7.560 2.693 371 HB2 LYS 29 HB2 LYS 29 3.811 -10.007 4.003 372 HB3 LYS 29 HB3 LYS 29 2.303 -9.237 4.529 373 HG2 LYS 29 HG2 LYS 29 1.311 -9.609 2.286 374 HG3 LYS 29 HG3 LYS 29 2.807 -10.414 1.762 375 HD2 LYS 29 HD2 LYS 29 2.508 -12.122 3.537 376 HD3 LYS 29 HD3 LYS 29 1.001 -11.328 4.045 377 HE2 LYS 29 HE2 LYS 29 0.037 -11.717 1.794 378 HE3 LYS 29 HE3 LYS 29 1.540 -12.497 1.280 379 HZ1 LYS 29 HZ1 LYS 29 1.163 -14.203 2.978 380 HZ2 LYS 29 HZ2 LYS 29 -0.112 -14.139 1.963 381 HZ3 LYS 29 HZ3 LYS 29 -0.232 -13.488 3.452 382 H THR 30 H THR 30 4.579 -8.613 5.334 383 HA THR 30 HA THR 30 4.122 -6.138 6.675 384 HB THR 30 HB THR 30 5.794 -8.122 8.072 385 HG1 THR 30 HG1 THR 30 4.017 -9.450 8.403 386 HG21 THR 30 HG21 THR 30 3.176 -6.739 8.809 387 HG22 THR 30 HG22 THR 30 4.790 -6.115 9.206 388 HG23 THR 30 HG23 THR 30 4.252 -7.654 9.893 389 H LYS 31 H LYS 31 6.213 -6.239 4.482 390 HA LYS 31 HA LYS 31 8.012 -5.058 3.855 391 HB2 LYS 31 HB2 LYS 31 7.611 -3.263 6.264 392 HB3 LYS 31 HB3 LYS 31 8.306 -2.845 4.700 393 HG2 LYS 31 HG2 LYS 31 5.401 -3.400 5.357 394 HG3 LYS 31 HG3 LYS 31 6.128 -1.865 4.897 395 HD2 LYS 31 HD2 LYS 31 6.655 -2.806 2.636 396 HD3 LYS 31 HD3 LYS 31 5.804 -4.299 3.066 397 HE2 LYS 31 HE2 LYS 31 4.620 -1.493 2.918 398 HE3 LYS 31 HE3 LYS 31 4.382 -2.785 1.735 399 HZ1 LYS 31 HZ1 LYS 31 2.499 -2.652 3.220 400 HZ2 LYS 31 HZ2 LYS 31 3.426 -2.826 4.545 401 HZ3 LYS 31 HZ3 LYS 31 3.289 -4.084 3.516 402 H ARG 32 H ARG 32 8.511 -7.269 5.719 403 HA ARG 32 HA ARG 32 10.936 -6.581 7.229 404 HB2 ARG 32 HB2 ARG 32 9.714 -9.303 6.610 405 HB3 ARG 32 HB3 ARG 32 11.015 -8.981 7.752 406 HG2 ARG 32 HG2 ARG 32 8.102 -8.116 8.007 407 HG3 ARG 32 HG3 ARG 32 8.978 -9.305 8.971 408 HD2 ARG 32 HD2 ARG 32 10.524 -7.400 9.690 409 HD3 ARG 32 HD3 ARG 32 9.387 -6.283 8.941 410 HE ARG 32 HE ARG 32 8.968 -7.983 11.350 411 HH11 ARG 32 HH11 ARG 32 7.678 -7.170 12.927 412 HH12 ARG 32 HH12 ARG 32 6.652 -5.799 12.611 413 HH21 ARG 32 HH21 ARG 32 7.478 -5.527 9.299 414 HH22 ARG 32 HH22 ARG 32 6.632 -4.836 10.655 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 6.372 -0.100 -0.105 2 H2 GLY 1 H2 GLY 1 5.917 -1.052 -1.347 3 H3 GLY 1 H3 GLY 1 4.770 -0.320 -0.410 4 HA2 GLY 1 HA2 GLY 1 5.551 1.872 -1.147 5 HA3 GLY 1 HA3 GLY 1 6.673 1.023 -2.234 6 H ILE 2 H ILE 2 5.923 0.674 -4.291 7 HA ILE 2 HA ILE 2 3.456 1.685 -5.122 8 HB ILE 2 HB ILE 2 5.526 1.400 -6.460 9 HG12 ILE 2 HG12 ILE 2 4.515 1.013 -8.626 10 HG13 ILE 2 HG13 ILE 2 3.049 0.405 -7.864 11 HG21 ILE 2 HG21 ILE 2 4.563 -1.442 -6.999 12 HG22 ILE 2 HG22 ILE 2 5.978 -0.645 -7.688 13 HG23 ILE 2 HG23 ILE 2 5.954 -1.042 -5.969 14 HD11 ILE 2 HD11 ILE 2 4.181 3.209 -7.442 15 HD12 ILE 2 HD12 ILE 2 2.945 2.800 -8.650 16 HD13 ILE 2 HD13 ILE 2 2.574 2.615 -6.935 17 H VAL 3 H VAL 3 4.248 -1.592 -4.176 18 HA VAL 3 HA VAL 3 1.941 -2.967 -4.984 19 HB VAL 3 HB VAL 3 4.038 -3.923 -4.083 20 HG11 VAL 3 HG11 VAL 3 4.229 -2.501 -2.018 21 HG12 VAL 3 HG12 VAL 3 2.859 -3.405 -1.325 22 HG13 VAL 3 HG13 VAL 3 4.372 -4.235 -1.729 23 HG21 VAL 3 HG21 VAL 3 2.021 -5.302 -4.383 24 HG22 VAL 3 HG22 VAL 3 3.009 -5.853 -3.015 25 HG23 VAL 3 HG23 VAL 3 1.527 -4.937 -2.717 26 H GLU 4 H GLU 4 2.246 -0.742 -2.226 27 HA GLU 4 HA GLU 4 -0.608 -1.206 -1.517 28 HB2 GLU 4 HB2 GLU 4 1.476 0.680 -0.336 29 HB3 GLU 4 HB3 GLU 4 -0.219 0.618 0.109 30 HG2 GLU 4 HG2 GLU 4 0.555 -0.731 1.728 31 HG3 GLU 4 HG3 GLU 4 0.181 -1.941 0.512 32 H GLN 5 H GLN 5 1.489 1.395 -2.858 33 HA GLN 5 HA GLN 5 -0.513 3.356 -2.961 34 HB2 GLN 5 HB2 GLN 5 1.912 3.734 -3.098 35 HB3 GLN 5 HB3 GLN 5 1.932 3.048 -4.723 36 HG2 GLN 5 HG2 GLN 5 0.573 4.871 -5.594 37 HG3 GLN 5 HG3 GLN 5 0.356 5.530 -3.966 38 HE21 GLN 5 HE21 GLN 5 2.466 6.214 -2.801 39 HE22 GLN 5 HE22 GLN 5 3.771 6.799 -3.823 40 H CYS 6 H CYS 6 0.109 0.834 -5.397 41 HA CYS 6 HA CYS 6 -1.979 1.881 -7.214 42 HB2 CYS 6 HB2 CYS 6 -0.262 -0.616 -7.160 43 HB3 CYS 6 HB3 CYS 6 -1.496 -0.298 -8.370 44 H CYS 7 H CYS 7 -1.940 -0.231 -4.424 45 HA CYS 7 HA CYS 7 -4.293 -1.774 -5.375 46 HB2 CYS 7 HB2 CYS 7 -2.382 -2.960 -4.385 47 HB3 CYS 7 HB3 CYS 7 -2.577 -2.066 -2.882 48 H THR 8 H THR 8 -3.353 0.273 -2.567 49 HA THR 8 HA THR 8 -6.121 0.612 -1.715 50 HB THR 8 HB THR 8 -5.420 1.663 0.167 51 HG1 THR 8 HG1 THR 8 -3.447 2.674 0.404 52 HG21 THR 8 HG21 THR 8 -4.510 -0.691 0.068 53 HG22 THR 8 HG22 THR 8 -3.612 0.395 1.149 54 HG23 THR 8 HG23 THR 8 -2.944 -0.022 -0.436 55 H SER 9 H SER 9 -4.280 2.239 -4.036 56 HA SER 9 HA SER 9 -6.389 4.242 -4.406 57 HB2 SER 9 HB2 SER 9 -4.741 5.280 -2.798 58 HB3 SER 9 HB3 SER 9 -3.499 5.145 -4.060 59 HG SER 9 HG SER 9 -4.584 7.202 -3.996 60 H ILE 10 H ILE 10 -5.793 5.604 -6.443 61 HA ILE 10 HA ILE 10 -5.154 3.667 -8.570 62 HB ILE 10 HB ILE 10 -5.941 5.387 -10.122 63 HG12 ILE 10 HG12 ILE 10 -6.538 7.071 -7.642 64 HG13 ILE 10 HG13 ILE 10 -5.348 7.440 -8.884 65 HG21 ILE 10 HG21 ILE 10 -7.415 3.671 -9.064 66 HG22 ILE 10 HG22 ILE 10 -7.919 4.895 -7.878 67 HG23 ILE 10 HG23 ILE 10 -8.272 5.114 -9.610 68 HD11 ILE 10 HD11 ILE 10 -7.273 8.789 -9.305 69 HD12 ILE 10 HD12 ILE 10 -7.228 7.544 -10.574 70 HD13 ILE 10 HD13 ILE 10 -8.367 7.402 -9.215 71 H CYS 11 H CYS 11 -3.497 3.741 -10.021 72 HA CYS 11 HA CYS 11 -1.350 5.776 -9.696 73 HB2 CYS 11 HB2 CYS 11 0.285 4.124 -9.353 74 HB3 CYS 11 HB3 CYS 11 -1.024 3.703 -8.258 75 H SER 12 H SER 12 0.469 5.200 -11.402 76 HA SER 12 HA SER 12 -0.543 4.085 -13.941 77 HB2 SER 12 HB2 SER 12 -1.203 6.439 -14.049 78 HB3 SER 12 HB3 SER 12 0.467 6.946 -13.729 79 HG SER 12 HG SER 12 -0.182 6.926 -15.986 80 H LEU 13 H LEU 13 1.240 4.179 -15.614 81 HA LEU 13 HA LEU 13 3.283 2.429 -14.710 82 HB2 LEU 13 HB2 LEU 13 3.229 4.008 -17.296 83 HB3 LEU 13 HB3 LEU 13 4.080 2.504 -16.994 84 HG LEU 13 HG LEU 13 1.062 2.909 -17.149 85 HD11 LEU 13 HD11 LEU 13 2.264 2.908 -19.302 86 HD12 LEU 13 HD12 LEU 13 1.232 1.474 -19.137 87 HD13 LEU 13 HD13 LEU 13 2.991 1.334 -18.905 88 HD21 LEU 13 HD21 LEU 13 1.486 1.141 -15.489 89 HD22 LEU 13 HD22 LEU 13 2.598 0.324 -16.607 90 HD23 LEU 13 HD23 LEU 13 0.865 0.433 -16.980 91 H TYR 14 H TYR 14 3.412 5.938 -15.194 92 HA TYR 14 HA TYR 14 6.219 6.277 -14.946 93 HB2 TYR 14 HB2 TYR 14 3.905 8.104 -14.289 94 HB3 TYR 14 HB3 TYR 14 5.582 8.587 -14.123 95 HD1 TYR 14 HD1 TYR 14 7.154 8.484 -16.149 96 HD2 TYR 14 HD2 TYR 14 2.857 8.185 -16.458 97 HE1 TYR 14 HE1 TYR 14 7.278 9.106 -18.554 98 HE2 TYR 14 HE2 TYR 14 2.988 8.809 -18.868 99 HH TYR 14 HH TYR 14 6.111 9.518 -20.481 100 H GLN 15 H GLN 15 3.938 5.508 -12.454 101 HA GLN 15 HA GLN 15 5.766 6.167 -10.234 102 HB2 GLN 15 HB2 GLN 15 3.055 4.799 -10.350 103 HB3 GLN 15 HB3 GLN 15 3.933 5.133 -8.875 104 HG2 GLN 15 HG2 GLN 15 3.754 7.498 -9.122 105 HG3 GLN 15 HG3 GLN 15 3.249 7.375 -10.811 106 HE21 GLN 15 HE21 GLN 15 2.123 6.347 -7.517 107 HE22 GLN 15 HE22 GLN 15 0.419 6.525 -7.946 108 H LEU 16 H LEU 16 4.749 3.353 -12.095 109 HA LEU 16 HA LEU 16 6.037 1.316 -10.466 110 HB2 LEU 16 HB2 LEU 16 4.812 1.409 -13.257 111 HB3 LEU 16 HB3 LEU 16 5.472 -0.070 -12.591 112 HG LEU 16 HG LEU 16 3.403 1.396 -10.942 113 HD11 LEU 16 HD11 LEU 16 2.811 -0.244 -13.422 114 HD12 LEU 16 HD12 LEU 16 2.293 1.422 -13.048 115 HD13 LEU 16 HD13 LEU 16 1.635 0.072 -12.124 116 HD21 LEU 16 HD21 LEU 16 2.816 -0.850 -10.248 117 HD22 LEU 16 HD22 LEU 16 4.585 -0.715 -10.155 118 HD23 LEU 16 HD23 LEU 16 3.825 -1.568 -11.513 119 H GLU 17 H GLU 17 7.054 3.221 -13.300 120 HA GLU 17 HA GLU 17 9.364 1.846 -14.113 121 HB2 GLU 17 HB2 GLU 17 8.649 4.788 -13.952 122 HB3 GLU 17 HB3 GLU 17 10.245 4.288 -14.519 123 HG2 GLU 17 HG2 GLU 17 9.270 2.925 -16.287 124 HG3 GLU 17 HG3 GLU 17 7.638 3.372 -15.777 125 H ASN 18 H ASN 18 8.902 3.393 -11.071 126 HA ASN 18 HA ASN 18 11.719 3.822 -10.411 127 HB2 ASN 18 HB2 ASN 18 9.154 3.851 -8.771 128 HB3 ASN 18 HB3 ASN 18 10.729 4.377 -8.173 129 HD21 ASN 18 HD21 ASN 18 7.887 5.408 -9.596 130 HD22 ASN 18 HD22 ASN 18 8.454 6.959 -10.221 131 H TYR 19 H TYR 19 9.845 0.958 -10.543 132 HA TYR 19 HA TYR 19 11.228 -0.245 -8.222 133 HB2 TYR 19 HB2 TYR 19 8.524 -0.733 -9.404 134 HB3 TYR 19 HB3 TYR 19 9.278 -1.853 -8.280 135 HD1 TYR 19 HD1 TYR 19 9.165 -1.456 -5.937 136 HD2 TYR 19 HD2 TYR 19 8.233 1.724 -8.671 137 HE1 TYR 19 HE1 TYR 19 8.181 -0.141 -4.071 138 HE2 TYR 19 HE2 TYR 19 7.545 3.158 -6.789 139 HH TYR 19 HH TYR 19 7.355 3.328 -4.476 140 H CYS 20 H CYS 20 11.596 -0.370 -11.464 141 HA CYS 20 HA CYS 20 12.335 -2.998 -12.085 142 HB2 CYS 20 HB2 CYS 20 13.674 -0.425 -12.973 143 HB3 CYS 20 HB3 CYS 20 13.668 -1.954 -13.824 144 H LYS 21 H LYS 21 14.247 -4.094 -11.937 145 HA LYS 21 HA LYS 21 15.992 -5.032 -10.886 146 HB2 LYS 21 HB2 LYS 21 17.097 -3.353 -12.331 147 HB3 LYS 21 HB3 LYS 21 17.112 -2.216 -11.006 148 HG2 LYS 21 HG2 LYS 21 19.299 -3.351 -11.382 149 HG3 LYS 21 HG3 LYS 21 18.688 -3.548 -9.746 150 HD2 LYS 21 HD2 LYS 21 19.692 -5.624 -10.557 151 HD3 LYS 21 HD3 LYS 21 17.978 -5.842 -10.219 152 HE2 LYS 21 HE2 LYS 21 17.540 -5.496 -12.707 153 HE3 LYS 21 HE3 LYS 21 19.292 -5.485 -12.954 154 HZ1 LYS 21 HZ1 LYS 21 18.400 -7.703 -13.316 155 HZ2 LYS 21 HZ2 LYS 21 17.686 -7.733 -11.849 156 HZ3 LYS 21 HZ3 LYS 21 19.324 -7.753 -11.972 157 H1 PHE 1 H1 PHE 1 -4.639 11.508 -19.182 158 H2 PHE 1 H2 PHE 1 -4.711 10.864 -20.693 159 H3 PHE 1 H3 PHE 1 -3.650 10.271 -19.586 160 HA PHE 1 HA PHE 1 -6.548 10.162 -19.406 161 HB2 PHE 1 HB2 PHE 1 -4.649 8.014 -20.261 162 HB3 PHE 1 HB3 PHE 1 -6.210 7.629 -19.555 163 HD1 PHE 1 HD1 PHE 1 -8.362 8.574 -20.591 164 HD2 PHE 1 HD2 PHE 1 -4.531 8.663 -22.588 165 HE1 PHE 1 HE1 PHE 1 -9.496 8.939 -22.765 166 HE2 PHE 1 HE2 PHE 1 -5.684 9.016 -24.760 167 HZ PHE 1 HZ PHE 1 -8.161 9.163 -24.847 168 H VAL 2 H VAL 2 -7.517 8.799 -17.773 169 HA VAL 2 HA VAL 2 -6.516 9.609 -15.217 170 HB VAL 2 HB VAL 2 -8.761 7.627 -15.540 171 HG11 VAL 2 HG11 VAL 2 -8.221 9.883 -13.549 172 HG12 VAL 2 HG12 VAL 2 -9.657 8.840 -13.569 173 HG13 VAL 2 HG13 VAL 2 -8.084 8.135 -13.221 174 HG21 VAL 2 HG21 VAL 2 -9.326 9.392 -17.139 175 HG22 VAL 2 HG22 VAL 2 -10.332 9.539 -15.702 176 HG23 VAL 2 HG23 VAL 2 -8.962 10.644 -15.926 177 H ASN 3 H ASN 3 -5.666 8.534 -13.513 178 HA ASN 3 HA ASN 3 -4.121 6.132 -13.818 179 HB2 ASN 3 HB2 ASN 3 -5.065 7.805 -11.451 180 HB3 ASN 3 HB3 ASN 3 -4.157 6.323 -11.238 181 HD21 ASN 3 HD21 ASN 3 -2.640 7.753 -10.104 182 HD22 ASN 3 HD22 ASN 3 -1.420 8.539 -11.096 183 H GLN 4 H GLN 4 -4.397 4.100 -12.621 184 HA GLN 4 HA GLN 4 -7.175 3.345 -11.905 185 HB2 GLN 4 HB2 GLN 4 -7.124 1.348 -13.212 186 HB3 GLN 4 HB3 GLN 4 -6.856 2.725 -14.276 187 HG2 GLN 4 HG2 GLN 4 -4.585 2.161 -14.658 188 HG3 GLN 4 HG3 GLN 4 -4.469 1.162 -13.219 189 HE21 GLN 4 HE21 GLN 4 -5.686 -0.954 -13.163 190 HE22 GLN 4 HE22 GLN 4 -6.037 -1.714 -14.711 191 H HIS 5 H HIS 5 -7.345 1.272 -10.735 192 HA HIS 5 HA HIS 5 -5.166 0.873 -8.828 193 HB2 HIS 5 HB2 HIS 5 -7.775 -0.624 -9.249 194 HB3 HIS 5 HB3 HIS 5 -6.620 -0.960 -7.971 195 HD1 HIS 5 HD1 HIS 5 -9.484 1.369 -8.725 196 HD2 HIS 5 HD2 HIS 5 -6.253 0.986 -6.054 197 HE1 HIS 5 HE1 HIS 5 -9.967 2.956 -6.786 198 H LEU 6 H LEU 6 -3.892 -0.893 -8.582 199 HA LEU 6 HA LEU 6 -4.024 -3.255 -10.318 200 HB2 LEU 6 HB2 LEU 6 -1.477 -1.600 -10.079 201 HB3 LEU 6 HB3 LEU 6 -1.568 -3.212 -10.750 202 HG LEU 6 HG LEU 6 -3.000 -0.826 -11.974 203 HD11 LEU 6 HD11 LEU 6 -1.128 -0.847 -13.611 204 HD12 LEU 6 HD12 LEU 6 -0.285 -2.012 -12.554 205 HD13 LEU 6 HD13 LEU 6 -0.649 -0.374 -11.968 206 HD21 LEU 6 HD21 LEU 6 -2.246 -3.534 -13.153 207 HD22 LEU 6 HD22 LEU 6 -3.084 -2.214 -13.989 208 HD23 LEU 6 HD23 LEU 6 -3.895 -3.059 -12.662 209 H CYS 7 H CYS 7 -3.999 -4.910 -8.831 210 HA CYS 7 HA CYS 7 -2.194 -4.728 -6.468 211 HB2 CYS 7 HB2 CYS 7 -4.553 -3.927 -5.954 212 HB3 CYS 7 HB3 CYS 7 -5.100 -5.581 -6.250 213 H GLY 8 H GLY 8 -1.449 -6.751 -5.725 214 HA2 GLY 8 HA2 GLY 8 -0.775 -8.954 -5.913 215 HA3 GLY 8 HA3 GLY 8 -2.350 -9.314 -6.625 216 H SER 9 H SER 9 -1.904 -10.495 -8.438 217 HA SER 9 HA SER 9 0.457 -10.397 -9.986 218 HB2 SER 9 HB2 SER 9 -0.817 -11.746 -11.606 219 HB3 SER 9 HB3 SER 9 -1.011 -12.322 -9.948 220 HG SER 9 HG SER 9 -3.015 -12.219 -11.086 221 H HIS 10 H HIS 10 -2.478 -8.422 -10.355 222 HA HIS 10 HA HIS 10 -2.040 -7.392 -12.970 223 HB2 HIS 10 HB2 HIS 10 -3.300 -6.233 -10.459 224 HB3 HIS 10 HB3 HIS 10 -3.213 -5.333 -11.958 225 HD1 HIS 10 HD1 HIS 10 -4.596 -6.325 -14.084 226 HD2 HIS 10 HD2 HIS 10 -5.320 -7.963 -10.272 227 HE1 HIS 10 HE1 HIS 10 -6.846 -7.496 -14.231 228 H LEU 11 H LEU 11 -0.577 -6.411 -9.860 229 HA LEU 11 HA LEU 11 0.720 -4.031 -10.928 230 HB2 LEU 11 HB2 LEU 11 0.101 -4.364 -8.535 231 HB3 LEU 11 HB3 LEU 11 1.244 -5.695 -8.431 232 HG LEU 11 HG LEU 11 2.755 -3.497 -9.496 233 HD11 LEU 11 HD11 LEU 11 1.014 -2.668 -7.152 234 HD12 LEU 11 HD12 LEU 11 0.945 -2.034 -8.817 235 HD13 LEU 11 HD13 LEU 11 2.389 -1.762 -7.826 236 HD21 LEU 11 HD21 LEU 11 2.640 -4.609 -6.671 237 HD22 LEU 11 HD22 LEU 11 3.953 -3.636 -7.371 238 HD23 LEU 11 HD23 LEU 11 3.617 -5.246 -8.014 239 H VAL 12 H VAL 12 1.799 -7.384 -10.192 240 HA VAL 12 HA VAL 12 4.482 -7.033 -11.115 241 HB VAL 12 HB VAL 12 3.046 -9.688 -11.241 242 HG11 VAL 12 HG11 VAL 12 5.387 -9.588 -12.071 243 HG12 VAL 12 HG12 VAL 12 5.901 -8.914 -10.506 244 HG13 VAL 12 HG13 VAL 12 5.251 -10.564 -10.603 245 HG21 VAL 12 HG21 VAL 12 4.103 -8.320 -8.737 246 HG22 VAL 12 HG22 VAL 12 2.439 -8.866 -9.046 247 HG23 VAL 12 HG23 VAL 12 3.731 -10.051 -8.867 248 H GLU 13 H GLU 13 1.550 -7.995 -12.879 249 HA GLU 13 HA GLU 13 2.794 -8.449 -15.417 250 HB2 GLU 13 HB2 GLU 13 0.502 -9.170 -14.826 251 HB3 GLU 13 HB3 GLU 13 0.007 -7.499 -14.660 252 HG2 GLU 13 HG2 GLU 13 -0.834 -8.303 -16.719 253 HG3 GLU 13 HG3 GLU 13 0.400 -7.109 -17.086 254 H ALA 14 H ALA 14 1.754 -5.410 -13.805 255 HA ALA 14 HA ALA 14 2.216 -3.780 -16.171 256 HB1 ALA 14 HB1 ALA 14 1.987 -2.973 -13.246 257 HB2 ALA 14 HB2 ALA 14 1.809 -1.926 -14.672 258 HB3 ALA 14 HB3 ALA 14 0.618 -3.203 -14.368 259 H LEU 15 H LEU 15 4.145 -4.495 -13.197 260 HA LEU 15 HA LEU 15 6.490 -3.005 -13.902 261 HB2 LEU 15 HB2 LEU 15 6.171 -5.614 -12.355 262 HB3 LEU 15 HB3 LEU 15 7.670 -4.705 -12.452 263 HG LEU 15 HG LEU 15 5.127 -3.486 -11.393 264 HD11 LEU 15 HD11 LEU 15 5.955 -3.905 -9.138 265 HD12 LEU 15 HD12 LEU 15 7.361 -4.781 -9.788 266 HD13 LEU 15 HD13 LEU 15 5.719 -5.434 -9.993 267 HD21 LEU 15 HD21 LEU 15 8.060 -2.746 -11.027 268 HD22 LEU 15 HD22 LEU 15 6.678 -1.911 -10.288 269 HD23 LEU 15 HD23 LEU 15 6.896 -1.876 -12.044 270 H TYR 16 H TYR 16 5.569 -6.347 -14.661 271 HA TYR 16 HA TYR 16 7.772 -7.054 -16.251 272 HB2 TYR 16 HB2 TYR 16 6.358 -8.764 -15.547 273 HB3 TYR 16 HB3 TYR 16 4.934 -7.975 -16.201 274 HD1 TYR 16 HD1 TYR 16 8.011 -9.808 -17.170 275 HD2 TYR 16 HD2 TYR 16 4.152 -8.332 -18.405 276 HE1 TYR 16 HE1 TYR 16 8.209 -11.102 -19.291 277 HE2 TYR 16 HE2 TYR 16 4.332 -9.645 -20.524 278 HH TYR 16 HH TYR 16 7.191 -11.679 -21.271 279 H LEU 17 H LEU 17 5.004 -5.155 -17.276 280 HA LEU 17 HA LEU 17 5.779 -5.162 -20.103 281 HB2 LEU 17 HB2 LEU 17 3.430 -5.126 -19.389 282 HB3 LEU 17 HB3 LEU 17 3.695 -3.656 -18.470 283 HG LEU 17 HG LEU 17 4.165 -2.399 -20.564 284 HD11 LEU 17 HD11 LEU 17 4.937 -4.229 -22.032 285 HD12 LEU 17 HD12 LEU 17 3.537 -3.420 -22.738 286 HD13 LEU 17 HD13 LEU 17 3.336 -4.998 -21.935 287 HD21 LEU 17 HD21 LEU 17 1.906 -2.450 -19.582 288 HD22 LEU 17 HD22 LEU 17 1.515 -3.895 -20.549 289 HD23 LEU 17 HD23 LEU 17 1.845 -2.344 -21.350 290 H VAL 18 H VAL 18 5.966 -2.954 -17.337 291 HA VAL 18 HA VAL 18 7.008 -0.658 -18.746 292 HB VAL 18 HB VAL 18 6.726 -1.513 -15.839 293 HG11 VAL 18 HG11 VAL 18 8.682 -0.103 -15.770 294 HG12 VAL 18 HG12 VAL 18 7.898 1.092 -16.841 295 HG13 VAL 18 HG13 VAL 18 7.293 0.808 -15.190 296 HG21 VAL 18 HG21 VAL 18 4.701 -0.812 -17.144 297 HG22 VAL 18 HG22 VAL 18 5.061 0.298 -15.812 298 HG23 VAL 18 HG23 VAL 18 5.486 0.740 -17.478 299 H CYS 19 H CYS 19 8.608 -3.051 -16.552 300 HA CYS 19 HA CYS 19 11.247 -1.901 -17.101 301 HB2 CYS 19 HB2 CYS 19 10.423 -4.345 -15.513 302 HB3 CYS 19 HB3 CYS 19 11.987 -3.550 -15.457 303 H GLY 20 H GLY 20 9.378 -4.652 -18.288 304 HA2 GLY 20 HA2 GLY 20 9.750 -6.015 -20.110 305 HA3 GLY 20 HA3 GLY 20 11.284 -5.194 -20.402 306 H GLU 21 H GLU 21 12.958 -5.744 -18.547 307 HA GLU 21 HA GLU 21 12.993 -8.681 -17.971 308 HB2 GLU 21 HB2 GLU 21 15.090 -8.968 -19.129 309 HB3 GLU 21 HB3 GLU 21 13.871 -8.332 -20.239 310 HG2 GLU 21 HG2 GLU 21 14.826 -6.052 -19.989 311 HG3 GLU 21 HG3 GLU 21 16.054 -6.683 -18.889 312 H ARG 22 H ARG 22 13.484 -5.735 -16.568 313 HA ARG 22 HA ARG 22 16.036 -6.204 -15.244 314 HB2 ARG 22 HB2 ARG 22 13.886 -4.201 -14.492 315 HB3 ARG 22 HB3 ARG 22 15.579 -4.162 -14.013 316 HG2 ARG 22 HG2 ARG 22 14.492 -3.748 -16.823 317 HG3 ARG 22 HG3 ARG 22 15.158 -2.521 -15.768 318 HD2 ARG 22 HD2 ARG 22 16.692 -4.867 -16.945 319 HD3 ARG 22 HD3 ARG 22 16.711 -3.214 -17.561 320 HE ARG 22 HE ARG 22 17.534 -2.665 -15.111 321 HH11 ARG 22 HH11 ARG 22 18.646 -5.306 -17.126 322 HH12 ARG 22 HH12 ARG 22 20.212 -5.353 -16.365 323 HH21 ARG 22 HH21 ARG 22 19.569 -2.740 -14.222 324 HH22 ARG 22 HH22 ARG 22 20.718 -3.914 -14.781 325 H GLY 23 H GLY 23 13.002 -7.513 -14.545 326 HA2 GLY 23 HA2 GLY 23 12.622 -9.255 -13.074 327 HA3 GLY 23 HA3 GLY 23 14.155 -8.914 -12.273 328 H PHE 24 H PHE 24 13.445 -6.148 -11.566 329 HA PHE 24 HA PHE 24 12.609 -4.948 -9.942 330 HB2 PHE 24 HB2 PHE 24 9.992 -4.892 -9.863 331 HB3 PHE 24 HB3 PHE 24 10.941 -4.242 -11.164 332 HD1 PHE 24 HD1 PHE 24 8.850 -7.157 -10.172 333 HD2 PHE 24 HD2 PHE 24 10.850 -5.050 -13.335 334 HE1 PHE 24 HE1 PHE 24 7.768 -8.661 -11.848 335 HE2 PHE 24 HE2 PHE 24 9.795 -6.579 -15.023 336 HZ PHE 24 HZ PHE 24 8.272 -8.391 -14.260 337 H PHE 25 H PHE 25 11.544 -4.361 -8.061 338 HA PHE 25 HA PHE 25 10.569 -6.508 -6.357 339 HB2 PHE 25 HB2 PHE 25 12.767 -6.852 -5.720 340 HB3 PHE 25 HB3 PHE 25 13.110 -5.136 -5.615 341 HD1 PHE 25 HD1 PHE 25 11.046 -7.835 -4.019 342 HD2 PHE 25 HD2 PHE 25 12.946 -3.989 -3.535 343 HE1 PHE 25 HE1 PHE 25 10.558 -7.897 -1.586 344 HE2 PHE 25 HE2 PHE 25 12.460 -4.065 -1.101 345 HZ PHE 25 HZ PHE 25 11.280 -6.021 -0.118 346 H TYR 26 H TYR 26 8.652 -5.881 -5.826 347 HA TYR 26 HA TYR 26 7.985 -3.128 -5.880 348 HB2 TYR 26 HB2 TYR 26 5.622 -3.933 -5.564 349 HB3 TYR 26 HB3 TYR 26 6.533 -4.262 -7.002 350 HD1 TYR 26 HD1 TYR 26 7.000 -6.473 -7.781 351 HD2 TYR 26 HD2 TYR 26 5.308 -5.849 -3.861 352 HE1 TYR 26 HE1 TYR 26 6.573 -8.911 -7.576 353 HE2 TYR 26 HE2 TYR 26 4.862 -8.287 -3.671 354 HH TYR 26 HH TYR 26 5.716 -10.597 -6.276 355 H THR 27 H THR 27 9.485 -4.124 -3.408 356 HA THR 27 HA THR 27 9.519 -3.882 -1.239 357 HB THR 27 HB THR 27 9.869 -1.853 -0.485 358 HG1 THR 27 HG1 THR 27 8.952 0.026 -1.247 359 HG21 THR 27 HG21 THR 27 11.230 -2.239 -2.500 360 HG22 THR 27 HG22 THR 27 10.897 -0.520 -2.244 361 HG23 THR 27 HG23 THR 27 10.020 -1.415 -3.493 362 HA PRO 28 HA PRO 28 5.224 -4.691 0.306 363 HB2 PRO 28 HB2 PRO 28 5.225 -7.396 0.390 364 HB3 PRO 28 HB3 PRO 28 4.857 -6.541 -1.132 365 HG2 PRO 28 HG2 PRO 28 7.528 -7.692 -0.243 366 HG3 PRO 28 HG3 PRO 28 6.672 -7.966 -1.795 367 HD2 PRO 28 HD2 PRO 28 8.623 -6.066 -1.497 368 HD3 PRO 28 HD3 PRO 28 7.227 -5.844 -2.583 369 H LYS 29 H LYS 29 4.846 -5.893 2.379 370 HA LYS 29 HA LYS 29 7.042 -5.643 4.299 371 HB2 LYS 29 HB2 LYS 29 4.667 -5.058 4.811 372 HB3 LYS 29 HB3 LYS 29 4.223 -6.742 4.657 373 HG2 LYS 29 HG2 LYS 29 4.437 -6.113 7.000 374 HG3 LYS 29 HG3 LYS 29 5.610 -7.342 6.595 375 HD2 LYS 29 HD2 LYS 29 6.591 -5.659 8.067 376 HD3 LYS 29 HD3 LYS 29 7.416 -5.682 6.522 377 HE2 LYS 29 HE2 LYS 29 7.145 -3.390 7.210 378 HE3 LYS 29 HE3 LYS 29 6.119 -3.665 5.801 379 HZ1 LYS 29 HZ1 LYS 29 4.209 -3.859 7.318 380 HZ2 LYS 29 HZ2 LYS 29 4.959 -2.429 7.552 381 HZ3 LYS 29 HZ3 LYS 29 5.175 -3.640 8.623 382 H THR 30 H THR 30 8.372 -7.069 2.936 383 HA THR 30 HA THR 30 7.846 -9.848 2.695 384 HB THR 30 HB THR 30 9.304 -8.354 1.256 385 HG1 THR 30 HG1 THR 30 10.501 -10.139 0.618 386 HG21 THR 30 HG21 THR 30 10.887 -7.615 3.067 387 HG22 THR 30 HG22 THR 30 11.687 -8.346 1.669 388 HG23 THR 30 HG23 THR 30 11.501 -9.279 3.167 389 H LYS 31 H LYS 31 9.168 -8.239 5.406 390 HA LYS 31 HA LYS 31 9.471 -10.767 6.884 391 HB2 LYS 31 HB2 LYS 31 11.726 -10.254 7.666 392 HB3 LYS 31 HB3 LYS 31 11.703 -10.462 5.912 393 HG2 LYS 31 HG2 LYS 31 11.753 -8.010 5.597 394 HG3 LYS 31 HG3 LYS 31 11.769 -7.763 7.348 395 HD2 LYS 31 HD2 LYS 31 13.927 -9.227 5.754 396 HD3 LYS 31 HD3 LYS 31 14.003 -7.539 6.282 397 HE2 LYS 31 HE2 LYS 31 13.806 -8.290 8.661 398 HE3 LYS 31 HE3 LYS 31 13.807 -9.974 8.122 399 HZ1 LYS 31 HZ1 LYS 31 16.029 -8.039 7.724 400 HZ2 LYS 31 HZ2 LYS 31 16.032 -9.587 7.179 401 HZ3 LYS 31 HZ3 LYS 31 16.031 -9.283 8.781 402 H ARG 32 H ARG 32 9.801 -10.406 9.185 403 HA ARG 32 HA ARG 32 8.128 -8.290 10.322 404 HB2 ARG 32 HB2 ARG 32 9.928 -10.349 11.667 405 HB3 ARG 32 HB3 ARG 32 8.775 -9.302 12.491 406 HG2 ARG 32 HG2 ARG 32 8.064 -11.482 10.476 407 HG3 ARG 32 HG3 ARG 32 7.918 -11.591 12.225 408 HD2 ARG 32 HD2 ARG 32 6.288 -9.710 12.209 409 HD3 ARG 32 HD3 ARG 32 6.372 -9.646 10.450 410 HE ARG 32 HE ARG 32 5.054 -11.677 12.135 411 HH11 ARG 32 HH11 ARG 32 5.947 -10.842 8.849 412 HH12 ARG 32 HH12 ARG 32 4.797 -11.958 8.164 413 HH21 ARG 32 HH21 ARG 32 3.623 -13.085 11.185 414 HH22 ARG 32 HH22 ARG 32 3.532 -13.190 9.452 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 7.741 0.397 2.040 2 H2 GLY 1 H2 GLY 1 6.213 0.887 1.748 3 H3 GLY 1 H3 GLY 1 7.470 1.723 1.096 4 HA2 GLY 1 HA2 GLY 1 8.032 -0.036 -0.379 5 HA3 GLY 1 HA3 GLY 1 6.868 -1.085 0.449 6 H ILE 2 H ILE 2 7.163 0.387 -2.437 7 HA ILE 2 HA ILE 2 4.832 2.088 -2.486 8 HB ILE 2 HB ILE 2 6.701 2.624 -3.826 9 HG12 ILE 2 HG12 ILE 2 4.732 1.819 -5.977 10 HG13 ILE 2 HG13 ILE 2 4.202 2.915 -4.702 11 HG21 ILE 2 HG21 ILE 2 6.380 -0.129 -5.005 12 HG22 ILE 2 HG22 ILE 2 7.102 1.148 -5.992 13 HG23 ILE 2 HG23 ILE 2 7.845 0.688 -4.450 14 HD11 ILE 2 HD11 ILE 2 5.022 4.186 -6.597 15 HD12 ILE 2 HD12 ILE 2 6.005 4.474 -5.155 16 HD13 ILE 2 HD13 ILE 2 6.617 3.423 -6.450 17 H VAL 3 H VAL 3 5.164 -1.332 -2.855 18 HA VAL 3 HA VAL 3 2.787 -1.868 -4.288 19 HB VAL 3 HB VAL 3 4.701 -3.436 -3.628 20 HG11 VAL 3 HG11 VAL 3 4.470 -3.165 -1.153 21 HG12 VAL 3 HG12 VAL 3 2.900 -3.990 -1.238 22 HG13 VAL 3 HG13 VAL 3 4.382 -4.849 -1.695 23 HG21 VAL 3 HG21 VAL 3 2.748 -4.145 -4.961 24 HG22 VAL 3 HG22 VAL 3 3.305 -5.417 -3.865 25 HG23 VAL 3 HG23 VAL 3 1.855 -4.480 -3.461 26 H GLU 4 H GLU 4 3.035 -0.614 -1.089 27 HA GLU 4 HA GLU 4 0.271 -1.285 -0.374 28 HB2 GLU 4 HB2 GLU 4 1.960 -0.845 1.373 29 HB3 GLU 4 HB3 GLU 4 2.193 0.776 0.743 30 HG2 GLU 4 HG2 GLU 4 0.845 0.988 2.663 31 HG3 GLU 4 HG3 GLU 4 -0.204 1.311 1.299 32 H GLN 5 H GLN 5 1.811 1.884 -1.273 33 HA GLN 5 HA GLN 5 -0.751 3.120 -1.589 34 HB2 GLN 5 HB2 GLN 5 0.467 5.031 -2.478 35 HB3 GLN 5 HB3 GLN 5 1.185 4.434 -0.987 36 HG2 GLN 5 HG2 GLN 5 3.171 3.923 -1.979 37 HG3 GLN 5 HG3 GLN 5 2.412 3.288 -3.432 38 HE21 GLN 5 HE21 GLN 5 3.045 6.484 -1.838 39 HE22 GLN 5 HE22 GLN 5 3.198 7.324 -3.381 40 H CYS 6 H CYS 6 1.233 1.391 -3.964 41 HA CYS 6 HA CYS 6 -0.200 2.350 -6.286 42 HB2 CYS 6 HB2 CYS 6 2.116 1.409 -6.247 43 HB3 CYS 6 HB3 CYS 6 1.454 -0.161 -5.836 44 H CYS 7 H CYS 7 -0.823 -0.162 -3.899 45 HA CYS 7 HA CYS 7 -3.019 -1.368 -5.469 46 HB2 CYS 7 HB2 CYS 7 -1.610 -2.881 -4.254 47 HB3 CYS 7 HB3 CYS 7 -1.805 -1.969 -2.758 48 H THR 8 H THR 8 -2.772 -0.144 -2.163 49 HA THR 8 HA THR 8 -5.569 0.311 -1.902 50 HB THR 8 HB THR 8 -5.303 0.894 0.273 51 HG1 THR 8 HG1 THR 8 -3.436 1.745 1.135 52 HG21 THR 8 HG21 THR 8 -4.373 -1.409 -0.191 53 HG22 THR 8 HG22 THR 8 -3.765 -0.642 1.285 54 HG23 THR 8 HG23 THR 8 -2.740 -0.708 -0.154 55 H SER 9 H SER 9 -3.473 2.339 -3.509 56 HA SER 9 HA SER 9 -5.610 4.348 -3.738 57 HB2 SER 9 HB2 SER 9 -4.006 5.215 -2.009 58 HB3 SER 9 HB3 SER 9 -2.728 5.194 -3.234 59 HG SER 9 HG SER 9 -3.810 7.247 -3.011 60 H ILE 10 H ILE 10 -4.685 5.975 -5.596 61 HA ILE 10 HA ILE 10 -4.620 4.240 -7.917 62 HB ILE 10 HB ILE 10 -4.310 7.264 -7.992 63 HG12 ILE 10 HG12 ILE 10 -6.779 5.502 -7.675 64 HG13 ILE 10 HG13 ILE 10 -6.309 6.893 -6.690 65 HG21 ILE 10 HG21 ILE 10 -5.490 5.303 -9.986 66 HG22 ILE 10 HG22 ILE 10 -5.193 7.034 -10.231 67 HG23 ILE 10 HG23 ILE 10 -3.830 5.951 -10.073 68 HD11 ILE 10 HD11 ILE 10 -6.748 8.368 -8.685 69 HD12 ILE 10 HD12 ILE 10 -7.384 6.941 -9.533 70 HD13 ILE 10 HD13 ILE 10 -8.180 7.519 -8.062 71 H CYS 11 H CYS 11 -3.058 3.729 -9.292 72 HA CYS 11 HA CYS 11 -0.257 4.597 -8.781 73 HB2 CYS 11 HB2 CYS 11 -1.107 2.219 -8.258 74 HB3 CYS 11 HB3 CYS 11 -1.135 1.968 -9.987 75 H SER 12 H SER 12 1.130 4.515 -10.715 76 HA SER 12 HA SER 12 -0.103 4.976 -13.353 77 HB2 SER 12 HB2 SER 12 0.833 7.204 -13.560 78 HB3 SER 12 HB3 SER 12 -0.220 7.177 -12.143 79 HG SER 12 HG SER 12 1.480 7.268 -10.830 80 H LEU 13 H LEU 13 1.629 5.400 -15.019 81 HA LEU 13 HA LEU 13 3.717 3.490 -14.975 82 HB2 LEU 13 HB2 LEU 13 3.683 6.088 -16.546 83 HB3 LEU 13 HB3 LEU 13 4.574 4.630 -16.947 84 HG LEU 13 HG LEU 13 1.539 4.916 -16.984 85 HD11 LEU 13 HD11 LEU 13 3.567 4.740 -19.246 86 HD12 LEU 13 HD12 LEU 13 2.660 6.196 -18.759 87 HD13 LEU 13 HD13 LEU 13 1.796 4.802 -19.421 88 HD21 LEU 13 HD21 LEU 13 1.526 2.746 -18.132 89 HD22 LEU 13 HD22 LEU 13 2.220 2.567 -16.515 90 HD23 LEU 13 HD23 LEU 13 3.284 2.607 -17.946 91 H TYR 14 H TYR 14 3.814 6.933 -14.037 92 HA TYR 14 HA TYR 14 6.605 7.032 -13.450 93 HB2 TYR 14 HB2 TYR 14 4.277 8.746 -12.589 94 HB3 TYR 14 HB3 TYR 14 5.922 9.047 -12.063 95 HD1 TYR 14 HD1 TYR 14 7.770 9.418 -13.806 96 HD2 TYR 14 HD2 TYR 14 3.555 9.515 -14.759 97 HE1 TYR 14 HE1 TYR 14 8.270 10.669 -15.894 98 HE2 TYR 14 HE2 TYR 14 4.062 10.775 -16.844 99 HH TYR 14 HH TYR 14 7.420 11.677 -17.763 100 H GLN 15 H GLN 15 3.940 5.947 -11.440 101 HA GLN 15 HA GLN 15 5.550 5.673 -9.008 102 HB2 GLN 15 HB2 GLN 15 2.784 4.786 -9.819 103 HB3 GLN 15 HB3 GLN 15 3.509 4.328 -8.279 104 HG2 GLN 15 HG2 GLN 15 3.681 6.593 -7.535 105 HG3 GLN 15 HG3 GLN 15 3.405 7.241 -9.155 106 HE21 GLN 15 HE21 GLN 15 1.798 5.694 -6.376 107 HE22 GLN 15 HE22 GLN 15 0.157 6.018 -6.976 108 H LEU 16 H LEU 16 4.464 3.508 -11.623 109 HA LEU 16 HA LEU 16 5.511 1.082 -10.503 110 HB2 LEU 16 HB2 LEU 16 4.755 1.915 -13.339 111 HB3 LEU 16 HB3 LEU 16 5.107 0.253 -12.896 112 HG LEU 16 HG LEU 16 2.855 1.823 -11.567 113 HD11 LEU 16 HD11 LEU 16 2.451 1.785 -13.988 114 HD12 LEU 16 HD12 LEU 16 1.343 0.688 -13.153 115 HD13 LEU 16 HD13 LEU 16 2.750 0.033 -14.023 116 HD21 LEU 16 HD21 LEU 16 3.636 -0.285 -10.435 117 HD22 LEU 16 HD22 LEU 16 3.229 -1.169 -11.922 118 HD23 LEU 16 HD23 LEU 16 1.966 -0.343 -11.007 119 H GLU 17 H GLU 17 7.044 3.510 -12.628 120 HA GLU 17 HA GLU 17 9.305 1.957 -13.414 121 HB2 GLU 17 HB2 GLU 17 8.803 4.924 -13.063 122 HB3 GLU 17 HB3 GLU 17 10.421 4.332 -13.473 123 HG2 GLU 17 HG2 GLU 17 9.585 3.180 -15.449 124 HG3 GLU 17 HG3 GLU 17 7.939 3.683 -15.097 125 H ASN 18 H ASN 18 8.564 3.094 -10.244 126 HA ASN 18 HA ASN 18 11.255 3.257 -9.194 127 HB2 ASN 18 HB2 ASN 18 8.521 2.856 -7.911 128 HB3 ASN 18 HB3 ASN 18 10.005 3.075 -6.985 129 HD21 ASN 18 HD21 ASN 18 7.458 4.693 -8.443 130 HD22 ASN 18 HD22 ASN 18 8.154 6.319 -8.419 131 H TYR 19 H TYR 19 9.291 0.474 -9.990 132 HA TYR 19 HA TYR 19 10.459 -1.274 -7.957 133 HB2 TYR 19 HB2 TYR 19 8.646 -1.763 -10.305 134 HB3 TYR 19 HB3 TYR 19 9.177 -3.008 -9.197 135 HD1 TYR 19 HD1 TYR 19 7.139 0.109 -9.397 136 HD2 TYR 19 HD2 TYR 19 8.180 -3.342 -7.069 137 HE1 TYR 19 HE1 TYR 19 4.987 0.307 -8.167 138 HE2 TYR 19 HE2 TYR 19 6.089 -3.079 -5.728 139 HH TYR 19 HH TYR 19 3.965 -2.161 -5.824 140 H CYS 20 H CYS 20 11.086 -0.632 -11.350 141 HA CYS 20 HA CYS 20 12.570 -2.869 -12.114 142 HB2 CYS 20 HB2 CYS 20 13.278 -0.065 -12.969 143 HB3 CYS 20 HB3 CYS 20 13.325 -1.532 -13.919 144 H LYS 21 H LYS 21 14.597 -3.640 -11.569 145 HA LYS 21 HA LYS 21 16.547 -1.886 -10.157 146 HB2 LYS 21 HB2 LYS 21 14.953 -2.766 -8.499 147 HB3 LYS 21 HB3 LYS 21 15.346 -4.421 -8.970 148 HG2 LYS 21 HG2 LYS 21 17.705 -4.070 -8.271 149 HG3 LYS 21 HG3 LYS 21 17.336 -2.399 -7.837 150 HD2 LYS 21 HD2 LYS 21 16.140 -4.907 -6.576 151 HD3 LYS 21 HD3 LYS 21 17.415 -3.918 -5.870 152 HE2 LYS 21 HE2 LYS 21 14.550 -3.002 -6.408 153 HE3 LYS 21 HE3 LYS 21 15.195 -3.523 -4.849 154 HZ1 LYS 21 HZ1 LYS 21 15.233 -1.114 -5.005 155 HZ2 LYS 21 HZ2 LYS 21 16.134 -1.143 -6.361 156 HZ3 LYS 21 HZ3 LYS 21 16.768 -1.658 -4.941 157 H1 PHE 1 H1 PHE 1 -2.803 6.096 -22.283 158 H2 PHE 1 H2 PHE 1 -4.021 5.006 -22.369 159 H3 PHE 1 H3 PHE 1 -2.482 4.542 -22.682 160 HA PHE 1 HA PHE 1 -3.189 3.781 -20.555 161 HB2 PHE 1 HB2 PHE 1 -0.904 5.730 -20.579 162 HB3 PHE 1 HB3 PHE 1 -1.345 4.840 -19.137 163 HD1 PHE 1 HD1 PHE 1 0.440 4.652 -22.271 164 HD2 PHE 1 HD2 PHE 1 -1.434 2.285 -19.180 165 HE1 PHE 1 HE1 PHE 1 1.745 2.667 -22.989 166 HE2 PHE 1 HE2 PHE 1 -0.123 0.303 -19.906 167 HZ PHE 1 HZ PHE 1 1.458 0.491 -21.816 168 H VAL 2 H VAL 2 -3.897 4.019 -18.445 169 HA VAL 2 HA VAL 2 -4.823 6.694 -17.597 170 HB VAL 2 HB VAL 2 -6.946 6.007 -16.867 171 HG11 VAL 2 HG11 VAL 2 -6.688 4.881 -19.683 172 HG12 VAL 2 HG12 VAL 2 -8.144 5.530 -18.903 173 HG13 VAL 2 HG13 VAL 2 -6.797 6.616 -19.272 174 HG21 VAL 2 HG21 VAL 2 -7.908 3.761 -17.260 175 HG22 VAL 2 HG22 VAL 2 -6.328 3.175 -17.809 176 HG23 VAL 2 HG23 VAL 2 -6.563 3.708 -16.124 177 H ASN 3 H ASN 3 -4.962 7.024 -15.352 178 HA ASN 3 HA ASN 3 -3.199 5.306 -13.741 179 HB2 ASN 3 HB2 ASN 3 -4.747 7.816 -13.001 180 HB3 ASN 3 HB3 ASN 3 -3.535 7.029 -12.001 181 HD21 ASN 3 HD21 ASN 3 -3.415 9.757 -12.852 182 HD22 ASN 3 HD22 ASN 3 -1.965 9.883 -13.835 183 H GLN 4 H GLN 4 -3.825 3.871 -12.173 184 HA GLN 4 HA GLN 4 -6.598 3.543 -11.312 185 HB2 GLN 4 HB2 GLN 4 -6.889 1.369 -12.280 186 HB3 GLN 4 HB3 GLN 4 -6.561 2.543 -13.553 187 HG2 GLN 4 HG2 GLN 4 -4.450 1.642 -14.053 188 HG3 GLN 4 HG3 GLN 4 -4.272 0.871 -12.487 189 HE21 GLN 4 HE21 GLN 4 -5.696 -1.047 -11.980 190 HE22 GLN 4 HE22 GLN 4 -6.298 -1.994 -13.334 191 H HIS 5 H HIS 5 -6.842 1.705 -9.787 192 HA HIS 5 HA HIS 5 -4.598 1.337 -7.962 193 HB2 HIS 5 HB2 HIS 5 -7.261 -0.131 -8.141 194 HB3 HIS 5 HB3 HIS 5 -6.145 -0.159 -6.788 195 HD1 HIS 5 HD1 HIS 5 -8.796 2.115 -8.385 196 HD2 HIS 5 HD2 HIS 5 -6.167 1.953 -5.112 197 HE1 HIS 5 HE1 HIS 5 -9.448 4.037 -6.856 198 H LEU 6 H LEU 6 -3.213 -0.405 -7.801 199 HA LEU 6 HA LEU 6 -3.558 -2.802 -9.541 200 HB2 LEU 6 HB2 LEU 6 -1.147 -0.958 -9.437 201 HB3 LEU 6 HB3 LEU 6 -1.069 -2.594 -10.072 202 HG LEU 6 HG LEU 6 -2.848 -0.419 -11.231 203 HD11 LEU 6 HD11 LEU 6 -0.122 -1.411 -12.112 204 HD12 LEU 6 HD12 LEU 6 -0.496 0.193 -11.459 205 HD13 LEU 6 HD13 LEU 6 -1.161 -0.295 -13.027 206 HD21 LEU 6 HD21 LEU 6 -3.614 -2.713 -11.779 207 HD22 LEU 6 HD22 LEU 6 -1.971 -3.130 -12.321 208 HD23 LEU 6 HD23 LEU 6 -2.926 -1.927 -13.206 209 H CYS 7 H CYS 7 -3.535 -4.488 -8.195 210 HA CYS 7 HA CYS 7 -1.319 -4.754 -6.226 211 HB2 CYS 7 HB2 CYS 7 -3.841 -6.114 -5.524 212 HB3 CYS 7 HB3 CYS 7 -2.640 -5.320 -4.501 213 H GLY 8 H GLY 8 -0.839 -7.060 -5.738 214 HA2 GLY 8 HA2 GLY 8 -0.431 -9.262 -6.314 215 HA3 GLY 8 HA3 GLY 8 -2.110 -9.269 -6.828 216 H SER 9 H SER 9 -2.091 -10.447 -8.684 217 HA SER 9 HA SER 9 0.026 -10.583 -10.581 218 HB2 SER 9 HB2 SER 9 -1.657 -11.695 -12.017 219 HB3 SER 9 HB3 SER 9 -1.607 -12.340 -10.365 220 HG SER 9 HG SER 9 -3.763 -11.988 -11.100 221 H HIS 10 H HIS 10 -2.775 -8.373 -10.453 222 HA HIS 10 HA HIS 10 -2.432 -7.216 -13.061 223 HB2 HIS 10 HB2 HIS 10 -3.901 -6.533 -10.551 224 HB3 HIS 10 HB3 HIS 10 -3.460 -5.166 -11.557 225 HD1 HIS 10 HD1 HIS 10 -4.321 -5.366 -14.241 226 HD2 HIS 10 HD2 HIS 10 -6.119 -7.732 -11.265 227 HE1 HIS 10 HE1 HIS 10 -6.575 -6.090 -15.180 228 H LEU 11 H LEU 11 -1.006 -6.364 -9.894 229 HA LEU 11 HA LEU 11 0.507 -4.107 -10.862 230 HB2 LEU 11 HB2 LEU 11 0.019 -4.374 -8.536 231 HB3 LEU 11 HB3 LEU 11 0.819 -5.925 -8.442 232 HG LEU 11 HG LEU 11 1.958 -3.982 -7.384 233 HD11 LEU 11 HD11 LEU 11 3.166 -6.075 -7.908 234 HD12 LEU 11 HD12 LEU 11 4.178 -4.627 -7.879 235 HD13 LEU 11 HD13 LEU 11 3.719 -5.341 -9.429 236 HD21 LEU 11 HD21 LEU 11 2.706 -3.144 -10.207 237 HD22 LEU 11 HD22 LEU 11 3.242 -2.411 -8.692 238 HD23 LEU 11 HD23 LEU 11 1.532 -2.318 -9.166 239 H VAL 12 H VAL 12 1.441 -7.577 -10.388 240 HA VAL 12 HA VAL 12 4.081 -7.209 -11.356 241 HB VAL 12 HB VAL 12 2.387 -9.744 -11.476 242 HG11 VAL 12 HG11 VAL 12 4.563 -10.946 -11.446 243 HG12 VAL 12 HG12 VAL 12 4.381 -9.993 -12.922 244 HG13 VAL 12 HG13 VAL 12 5.414 -9.395 -11.609 245 HG21 VAL 12 HG21 VAL 12 3.579 -10.332 -9.386 246 HG22 VAL 12 HG22 VAL 12 4.375 -8.740 -9.395 247 HG23 VAL 12 HG23 VAL 12 2.628 -8.863 -9.166 248 H GLU 13 H GLU 13 1.108 -8.014 -13.210 249 HA GLU 13 HA GLU 13 2.383 -8.263 -15.767 250 HB2 GLU 13 HB2 GLU 13 0.146 -9.077 -15.304 251 HB3 GLU 13 HB3 GLU 13 -0.445 -7.423 -15.029 252 HG2 GLU 13 HG2 GLU 13 -0.010 -6.835 -17.362 253 HG3 GLU 13 HG3 GLU 13 0.733 -8.415 -17.656 254 H ALA 14 H ALA 14 1.169 -5.364 -14.024 255 HA ALA 14 HA ALA 14 1.701 -3.522 -16.177 256 HB1 ALA 14 HB1 ALA 14 1.549 -3.008 -13.178 257 HB2 ALA 14 HB2 ALA 14 1.371 -1.814 -14.484 258 HB3 ALA 14 HB3 ALA 14 0.152 -3.083 -14.279 259 H LEU 15 H LEU 15 3.734 -4.576 -13.361 260 HA LEU 15 HA LEU 15 6.011 -2.932 -14.056 261 HB2 LEU 15 HB2 LEU 15 5.958 -5.631 -12.642 262 HB3 LEU 15 HB3 LEU 15 7.312 -4.503 -12.699 263 HG LEU 15 HG LEU 15 4.657 -4.089 -11.302 264 HD11 LEU 15 HD11 LEU 15 7.508 -4.310 -10.290 265 HD12 LEU 15 HD12 LEU 15 6.238 -5.551 -10.144 266 HD13 LEU 15 HD13 LEU 15 6.071 -4.000 -9.290 267 HD21 LEU 15 HD21 LEU 15 6.976 -2.151 -11.646 268 HD22 LEU 15 HD22 LEU 15 5.618 -1.950 -10.498 269 HD23 LEU 15 HD23 LEU 15 5.317 -1.952 -12.229 270 H TYR 16 H TYR 16 5.154 -6.256 -15.001 271 HA TYR 16 HA TYR 16 7.364 -6.758 -16.673 272 HB2 TYR 16 HB2 TYR 16 6.039 -8.558 -16.034 273 HB3 TYR 16 HB3 TYR 16 4.562 -7.771 -16.558 274 HD1 TYR 16 HD1 TYR 16 3.581 -8.247 -18.605 275 HD2 TYR 16 HD2 TYR 16 7.724 -9.244 -17.920 276 HE1 TYR 16 HE1 TYR 16 3.666 -9.436 -20.805 277 HE2 TYR 16 HE2 TYR 16 7.811 -10.418 -20.117 278 HH TYR 16 HH TYR 16 6.650 -11.028 -21.996 279 H LEU 17 H LEU 17 4.678 -4.670 -17.344 280 HA LEU 17 HA LEU 17 5.351 -4.431 -20.206 281 HB2 LEU 17 HB2 LEU 17 3.024 -4.608 -19.425 282 HB3 LEU 17 HB3 LEU 17 3.229 -3.168 -18.437 283 HG LEU 17 HG LEU 17 3.590 -1.783 -20.479 284 HD11 LEU 17 HD11 LEU 17 2.983 -2.732 -22.695 285 HD12 LEU 17 HD12 LEU 17 2.892 -4.354 -21.967 286 HD13 LEU 17 HD13 LEU 17 4.444 -3.478 -22.047 287 HD21 LEU 17 HD21 LEU 17 1.248 -1.861 -21.243 288 HD22 LEU 17 HD22 LEU 17 1.352 -2.013 -19.483 289 HD23 LEU 17 HD23 LEU 17 1.042 -3.452 -20.480 290 H VAL 18 H VAL 18 5.504 -2.486 -17.223 291 HA VAL 18 HA VAL 18 6.509 -0.062 -18.460 292 HB VAL 18 HB VAL 18 6.220 -1.076 -15.612 293 HG11 VAL 18 HG11 VAL 18 7.384 1.602 -16.456 294 HG12 VAL 18 HG12 VAL 18 6.763 1.217 -14.833 295 HG13 VAL 18 HG13 VAL 18 8.157 0.349 -15.453 296 HG21 VAL 18 HG21 VAL 18 4.945 1.223 -17.155 297 HG22 VAL 18 HG22 VAL 18 4.179 -0.357 -16.864 298 HG23 VAL 18 HG23 VAL 18 4.538 0.715 -15.505 299 H CYS 19 H CYS 19 8.133 -2.576 -16.401 300 HA CYS 19 HA CYS 19 10.767 -1.387 -16.881 301 HB2 CYS 19 HB2 CYS 19 9.935 -3.995 -15.601 302 HB3 CYS 19 HB3 CYS 19 11.536 -3.286 -15.506 303 H GLY 20 H GLY 20 8.832 -3.903 -18.357 304 HA2 GLY 20 HA2 GLY 20 9.099 -5.100 -20.303 305 HA3 GLY 20 HA3 GLY 20 10.613 -4.256 -20.594 306 H GLU 21 H GLU 21 12.383 -4.970 -18.959 307 HA GLU 21 HA GLU 21 12.505 -7.919 -18.536 308 HB2 GLU 21 HB2 GLU 21 14.544 -8.076 -19.960 309 HB3 GLU 21 HB3 GLU 21 13.085 -7.679 -20.837 310 HG2 GLU 21 HG2 GLU 21 14.807 -6.372 -21.783 311 HG3 GLU 21 HG3 GLU 21 13.775 -5.269 -20.912 312 H ARG 22 H ARG 22 13.155 -4.955 -17.242 313 HA ARG 22 HA ARG 22 15.854 -5.155 -16.484 314 HB2 ARG 22 HB2 ARG 22 14.241 -3.127 -16.669 315 HB3 ARG 22 HB3 ARG 22 13.758 -3.514 -15.023 316 HG2 ARG 22 HG2 ARG 22 15.447 -1.695 -15.194 317 HG3 ARG 22 HG3 ARG 22 15.993 -3.033 -14.188 318 HD2 ARG 22 HD2 ARG 22 17.757 -2.094 -15.708 319 HD3 ARG 22 HD3 ARG 22 17.505 -3.819 -15.881 320 HE ARG 22 HE ARG 22 16.419 -3.507 -18.003 321 HH11 ARG 22 HH11 ARG 22 16.297 -2.658 -19.839 322 HH12 ARG 22 HH12 ARG 22 16.822 -1.004 -20.188 323 HH21 ARG 22 HH21 ARG 22 17.683 -0.415 -16.872 324 HH22 ARG 22 HH22 ARG 22 17.602 0.252 -18.480 325 H GLY 23 H GLY 23 13.313 -6.860 -14.978 326 HA2 GLY 23 HA2 GLY 23 13.591 -8.541 -13.372 327 HA3 GLY 23 HA3 GLY 23 15.236 -7.995 -13.067 328 H PHE 24 H PHE 24 12.164 -6.251 -12.789 329 HA PHE 24 HA PHE 24 12.548 -4.907 -10.416 330 HB2 PHE 24 HB2 PHE 24 9.960 -4.850 -10.345 331 HB3 PHE 24 HB3 PHE 24 10.822 -4.120 -11.685 332 HD1 PHE 24 HD1 PHE 24 8.631 -6.909 -10.698 333 HD2 PHE 24 HD2 PHE 24 10.820 -5.095 -13.908 334 HE1 PHE 24 HE1 PHE 24 7.444 -8.368 -12.313 335 HE2 PHE 24 HE2 PHE 24 9.631 -6.553 -15.553 336 HZ PHE 24 HZ PHE 24 7.963 -8.216 -14.739 337 H PHE 25 H PHE 25 11.664 -4.885 -8.355 338 HA PHE 25 HA PHE 25 10.688 -7.462 -7.316 339 HB2 PHE 25 HB2 PHE 25 12.832 -7.731 -6.607 340 HB3 PHE 25 HB3 PHE 25 13.029 -6.040 -6.179 341 HD1 PHE 25 HD1 PHE 25 12.397 -5.172 -4.015 342 HD2 PHE 25 HD2 PHE 25 11.431 -9.233 -5.115 343 HE1 PHE 25 HE1 PHE 25 11.837 -5.680 -1.654 344 HE2 PHE 25 HE2 PHE 25 10.847 -9.725 -2.749 345 HZ PHE 25 HZ PHE 25 11.063 -7.956 -1.016 346 H TYR 26 H TYR 26 8.872 -7.466 -6.313 347 HA TYR 26 HA TYR 26 7.717 -4.855 -5.633 348 HB2 TYR 26 HB2 TYR 26 5.484 -5.954 -6.118 349 HB3 TYR 26 HB3 TYR 26 6.583 -5.579 -7.428 350 HD1 TYR 26 HD1 TYR 26 7.785 -7.313 -8.679 351 HD2 TYR 26 HD2 TYR 26 4.990 -8.297 -5.558 352 HE1 TYR 26 HE1 TYR 26 7.761 -9.689 -9.452 353 HE2 TYR 26 HE2 TYR 26 4.953 -10.666 -6.326 354 HH TYR 26 HH TYR 26 5.786 -12.197 -7.826 355 H THR 27 H THR 27 9.038 -6.888 -3.666 356 HA THR 27 HA THR 27 8.691 -7.575 -1.579 357 HB THR 27 HB THR 27 9.194 -5.124 -1.603 358 HG1 THR 27 HG1 THR 27 9.291 -5.228 0.654 359 HG21 THR 27 HG21 THR 27 6.862 -4.214 -1.666 360 HG22 THR 27 HG22 THR 27 7.871 -3.621 -0.344 361 HG23 THR 27 HG23 THR 27 6.627 -4.833 -0.010 362 HA PRO 28 HA PRO 28 4.151 -8.666 -1.945 363 HB2 PRO 28 HB2 PRO 28 4.354 -11.353 -2.499 364 HB3 PRO 28 HB3 PRO 28 4.393 -10.075 -3.753 365 HG2 PRO 28 HG2 PRO 28 6.760 -11.452 -2.418 366 HG3 PRO 28 HG3 PRO 28 6.464 -11.209 -4.175 367 HD2 PRO 28 HD2 PRO 28 8.055 -9.524 -2.774 368 HD3 PRO 28 HD3 PRO 28 6.950 -8.910 -4.035 369 H LYS 29 H LYS 29 3.033 -9.294 -0.233 370 HA LYS 29 HA LYS 29 2.465 -9.678 1.892 371 HB2 LYS 29 HB2 LYS 29 2.782 -12.022 1.309 372 HB3 LYS 29 HB3 LYS 29 4.476 -11.944 1.756 373 HG2 LYS 29 HG2 LYS 29 3.253 -13.053 3.485 374 HG3 LYS 29 HG3 LYS 29 3.885 -11.537 4.119 375 HD2 LYS 29 HD2 LYS 29 1.635 -10.497 3.844 376 HD3 LYS 29 HD3 LYS 29 1.001 -12.005 3.182 377 HE2 LYS 29 HE2 LYS 29 2.185 -11.652 5.976 378 HE3 LYS 29 HE3 LYS 29 0.463 -11.581 5.602 379 HZ1 LYS 29 HZ1 LYS 29 2.185 -13.968 5.211 380 HZ2 LYS 29 HZ2 LYS 29 0.598 -13.888 4.818 381 HZ3 LYS 29 HZ3 LYS 29 1.059 -13.781 6.374 382 H THR 30 H THR 30 6.012 -9.752 1.806 383 HA THR 30 HA THR 30 6.308 -8.732 4.432 384 HB THR 30 HB THR 30 8.642 -8.642 2.595 385 HG1 THR 30 HG1 THR 30 8.874 -10.847 2.798 386 HG21 THR 30 HG21 THR 30 9.777 -9.575 4.561 387 HG22 THR 30 HG22 THR 30 8.231 -9.717 5.427 388 HG23 THR 30 HG23 THR 30 8.891 -8.119 5.026 389 H LYS 31 H LYS 31 4.680 -6.889 3.488 390 HA LYS 31 HA LYS 31 5.823 -4.467 2.514 391 HB2 LYS 31 HB2 LYS 31 3.397 -4.918 4.297 392 HB3 LYS 31 HB3 LYS 31 3.806 -3.385 3.521 393 HG2 LYS 31 HG2 LYS 31 3.579 -4.399 1.290 394 HG3 LYS 31 HG3 LYS 31 3.174 -5.966 2.018 395 HD2 LYS 31 HD2 LYS 31 1.201 -4.963 3.126 396 HD3 LYS 31 HD3 LYS 31 1.612 -3.375 2.451 397 HE2 LYS 31 HE2 LYS 31 1.324 -4.258 0.159 398 HE3 LYS 31 HE3 LYS 31 0.935 -5.859 0.817 399 HZ1 LYS 31 HZ1 LYS 31 -1.009 -4.892 1.888 400 HZ2 LYS 31 HZ2 LYS 31 -1.071 -4.532 0.291 401 HZ3 LYS 31 HZ3 LYS 31 -0.620 -3.386 1.385 402 H ARG 32 H ARG 32 6.759 -2.748 3.408 403 HA ARG 32 HA ARG 32 6.877 -2.228 6.286 404 HB2 ARG 32 HB2 ARG 32 8.742 -3.828 5.956 405 HB3 ARG 32 HB3 ARG 32 9.427 -2.783 4.701 406 HG2 ARG 32 HG2 ARG 32 9.834 -1.000 6.329 407 HG3 ARG 32 HG3 ARG 32 8.981 -1.914 7.588 408 HD2 ARG 32 HD2 ARG 32 10.699 -3.728 7.408 409 HD3 ARG 32 HD3 ARG 32 11.548 -2.778 6.187 410 HE ARG 32 HE ARG 32 12.352 -1.330 7.820 411 HH11 ARG 32 HH11 ARG 32 10.049 -3.471 9.377 412 HH12 ARG 32 HH12 ARG 32 10.545 -2.975 10.974 413 HH21 ARG 32 HH21 ARG 32 12.919 -0.748 9.874 414 HH22 ARG 32 HH22 ARG 32 12.117 -1.471 11.240 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 8.608 0.991 0.749 2 H2 GLY 1 H2 GLY 1 8.799 -0.395 1.599 3 H3 GLY 1 H3 GLY 1 7.380 0.418 1.676 4 HA2 GLY 1 HA2 GLY 1 8.462 -0.891 -0.742 5 HA3 GLY 1 HA3 GLY 1 7.154 -1.539 0.273 6 H ILE 2 H ILE 2 7.791 0.244 -2.513 7 HA ILE 2 HA ILE 2 5.742 2.261 -2.325 8 HB ILE 2 HB ILE 2 7.647 2.683 -3.650 9 HG12 ILE 2 HG12 ILE 2 5.529 2.227 -5.780 10 HG13 ILE 2 HG13 ILE 2 5.312 3.435 -4.502 11 HG21 ILE 2 HG21 ILE 2 8.549 0.616 -4.341 12 HG22 ILE 2 HG22 ILE 2 7.002 0.060 -4.995 13 HG23 ILE 2 HG23 ILE 2 7.950 1.270 -5.866 14 HD11 ILE 2 HD11 ILE 2 7.660 3.413 -6.433 15 HD12 ILE 2 HD12 ILE 2 6.250 4.467 -6.519 16 HD13 ILE 2 HD13 ILE 2 7.358 4.598 -5.143 17 H VAL 3 H VAL 3 5.521 -1.114 -3.083 18 HA VAL 3 HA VAL 3 3.110 -1.069 -4.587 19 HB VAL 3 HB VAL 3 4.592 -3.013 -4.320 20 HG11 VAL 3 HG11 VAL 3 5.028 -2.958 -1.908 21 HG12 VAL 3 HG12 VAL 3 3.318 -3.285 -1.576 22 HG13 VAL 3 HG13 VAL 3 4.326 -4.517 -2.373 23 HG21 VAL 3 HG21 VAL 3 2.890 -4.694 -4.396 24 HG22 VAL 3 HG22 VAL 3 1.750 -3.697 -3.477 25 HG23 VAL 3 HG23 VAL 3 2.218 -3.227 -5.121 26 H GLU 4 H GLU 4 3.582 -0.426 -1.203 27 HA GLU 4 HA GLU 4 0.876 -0.691 -0.292 28 HB2 GLU 4 HB2 GLU 4 2.988 -0.204 1.083 29 HB3 GLU 4 HB3 GLU 4 2.902 1.442 0.474 30 HG2 GLU 4 HG2 GLU 4 1.917 1.553 2.582 31 HG3 GLU 4 HG3 GLU 4 0.544 1.584 1.488 32 H GLN 5 H GLN 5 2.514 1.915 -2.122 33 HA GLN 5 HA GLN 5 0.244 3.732 -2.063 34 HB2 GLN 5 HB2 GLN 5 2.582 4.494 -2.212 35 HB3 GLN 5 HB3 GLN 5 2.759 3.700 -3.780 36 HG2 GLN 5 HG2 GLN 5 1.108 5.207 -4.789 37 HG3 GLN 5 HG3 GLN 5 0.773 5.930 -3.211 38 HE21 GLN 5 HE21 GLN 5 1.321 7.899 -4.734 39 HE22 GLN 5 HE22 GLN 5 3.012 8.371 -4.710 40 H CYS 6 H CYS 6 1.337 1.181 -4.325 41 HA CYS 6 HA CYS 6 -0.705 1.930 -6.316 42 HB2 CYS 6 HB2 CYS 6 1.305 -0.334 -6.114 43 HB3 CYS 6 HB3 CYS 6 0.093 -0.228 -7.385 44 H CYS 7 H CYS 7 -0.483 -0.491 -3.729 45 HA CYS 7 HA CYS 7 -2.948 -1.815 -4.598 46 HB2 CYS 7 HB2 CYS 7 -1.060 -3.020 -3.597 47 HB3 CYS 7 HB3 CYS 7 -1.234 -2.128 -2.105 48 H THR 8 H THR 8 -2.017 0.335 -1.872 49 HA THR 8 HA THR 8 -4.821 0.531 -1.004 50 HB THR 8 HB THR 8 -4.210 1.325 1.021 51 HG1 THR 8 HG1 THR 8 -1.644 1.917 0.012 52 HG21 THR 8 HG21 THR 8 -3.403 -1.013 0.722 53 HG22 THR 8 HG22 THR 8 -2.485 -0.087 1.925 54 HG23 THR 8 HG23 THR 8 -1.785 -0.395 0.320 55 H SER 9 H SER 9 -2.842 2.392 -2.999 56 HA SER 9 HA SER 9 -4.979 4.424 -3.215 57 HB2 SER 9 HB2 SER 9 -3.205 5.422 -1.808 58 HB3 SER 9 HB3 SER 9 -2.034 5.174 -3.111 59 HG SER 9 HG SER 9 -3.038 7.301 -3.040 60 H ILE 10 H ILE 10 -4.118 5.824 -5.366 61 HA ILE 10 HA ILE 10 -4.724 3.839 -7.392 62 HB ILE 10 HB ILE 10 -4.202 6.795 -7.827 63 HG12 ILE 10 HG12 ILE 10 -5.878 6.701 -6.066 64 HG13 ILE 10 HG13 ILE 10 -6.606 7.197 -7.575 65 HG21 ILE 10 HG21 ILE 10 -5.830 4.724 -9.359 66 HG22 ILE 10 HG22 ILE 10 -5.798 6.469 -9.717 67 HG23 ILE 10 HG23 ILE 10 -4.324 5.493 -9.877 68 HD11 ILE 10 HD11 ILE 10 -7.613 4.963 -7.887 69 HD12 ILE 10 HD12 ILE 10 -6.794 4.379 -6.416 70 HD13 ILE 10 HD13 ILE 10 -8.039 5.639 -6.313 71 H CYS 11 H CYS 11 -1.946 5.912 -6.869 72 HA CYS 11 HA CYS 11 0.056 6.208 -7.861 73 HB2 CYS 11 HB2 CYS 11 1.480 4.487 -7.700 74 HB3 CYS 11 HB3 CYS 11 0.160 3.881 -6.745 75 H SER 12 H SER 12 1.481 5.010 -9.960 76 HA SER 12 HA SER 12 -0.036 5.247 -12.434 77 HB2 SER 12 HB2 SER 12 1.003 7.290 -13.222 78 HB3 SER 12 HB3 SER 12 0.204 7.636 -11.684 79 HG SER 12 HG SER 12 2.303 8.510 -11.783 80 H LEU 13 H LEU 13 1.537 5.350 -14.361 81 HA LEU 13 HA LEU 13 3.501 3.296 -14.332 82 HB2 LEU 13 HB2 LEU 13 3.329 5.693 -16.191 83 HB3 LEU 13 HB3 LEU 13 4.164 4.175 -16.511 84 HG LEU 13 HG LEU 13 1.141 4.530 -16.221 85 HD11 LEU 13 HD11 LEU 13 2.045 5.505 -18.290 86 HD12 LEU 13 HD12 LEU 13 1.110 4.047 -18.642 87 HD13 LEU 13 HD13 LEU 13 2.881 3.982 -18.661 88 HD21 LEU 13 HD21 LEU 13 1.799 2.260 -15.509 89 HD22 LEU 13 HD22 LEU 13 2.740 2.061 -17.009 90 HD23 LEU 13 HD23 LEU 13 0.981 2.215 -17.075 91 H TYR 14 H TYR 14 3.853 6.790 -13.723 92 HA TYR 14 HA TYR 14 6.707 6.819 -13.643 93 HB2 TYR 14 HB2 TYR 14 4.648 8.677 -12.427 94 HB3 TYR 14 HB3 TYR 14 6.375 8.951 -12.353 95 HD1 TYR 14 HD1 TYR 14 3.419 9.336 -14.383 96 HD2 TYR 14 HD2 TYR 14 7.730 9.100 -14.543 97 HE1 TYR 14 HE1 TYR 14 3.399 10.425 -16.622 98 HE2 TYR 14 HE2 TYR 14 7.703 10.185 -16.781 99 HH TYR 14 HH TYR 14 4.646 11.190 -18.382 100 H GLN 15 H GLN 15 4.380 5.974 -11.174 101 HA GLN 15 HA GLN 15 6.339 5.755 -9.016 102 HB2 GLN 15 HB2 GLN 15 3.430 5.118 -9.403 103 HB3 GLN 15 HB3 GLN 15 4.286 4.242 -8.150 104 HG2 GLN 15 HG2 GLN 15 3.063 6.376 -7.462 105 HG3 GLN 15 HG3 GLN 15 4.693 6.130 -6.865 106 HE21 GLN 15 HE21 GLN 15 3.092 7.797 -9.726 107 HE22 GLN 15 HE22 GLN 15 4.204 9.152 -9.623 108 H LEU 16 H LEU 16 4.918 3.498 -11.364 109 HA LEU 16 HA LEU 16 6.085 1.103 -10.315 110 HB2 LEU 16 HB2 LEU 16 4.943 1.877 -13.027 111 HB3 LEU 16 HB3 LEU 16 5.453 0.243 -12.665 112 HG LEU 16 HG LEU 16 3.358 1.677 -10.974 113 HD11 LEU 16 HD11 LEU 16 1.700 0.386 -12.320 114 HD12 LEU 16 HD12 LEU 16 3.013 -0.089 -13.431 115 HD13 LEU 16 HD13 LEU 16 2.536 1.616 -13.263 116 HD21 LEU 16 HD21 LEU 16 4.389 -0.362 -9.960 117 HD22 LEU 16 HD22 LEU 16 3.935 -1.285 -11.412 118 HD23 LEU 16 HD23 LEU 16 2.682 -0.584 -10.360 119 H GLU 17 H GLU 17 7.440 3.514 -12.543 120 HA GLU 17 HA GLU 17 9.627 1.961 -13.544 121 HB2 GLU 17 HB2 GLU 17 9.266 4.926 -13.023 122 HB3 GLU 17 HB3 GLU 17 10.764 4.266 -13.699 123 HG2 GLU 17 HG2 GLU 17 9.538 3.266 -15.580 124 HG3 GLU 17 HG3 GLU 17 8.020 3.907 -14.957 125 H ASN 18 H ASN 18 9.133 3.109 -10.308 126 HA ASN 18 HA ASN 18 11.918 3.421 -9.562 127 HB2 ASN 18 HB2 ASN 18 9.324 3.141 -8.000 128 HB3 ASN 18 HB3 ASN 18 10.879 3.434 -7.227 129 HD21 ASN 18 HD21 ASN 18 8.217 4.903 -8.632 130 HD22 ASN 18 HD22 ASN 18 8.881 6.534 -8.785 131 H TYR 19 H TYR 19 9.927 0.611 -9.847 132 HA TYR 19 HA TYR 19 11.245 -1.045 -7.848 133 HB2 TYR 19 HB2 TYR 19 9.438 -1.693 -10.193 134 HB3 TYR 19 HB3 TYR 19 9.948 -2.847 -8.986 135 HD1 TYR 19 HD1 TYR 19 8.114 0.464 -9.209 136 HD2 TYR 19 HD2 TYR 19 8.561 -3.315 -7.179 137 HE1 TYR 19 HE1 TYR 19 5.943 0.818 -8.068 138 HE2 TYR 19 HE2 TYR 19 6.395 -2.937 -6.028 139 HH TYR 19 HH TYR 19 4.458 -1.693 -6.068 140 H CYS 20 H CYS 20 11.884 -0.288 -11.171 141 HA CYS 20 HA CYS 20 13.103 -2.746 -11.957 142 HB2 CYS 20 HB2 CYS 20 13.246 -0.052 -13.320 143 HB3 CYS 20 HB3 CYS 20 13.399 -1.651 -14.057 144 H LYS 21 H LYS 21 15.101 -3.348 -12.299 145 HA LYS 21 HA LYS 21 17.377 -1.668 -11.317 146 HB2 LYS 21 HB2 LYS 21 16.552 -3.093 -9.524 147 HB3 LYS 21 HB3 LYS 21 16.735 -4.536 -10.515 148 HG2 LYS 21 HG2 LYS 21 19.144 -2.774 -9.980 149 HG3 LYS 21 HG3 LYS 21 18.531 -3.840 -8.714 150 HD2 LYS 21 HD2 LYS 21 18.833 -5.815 -10.114 151 HD3 LYS 21 HD3 LYS 21 19.351 -4.816 -11.478 152 HE2 LYS 21 HE2 LYS 21 21.304 -5.754 -10.488 153 HE3 LYS 21 HE3 LYS 21 21.299 -4.011 -10.185 154 HZ1 LYS 21 HZ1 LYS 21 20.505 -6.099 -8.214 155 HZ2 LYS 21 HZ2 LYS 21 20.523 -4.489 -7.916 156 HZ3 LYS 21 HZ3 LYS 21 21.916 -5.279 -8.205 157 H1 PHE 1 H1 PHE 1 -3.055 3.718 -21.580 158 H2 PHE 1 H2 PHE 1 -4.267 2.622 -21.489 159 H3 PHE 1 H3 PHE 1 -2.706 2.117 -21.513 160 HA PHE 1 HA PHE 1 -3.611 1.928 -19.355 161 HB2 PHE 1 HB2 PHE 1 -1.335 2.108 -19.240 162 HB3 PHE 1 HB3 PHE 1 -1.320 3.790 -19.735 163 HD1 PHE 1 HD1 PHE 1 -1.682 5.623 -18.146 164 HD2 PHE 1 HD2 PHE 1 -1.824 1.499 -16.875 165 HE1 PHE 1 HE1 PHE 1 -1.627 6.349 -15.781 166 HE2 PHE 1 HE2 PHE 1 -1.738 2.224 -14.509 167 HZ PHE 1 HZ PHE 1 -1.650 4.656 -13.955 168 H VAL 2 H VAL 2 -4.494 2.648 -17.450 169 HA VAL 2 HA VAL 2 -5.364 5.405 -17.249 170 HB VAL 2 HB VAL 2 -7.255 4.276 -18.442 171 HG11 VAL 2 HG11 VAL 2 -8.805 2.861 -17.210 172 HG12 VAL 2 HG12 VAL 2 -7.220 2.088 -17.247 173 HG13 VAL 2 HG13 VAL 2 -7.767 2.895 -15.767 174 HG21 VAL 2 HG21 VAL 2 -8.988 5.356 -17.141 175 HG22 VAL 2 HG22 VAL 2 -7.964 5.397 -15.694 176 HG23 VAL 2 HG23 VAL 2 -7.535 6.368 -17.127 177 H ASN 3 H ASN 3 -5.502 6.164 -15.177 178 HA ASN 3 HA ASN 3 -4.010 4.745 -13.208 179 HB2 ASN 3 HB2 ASN 3 -5.702 7.270 -13.048 180 HB3 ASN 3 HB3 ASN 3 -4.659 6.710 -11.757 181 HD21 ASN 3 HD21 ASN 3 -2.362 6.895 -11.931 182 HD22 ASN 3 HD22 ASN 3 -1.696 7.901 -13.215 183 H GLN 4 H GLN 4 -4.602 3.123 -11.985 184 HA GLN 4 HA GLN 4 -7.131 2.935 -10.532 185 HB2 GLN 4 HB2 GLN 4 -7.743 2.110 -12.784 186 HB3 GLN 4 HB3 GLN 4 -6.401 0.965 -12.759 187 HG2 GLN 4 HG2 GLN 4 -7.462 -0.339 -11.007 188 HG3 GLN 4 HG3 GLN 4 -8.667 0.927 -10.720 189 HE21 GLN 4 HE21 GLN 4 -7.498 -1.273 -13.366 190 HE22 GLN 4 HE22 GLN 4 -9.086 -1.413 -14.103 191 H HIS 5 H HIS 5 -7.014 1.245 -8.886 192 HA HIS 5 HA HIS 5 -4.526 0.810 -7.655 193 HB2 HIS 5 HB2 HIS 5 -7.033 -0.913 -7.501 194 HB3 HIS 5 HB3 HIS 5 -5.672 -0.976 -6.377 195 HD1 HIS 5 HD1 HIS 5 -5.204 1.678 -5.214 196 HD2 HIS 5 HD2 HIS 5 -9.008 0.386 -6.472 197 HE1 HIS 5 HE1 HIS 5 -6.905 2.983 -3.821 198 H LEU 6 H LEU 6 -3.028 -0.750 -7.592 199 HA LEU 6 HA LEU 6 -3.214 -3.190 -9.282 200 HB2 LEU 6 HB2 LEU 6 -0.949 -1.161 -9.278 201 HB3 LEU 6 HB3 LEU 6 -0.805 -2.782 -9.946 202 HG LEU 6 HG LEU 6 -2.811 -0.719 -10.957 203 HD11 LEU 6 HD11 LEU 6 -1.217 -0.400 -12.826 204 HD12 LEU 6 HD12 LEU 6 -0.035 -1.415 -11.968 205 HD13 LEU 6 HD13 LEU 6 -0.571 0.135 -11.271 206 HD21 LEU 6 HD21 LEU 6 -1.770 -3.308 -12.179 207 HD22 LEU 6 HD22 LEU 6 -2.862 -2.153 -12.974 208 HD23 LEU 6 HD23 LEU 6 -3.412 -3.034 -11.551 209 H CYS 7 H CYS 7 -2.929 -4.844 -7.967 210 HA CYS 7 HA CYS 7 -0.949 -4.779 -5.733 211 HB2 CYS 7 HB2 CYS 7 -3.310 -3.987 -5.075 212 HB3 CYS 7 HB3 CYS 7 -3.841 -5.641 -5.362 213 H GLY 8 H GLY 8 -0.155 -6.927 -5.261 214 HA2 GLY 8 HA2 GLY 8 0.386 -9.132 -5.767 215 HA3 GLY 8 HA3 GLY 8 -1.312 -9.359 -6.174 216 H SER 9 H SER 9 -1.092 -10.597 -8.017 217 HA SER 9 HA SER 9 0.874 -10.438 -9.997 218 HB2 SER 9 HB2 SER 9 -2.002 -11.388 -10.261 219 HB3 SER 9 HB3 SER 9 -0.680 -11.755 -11.386 220 HG SER 9 HG SER 9 -0.981 -13.423 -9.835 221 H HIS 10 H HIS 10 -2.076 -8.468 -9.799 222 HA HIS 10 HA HIS 10 -2.062 -7.426 -12.477 223 HB2 HIS 10 HB2 HIS 10 -3.230 -6.622 -9.823 224 HB3 HIS 10 HB3 HIS 10 -3.076 -5.374 -11.039 225 HD1 HIS 10 HD1 HIS 10 -4.401 -5.827 -13.426 226 HD2 HIS 10 HD2 HIS 10 -5.327 -8.215 -10.087 227 HE1 HIS 10 HE1 HIS 10 -6.678 -6.853 -13.900 228 H LEU 11 H LEU 11 -0.262 -6.446 -9.542 229 HA LEU 11 HA LEU 11 0.898 -4.082 -10.781 230 HB2 LEU 11 HB2 LEU 11 0.648 -4.439 -8.299 231 HB3 LEU 11 HB3 LEU 11 1.872 -5.699 -8.401 232 HG LEU 11 HG LEU 11 3.045 -3.469 -9.730 233 HD11 LEU 11 HD11 LEU 11 1.659 -2.564 -7.188 234 HD12 LEU 11 HD12 LEU 11 1.311 -2.012 -8.833 235 HD13 LEU 11 HD13 LEU 11 2.879 -1.651 -8.108 236 HD21 LEU 11 HD21 LEU 11 3.438 -4.414 -6.873 237 HD22 LEU 11 HD22 LEU 11 4.576 -3.454 -7.856 238 HD23 LEU 11 HD23 LEU 11 4.192 -5.117 -8.320 239 H VAL 12 H VAL 12 2.006 -7.495 -10.335 240 HA VAL 12 HA VAL 12 4.553 -7.139 -11.534 241 HB VAL 12 HB VAL 12 2.960 -9.707 -11.741 242 HG11 VAL 12 HG11 VAL 12 5.058 -9.701 -13.017 243 HG12 VAL 12 HG12 VAL 12 5.950 -9.113 -11.600 244 HG13 VAL 12 HG13 VAL 12 5.225 -10.732 -11.601 245 HG21 VAL 12 HG21 VAL 12 4.098 -10.323 -9.575 246 HG22 VAL 12 HG22 VAL 12 4.543 -8.612 -9.382 247 HG23 VAL 12 HG23 VAL 12 2.838 -9.099 -9.412 248 H GLU 13 H GLU 13 1.439 -7.884 -13.111 249 HA GLU 13 HA GLU 13 2.417 -8.039 -15.791 250 HB2 GLU 13 HB2 GLU 13 0.198 -8.818 -15.109 251 HB3 GLU 13 HB3 GLU 13 -0.263 -7.187 -14.642 252 HG2 GLU 13 HG2 GLU 13 -1.330 -7.651 -16.694 253 HG3 GLU 13 HG3 GLU 13 -0.111 -6.439 -17.010 254 H ALA 14 H ALA 14 1.502 -5.209 -13.797 255 HA ALA 14 HA ALA 14 1.785 -3.304 -15.961 256 HB1 ALA 14 HB1 ALA 14 1.790 -2.841 -12.956 257 HB2 ALA 14 HB2 ALA 14 1.468 -1.654 -14.237 258 HB3 ALA 14 HB3 ALA 14 0.332 -2.992 -13.965 259 H LEU 15 H LEU 15 3.992 -4.315 -13.274 260 HA LEU 15 HA LEU 15 6.219 -2.644 -13.959 261 HB2 LEU 15 HB2 LEU 15 6.150 -5.479 -12.818 262 HB3 LEU 15 HB3 LEU 15 7.577 -4.460 -12.883 263 HG LEU 15 HG LEU 15 5.075 -3.812 -11.295 264 HD11 LEU 15 HD11 LEU 15 6.480 -4.363 -9.335 265 HD12 LEU 15 HD12 LEU 15 7.816 -4.813 -10.409 266 HD13 LEU 15 HD13 LEU 15 6.315 -5.767 -10.402 267 HD21 LEU 15 HD21 LEU 15 6.265 -1.775 -11.926 268 HD22 LEU 15 HD22 LEU 15 7.801 -2.494 -11.419 269 HD23 LEU 15 HD23 LEU 15 6.537 -2.119 -10.220 270 H TYR 16 H TYR 16 5.343 -5.904 -15.081 271 HA TYR 16 HA TYR 16 7.410 -6.249 -16.958 272 HB2 TYR 16 HB2 TYR 16 6.220 -8.118 -16.255 273 HB3 TYR 16 HB3 TYR 16 4.666 -7.387 -16.661 274 HD1 TYR 16 HD1 TYR 16 7.702 -8.883 -18.170 275 HD2 TYR 16 HD2 TYR 16 3.627 -7.625 -18.768 276 HE1 TYR 16 HE1 TYR 16 7.705 -9.985 -20.405 277 HE2 TYR 16 HE2 TYR 16 3.616 -8.732 -21.002 278 HH TYR 16 HH TYR 16 6.474 -10.477 -22.292 279 H LEU 17 H LEU 17 4.515 -4.348 -17.366 280 HA LEU 17 HA LEU 17 4.915 -4.026 -20.265 281 HB2 LEU 17 HB2 LEU 17 2.682 -4.213 -19.248 282 HB3 LEU 17 HB3 LEU 17 2.995 -2.801 -18.242 283 HG LEU 17 HG LEU 17 3.147 -1.358 -20.265 284 HD11 LEU 17 HD11 LEU 17 3.778 -3.032 -21.975 285 HD12 LEU 17 HD12 LEU 17 2.264 -2.238 -22.420 286 HD13 LEU 17 HD13 LEU 17 2.233 -3.881 -21.739 287 HD21 LEU 17 HD21 LEU 17 0.736 -1.371 -20.758 288 HD22 LEU 17 HD22 LEU 17 1.031 -1.583 -19.031 289 HD23 LEU 17 HD23 LEU 17 0.582 -2.988 -20.030 290 H VAL 18 H VAL 18 5.462 -2.195 -17.284 291 HA VAL 18 HA VAL 18 6.343 0.277 -18.526 292 HB VAL 18 HB VAL 18 6.460 -0.921 -15.734 293 HG11 VAL 18 HG11 VAL 18 7.094 1.319 -14.888 294 HG12 VAL 18 HG12 VAL 18 8.387 0.559 -15.817 295 HG13 VAL 18 HG13 VAL 18 7.412 1.840 -16.566 296 HG21 VAL 18 HG21 VAL 18 4.967 1.488 -16.863 297 HG22 VAL 18 HG22 VAL 18 4.248 -0.113 -16.650 298 HG23 VAL 18 HG23 VAL 18 4.784 0.795 -15.239 299 H CYS 19 H CYS 19 8.109 -2.571 -17.210 300 HA CYS 19 HA CYS 19 10.668 -1.420 -18.253 301 HB2 CYS 19 HB2 CYS 19 9.975 -2.875 -15.722 302 HB3 CYS 19 HB3 CYS 19 11.639 -2.819 -16.301 303 H GLY 20 H GLY 20 8.639 -3.985 -19.076 304 HA2 GLY 20 HA2 GLY 20 9.002 -5.723 -20.539 305 HA3 GLY 20 HA3 GLY 20 10.441 -4.838 -21.031 306 H GLU 21 H GLU 21 9.671 -6.536 -18.001 307 HA GLU 21 HA GLU 21 10.865 -7.864 -16.638 308 HB2 GLU 21 HB2 GLU 21 11.413 -10.050 -17.381 309 HB3 GLU 21 HB3 GLU 21 9.853 -9.530 -17.987 310 HG2 GLU 21 HG2 GLU 21 10.720 -9.225 -20.225 311 HG3 GLU 21 HG3 GLU 21 12.379 -9.510 -19.674 312 H ARG 22 H ARG 22 12.443 -5.657 -17.659 313 HA ARG 22 HA ARG 22 15.155 -6.195 -17.985 314 HB2 ARG 22 HB2 ARG 22 14.419 -3.971 -18.194 315 HB3 ARG 22 HB3 ARG 22 13.605 -3.988 -16.628 316 HG2 ARG 22 HG2 ARG 22 15.514 -2.540 -16.547 317 HG3 ARG 22 HG3 ARG 22 15.692 -3.880 -15.434 318 HD2 ARG 22 HD2 ARG 22 17.156 -4.989 -17.278 319 HD3 ARG 22 HD3 ARG 22 17.117 -3.403 -18.067 320 HE ARG 22 HE ARG 22 17.938 -3.623 -15.195 321 HH11 ARG 22 HH11 ARG 22 19.136 -3.132 -18.467 322 HH12 ARG 22 HH12 ARG 22 20.609 -2.392 -17.906 323 HH21 ARG 22 HH21 ARG 22 19.712 -2.572 -14.567 324 HH22 ARG 22 HH22 ARG 22 20.963 -2.131 -15.720 325 H GLY 23 H GLY 23 13.535 -5.932 -14.798 326 HA2 GLY 23 HA2 GLY 23 14.852 -8.004 -13.484 327 HA3 GLY 23 HA3 GLY 23 16.013 -6.681 -13.398 328 H PHE 24 H PHE 24 12.552 -5.992 -13.150 329 HA PHE 24 HA PHE 24 12.934 -4.581 -10.745 330 HB2 PHE 24 HB2 PHE 24 10.366 -4.458 -10.743 331 HB3 PHE 24 HB3 PHE 24 11.284 -3.708 -12.031 332 HD1 PHE 24 HD1 PHE 24 9.347 -6.805 -11.226 333 HD2 PHE 24 HD2 PHE 24 10.950 -4.242 -14.287 334 HE1 PHE 24 HE1 PHE 24 8.168 -8.149 -12.955 335 HE2 PHE 24 HE2 PHE 24 9.769 -5.566 -16.022 336 HZ PHE 24 HZ PHE 24 8.406 -7.554 -15.356 337 H PHE 25 H PHE 25 12.149 -4.649 -8.692 338 HA PHE 25 HA PHE 25 11.945 -7.309 -7.499 339 HB2 PHE 25 HB2 PHE 25 13.275 -5.876 -6.298 340 HB3 PHE 25 HB3 PHE 25 12.114 -4.561 -6.380 341 HD1 PHE 25 HD1 PHE 25 10.869 -4.065 -4.452 342 HD2 PHE 25 HD2 PHE 25 12.344 -8.077 -5.032 343 HE1 PHE 25 HE1 PHE 25 10.045 -4.700 -2.196 344 HE2 PHE 25 HE2 PHE 25 11.511 -8.710 -2.780 345 HZ PHE 25 HZ PHE 25 10.367 -7.013 -1.355 346 H TYR 26 H TYR 26 10.152 -8.271 -8.341 347 HA TYR 26 HA TYR 26 7.631 -6.973 -8.366 348 HB2 TYR 26 HB2 TYR 26 6.775 -9.175 -9.269 349 HB3 TYR 26 HB3 TYR 26 7.913 -8.226 -10.172 350 HD1 TYR 26 HD1 TYR 26 9.973 -9.132 -10.950 351 HD2 TYR 26 HD2 TYR 26 7.705 -11.209 -7.921 352 HE1 TYR 26 HE1 TYR 26 11.473 -11.090 -11.177 353 HE2 TYR 26 HE2 TYR 26 9.231 -13.178 -8.148 354 HH TYR 26 HH TYR 26 11.952 -13.221 -10.473 355 H THR 27 H THR 27 8.013 -6.670 -5.819 356 HA THR 27 HA THR 27 6.856 -8.647 -4.110 357 HB THR 27 HB THR 27 8.181 -6.948 -3.155 358 HG1 THR 27 HG1 THR 27 6.851 -6.418 -1.475 359 HG21 THR 27 HG21 THR 27 7.461 -4.602 -2.886 360 HG22 THR 27 HG22 THR 27 6.089 -4.888 -3.972 361 HG23 THR 27 HG23 THR 27 7.751 -4.990 -4.584 362 HA PRO 28 HA PRO 28 2.568 -8.085 -5.315 363 HB2 PRO 28 HB2 PRO 28 1.336 -9.799 -3.589 364 HB3 PRO 28 HB3 PRO 28 2.406 -10.360 -4.908 365 HG2 PRO 28 HG2 PRO 28 3.102 -9.979 -1.980 366 HG3 PRO 28 HG3 PRO 28 3.452 -11.382 -3.032 367 HD2 PRO 28 HD2 PRO 28 5.283 -9.390 -2.551 368 HD3 PRO 28 HD3 PRO 28 5.204 -10.274 -4.108 369 H LYS 29 H LYS 29 3.519 -7.682 -1.928 370 HA LYS 29 HA LYS 29 2.037 -5.255 -1.496 371 HB2 LYS 29 HB2 LYS 29 0.161 -6.902 -1.292 372 HB3 LYS 29 HB3 LYS 29 1.070 -7.785 -0.077 373 HG2 LYS 29 HG2 LYS 29 -0.649 -6.466 0.952 374 HG3 LYS 29 HG3 LYS 29 0.916 -5.842 1.459 375 HD2 LYS 29 HD2 LYS 29 0.737 -3.952 -0.101 376 HD3 LYS 29 HD3 LYS 29 -0.728 -4.626 -0.805 377 HE2 LYS 29 HE2 LYS 29 -0.408 -3.677 2.080 378 HE3 LYS 29 HE3 LYS 29 -1.107 -2.719 0.776 379 HZ1 LYS 29 HZ1 LYS 29 -2.872 -4.412 0.575 380 HZ2 LYS 29 HZ2 LYS 29 -2.842 -3.786 2.080 381 HZ3 LYS 29 HZ3 LYS 29 -2.232 -5.276 1.810 382 H THR 30 H THR 30 3.010 -4.123 0.207 383 HA THR 30 HA THR 30 5.347 -5.097 1.427 384 HB THR 30 HB THR 30 3.820 -2.794 2.596 385 HG1 THR 30 HG1 THR 30 4.594 -1.515 0.986 386 HG21 THR 30 HG21 THR 30 5.969 -3.359 3.655 387 HG22 THR 30 HG22 THR 30 6.067 -1.814 2.804 388 HG23 THR 30 HG23 THR 30 6.779 -3.283 2.071 389 H LYS 31 H LYS 31 5.923 -5.948 3.365 390 HA LYS 31 HA LYS 31 4.022 -7.325 5.005 391 HB2 LYS 31 HB2 LYS 31 6.912 -6.540 5.558 392 HB3 LYS 31 HB3 LYS 31 5.939 -7.592 6.592 393 HG2 LYS 31 HG2 LYS 31 5.614 -9.176 4.708 394 HG3 LYS 31 HG3 LYS 31 6.642 -8.162 3.676 395 HD2 LYS 31 HD2 LYS 31 8.540 -8.484 5.232 396 HD3 LYS 31 HD3 LYS 31 7.514 -9.498 6.279 397 HE2 LYS 31 HE2 LYS 31 7.177 -11.078 4.381 398 HE3 LYS 31 HE3 LYS 31 8.211 -10.067 3.359 399 HZ1 LYS 31 HZ1 LYS 31 10.053 -10.528 4.893 400 HZ2 LYS 31 HZ2 LYS 31 9.448 -11.928 4.322 401 HZ3 LYS 31 HZ3 LYS 31 9.092 -11.446 5.844 402 H ARG 32 H ARG 32 3.181 -6.901 7.008 403 HA ARG 32 HA ARG 32 2.402 -4.111 7.345 404 HB2 ARG 32 HB2 ARG 32 1.552 -6.394 9.139 405 HB3 ARG 32 HB3 ARG 32 0.731 -4.878 8.813 406 HG2 ARG 32 HG2 ARG 32 0.921 -7.351 7.092 407 HG3 ARG 32 HG3 ARG 32 -0.513 -6.543 7.691 408 HD2 ARG 32 HD2 ARG 32 1.320 -5.656 5.436 409 HD3 ARG 32 HD3 ARG 32 -0.329 -6.243 5.297 410 HE ARG 32 HE ARG 32 -0.808 -4.097 6.791 411 HH11 ARG 32 HH11 ARG 32 -1.147 -1.995 6.135 412 HH12 ARG 32 HH12 ARG 32 -0.311 -1.378 4.722 413 HH21 ARG 32 HH21 ARG 32 1.418 -4.232 4.050 414 HH22 ARG 32 HH22 ARG 32 0.955 -2.612 3.530 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 4.337 1.732 0.424 2 H2 GLY 1 H2 GLY 1 4.859 3.028 -0.435 3 H3 GLY 1 H3 GLY 1 5.884 2.258 0.590 4 HA2 GLY 1 HA2 GLY 1 6.409 1.668 -1.674 5 HA3 GLY 1 HA3 GLY 1 5.840 0.262 -0.752 6 H ILE 2 H ILE 2 5.762 0.948 -3.681 7 HA ILE 2 HA ILE 2 3.214 1.715 -4.551 8 HB ILE 2 HB ILE 2 5.407 1.505 -5.822 9 HG12 ILE 2 HG12 ILE 2 4.268 0.921 -8.034 10 HG13 ILE 2 HG13 ILE 2 2.784 0.716 -7.104 11 HG21 ILE 2 HG21 ILE 2 5.867 -0.534 -7.080 12 HG22 ILE 2 HG22 ILE 2 5.846 -0.920 -5.358 13 HG23 ILE 2 HG23 ILE 2 4.458 -1.343 -6.377 14 HD11 ILE 2 HD11 ILE 2 4.531 3.215 -7.192 15 HD12 ILE 2 HD12 ILE 2 3.021 2.981 -8.099 16 HD13 ILE 2 HD13 ILE 2 2.981 3.077 -6.325 17 H VAL 3 H VAL 3 4.268 -1.481 -3.542 18 HA VAL 3 HA VAL 3 2.103 -3.003 -4.552 19 HB VAL 3 HB VAL 3 3.553 -3.692 -1.996 20 HG11 VAL 3 HG11 VAL 3 2.451 -5.378 -4.289 21 HG12 VAL 3 HG12 VAL 3 3.301 -6.002 -2.850 22 HG13 VAL 3 HG13 VAL 3 1.736 -5.218 -2.670 23 HG21 VAL 3 HG21 VAL 3 4.610 -4.010 -4.828 24 HG22 VAL 3 HG22 VAL 3 5.356 -3.078 -3.508 25 HG23 VAL 3 HG23 VAL 3 5.263 -4.832 -3.397 26 H GLU 4 H GLU 4 2.255 -0.955 -1.707 27 HA GLU 4 HA GLU 4 -0.504 -1.725 -0.857 28 HB2 GLU 4 HB2 GLU 4 1.243 -1.264 0.869 29 HB3 GLU 4 HB3 GLU 4 1.375 0.391 0.243 30 HG2 GLU 4 HG2 GLU 4 -1.048 0.749 0.775 31 HG3 GLU 4 HG3 GLU 4 -1.125 -0.889 1.434 32 H GLN 5 H GLN 5 1.293 1.168 -2.017 33 HA GLN 5 HA GLN 5 -0.919 2.904 -2.004 34 HB2 GLN 5 HB2 GLN 5 1.681 2.985 -3.571 35 HB3 GLN 5 HB3 GLN 5 0.532 4.324 -3.547 36 HG2 GLN 5 HG2 GLN 5 0.807 4.655 -1.182 37 HG3 GLN 5 HG3 GLN 5 1.708 3.148 -0.984 38 HE21 GLN 5 HE21 GLN 5 1.950 6.296 -2.797 39 HE22 GLN 5 HE22 GLN 5 3.706 6.307 -2.732 40 H CYS 6 H CYS 6 0.258 0.895 -4.733 41 HA CYS 6 HA CYS 6 -1.859 1.946 -6.486 42 HB2 CYS 6 HB2 CYS 6 0.551 1.364 -7.134 43 HB3 CYS 6 HB3 CYS 6 0.031 -0.323 -7.129 44 H CYS 7 H CYS 7 -1.770 -0.442 -4.043 45 HA CYS 7 HA CYS 7 -3.883 -2.134 -5.269 46 HB2 CYS 7 HB2 CYS 7 -2.206 -3.181 -3.799 47 HB3 CYS 7 HB3 CYS 7 -2.671 -2.106 -2.484 48 H THR 8 H THR 8 -3.486 0.206 -2.582 49 HA THR 8 HA THR 8 -6.331 0.418 -2.094 50 HB THR 8 HB THR 8 -4.485 0.508 -0.383 51 HG1 THR 8 HG1 THR 8 -5.723 1.841 0.904 52 HG21 THR 8 HG21 THR 8 -3.551 2.657 0.214 53 HG22 THR 8 HG22 THR 8 -4.428 3.485 -1.091 54 HG23 THR 8 HG23 THR 8 -3.132 2.336 -1.470 55 H SER 9 H SER 9 -4.210 2.183 -4.136 56 HA SER 9 HA SER 9 -6.409 3.905 -5.138 57 HB2 SER 9 HB2 SER 9 -5.120 5.172 -3.365 58 HB3 SER 9 HB3 SER 9 -3.676 5.006 -4.373 59 HG SER 9 HG SER 9 -4.849 6.993 -4.684 60 H ILE 10 H ILE 10 -4.989 5.271 -7.020 61 HA ILE 10 HA ILE 10 -4.179 3.074 -8.875 62 HB ILE 10 HB ILE 10 -4.880 4.402 -10.670 63 HG12 ILE 10 HG12 ILE 10 -5.123 6.758 -8.753 64 HG13 ILE 10 HG13 ILE 10 -3.935 6.571 -10.048 65 HG21 ILE 10 HG21 ILE 10 -7.230 4.626 -10.228 66 HG22 ILE 10 HG22 ILE 10 -6.652 3.334 -9.180 67 HG23 ILE 10 HG23 ILE 10 -6.959 4.947 -8.505 68 HD11 ILE 10 HD11 ILE 10 -6.924 6.921 -10.412 69 HD12 ILE 10 HD12 ILE 10 -5.645 8.084 -10.796 70 HD13 ILE 10 HD13 ILE 10 -5.765 6.578 -11.731 71 H CYS 11 H CYS 11 -2.466 3.444 -10.430 72 HA CYS 11 HA CYS 11 -0.501 5.551 -9.899 73 HB2 CYS 11 HB2 CYS 11 1.347 4.125 -9.521 74 HB3 CYS 11 HB3 CYS 11 0.128 3.688 -8.333 75 H SER 12 H SER 12 1.388 5.315 -11.568 76 HA SER 12 HA SER 12 0.467 4.170 -14.154 77 HB2 SER 12 HB2 SER 12 -0.276 6.550 -13.951 78 HB3 SER 12 HB3 SER 12 1.425 7.033 -13.797 79 HG SER 12 HG SER 12 0.557 7.148 -15.973 80 H LEU 13 H LEU 13 2.340 4.764 -15.803 81 HA LEU 13 HA LEU 13 4.373 2.917 -15.186 82 HB2 LEU 13 HB2 LEU 13 5.291 3.435 -17.334 83 HB3 LEU 13 HB3 LEU 13 3.542 3.466 -17.425 84 HG LEU 13 HG LEU 13 4.017 6.137 -17.035 85 HD11 LEU 13 HD11 LEU 13 6.518 5.838 -17.031 86 HD12 LEU 13 HD12 LEU 13 5.946 6.832 -18.374 87 HD13 LEU 13 HD13 LEU 13 6.412 5.136 -18.650 88 HD21 LEU 13 HD21 LEU 13 4.203 4.670 -19.694 89 HD22 LEU 13 HD22 LEU 13 3.832 6.398 -19.473 90 HD23 LEU 13 HD23 LEU 13 2.711 5.173 -18.864 91 H TYR 14 H TYR 14 4.495 6.460 -14.847 92 HA TYR 14 HA TYR 14 7.279 6.726 -14.396 93 HB2 TYR 14 HB2 TYR 14 5.859 8.658 -14.814 94 HB3 TYR 14 HB3 TYR 14 4.941 8.303 -13.339 95 HD1 TYR 14 HD1 TYR 14 8.434 9.128 -14.452 96 HD2 TYR 14 HD2 TYR 14 5.470 9.375 -11.322 97 HE1 TYR 14 HE1 TYR 14 9.968 10.555 -13.108 98 HE2 TYR 14 HE2 TYR 14 7.014 10.792 -9.974 99 HH TYR 14 HH TYR 14 10.275 11.708 -11.143 100 H GLN 15 H GLN 15 4.649 6.088 -12.071 101 HA GLN 15 HA GLN 15 6.358 6.154 -9.780 102 HB2 GLN 15 HB2 GLN 15 3.588 4.930 -10.151 103 HB3 GLN 15 HB3 GLN 15 4.441 5.081 -8.622 104 HG2 GLN 15 HG2 GLN 15 3.018 6.900 -8.564 105 HG3 GLN 15 HG3 GLN 15 4.571 7.595 -9.002 106 HE21 GLN 15 HE21 GLN 15 3.020 9.416 -9.657 107 HE22 GLN 15 HE22 GLN 15 2.356 9.319 -11.287 108 H LEU 16 H LEU 16 5.263 3.592 -11.950 109 HA LEU 16 HA LEU 16 6.105 1.335 -10.388 110 HB2 LEU 16 HB2 LEU 16 5.399 1.776 -13.325 111 HB3 LEU 16 HB3 LEU 16 5.793 0.185 -12.716 112 HG LEU 16 HG LEU 16 3.525 1.840 -11.537 113 HD11 LEU 16 HD11 LEU 16 3.456 -0.261 -13.739 114 HD12 LEU 16 HD12 LEU 16 3.037 1.458 -13.903 115 HD13 LEU 16 HD13 LEU 16 2.025 0.406 -12.905 116 HD21 LEU 16 HD21 LEU 16 4.095 -1.165 -11.516 117 HD22 LEU 16 HD22 LEU 16 2.737 -0.339 -10.729 118 HD23 LEU 16 HD23 LEU 16 4.389 -0.072 -10.147 119 H GLU 17 H GLU 17 7.764 3.008 -13.159 120 HA GLU 17 HA GLU 17 9.797 1.050 -13.378 121 HB2 GLU 17 HB2 GLU 17 11.106 2.689 -14.638 122 HB3 GLU 17 HB3 GLU 17 9.446 2.552 -15.191 123 HG2 GLU 17 HG2 GLU 17 8.807 4.590 -14.144 124 HG3 GLU 17 HG3 GLU 17 10.366 4.759 -13.330 125 H ASN 18 H ASN 18 9.487 3.316 -10.855 126 HA ASN 18 HA ASN 18 12.204 3.547 -9.960 127 HB2 ASN 18 HB2 ASN 18 9.549 3.480 -8.453 128 HB3 ASN 18 HB3 ASN 18 11.088 3.956 -7.732 129 HD21 ASN 18 HD21 ASN 18 8.337 5.165 -9.050 130 HD22 ASN 18 HD22 ASN 18 8.950 6.719 -9.618 131 H TYR 19 H TYR 19 10.000 0.818 -9.933 132 HA TYR 19 HA TYR 19 11.481 -0.573 -7.810 133 HB2 TYR 19 HB2 TYR 19 8.889 -1.187 -9.202 134 HB3 TYR 19 HB3 TYR 19 9.679 -2.301 -8.094 135 HD1 TYR 19 HD1 TYR 19 8.286 1.165 -8.355 136 HD2 TYR 19 HD2 TYR 19 9.519 -2.029 -5.723 137 HE1 TYR 19 HE1 TYR 19 7.542 2.490 -6.420 138 HE2 TYR 19 HE2 TYR 19 8.653 -0.736 -3.766 139 HH TYR 19 HH TYR 19 7.593 2.646 -4.058 140 H CYS 20 H CYS 20 11.866 -0.359 -11.060 141 HA CYS 20 HA CYS 20 12.842 -3.037 -11.604 142 HB2 CYS 20 HB2 CYS 20 12.863 -0.533 -13.295 143 HB3 CYS 20 HB3 CYS 20 13.041 -2.200 -13.852 144 H LYS 21 H LYS 21 14.822 -3.652 -12.235 145 HA LYS 21 HA LYS 21 17.123 -1.780 -12.025 146 HB2 LYS 21 HB2 LYS 21 16.799 -2.830 -9.824 147 HB3 LYS 21 HB3 LYS 21 16.988 -4.431 -10.534 148 HG2 LYS 21 HG2 LYS 21 19.156 -2.302 -10.726 149 HG3 LYS 21 HG3 LYS 21 18.963 -3.318 -9.300 150 HD2 LYS 21 HD2 LYS 21 19.273 -5.368 -10.702 151 HD3 LYS 21 HD3 LYS 21 19.541 -4.337 -12.109 152 HE2 LYS 21 HE2 LYS 21 21.688 -5.003 -11.317 153 HE3 LYS 21 HE3 LYS 21 21.490 -3.284 -11.002 154 HZ1 LYS 21 HZ1 LYS 21 22.447 -4.479 -9.106 155 HZ2 LYS 21 HZ2 LYS 21 21.130 -5.428 -8.970 156 HZ3 LYS 21 HZ3 LYS 21 21.025 -3.819 -8.675 157 H1 PHE 1 H1 PHE 1 -3.996 10.585 -18.775 158 H2 PHE 1 H2 PHE 1 -5.402 11.356 -18.445 159 H3 PHE 1 H3 PHE 1 -5.070 10.889 -19.982 160 HA PHE 1 HA PHE 1 -6.679 9.488 -18.979 161 HB2 PHE 1 HB2 PHE 1 -5.703 8.422 -20.720 162 HB3 PHE 1 HB3 PHE 1 -4.137 8.297 -19.941 163 HD1 PHE 1 HD1 PHE 1 -3.521 6.437 -18.550 164 HD2 PHE 1 HD2 PHE 1 -7.553 6.832 -20.035 165 HE1 PHE 1 HE1 PHE 1 -4.005 4.091 -17.871 166 HE2 PHE 1 HE2 PHE 1 -8.034 4.492 -19.331 167 HZ PHE 1 HZ PHE 1 -6.263 3.121 -18.266 168 H VAL 2 H VAL 2 -7.633 8.569 -17.322 169 HA VAL 2 HA VAL 2 -6.122 8.362 -14.779 170 HB VAL 2 HB VAL 2 -9.107 8.063 -15.182 171 HG11 VAL 2 HG11 VAL 2 -9.187 8.481 -12.758 172 HG12 VAL 2 HG12 VAL 2 -8.209 7.047 -13.093 173 HG13 VAL 2 HG13 VAL 2 -7.417 8.589 -12.698 174 HG21 VAL 2 HG21 VAL 2 -8.485 10.345 -15.831 175 HG22 VAL 2 HG22 VAL 2 -9.260 10.361 -14.247 176 HG23 VAL 2 HG23 VAL 2 -7.494 10.519 -14.366 177 H ASN 3 H ASN 3 -5.054 6.508 -14.519 178 HA ASN 3 HA ASN 3 -5.884 4.017 -15.739 179 HB2 ASN 3 HB2 ASN 3 -3.490 4.811 -15.261 180 HB3 ASN 3 HB3 ASN 3 -3.789 4.430 -13.563 181 HD21 ASN 3 HD21 ASN 3 -2.042 2.856 -13.705 182 HD22 ASN 3 HD22 ASN 3 -2.306 1.323 -14.538 183 H GLN 4 H GLN 4 -6.060 1.994 -14.444 184 HA GLN 4 HA GLN 4 -7.980 2.196 -12.203 185 HB2 GLN 4 HB2 GLN 4 -8.241 -0.199 -12.504 186 HB3 GLN 4 HB3 GLN 4 -8.451 0.644 -14.036 187 HG2 GLN 4 HG2 GLN 4 -6.133 -0.017 -14.706 188 HG3 GLN 4 HG3 GLN 4 -5.924 -0.856 -13.165 189 HE21 GLN 4 HE21 GLN 4 -8.157 -0.800 -16.035 190 HE22 GLN 4 HE22 GLN 4 -8.511 -2.521 -15.930 191 H HIS 5 H HIS 5 -7.599 0.652 -10.380 192 HA HIS 5 HA HIS 5 -4.925 0.951 -9.179 193 HB2 HIS 5 HB2 HIS 5 -5.931 -0.290 -7.273 194 HB3 HIS 5 HB3 HIS 5 -6.759 1.202 -7.687 195 HD1 HIS 5 HD1 HIS 5 -9.310 1.000 -8.444 196 HD2 HIS 5 HD2 HIS 5 -7.272 -2.633 -7.818 197 HE1 HIS 5 HE1 HIS 5 -11.079 -0.832 -8.518 198 H LEU 6 H LEU 6 -3.575 -0.774 -8.581 199 HA LEU 6 HA LEU 6 -3.844 -3.330 -10.091 200 HB2 LEU 6 HB2 LEU 6 -1.341 -1.629 -9.985 201 HB3 LEU 6 HB3 LEU 6 -1.515 -3.180 -10.778 202 HG LEU 6 HG LEU 6 -2.994 -0.650 -11.615 203 HD11 LEU 6 HD11 LEU 6 -0.454 -1.952 -12.593 204 HD12 LEU 6 HD12 LEU 6 -0.616 -0.353 -11.846 205 HD13 LEU 6 HD13 LEU 6 -1.298 -0.649 -13.461 206 HD21 LEU 6 HD21 LEU 6 -2.538 -3.253 -13.142 207 HD22 LEU 6 HD22 LEU 6 -3.425 -1.824 -13.714 208 HD23 LEU 6 HD23 LEU 6 -4.081 -2.788 -12.385 209 H CYS 7 H CYS 7 -4.377 -4.332 -8.164 210 HA CYS 7 HA CYS 7 -2.411 -4.317 -5.925 211 HB2 CYS 7 HB2 CYS 7 -4.963 -4.155 -5.601 212 HB3 CYS 7 HB3 CYS 7 -5.015 -5.858 -6.055 213 H GLY 8 H GLY 8 -1.135 -6.119 -5.429 214 HA2 GLY 8 HA2 GLY 8 -0.056 -8.148 -5.671 215 HA3 GLY 8 HA3 GLY 8 -1.625 -8.787 -6.144 216 H SER 9 H SER 9 -1.347 -9.993 -7.946 217 HA SER 9 HA SER 9 0.780 -9.903 -9.754 218 HB2 SER 9 HB2 SER 9 -2.054 -10.923 -10.209 219 HB3 SER 9 HB3 SER 9 -0.631 -11.337 -11.190 220 HG SER 9 HG SER 9 -1.064 -12.905 -9.563 221 H HIS 10 H HIS 10 -2.152 -7.907 -9.876 222 HA HIS 10 HA HIS 10 -1.957 -7.058 -12.618 223 HB2 HIS 10 HB2 HIS 10 -3.053 -5.714 -10.117 224 HB3 HIS 10 HB3 HIS 10 -3.158 -5.013 -11.718 225 HD1 HIS 10 HD1 HIS 10 -4.772 -6.223 -13.520 226 HD2 HIS 10 HD2 HIS 10 -4.886 -7.600 -9.542 227 HE1 HIS 10 HE1 HIS 10 -6.912 -7.568 -13.294 228 H LEU 11 H LEU 11 -0.243 -5.979 -9.674 229 HA LEU 11 HA LEU 11 0.973 -3.649 -10.930 230 HB2 LEU 11 HB2 LEU 11 0.659 -3.942 -8.459 231 HB3 LEU 11 HB3 LEU 11 1.815 -5.260 -8.484 232 HG LEU 11 HG LEU 11 3.156 -3.106 -9.792 233 HD11 LEU 11 HD11 LEU 11 1.809 -2.133 -7.257 234 HD12 LEU 11 HD12 LEU 11 1.396 -1.618 -8.905 235 HD13 LEU 11 HD13 LEU 11 3.006 -1.272 -8.263 236 HD21 LEU 11 HD21 LEU 11 3.381 -4.052 -6.916 237 HD22 LEU 11 HD22 LEU 11 4.611 -3.159 -7.848 238 HD23 LEU 11 HD23 LEU 11 4.163 -4.807 -8.322 239 H VAL 12 H VAL 12 1.990 -7.031 -10.296 240 HA VAL 12 HA VAL 12 4.594 -6.851 -11.425 241 HB VAL 12 HB VAL 12 2.887 -9.351 -11.446 242 HG11 VAL 12 HG11 VAL 12 5.112 -10.460 -11.162 243 HG12 VAL 12 HG12 VAL 12 4.988 -9.582 -12.688 244 HG13 VAL 12 HG13 VAL 12 5.890 -8.870 -11.335 245 HG21 VAL 12 HG21 VAL 12 2.793 -8.474 -9.167 246 HG22 VAL 12 HG22 VAL 12 3.872 -9.861 -9.222 247 HG23 VAL 12 HG23 VAL 12 4.549 -8.217 -9.165 248 H GLU 13 H GLU 13 1.492 -7.659 -12.985 249 HA GLU 13 HA GLU 13 2.504 -8.091 -15.624 250 HB2 GLU 13 HB2 GLU 13 0.249 -8.753 -14.869 251 HB3 GLU 13 HB3 GLU 13 -0.174 -7.071 -14.595 252 HG2 GLU 13 HG2 GLU 13 -1.240 -7.769 -16.590 253 HG3 GLU 13 HG3 GLU 13 -0.006 -6.600 -17.026 254 H ALA 14 H ALA 14 1.711 -5.064 -13.895 255 HA ALA 14 HA ALA 14 2.044 -3.400 -16.264 256 HB1 ALA 14 HB1 ALA 14 0.529 -2.830 -14.422 257 HB2 ALA 14 HB2 ALA 14 1.913 -2.660 -13.311 258 HB3 ALA 14 HB3 ALA 14 1.734 -1.563 -14.706 259 H LEU 15 H LEU 15 4.131 -4.174 -13.404 260 HA LEU 15 HA LEU 15 6.427 -2.648 -14.172 261 HB2 LEU 15 HB2 LEU 15 6.183 -5.351 -12.773 262 HB3 LEU 15 HB3 LEU 15 7.689 -4.454 -12.901 263 HG LEU 15 HG LEU 15 5.233 -3.321 -11.556 264 HD11 LEU 15 HD11 LEU 15 7.621 -4.779 -10.353 265 HD12 LEU 15 HD12 LEU 15 5.933 -5.333 -10.344 266 HD13 LEU 15 HD13 LEU 15 6.393 -3.892 -9.424 267 HD21 LEU 15 HD21 LEU 15 6.836 -1.774 -10.517 268 HD22 LEU 15 HD22 LEU 15 7.000 -1.677 -12.277 269 HD23 LEU 15 HD23 LEU 15 8.189 -2.584 -11.336 270 H TYR 16 H TYR 16 5.453 -5.935 -15.035 271 HA TYR 16 HA TYR 16 7.530 -6.585 -16.813 272 HB2 TYR 16 HB2 TYR 16 6.205 -8.305 -16.046 273 HB3 TYR 16 HB3 TYR 16 4.715 -7.495 -16.511 274 HD1 TYR 16 HD1 TYR 16 7.364 -9.705 -17.668 275 HD2 TYR 16 HD2 TYR 16 3.898 -7.420 -18.817 276 HE1 TYR 16 HE1 TYR 16 7.258 -10.964 -19.816 277 HE2 TYR 16 HE2 TYR 16 3.776 -8.687 -20.967 278 HH TYR 16 HH TYR 16 6.145 -11.250 -21.798 279 H LEU 17 H LEU 17 4.872 -4.450 -17.469 280 HA LEU 17 HA LEU 17 5.399 -4.398 -20.380 281 HB2 LEU 17 HB2 LEU 17 3.128 -4.526 -19.556 282 HB3 LEU 17 HB3 LEU 17 3.311 -3.084 -18.580 283 HG LEU 17 HG LEU 17 3.784 -2.846 -21.559 284 HD11 LEU 17 HD11 LEU 17 1.045 -2.942 -20.224 285 HD12 LEU 17 HD12 LEU 17 1.690 -4.125 -21.386 286 HD13 LEU 17 HD13 LEU 17 1.366 -2.466 -21.905 287 HD21 LEU 17 HD21 LEU 17 4.119 -0.828 -20.136 288 HD22 LEU 17 HD22 LEU 17 2.478 -1.000 -19.494 289 HD23 LEU 17 HD23 LEU 17 2.736 -0.627 -21.206 290 H VAL 18 H VAL 18 5.635 -2.280 -17.525 291 HA VAL 18 HA VAL 18 6.656 0.044 -18.882 292 HB VAL 18 HB VAL 18 6.724 -0.854 -15.969 293 HG11 VAL 18 HG11 VAL 18 7.165 1.480 -15.374 294 HG12 VAL 18 HG12 VAL 18 8.505 0.784 -16.282 295 HG13 VAL 18 HG13 VAL 18 7.382 1.893 -17.095 296 HG21 VAL 18 HG21 VAL 18 4.889 0.760 -15.701 297 HG22 VAL 18 HG22 VAL 18 4.992 1.187 -17.425 298 HG23 VAL 18 HG23 VAL 18 4.452 -0.406 -16.941 299 H CYS 19 H CYS 19 8.283 -2.685 -17.221 300 HA CYS 19 HA CYS 19 10.934 -1.588 -18.030 301 HB2 CYS 19 HB2 CYS 19 10.058 -3.361 -15.741 302 HB3 CYS 19 HB3 CYS 19 11.732 -2.951 -16.068 303 H GLY 20 H GLY 20 8.894 -4.167 -19.003 304 HA2 GLY 20 HA2 GLY 20 9.331 -5.810 -20.567 305 HA3 GLY 20 HA3 GLY 20 10.934 -5.110 -20.797 306 H GLU 21 H GLU 21 9.688 -6.386 -17.752 307 HA GLU 21 HA GLU 21 10.406 -7.969 -16.296 308 HB2 GLU 21 HB2 GLU 21 9.547 -9.283 -18.407 309 HB3 GLU 21 HB3 GLU 21 11.238 -9.778 -18.534 310 HG2 GLU 21 HG2 GLU 21 11.067 -10.551 -16.094 311 HG3 GLU 21 HG3 GLU 21 9.355 -10.158 -16.160 312 H ARG 22 H ARG 22 12.486 -5.999 -17.246 313 HA ARG 22 HA ARG 22 14.975 -7.282 -17.509 314 HB2 ARG 22 HB2 ARG 22 16.017 -5.175 -17.230 315 HB3 ARG 22 HB3 ARG 22 14.519 -4.945 -18.120 316 HG2 ARG 22 HG2 ARG 22 13.447 -4.159 -15.957 317 HG3 ARG 22 HG3 ARG 22 15.020 -4.299 -15.178 318 HD2 ARG 22 HD2 ARG 22 14.682 -2.002 -15.765 319 HD3 ARG 22 HD3 ARG 22 15.985 -2.672 -16.766 320 HE ARG 22 HE ARG 22 13.535 -2.965 -18.183 321 HH11 ARG 22 HH11 ARG 22 15.583 -0.292 -17.189 322 HH12 ARG 22 HH12 ARG 22 15.110 0.687 -18.550 323 HH21 ARG 22 HH21 ARG 22 13.053 -1.720 -19.917 324 HH22 ARG 22 HH22 ARG 22 13.679 -0.099 -20.048 325 H GLY 23 H GLY 23 13.476 -6.221 -14.433 326 HA2 GLY 23 HA2 GLY 23 14.548 -8.303 -12.896 327 HA3 GLY 23 HA3 GLY 23 15.827 -7.096 -12.898 328 H PHE 24 H PHE 24 12.317 -6.443 -12.638 329 HA PHE 24 HA PHE 24 12.731 -4.768 -10.372 330 HB2 PHE 24 HB2 PHE 24 10.137 -4.738 -10.346 331 HB3 PHE 24 HB3 PHE 24 11.046 -3.987 -11.631 332 HD1 PHE 24 HD1 PHE 24 10.708 -4.491 -13.850 333 HD2 PHE 24 HD2 PHE 24 9.322 -7.211 -10.825 334 HE1 PHE 24 HE1 PHE 24 9.535 -5.823 -15.592 335 HE2 PHE 24 HE2 PHE 24 8.149 -8.560 -12.566 336 HZ PHE 24 HZ PHE 24 8.269 -7.878 -14.941 337 H PHE 25 H PHE 25 11.729 -4.637 -8.404 338 HA PHE 25 HA PHE 25 11.094 -7.201 -7.100 339 HB2 PHE 25 HB2 PHE 25 12.414 -6.403 -5.063 340 HB3 PHE 25 HB3 PHE 25 13.167 -7.229 -6.423 341 HD1 PHE 25 HD1 PHE 25 12.709 -3.854 -4.878 342 HD2 PHE 25 HD2 PHE 25 14.906 -6.241 -7.716 343 HE1 PHE 25 HE1 PHE 25 14.339 -2.003 -5.173 344 HE2 PHE 25 HE2 PHE 25 16.561 -4.412 -7.974 345 HZ PHE 25 HZ PHE 25 16.277 -2.284 -6.707 346 H TYR 26 H TYR 26 9.010 -6.990 -7.024 347 HA TYR 26 HA TYR 26 7.676 -4.780 -5.746 348 HB2 TYR 26 HB2 TYR 26 5.619 -6.255 -6.030 349 HB3 TYR 26 HB3 TYR 26 6.435 -5.574 -7.418 350 HD1 TYR 26 HD1 TYR 26 5.682 -8.706 -5.636 351 HD2 TYR 26 HD2 TYR 26 7.717 -6.946 -9.004 352 HE1 TYR 26 HE1 TYR 26 5.974 -10.971 -6.651 353 HE2 TYR 26 HE2 TYR 26 8.033 -9.207 -9.997 354 HH TYR 26 HH TYR 26 7.686 -11.460 -9.760 355 H THR 27 H THR 27 9.252 -5.080 -3.884 356 HA THR 27 HA THR 27 8.976 -7.138 -2.045 357 HB THR 27 HB THR 27 10.866 -5.575 -2.241 358 HG1 THR 27 HG1 THR 27 11.025 -6.865 -0.567 359 HG21 THR 27 HG21 THR 27 9.285 -3.795 -0.329 360 HG22 THR 27 HG22 THR 27 9.633 -3.404 -2.024 361 HG23 THR 27 HG23 THR 27 10.966 -3.585 -0.868 362 HA PRO 28 HA PRO 28 5.183 -6.257 0.103 363 HB2 PRO 28 HB2 PRO 28 5.293 -8.041 2.164 364 HB3 PRO 28 HB3 PRO 28 5.074 -8.543 0.454 365 HG2 PRO 28 HG2 PRO 28 7.662 -8.434 2.046 366 HG3 PRO 28 HG3 PRO 28 7.026 -9.798 1.076 367 HD2 PRO 28 HD2 PRO 28 8.854 -8.056 0.084 368 HD3 PRO 28 HD3 PRO 28 7.550 -8.705 -0.956 369 H LYS 29 H LYS 29 4.376 -5.171 1.904 370 HA LYS 29 HA LYS 29 6.218 -3.560 3.509 371 HB2 LYS 29 HB2 LYS 29 4.041 -2.761 2.620 372 HB3 LYS 29 HB3 LYS 29 3.188 -3.922 3.645 373 HG2 LYS 29 HG2 LYS 29 4.040 -2.774 5.676 374 HG3 LYS 29 HG3 LYS 29 4.967 -1.652 4.656 375 HD2 LYS 29 HD2 LYS 29 2.816 -0.919 3.591 376 HD3 LYS 29 HD3 LYS 29 1.933 -1.950 4.730 377 HE2 LYS 29 HE2 LYS 29 2.918 -0.662 6.636 378 HE3 LYS 29 HE3 LYS 29 3.798 0.345 5.473 379 HZ1 LYS 29 HZ1 LYS 29 0.847 0.185 5.745 380 HZ2 LYS 29 HZ2 LYS 29 1.593 0.969 4.529 381 HZ3 LYS 29 HZ3 LYS 29 1.785 1.480 6.082 382 H THR 30 H THR 30 4.290 -6.456 4.070 383 HA THR 30 HA THR 30 4.395 -6.413 6.868 384 HB THR 30 HB THR 30 3.849 -9.020 5.576 385 HG1 THR 30 HG1 THR 30 1.911 -8.281 4.740 386 HG21 THR 30 HG21 THR 30 1.831 -8.913 6.992 387 HG22 THR 30 HG22 THR 30 2.259 -7.259 7.494 388 HG23 THR 30 HG23 THR 30 3.276 -8.629 7.968 389 H LYS 31 H LYS 31 7.027 -7.232 5.040 390 HA LYS 31 HA LYS 31 8.049 -9.514 6.432 391 HB2 LYS 31 HB2 LYS 31 10.201 -8.961 5.416 392 HB3 LYS 31 HB3 LYS 31 8.883 -8.914 4.242 393 HG2 LYS 31 HG2 LYS 31 8.840 -6.457 4.313 394 HG3 LYS 31 HG3 LYS 31 10.090 -6.441 5.567 395 HD2 LYS 31 HD2 LYS 31 11.692 -7.511 4.045 396 HD3 LYS 31 HD3 LYS 31 10.479 -7.566 2.754 397 HE2 LYS 31 HE2 LYS 31 11.330 -4.985 4.133 398 HE3 LYS 31 HE3 LYS 31 12.195 -5.619 2.728 399 HZ1 LYS 31 HZ1 LYS 31 9.270 -5.067 2.641 400 HZ2 LYS 31 HZ2 LYS 31 10.267 -5.418 1.397 401 HZ3 LYS 31 HZ3 LYS 31 10.421 -3.987 2.163 402 H ARG 32 H ARG 32 9.606 -9.759 7.980 403 HA ARG 32 HA ARG 32 9.632 -7.762 10.157 404 HB2 ARG 32 HB2 ARG 32 10.852 -10.549 10.051 405 HB3 ARG 32 HB3 ARG 32 10.694 -9.530 11.475 406 HG2 ARG 32 HG2 ARG 32 8.412 -10.784 9.888 407 HG3 ARG 32 HG3 ARG 32 9.007 -11.278 11.473 408 HD2 ARG 32 HD2 ARG 32 8.308 -9.061 12.407 409 HD3 ARG 32 HD3 ARG 32 7.678 -8.610 10.822 410 HE ARG 32 HE ARG 32 5.876 -10.049 11.058 411 HH11 ARG 32 HH11 ARG 32 4.369 -11.148 12.243 412 HH12 ARG 32 HH12 ARG 32 4.738 -11.665 13.862 413 HH21 ARG 32 HH21 ARG 32 7.948 -10.464 13.856 414 HH22 ARG 32 HH22 ARG 32 6.709 -11.300 14.752 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 6.637 2.125 -2.195 2 H2 GLY 1 H2 GLY 1 7.042 1.843 -0.626 3 H3 GLY 1 H3 GLY 1 5.538 2.382 -1.012 4 HA2 GLY 1 HA2 GLY 1 6.660 -0.249 -1.774 5 HA3 GLY 1 HA3 GLY 1 5.509 0.021 -0.457 6 H ILE 2 H ILE 2 5.907 0.257 -3.991 7 HA ILE 2 HA ILE 2 3.320 1.073 -4.675 8 HB ILE 2 HB ILE 2 5.418 0.983 -6.068 9 HG12 ILE 2 HG12 ILE 2 4.280 0.506 -8.243 10 HG13 ILE 2 HG13 ILE 2 2.838 0.029 -7.339 11 HG21 ILE 2 HG21 ILE 2 5.922 -0.987 -7.414 12 HG22 ILE 2 HG22 ILE 2 6.008 -1.426 -5.709 13 HG23 ILE 2 HG23 ILE 2 4.602 -1.893 -6.680 14 HD11 ILE 2 HD11 ILE 2 2.865 2.417 -8.176 15 HD12 ILE 2 HD12 ILE 2 2.658 2.309 -6.416 16 HD13 ILE 2 HD13 ILE 2 4.239 2.737 -7.115 17 H VAL 3 H VAL 3 4.439 -2.171 -3.915 18 HA VAL 3 HA VAL 3 2.275 -3.702 -4.853 19 HB VAL 3 HB VAL 3 4.521 -4.467 -4.009 20 HG11 VAL 3 HG11 VAL 3 3.175 -4.403 -1.267 21 HG12 VAL 3 HG12 VAL 3 4.746 -5.099 -1.666 22 HG13 VAL 3 HG13 VAL 3 4.517 -3.350 -1.787 23 HG21 VAL 3 HG21 VAL 3 3.705 -6.642 -3.209 24 HG22 VAL 3 HG22 VAL 3 2.086 -5.964 -2.954 25 HG23 VAL 3 HG23 VAL 3 2.761 -6.065 -4.598 26 H GLU 4 H GLU 4 2.462 -1.723 -1.953 27 HA GLU 4 HA GLU 4 -0.311 -2.496 -1.158 28 HB2 GLU 4 HB2 GLU 4 1.348 -2.406 0.651 29 HB3 GLU 4 HB3 GLU 4 1.791 -0.767 0.186 30 HG2 GLU 4 HG2 GLU 4 0.436 -0.628 2.127 31 HG3 GLU 4 HG3 GLU 4 -0.459 0.060 0.789 32 H GLN 5 H GLN 5 1.619 0.406 -2.053 33 HA GLN 5 HA GLN 5 -0.525 2.217 -1.779 34 HB2 GLN 5 HB2 GLN 5 2.071 2.420 -3.325 35 HB3 GLN 5 HB3 GLN 5 0.921 3.756 -3.175 36 HG2 GLN 5 HG2 GLN 5 1.104 3.704 -0.723 37 HG3 GLN 5 HG3 GLN 5 2.184 2.308 -0.803 38 HE21 GLN 5 HE21 GLN 5 1.967 5.761 -1.932 39 HE22 GLN 5 HE22 GLN 5 3.711 5.963 -1.954 40 H CYS 6 H CYS 6 0.452 0.445 -4.755 41 HA CYS 6 HA CYS 6 -1.594 1.847 -6.330 42 HB2 CYS 6 HB2 CYS 6 0.682 0.985 -7.148 43 HB3 CYS 6 HB3 CYS 6 -0.071 -0.613 -7.192 44 H CYS 7 H CYS 7 -1.601 -0.854 -4.162 45 HA CYS 7 HA CYS 7 -3.982 -2.119 -5.369 46 HB2 CYS 7 HB2 CYS 7 -2.331 -3.462 -4.085 47 HB3 CYS 7 HB3 CYS 7 -2.682 -2.515 -2.645 48 H THR 8 H THR 8 -3.220 -0.211 -2.422 49 HA THR 8 HA THR 8 -5.998 0.246 -1.789 50 HB THR 8 HB THR 8 -4.056 -0.069 -0.189 51 HG1 THR 8 HG1 THR 8 -5.129 1.134 1.345 52 HG21 THR 8 HG21 THR 8 -2.943 1.891 0.667 53 HG22 THR 8 HG22 THR 8 -3.817 2.959 -0.457 54 HG23 THR 8 HG23 THR 8 -2.622 1.798 -1.066 55 H SER 9 H SER 9 -3.827 2.074 -3.734 56 HA SER 9 HA SER 9 -5.913 4.102 -4.264 57 HB2 SER 9 HB2 SER 9 -4.386 4.989 -2.470 58 HB3 SER 9 HB3 SER 9 -3.042 4.863 -3.623 59 HG SER 9 HG SER 9 -4.083 6.963 -3.541 60 H ILE 10 H ILE 10 -4.797 5.608 -6.111 61 HA ILE 10 HA ILE 10 -4.342 3.691 -8.316 62 HB ILE 10 HB ILE 10 -4.808 5.570 -9.800 63 HG12 ILE 10 HG12 ILE 10 -5.161 7.226 -7.263 64 HG13 ILE 10 HG13 ILE 10 -3.952 7.464 -8.536 65 HG21 ILE 10 HG21 ILE 10 -6.587 4.079 -8.839 66 HG22 ILE 10 HG22 ILE 10 -6.943 5.348 -7.647 67 HG23 ILE 10 HG23 ILE 10 -7.162 5.654 -9.382 68 HD11 ILE 10 HD11 ILE 10 -5.642 9.108 -8.880 69 HD12 ILE 10 HD12 ILE 10 -5.872 7.891 -10.150 70 HD13 ILE 10 HD13 ILE 10 -6.945 7.921 -8.734 71 H CYS 11 H CYS 11 -2.633 3.683 -9.753 72 HA CYS 11 HA CYS 11 -0.426 5.639 -9.478 73 HB2 CYS 11 HB2 CYS 11 1.242 4.138 -9.055 74 HB3 CYS 11 HB3 CYS 11 -0.015 3.577 -7.973 75 H SER 12 H SER 12 1.313 5.084 -11.243 76 HA SER 12 HA SER 12 0.269 3.906 -13.724 77 HB2 SER 12 HB2 SER 12 -0.634 6.196 -13.700 78 HB3 SER 12 HB3 SER 12 0.999 6.854 -13.532 79 HG SER 12 HG SER 12 0.137 6.812 -15.711 80 H LEU 13 H LEU 13 2.058 4.583 -15.507 81 HA LEU 13 HA LEU 13 4.311 3.005 -14.989 82 HB2 LEU 13 HB2 LEU 13 5.072 3.623 -17.137 83 HB3 LEU 13 HB3 LEU 13 3.325 3.531 -17.175 84 HG LEU 13 HG LEU 13 3.561 6.203 -16.765 85 HD11 LEU 13 HD11 LEU 13 6.059 5.473 -18.371 86 HD12 LEU 13 HD12 LEU 13 6.076 6.184 -16.753 87 HD13 LEU 13 HD13 LEU 13 5.423 7.112 -18.099 88 HD21 LEU 13 HD21 LEU 13 3.900 4.822 -19.450 89 HD22 LEU 13 HD22 LEU 13 3.365 6.500 -19.195 90 HD23 LEU 13 HD23 LEU 13 2.364 5.156 -18.618 91 H TYR 14 H TYR 14 3.983 6.523 -14.558 92 HA TYR 14 HA TYR 14 6.711 7.121 -14.132 93 HB2 TYR 14 HB2 TYR 14 4.178 8.474 -13.188 94 HB3 TYR 14 HB3 TYR 14 5.781 9.131 -12.907 95 HD1 TYR 14 HD1 TYR 14 3.097 8.837 -15.315 96 HD2 TYR 14 HD2 TYR 14 7.334 9.585 -14.915 97 HE1 TYR 14 HE1 TYR 14 3.134 9.828 -17.594 98 HE2 TYR 14 HE2 TYR 14 7.363 10.575 -17.206 99 HH TYR 14 HH TYR 14 4.408 10.820 -19.216 100 H GLN 15 H GLN 15 4.429 5.723 -11.899 101 HA GLN 15 HA GLN 15 6.306 5.933 -9.622 102 HB2 GLN 15 HB2 GLN 15 3.519 4.700 -9.894 103 HB3 GLN 15 HB3 GLN 15 4.504 4.678 -8.432 104 HG2 GLN 15 HG2 GLN 15 3.013 6.463 -8.111 105 HG3 GLN 15 HG3 GLN 15 4.565 7.197 -8.475 106 HE21 GLN 15 HE21 GLN 15 3.780 9.181 -9.352 107 HE22 GLN 15 HE22 GLN 15 2.767 9.227 -10.787 108 H LEU 16 H LEU 16 5.054 3.526 -11.915 109 HA LEU 16 HA LEU 16 6.179 1.215 -10.622 110 HB2 LEU 16 HB2 LEU 16 5.117 1.809 -13.415 111 HB3 LEU 16 HB3 LEU 16 5.605 0.195 -12.950 112 HG LEU 16 HG LEU 16 3.470 1.730 -11.407 113 HD11 LEU 16 HD11 LEU 16 3.131 -0.171 -13.757 114 HD12 LEU 16 HD12 LEU 16 2.738 1.554 -13.749 115 HD13 LEU 16 HD13 LEU 16 1.814 0.445 -12.726 116 HD21 LEU 16 HD21 LEU 16 2.781 -0.449 -10.651 117 HD22 LEU 16 HD22 LEU 16 4.522 -0.313 -10.340 118 HD23 LEU 16 HD23 LEU 16 3.940 -1.263 -11.724 119 H GLU 17 H GLU 17 7.483 3.337 -13.216 120 HA GLU 17 HA GLU 17 9.718 1.747 -13.967 121 HB2 GLU 17 HB2 GLU 17 9.239 4.750 -13.894 122 HB3 GLU 17 HB3 GLU 17 10.793 4.068 -14.398 123 HG2 GLU 17 HG2 GLU 17 9.651 2.700 -16.123 124 HG3 GLU 17 HG3 GLU 17 8.132 3.501 -15.721 125 H ASN 18 H ASN 18 9.196 3.270 -10.916 126 HA ASN 18 HA ASN 18 11.974 3.635 -10.125 127 HB2 ASN 18 HB2 ASN 18 9.408 3.372 -8.502 128 HB3 ASN 18 HB3 ASN 18 10.966 3.868 -7.864 129 HD21 ASN 18 HD21 ASN 18 10.837 5.411 -10.843 130 HD22 ASN 18 HD22 ASN 18 10.067 6.890 -10.289 131 H TYR 19 H TYR 19 10.018 0.825 -10.488 132 HA TYR 19 HA TYR 19 11.351 -0.634 -8.331 133 HB2 TYR 19 HB2 TYR 19 8.770 -1.024 -9.771 134 HB3 TYR 19 HB3 TYR 19 9.476 -2.311 -8.812 135 HD1 TYR 19 HD1 TYR 19 8.124 1.163 -8.663 136 HD2 TYR 19 HD2 TYR 19 9.611 -2.200 -6.435 137 HE1 TYR 19 HE1 TYR 19 7.439 2.256 -6.556 138 HE2 TYR 19 HE2 TYR 19 8.792 -1.183 -4.310 139 HH TYR 19 HH TYR 19 8.396 1.021 -3.413 140 H CYS 20 H CYS 20 12.105 -0.486 -11.536 141 HA CYS 20 HA CYS 20 12.742 -3.108 -12.252 142 HB2 CYS 20 HB2 CYS 20 14.072 -0.463 -12.880 143 HB3 CYS 20 HB3 CYS 20 14.459 -1.972 -13.687 144 H LYS 21 H LYS 21 14.492 -4.393 -12.008 145 HA LYS 21 HA LYS 21 16.349 -5.368 -11.109 146 HB2 LYS 21 HB2 LYS 21 17.282 -2.571 -11.789 147 HB3 LYS 21 HB3 LYS 21 18.368 -3.950 -11.455 148 HG2 LYS 21 HG2 LYS 21 17.209 -5.211 -13.316 149 HG3 LYS 21 HG3 LYS 21 16.366 -3.726 -13.739 150 HD2 LYS 21 HD2 LYS 21 19.394 -4.158 -13.796 151 HD3 LYS 21 HD3 LYS 21 18.298 -4.192 -15.173 152 HE2 LYS 21 HE2 LYS 21 19.212 -2.084 -15.353 153 HE3 LYS 21 HE3 LYS 21 17.660 -1.769 -14.577 154 HZ1 LYS 21 HZ1 LYS 21 19.487 -0.554 -13.520 155 HZ2 LYS 21 HZ2 LYS 21 20.299 -1.929 -13.200 156 HZ3 LYS 21 HZ3 LYS 21 18.879 -1.615 -12.443 157 H1 PHE 1 H1 PHE 1 -5.925 5.465 -21.175 158 H2 PHE 1 H2 PHE 1 -7.130 5.479 -20.066 159 H3 PHE 1 H3 PHE 1 -5.669 4.846 -19.676 160 HA PHE 1 HA PHE 1 -4.606 6.928 -19.900 161 HB2 PHE 1 HB2 PHE 1 -7.323 7.967 -20.657 162 HB3 PHE 1 HB3 PHE 1 -6.076 9.017 -20.001 163 HD1 PHE 1 HD1 PHE 1 -7.264 7.403 -23.004 164 HD2 PHE 1 HD2 PHE 1 -3.763 9.103 -21.138 165 HE1 PHE 1 HE1 PHE 1 -6.188 7.627 -25.226 166 HE2 PHE 1 HE2 PHE 1 -2.687 9.318 -23.362 167 HZ PHE 1 HZ PHE 1 -3.899 8.574 -25.410 168 H VAL 2 H VAL 2 -4.272 8.454 -18.244 169 HA VAL 2 HA VAL 2 -3.942 8.944 -16.151 170 HB VAL 2 HB VAL 2 -5.496 9.865 -14.866 171 HG11 VAL 2 HG11 VAL 2 -7.028 9.724 -17.494 172 HG12 VAL 2 HG12 VAL 2 -7.112 10.991 -16.261 173 HG13 VAL 2 HG13 VAL 2 -5.625 10.773 -17.192 174 HG21 VAL 2 HG21 VAL 2 -6.864 7.912 -14.239 175 HG22 VAL 2 HG22 VAL 2 -7.852 9.311 -14.646 176 HG23 VAL 2 HG23 VAL 2 -7.692 7.988 -15.804 177 H ASN 3 H ASN 3 -4.126 8.467 -13.736 178 HA ASN 3 HA ASN 3 -2.902 5.913 -13.367 179 HB2 ASN 3 HB2 ASN 3 -3.914 8.002 -11.386 180 HB3 ASN 3 HB3 ASN 3 -3.030 6.554 -10.927 181 HD21 ASN 3 HD21 ASN 3 -1.376 7.820 -9.952 182 HD22 ASN 3 HD22 ASN 3 -0.195 8.623 -10.973 183 H GLN 4 H GLN 4 -3.561 4.054 -12.262 184 HA GLN 4 HA GLN 4 -6.420 3.761 -11.497 185 HB2 GLN 4 HB2 GLN 4 -6.688 1.770 -12.808 186 HB3 GLN 4 HB3 GLN 4 -6.244 3.104 -13.872 187 HG2 GLN 4 HG2 GLN 4 -4.081 2.245 -14.286 188 HG3 GLN 4 HG3 GLN 4 -4.101 1.200 -12.870 189 HE21 GLN 4 HE21 GLN 4 -5.641 -0.692 -12.850 190 HE22 GLN 4 HE22 GLN 4 -6.123 -1.362 -14.407 191 H HIS 5 H HIS 5 -6.876 1.709 -10.363 192 HA HIS 5 HA HIS 5 -4.826 0.958 -8.422 193 HB2 HIS 5 HB2 HIS 5 -7.593 -0.127 -9.060 194 HB3 HIS 5 HB3 HIS 5 -6.558 -0.793 -7.808 195 HD1 HIS 5 HD1 HIS 5 -6.439 0.497 -5.499 196 HD2 HIS 5 HD2 HIS 5 -8.669 2.355 -8.551 197 HE1 HIS 5 HE1 HIS 5 -7.740 2.379 -4.393 198 H LEU 6 H LEU 6 -3.592 -0.849 -8.374 199 HA LEU 6 HA LEU 6 -3.960 -3.103 -10.236 200 HB2 LEU 6 HB2 LEU 6 -1.301 -1.679 -9.903 201 HB3 LEU 6 HB3 LEU 6 -1.545 -3.186 -10.746 202 HG LEU 6 HG LEU 6 -2.861 -0.598 -11.673 203 HD11 LEU 6 HD11 LEU 6 -0.979 -0.515 -13.324 204 HD12 LEU 6 HD12 LEU 6 -0.168 -1.777 -12.347 205 HD13 LEU 6 HD13 LEU 6 -0.509 -0.187 -11.647 206 HD21 LEU 6 HD21 LEU 6 -2.166 -3.185 -13.134 207 HD22 LEU 6 HD22 LEU 6 -2.973 -1.773 -13.832 208 HD23 LEU 6 HD23 LEU 6 -3.800 -2.719 -12.589 209 H CYS 7 H CYS 7 -4.220 -4.734 -8.807 210 HA CYS 7 HA CYS 7 -2.432 -4.904 -6.410 211 HB2 CYS 7 HB2 CYS 7 -4.835 -4.085 -5.989 212 HB3 CYS 7 HB3 CYS 7 -5.356 -5.714 -6.425 213 H GLY 8 H GLY 8 -1.789 -7.000 -5.798 214 HA2 GLY 8 HA2 GLY 8 -1.190 -9.216 -6.125 215 HA3 GLY 8 HA3 GLY 8 -2.744 -9.444 -6.923 216 H SER 9 H SER 9 -2.315 -10.479 -8.807 217 HA SER 9 HA SER 9 0.111 -10.432 -10.258 218 HB2 SER 9 HB2 SER 9 -1.195 -11.517 -12.060 219 HB3 SER 9 HB3 SER 9 -1.463 -12.241 -10.463 220 HG SER 9 HG SER 9 -3.431 -11.912 -11.605 221 H HIS 10 H HIS 10 -2.694 -8.259 -10.596 222 HA HIS 10 HA HIS 10 -2.071 -7.088 -13.108 223 HB2 HIS 10 HB2 HIS 10 -3.369 -5.969 -10.590 224 HB3 HIS 10 HB3 HIS 10 -3.213 -5.044 -12.062 225 HD1 HIS 10 HD1 HIS 10 -4.617 -5.898 -14.232 226 HD2 HIS 10 HD2 HIS 10 -5.455 -7.623 -10.489 227 HE1 HIS 10 HE1 HIS 10 -6.916 -6.953 -14.439 228 H LEU 11 H LEU 11 -0.711 -6.354 -9.875 229 HA LEU 11 HA LEU 11 0.699 -3.966 -10.680 230 HB2 LEU 11 HB2 LEU 11 0.126 -4.469 -8.361 231 HB3 LEU 11 HB3 LEU 11 1.099 -5.922 -8.382 232 HG LEU 11 HG LEU 11 2.039 -3.991 -7.153 233 HD11 LEU 11 HD11 LEU 11 3.494 -5.839 -7.922 234 HD12 LEU 11 HD12 LEU 11 4.308 -4.286 -7.694 235 HD13 LEU 11 HD13 LEU 11 3.937 -4.847 -9.329 236 HD21 LEU 11 HD21 LEU 11 2.563 -2.793 -9.891 237 HD22 LEU 11 HD22 LEU 11 3.115 -2.164 -8.339 238 HD23 LEU 11 HD23 LEU 11 1.383 -2.198 -8.706 239 H VAL 12 H VAL 12 1.710 -7.395 -10.340 240 HA VAL 12 HA VAL 12 4.352 -6.927 -11.256 241 HB VAL 12 HB VAL 12 3.023 -9.613 -11.592 242 HG11 VAL 12 HG11 VAL 12 5.276 -10.429 -10.948 243 HG12 VAL 12 HG12 VAL 12 5.361 -9.368 -12.360 244 HG13 VAL 12 HG13 VAL 12 5.829 -8.749 -10.766 245 HG21 VAL 12 HG21 VAL 12 3.974 -8.393 -8.971 246 HG22 VAL 12 HG22 VAL 12 2.333 -8.971 -9.349 247 HG23 VAL 12 HG23 VAL 12 3.655 -10.125 -9.225 248 H GLU 13 H GLU 13 1.426 -7.875 -13.044 249 HA GLU 13 HA GLU 13 2.634 -8.179 -15.627 250 HB2 GLU 13 HB2 GLU 13 -0.166 -7.521 -14.672 251 HB3 GLU 13 HB3 GLU 13 0.238 -7.613 -16.386 252 HG2 GLU 13 HG2 GLU 13 1.045 -9.903 -16.134 253 HG3 GLU 13 HG3 GLU 13 0.706 -9.882 -14.408 254 H ALA 14 H ALA 14 1.490 -5.251 -13.907 255 HA ALA 14 HA ALA 14 1.944 -3.497 -16.157 256 HB1 ALA 14 HB1 ALA 14 1.806 -2.858 -13.194 257 HB2 ALA 14 HB2 ALA 14 1.606 -1.727 -14.550 258 HB3 ALA 14 HB3 ALA 14 0.415 -3.011 -14.286 259 H LEU 15 H LEU 15 3.995 -4.345 -13.266 260 HA LEU 15 HA LEU 15 6.278 -2.782 -14.013 261 HB2 LEU 15 HB2 LEU 15 6.125 -5.490 -12.608 262 HB3 LEU 15 HB3 LEU 15 7.581 -4.521 -12.740 263 HG LEU 15 HG LEU 15 5.057 -3.637 -11.319 264 HD11 LEU 15 HD11 LEU 15 6.364 -4.017 -9.259 265 HD12 LEU 15 HD12 LEU 15 7.723 -4.639 -10.220 266 HD13 LEU 15 HD13 LEU 15 6.180 -5.519 -10.178 267 HD21 LEU 15 HD21 LEU 15 6.389 -1.721 -12.096 268 HD22 LEU 15 HD22 LEU 15 7.857 -2.438 -11.413 269 HD23 LEU 15 HD23 LEU 15 6.540 -1.884 -10.346 270 H TYR 16 H TYR 16 5.386 -6.084 -14.901 271 HA TYR 16 HA TYR 16 7.522 -6.712 -16.595 272 HB2 TYR 16 HB2 TYR 16 6.195 -8.467 -15.967 273 HB3 TYR 16 HB3 TYR 16 4.711 -7.643 -16.404 274 HD1 TYR 16 HD1 TYR 16 7.494 -9.667 -17.678 275 HD2 TYR 16 HD2 TYR 16 3.857 -7.573 -18.666 276 HE1 TYR 16 HE1 TYR 16 7.412 -10.846 -19.894 277 HE2 TYR 16 HE2 TYR 16 3.774 -8.742 -20.871 278 HH TYR 16 HH TYR 16 4.782 -10.249 -22.256 279 H LEU 17 H LEU 17 4.781 -4.693 -17.428 280 HA LEU 17 HA LEU 17 5.525 -4.586 -20.277 281 HB2 LEU 17 HB2 LEU 17 3.195 -4.776 -19.564 282 HB3 LEU 17 HB3 LEU 17 3.313 -3.320 -18.603 283 HG LEU 17 HG LEU 17 2.043 -3.134 -20.729 284 HD11 LEU 17 HD11 LEU 17 3.000 -1.134 -19.588 285 HD12 LEU 17 HD12 LEU 17 2.719 -0.947 -21.324 286 HD13 LEU 17 HD13 LEU 17 4.367 -1.191 -20.733 287 HD21 LEU 17 HD21 LEU 17 3.151 -2.925 -22.860 288 HD22 LEU 17 HD22 LEU 17 3.515 -4.513 -22.166 289 HD23 LEU 17 HD23 LEU 17 4.741 -3.221 -22.130 290 H VAL 18 H VAL 18 5.400 -2.413 -17.453 291 HA VAL 18 HA VAL 18 6.355 -0.058 -18.804 292 HB VAL 18 HB VAL 18 6.088 -0.882 -15.884 293 HG11 VAL 18 HG11 VAL 18 7.844 0.756 -15.877 294 HG12 VAL 18 HG12 VAL 18 6.930 1.813 -16.987 295 HG13 VAL 18 HG13 VAL 18 6.360 1.522 -15.326 296 HG21 VAL 18 HG21 VAL 18 4.199 0.689 -15.917 297 HG22 VAL 18 HG22 VAL 18 4.537 1.096 -17.614 298 HG23 VAL 18 HG23 VAL 18 3.983 -0.528 -17.177 299 H CYS 19 H CYS 19 8.044 -2.442 -16.664 300 HA CYS 19 HA CYS 19 10.663 -1.202 -17.121 301 HB2 CYS 19 HB2 CYS 19 9.825 -2.515 -15.032 302 HB3 CYS 19 HB3 CYS 19 10.114 -3.964 -16.002 303 H GLY 20 H GLY 20 8.671 -3.687 -18.669 304 HA2 GLY 20 HA2 GLY 20 8.906 -4.579 -20.795 305 HA3 GLY 20 HA3 GLY 20 10.412 -3.687 -21.000 306 H GLU 21 H GLU 21 9.360 -6.222 -18.728 307 HA GLU 21 HA GLU 21 10.314 -8.113 -17.924 308 HB2 GLU 21 HB2 GLU 21 9.633 -8.583 -20.375 309 HB3 GLU 21 HB3 GLU 21 11.373 -8.688 -20.685 310 HG2 GLU 21 HG2 GLU 21 11.480 -10.490 -18.909 311 HG3 GLU 21 HG3 GLU 21 9.739 -10.333 -18.704 312 H ARG 22 H ARG 22 12.215 -5.652 -18.137 313 HA ARG 22 HA ARG 22 14.894 -6.801 -18.136 314 HB2 ARG 22 HB2 ARG 22 13.839 -4.090 -17.254 315 HB3 ARG 22 HB3 ARG 22 15.547 -4.526 -17.273 316 HG2 ARG 22 HG2 ARG 22 15.457 -4.942 -19.705 317 HG3 ARG 22 HG3 ARG 22 13.730 -4.542 -19.722 318 HD2 ARG 22 HD2 ARG 22 14.266 -2.258 -18.872 319 HD3 ARG 22 HD3 ARG 22 15.984 -2.665 -18.906 320 HE ARG 22 HE ARG 22 16.031 -2.491 -21.220 321 HH11 ARG 22 HH11 ARG 22 15.333 -1.637 -23.144 322 HH12 ARG 22 HH12 ARG 22 13.650 -1.260 -23.374 323 HH21 ARG 22 HH21 ARG 22 12.658 -2.276 -20.242 324 HH22 ARG 22 HH22 ARG 22 12.190 -1.555 -21.763 325 H GLY 23 H GLY 23 12.517 -6.949 -15.768 326 HA2 GLY 23 HA2 GLY 23 12.742 -8.252 -13.812 327 HA3 GLY 23 HA3 GLY 23 14.469 -7.900 -13.727 328 H PHE 24 H PHE 24 12.661 -7.703 -11.588 329 HA PHE 24 HA PHE 24 12.882 -5.044 -10.555 330 HB2 PHE 24 HB2 PHE 24 10.238 -4.964 -10.239 331 HB3 PHE 24 HB3 PHE 24 11.062 -4.243 -11.595 332 HD1 PHE 24 HD1 PHE 24 9.216 -7.356 -10.597 333 HD2 PHE 24 HD2 PHE 24 10.622 -4.814 -13.775 334 HE1 PHE 24 HE1 PHE 24 7.974 -8.743 -12.242 335 HE2 PHE 24 HE2 PHE 24 9.419 -6.234 -15.443 336 HZ PHE 24 HZ PHE 24 8.097 -8.207 -14.664 337 H PHE 25 H PHE 25 12.085 -4.687 -8.426 338 HA PHE 25 HA PHE 25 11.047 -7.014 -7.009 339 HB2 PHE 25 HB2 PHE 25 13.259 -7.539 -6.549 340 HB3 PHE 25 HB3 PHE 25 13.683 -5.870 -6.207 341 HD1 PHE 25 HD1 PHE 25 13.192 -4.818 -4.039 342 HD2 PHE 25 HD2 PHE 25 12.015 -8.889 -4.871 343 HE1 PHE 25 HE1 PHE 25 12.770 -5.197 -1.618 344 HE2 PHE 25 HE2 PHE 25 11.623 -9.262 -2.446 345 HZ PHE 25 HZ PHE 25 12.018 -7.422 -0.816 346 H TYR 26 H TYR 26 9.344 -6.567 -5.930 347 HA TYR 26 HA TYR 26 8.813 -3.748 -5.283 348 HB2 TYR 26 HB2 TYR 26 6.381 -4.367 -5.615 349 HB3 TYR 26 HB3 TYR 26 7.449 -4.248 -6.985 350 HD1 TYR 26 HD1 TYR 26 5.544 -6.597 -4.866 351 HD2 TYR 26 HD2 TYR 26 8.143 -6.216 -8.285 352 HE1 TYR 26 HE1 TYR 26 5.010 -8.932 -5.537 353 HE2 TYR 26 HE2 TYR 26 7.639 -8.570 -8.928 354 HH TYR 26 HH TYR 26 5.457 -10.649 -6.996 355 H THR 27 H THR 27 10.008 -5.661 -3.299 356 HA THR 27 HA THR 27 9.739 -6.347 -1.174 357 HB THR 27 HB THR 27 8.320 -3.795 -0.586 358 HG1 THR 27 HG1 THR 27 10.277 -2.764 -0.668 359 HG21 THR 27 HG21 THR 27 8.866 -5.300 1.323 360 HG22 THR 27 HG22 THR 27 9.801 -3.804 1.389 361 HG23 THR 27 HG23 THR 27 10.572 -5.310 0.821 362 HA PRO 28 HA PRO 28 5.474 -7.863 -2.072 363 HB2 PRO 28 HB2 PRO 28 6.766 -10.501 -1.390 364 HB3 PRO 28 HB3 PRO 28 5.594 -10.120 -2.697 365 HG2 PRO 28 HG2 PRO 28 8.223 -10.381 -3.272 366 HG3 PRO 28 HG3 PRO 28 7.293 -9.015 -3.982 367 HD2 PRO 28 HD2 PRO 28 9.085 -8.993 -1.540 368 HD3 PRO 28 HD3 PRO 28 9.064 -7.888 -2.934 369 H LYS 29 H LYS 29 7.159 -7.943 0.887 370 HA LYS 29 HA LYS 29 4.680 -8.488 2.405 371 HB2 LYS 29 HB2 LYS 29 5.773 -10.667 2.248 372 HB3 LYS 29 HB3 LYS 29 7.277 -10.003 2.895 373 HG2 LYS 29 HG2 LYS 29 6.158 -9.491 5.038 374 HG3 LYS 29 HG3 LYS 29 4.621 -10.081 4.397 375 HD2 LYS 29 HD2 LYS 29 7.154 -11.752 4.769 376 HD3 LYS 29 HD3 LYS 29 5.803 -11.679 5.910 377 HE2 LYS 29 HE2 LYS 29 4.265 -12.532 4.132 378 HE3 LYS 29 HE3 LYS 29 5.638 -12.678 3.033 379 HZ1 LYS 29 HZ1 LYS 29 5.361 -14.143 5.600 380 HZ2 LYS 29 HZ2 LYS 29 6.647 -14.258 4.597 381 HZ3 LYS 29 HZ3 LYS 29 5.182 -14.793 4.117 382 H THR 30 H THR 30 4.406 -7.179 4.065 383 HA THR 30 HA THR 30 6.118 -4.991 4.524 384 HB THR 30 HB THR 30 4.016 -5.642 6.537 385 HG1 THR 30 HG1 THR 30 2.438 -4.951 5.126 386 HG21 THR 30 HG21 THR 30 5.152 -3.499 6.778 387 HG22 THR 30 HG22 THR 30 3.501 -3.214 6.231 388 HG23 THR 30 HG23 THR 30 4.834 -3.093 5.069 389 H LYS 31 H LYS 31 7.321 -4.217 6.234 390 HA LYS 31 HA LYS 31 8.783 -6.102 7.887 391 HB2 LYS 31 HB2 LYS 31 9.821 -4.148 8.858 392 HB3 LYS 31 HB3 LYS 31 9.767 -3.981 7.103 393 HG2 LYS 31 HG2 LYS 31 7.825 -2.467 7.268 394 HG3 LYS 31 HG3 LYS 31 7.795 -2.639 9.020 395 HD2 LYS 31 HD2 LYS 31 10.097 -1.463 7.410 396 HD3 LYS 31 HD3 LYS 31 8.858 -0.527 8.245 397 HE2 LYS 31 HE2 LYS 31 10.878 -2.385 9.589 398 HE3 LYS 31 HE3 LYS 31 11.004 -0.628 9.469 399 HZ1 LYS 31 HZ1 LYS 31 8.913 -2.123 10.984 400 HZ2 LYS 31 HZ2 LYS 31 8.884 -0.501 10.744 401 HZ3 LYS 31 HZ3 LYS 31 10.090 -1.186 11.595 402 H ARG 32 H ARG 32 8.926 -5.973 10.217 403 HA ARG 32 HA ARG 32 6.436 -6.185 11.684 404 HB2 ARG 32 HB2 ARG 32 8.490 -7.444 12.252 405 HB3 ARG 32 HB3 ARG 32 9.318 -5.929 12.639 406 HG2 ARG 32 HG2 ARG 32 7.755 -5.513 14.505 407 HG3 ARG 32 HG3 ARG 32 6.799 -6.930 14.045 408 HD2 ARG 32 HD2 ARG 32 8.177 -7.492 15.938 409 HD3 ARG 32 HD3 ARG 32 8.744 -8.398 14.535 410 HE ARG 32 HE ARG 32 10.058 -6.030 15.820 411 HH11 ARG 32 HH11 ARG 32 12.254 -5.850 15.685 412 HH12 ARG 32 HH12 ARG 32 13.166 -7.015 14.767 413 HH21 ARG 32 HH21 ARG 32 10.455 -8.825 13.737 414 HH22 ARG 32 HH22 ARG 32 12.188 -8.650 13.703 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 7.923 -3.439 -0.974 2 H2 GLY 1 H2 GLY 1 7.044 -3.413 -2.341 3 H3 GLY 1 H3 GLY 1 6.295 -3.450 -0.870 4 HA2 GLY 1 HA2 GLY 1 7.105 -1.277 -0.291 5 HA3 GLY 1 HA3 GLY 1 7.980 -1.217 -1.829 6 H ILE 2 H ILE 2 6.963 -0.427 -3.566 7 HA ILE 2 HA ILE 2 4.683 1.124 -3.377 8 HB ILE 2 HB ILE 2 6.676 1.153 -5.021 9 HG12 ILE 2 HG12 ILE 2 3.869 1.897 -5.768 10 HG13 ILE 2 HG13 ILE 2 5.114 2.890 -5.041 11 HG21 ILE 2 HG21 ILE 2 4.800 -0.509 -6.758 12 HG22 ILE 2 HG22 ILE 2 6.415 0.082 -7.174 13 HG23 ILE 2 HG23 ILE 2 6.237 -1.169 -5.945 14 HD11 ILE 2 HD11 ILE 2 5.026 1.874 -7.909 15 HD12 ILE 2 HD12 ILE 2 4.914 3.540 -7.329 16 HD13 ILE 2 HD13 ILE 2 6.451 2.646 -7.176 17 H VAL 3 H VAL 3 4.801 -2.274 -4.031 18 HA VAL 3 HA VAL 3 2.347 -2.811 -5.229 19 HB VAL 3 HB VAL 3 4.205 -4.395 -4.563 20 HG11 VAL 3 HG11 VAL 3 4.046 -5.588 -2.461 21 HG12 VAL 3 HG12 VAL 3 4.252 -3.859 -2.121 22 HG13 VAL 3 HG13 VAL 3 2.658 -4.622 -1.947 23 HG21 VAL 3 HG21 VAL 3 1.379 -5.334 -3.935 24 HG22 VAL 3 HG22 VAL 3 2.040 -5.138 -5.577 25 HG23 VAL 3 HG23 VAL 3 2.752 -6.328 -4.471 26 H GLU 4 H GLU 4 2.830 -1.448 -2.023 27 HA GLU 4 HA GLU 4 0.002 -1.880 -1.292 28 HB2 GLU 4 HB2 GLU 4 1.661 -1.681 0.501 29 HB3 GLU 4 HB3 GLU 4 2.113 -0.075 -0.086 30 HG2 GLU 4 HG2 GLU 4 0.739 0.090 1.905 31 HG3 GLU 4 HG3 GLU 4 -0.031 0.854 0.521 32 H GLN 5 H GLN 5 1.914 0.972 -2.367 33 HA GLN 5 HA GLN 5 -0.206 2.835 -2.439 34 HB2 GLN 5 HB2 GLN 5 2.216 3.399 -2.578 35 HB3 GLN 5 HB3 GLN 5 2.264 2.693 -4.197 36 HG2 GLN 5 HG2 GLN 5 0.377 4.423 -4.767 37 HG3 GLN 5 HG3 GLN 5 0.855 5.230 -3.283 38 HE21 GLN 5 HE21 GLN 5 1.074 5.803 -6.336 39 HE22 GLN 5 HE22 GLN 5 2.755 6.282 -6.546 40 H CYS 6 H CYS 6 1.032 0.713 -5.098 41 HA CYS 6 HA CYS 6 -0.846 1.750 -6.999 42 HB2 CYS 6 HB2 CYS 6 0.522 -0.950 -7.162 43 HB3 CYS 6 HB3 CYS 6 -0.016 0.106 -8.472 44 H CYS 7 H CYS 7 -0.976 -1.108 -4.835 45 HA CYS 7 HA CYS 7 -3.435 -2.201 -5.820 46 HB2 CYS 7 HB2 CYS 7 -1.867 -3.383 -4.287 47 HB3 CYS 7 HB3 CYS 7 -2.181 -2.191 -3.032 48 H THR 8 H THR 8 -2.768 0.078 -3.130 49 HA THR 8 HA THR 8 -5.548 0.408 -2.517 50 HB THR 8 HB THR 8 -3.606 0.388 -0.910 51 HG1 THR 8 HG1 THR 8 -4.779 1.652 0.496 52 HG21 THR 8 HG21 THR 8 -2.566 2.422 -0.275 53 HG22 THR 8 HG22 THR 8 -3.601 3.407 -1.348 54 HG23 THR 8 HG23 THR 8 -2.357 2.326 -2.022 55 H SER 9 H SER 9 -3.505 2.262 -4.643 56 HA SER 9 HA SER 9 -5.924 3.617 -5.570 57 HB2 SER 9 HB2 SER 9 -4.996 5.884 -5.512 58 HB3 SER 9 HB3 SER 9 -5.309 5.223 -3.906 59 HG SER 9 HG SER 9 -3.115 4.855 -3.633 60 H ILE 10 H ILE 10 -2.673 4.745 -6.250 61 HA ILE 10 HA ILE 10 -2.483 3.492 -8.879 62 HB ILE 10 HB ILE 10 -2.382 6.176 -9.673 63 HG12 ILE 10 HG12 ILE 10 -4.986 5.965 -8.166 64 HG13 ILE 10 HG13 ILE 10 -3.576 6.830 -7.567 65 HG21 ILE 10 HG21 ILE 10 -3.018 4.322 -11.021 66 HG22 ILE 10 HG22 ILE 10 -4.490 4.078 -10.071 67 HG23 ILE 10 HG23 ILE 10 -4.284 5.543 -11.080 68 HD11 ILE 10 HD11 ILE 10 -3.553 8.292 -9.550 69 HD12 ILE 10 HD12 ILE 10 -5.005 7.482 -10.166 70 HD13 ILE 10 HD13 ILE 10 -5.073 8.393 -8.645 71 H CYS 11 H CYS 11 -0.658 4.222 -10.154 72 HA CYS 11 HA CYS 11 1.599 5.420 -8.640 73 HB2 CYS 11 HB2 CYS 11 1.452 2.634 -9.835 74 HB3 CYS 11 HB3 CYS 11 2.980 3.428 -9.456 75 H SER 12 H SER 12 3.432 6.013 -9.917 76 HA SER 12 HA SER 12 2.769 6.513 -12.794 77 HB2 SER 12 HB2 SER 12 3.215 8.542 -11.829 78 HB3 SER 12 HB3 SER 12 4.615 7.943 -10.911 79 HG SER 12 HG SER 12 5.063 9.226 -12.842 80 H LEU 13 H LEU 13 4.225 6.162 -14.395 81 HA LEU 13 HA LEU 13 5.612 3.671 -14.433 82 HB2 LEU 13 HB2 LEU 13 6.151 5.997 -16.301 83 HB3 LEU 13 HB3 LEU 13 6.229 4.273 -16.652 84 HG LEU 13 HG LEU 13 3.687 5.899 -16.125 85 HD11 LEU 13 HD11 LEU 13 4.764 6.420 -18.278 86 HD12 LEU 13 HD12 LEU 13 3.241 5.554 -18.517 87 HD13 LEU 13 HD13 LEU 13 4.788 4.694 -18.705 88 HD21 LEU 13 HD21 LEU 13 3.400 3.527 -15.436 89 HD22 LEU 13 HD22 LEU 13 3.985 2.995 -17.029 90 HD23 LEU 13 HD23 LEU 13 2.464 3.896 -16.889 91 H TYR 14 H TYR 14 6.712 6.999 -13.836 92 HA TYR 14 HA TYR 14 9.514 6.451 -13.730 93 HB2 TYR 14 HB2 TYR 14 7.831 8.691 -12.621 94 HB3 TYR 14 HB3 TYR 14 9.555 8.597 -12.352 95 HD1 TYR 14 HD1 TYR 14 11.187 8.680 -14.241 96 HD2 TYR 14 HD2 TYR 14 6.964 9.365 -14.812 97 HE1 TYR 14 HE1 TYR 14 11.649 9.750 -16.450 98 HE2 TYR 14 HE2 TYR 14 7.425 10.424 -17.011 99 HH TYR 14 HH TYR 14 9.032 11.046 -18.525 100 H GLN 15 H GLN 15 7.056 5.995 -11.302 101 HA GLN 15 HA GLN 15 8.949 5.438 -9.121 102 HB2 GLN 15 HB2 GLN 15 5.995 4.718 -9.352 103 HB3 GLN 15 HB3 GLN 15 6.994 4.694 -7.915 104 HG2 GLN 15 HG2 GLN 15 7.234 7.176 -8.051 105 HG3 GLN 15 HG3 GLN 15 6.104 7.175 -9.414 106 HE21 GLN 15 HE21 GLN 15 6.429 6.297 -5.949 107 HE22 GLN 15 HE22 GLN 15 4.711 6.144 -5.638 108 H LEU 16 H LEU 16 6.905 3.570 -11.397 109 HA LEU 16 HA LEU 16 7.563 0.998 -10.327 110 HB2 LEU 16 HB2 LEU 16 6.460 1.933 -13.021 111 HB3 LEU 16 HB3 LEU 16 6.582 0.235 -12.591 112 HG LEU 16 HG LEU 16 4.983 2.232 -10.935 113 HD11 LEU 16 HD11 LEU 16 4.051 2.125 -13.204 114 HD12 LEU 16 HD12 LEU 16 2.994 1.295 -12.055 115 HD13 LEU 16 HD13 LEU 16 4.048 0.343 -13.130 116 HD21 LEU 16 HD21 LEU 16 5.596 0.153 -9.740 117 HD22 LEU 16 HD22 LEU 16 4.912 -0.811 -11.066 118 HD23 LEU 16 HD23 LEU 16 3.861 0.228 -10.075 119 H GLU 17 H GLU 17 9.135 2.857 -12.968 120 HA GLU 17 HA GLU 17 10.905 0.876 -13.937 121 HB2 GLU 17 HB2 GLU 17 11.179 3.881 -13.581 122 HB3 GLU 17 HB3 GLU 17 12.502 2.904 -14.228 123 HG2 GLU 17 HG2 GLU 17 11.046 2.051 -16.020 124 HG3 GLU 17 HG3 GLU 17 9.727 3.071 -15.445 125 H ASN 18 H ASN 18 10.989 2.432 -10.800 126 HA ASN 18 HA ASN 18 13.795 1.924 -10.219 127 HB2 ASN 18 HB2 ASN 18 12.240 3.698 -9.206 128 HB3 ASN 18 HB3 ASN 18 11.466 2.399 -8.299 129 HD21 ASN 18 HD21 ASN 18 12.128 3.872 -6.501 130 HD22 ASN 18 HD22 ASN 18 13.754 3.673 -5.860 131 H TYR 19 H TYR 19 10.923 -0.095 -10.228 132 HA TYR 19 HA TYR 19 11.994 -1.934 -8.226 133 HB2 TYR 19 HB2 TYR 19 9.369 -1.772 -9.633 134 HB3 TYR 19 HB3 TYR 19 9.856 -3.225 -8.774 135 HD1 TYR 19 HD1 TYR 19 9.395 0.474 -8.355 136 HD2 TYR 19 HD2 TYR 19 9.719 -3.351 -6.406 137 HE1 TYR 19 HE1 TYR 19 8.922 1.548 -6.186 138 HE2 TYR 19 HE2 TYR 19 9.133 -2.297 -4.227 139 HH TYR 19 HH TYR 19 8.969 1.236 -3.840 140 H CYS 20 H CYS 20 12.579 -1.576 -11.446 141 HA CYS 20 HA CYS 20 13.039 -4.392 -12.067 142 HB2 CYS 20 HB2 CYS 20 12.194 -2.563 -13.643 143 HB3 CYS 20 HB3 CYS 20 13.871 -2.012 -13.720 144 H LYS 21 H LYS 21 14.310 -4.487 -10.036 145 HA LYS 21 HA LYS 21 17.196 -4.438 -10.696 146 HB2 LYS 21 HB2 LYS 21 17.801 -3.648 -8.484 147 HB3 LYS 21 HB3 LYS 21 16.916 -2.423 -9.388 148 HG2 LYS 21 HG2 LYS 21 14.946 -2.688 -8.039 149 HG3 LYS 21 HG3 LYS 21 15.523 -4.214 -7.363 150 HD2 LYS 21 HD2 LYS 21 15.764 -2.511 -5.669 151 HD3 LYS 21 HD3 LYS 21 17.349 -3.061 -6.192 152 HE2 LYS 21 HE2 LYS 21 17.554 -0.728 -5.964 153 HE3 LYS 21 HE3 LYS 21 17.484 -1.020 -7.708 154 HZ1 LYS 21 HZ1 LYS 21 15.111 -0.372 -7.625 155 HZ2 LYS 21 HZ2 LYS 21 16.038 0.830 -7.059 156 HZ3 LYS 21 HZ3 LYS 21 15.209 -0.111 -6.016 157 H1 PHE 1 H1 PHE 1 -14.189 9.137 -12.334 158 H2 PHE 1 H2 PHE 1 -14.402 9.374 -13.945 159 H3 PHE 1 H3 PHE 1 -12.917 9.561 -13.277 160 HA PHE 1 HA PHE 1 -14.416 7.072 -13.431 161 HB2 PHE 1 HB2 PHE 1 -12.177 8.012 -15.196 162 HB3 PHE 1 HB3 PHE 1 -12.528 6.312 -14.969 163 HD1 PHE 1 HD1 PHE 1 -14.899 5.421 -15.436 164 HD2 PHE 1 HD2 PHE 1 -13.490 9.279 -16.779 165 HE1 PHE 1 HE1 PHE 1 -16.729 5.518 -17.112 166 HE2 PHE 1 HE2 PHE 1 -15.321 9.364 -18.447 167 HZ PHE 1 HZ PHE 1 -16.949 7.491 -18.612 168 H VAL 2 H VAL 2 -13.426 5.097 -12.827 169 HA VAL 2 HA VAL 2 -12.042 5.327 -10.309 170 HB VAL 2 HB VAL 2 -12.419 2.742 -11.824 171 HG11 VAL 2 HG11 VAL 2 -11.025 2.574 -9.810 172 HG12 VAL 2 HG12 VAL 2 -12.277 3.423 -8.849 173 HG13 VAL 2 HG13 VAL 2 -12.584 1.812 -9.529 174 HG21 VAL 2 HG21 VAL 2 -14.569 2.492 -10.587 175 HG22 VAL 2 HG22 VAL 2 -14.444 4.188 -10.075 176 HG23 VAL 2 HG23 VAL 2 -14.631 3.768 -11.797 177 H ASN 3 H ASN 3 -9.957 4.986 -9.721 178 HA ASN 3 HA ASN 3 -7.875 5.188 -11.739 179 HB2 ASN 3 HB2 ASN 3 -7.581 4.687 -8.745 180 HB3 ASN 3 HB3 ASN 3 -6.348 5.296 -9.840 181 HD21 ASN 3 HD21 ASN 3 -8.000 6.430 -7.385 182 HD22 ASN 3 HD22 ASN 3 -8.330 8.052 -7.974 183 H GLN 4 H GLN 4 -5.898 3.720 -11.606 184 HA GLN 4 HA GLN 4 -6.688 1.285 -12.728 185 HB2 GLN 4 HB2 GLN 4 -3.923 2.046 -11.714 186 HB3 GLN 4 HB3 GLN 4 -4.288 0.778 -12.877 187 HG2 GLN 4 HG2 GLN 4 -4.619 3.775 -13.294 188 HG3 GLN 4 HG3 GLN 4 -3.450 2.709 -14.056 189 HE21 GLN 4 HE21 GLN 4 -4.475 0.836 -15.429 190 HE22 GLN 4 HE22 GLN 4 -5.948 1.239 -16.281 191 H HIS 5 H HIS 5 -5.662 1.763 -9.340 192 HA HIS 5 HA HIS 5 -5.237 0.312 -7.647 193 HB2 HIS 5 HB2 HIS 5 -7.822 -0.763 -8.765 194 HB3 HIS 5 HB3 HIS 5 -7.182 -1.150 -7.166 195 HD1 HIS 5 HD1 HIS 5 -8.815 1.742 -9.056 196 HD2 HIS 5 HD2 HIS 5 -7.354 0.724 -5.247 197 HE1 HIS 5 HE1 HIS 5 -9.701 3.517 -7.445 198 H LEU 6 H LEU 6 -3.335 -0.427 -9.070 199 HA LEU 6 HA LEU 6 -3.436 -3.135 -10.176 200 HB2 LEU 6 HB2 LEU 6 -1.063 -1.306 -9.756 201 HB3 LEU 6 HB3 LEU 6 -1.074 -2.805 -10.679 202 HG LEU 6 HG LEU 6 -2.581 -0.268 -11.385 203 HD11 LEU 6 HD11 LEU 6 -0.910 -0.158 -13.218 204 HD12 LEU 6 HD12 LEU 6 -0.104 -1.579 -12.496 205 HD13 LEU 6 HD13 LEU 6 -0.184 -0.046 -11.605 206 HD21 LEU 6 HD21 LEU 6 -3.781 -2.247 -12.279 207 HD22 LEU 6 HD22 LEU 6 -2.258 -2.827 -13.012 208 HD23 LEU 6 HD23 LEU 6 -3.007 -1.323 -13.574 209 H CYS 7 H CYS 7 -4.120 -4.212 -8.306 210 HA CYS 7 HA CYS 7 -2.168 -4.545 -6.099 211 HB2 CYS 7 HB2 CYS 7 -4.777 -4.250 -5.916 212 HB3 CYS 7 HB3 CYS 7 -4.817 -5.972 -6.300 213 H GLY 8 H GLY 8 -0.993 -6.398 -5.722 214 HA2 GLY 8 HA2 GLY 8 0.020 -8.445 -6.104 215 HA3 GLY 8 HA3 GLY 8 -1.559 -9.005 -6.623 216 H SER 9 H SER 9 -1.417 -9.986 -8.560 217 HA SER 9 HA SER 9 0.758 -9.854 -10.355 218 HB2 SER 9 HB2 SER 9 -0.709 -11.114 -11.876 219 HB3 SER 9 HB3 SER 9 -0.728 -11.756 -10.226 220 HG SER 9 HG SER 9 -2.842 -11.580 -11.131 221 H HIS 10 H HIS 10 -2.085 -7.740 -10.232 222 HA HIS 10 HA HIS 10 -1.879 -6.661 -12.893 223 HB2 HIS 10 HB2 HIS 10 -2.957 -5.544 -10.280 224 HB3 HIS 10 HB3 HIS 10 -2.992 -4.652 -11.789 225 HD1 HIS 10 HD1 HIS 10 -4.586 -5.548 -13.754 226 HD2 HIS 10 HD2 HIS 10 -4.898 -7.383 -9.978 227 HE1 HIS 10 HE1 HIS 10 -6.810 -6.768 -13.743 228 H LEU 11 H LEU 11 -0.040 -5.921 -9.916 229 HA LEU 11 HA LEU 11 1.246 -3.545 -11.019 230 HB2 LEU 11 HB2 LEU 11 1.094 -3.991 -8.572 231 HB3 LEU 11 HB3 LEU 11 2.052 -5.448 -8.779 232 HG LEU 11 HG LEU 11 3.702 -3.517 -9.970 233 HD11 LEU 11 HD11 LEU 11 2.468 -2.294 -7.491 234 HD12 LEU 11 HD12 LEU 11 2.210 -1.736 -9.161 235 HD13 LEU 11 HD13 LEU 11 3.830 -1.667 -8.447 236 HD21 LEU 11 HD21 LEU 11 4.419 -5.295 -8.484 237 HD22 LEU 11 HD22 LEU 11 3.690 -4.453 -7.091 238 HD23 LEU 11 HD23 LEU 11 5.060 -3.725 -7.953 239 H VAL 12 H VAL 12 2.092 -7.035 -10.724 240 HA VAL 12 HA VAL 12 4.644 -6.873 -11.970 241 HB VAL 12 HB VAL 12 2.883 -9.325 -12.125 242 HG11 VAL 12 HG11 VAL 12 5.898 -8.940 -11.857 243 HG12 VAL 12 HG12 VAL 12 5.056 -10.497 -11.935 244 HG13 VAL 12 HG13 VAL 12 5.043 -9.427 -13.338 245 HG21 VAL 12 HG21 VAL 12 3.864 -10.005 -9.934 246 HG22 VAL 12 HG22 VAL 12 4.516 -8.362 -9.747 247 HG23 VAL 12 HG23 VAL 12 2.762 -8.638 -9.782 248 H GLU 13 H GLU 13 1.437 -7.313 -13.416 249 HA GLU 13 HA GLU 13 2.277 -7.592 -16.135 250 HB2 GLU 13 HB2 GLU 13 0.016 -8.128 -15.256 251 HB3 GLU 13 HB3 GLU 13 -0.246 -6.431 -14.894 252 HG2 GLU 13 HG2 GLU 13 -1.469 -6.918 -16.841 253 HG3 GLU 13 HG3 GLU 13 -0.145 -5.884 -17.320 254 H ALA 14 H ALA 14 1.973 -4.700 -14.080 255 HA ALA 14 HA ALA 14 2.292 -2.848 -16.331 256 HB1 ALA 14 HB1 ALA 14 2.382 -2.389 -13.320 257 HB2 ALA 14 HB2 ALA 14 2.328 -1.137 -14.582 258 HB3 ALA 14 HB3 ALA 14 0.959 -2.251 -14.377 259 H LEU 15 H LEU 15 4.393 -4.069 -13.659 260 HA LEU 15 HA LEU 15 6.807 -2.753 -14.414 261 HB2 LEU 15 HB2 LEU 15 6.345 -5.479 -13.130 262 HB3 LEU 15 HB3 LEU 15 7.916 -4.689 -13.240 263 HG LEU 15 HG LEU 15 5.555 -3.404 -11.853 264 HD11 LEU 15 HD11 LEU 15 6.635 -4.140 -9.725 265 HD12 LEU 15 HD12 LEU 15 7.770 -5.129 -10.667 266 HD13 LEU 15 HD13 LEU 15 6.030 -5.496 -10.693 267 HD21 LEU 15 HD21 LEU 15 8.553 -2.927 -11.630 268 HD22 LEU 15 HD22 LEU 15 7.280 -2.053 -10.749 269 HD23 LEU 15 HD23 LEU 15 7.425 -1.884 -12.500 270 H TYR 16 H TYR 16 5.457 -5.832 -15.475 271 HA TYR 16 HA TYR 16 7.362 -6.649 -17.342 272 HB2 TYR 16 HB2 TYR 16 5.749 -8.191 -16.793 273 HB3 TYR 16 HB3 TYR 16 4.433 -7.067 -17.051 274 HD1 TYR 16 HD1 TYR 16 3.567 -6.499 -19.272 275 HD2 TYR 16 HD2 TYR 16 6.556 -9.548 -18.663 276 HE1 TYR 16 HE1 TYR 16 3.072 -7.420 -21.531 277 HE2 TYR 16 HE2 TYR 16 6.051 -10.482 -20.930 278 HH TYR 16 HH TYR 16 3.567 -9.036 -23.080 279 H LEU 17 H LEU 17 4.881 -4.222 -17.908 280 HA LEU 17 HA LEU 17 5.629 -3.911 -20.739 281 HB2 LEU 17 HB2 LEU 17 3.285 -3.831 -20.002 282 HB3 LEU 17 HB3 LEU 17 3.647 -2.503 -18.908 283 HG LEU 17 HG LEU 17 4.192 -1.032 -20.848 284 HD11 LEU 17 HD11 LEU 17 3.489 -1.764 -23.127 285 HD12 LEU 17 HD12 LEU 17 3.215 -3.406 -22.504 286 HD13 LEU 17 HD13 LEU 17 4.851 -2.718 -22.527 287 HD21 LEU 17 HD21 LEU 17 1.872 -0.763 -21.607 288 HD22 LEU 17 HD22 LEU 17 1.939 -1.072 -19.864 289 HD23 LEU 17 HD23 LEU 17 1.464 -2.375 -20.979 290 H VAL 18 H VAL 18 6.056 -2.202 -17.667 291 HA VAL 18 HA VAL 18 7.197 0.233 -18.706 292 HB VAL 18 HB VAL 18 7.063 -1.120 -15.987 293 HG11 VAL 18 HG11 VAL 18 8.386 1.542 -16.604 294 HG12 VAL 18 HG12 VAL 18 7.905 0.997 -14.981 295 HG13 VAL 18 HG13 VAL 18 9.149 0.111 -15.861 296 HG21 VAL 18 HG21 VAL 18 5.914 1.508 -17.044 297 HG22 VAL 18 HG22 VAL 18 5.013 -0.016 -16.977 298 HG23 VAL 18 HG23 VAL 18 5.556 0.744 -15.480 299 H CYS 19 H CYS 19 8.802 -2.681 -17.199 300 HA CYS 19 HA CYS 19 11.423 -1.582 -18.034 301 HB2 CYS 19 HB2 CYS 19 10.922 -2.692 -15.767 302 HB3 CYS 19 HB3 CYS 19 10.958 -4.234 -16.640 303 H GLY 20 H GLY 20 9.124 -4.017 -19.183 304 HA2 GLY 20 HA2 GLY 20 9.118 -5.124 -21.225 305 HA3 GLY 20 HA3 GLY 20 10.676 -4.403 -21.623 306 H GLU 21 H GLU 21 9.338 -6.737 -19.285 307 HA GLU 21 HA GLU 21 9.966 -8.760 -18.472 308 HB2 GLU 21 HB2 GLU 21 11.317 -9.107 -21.159 309 HB3 GLU 21 HB3 GLU 21 10.898 -10.393 -20.030 310 HG2 GLU 21 HG2 GLU 21 8.511 -9.870 -20.274 311 HG3 GLU 21 HG3 GLU 21 8.899 -8.589 -21.432 312 H ARG 22 H ARG 22 12.449 -6.561 -18.780 313 HA ARG 22 HA ARG 22 14.728 -8.226 -18.549 314 HB2 ARG 22 HB2 ARG 22 14.252 -5.281 -18.131 315 HB3 ARG 22 HB3 ARG 22 15.840 -5.981 -17.804 316 HG2 ARG 22 HG2 ARG 22 15.965 -6.901 -20.077 317 HG3 ARG 22 HG3 ARG 22 14.374 -6.224 -20.464 318 HD2 ARG 22 HD2 ARG 22 16.808 -4.598 -19.641 319 HD3 ARG 22 HD3 ARG 22 16.288 -4.867 -21.314 320 HE ARG 22 HE ARG 22 14.015 -3.848 -20.135 321 HH11 ARG 22 HH11 ARG 22 17.276 -2.565 -20.314 322 HH12 ARG 22 HH12 ARG 22 16.718 -0.919 -20.169 323 HH21 ARG 22 HH21 ARG 22 13.389 -1.835 -19.987 324 HH22 ARG 22 HH22 ARG 22 14.521 -0.495 -20.014 325 H GLY 23 H GLY 23 12.645 -7.617 -15.881 326 HA2 GLY 23 HA2 GLY 23 14.057 -9.465 -14.317 327 HA3 GLY 23 HA3 GLY 23 14.705 -7.906 -13.830 328 H PHE 24 H PHE 24 13.626 -6.675 -12.500 329 HA PHE 24 HA PHE 24 12.495 -6.057 -10.837 330 HB2 PHE 24 HB2 PHE 24 9.971 -5.819 -10.979 331 HB3 PHE 24 HB3 PHE 24 11.014 -4.965 -12.083 332 HD1 PHE 24 HD1 PHE 24 8.732 -7.866 -11.777 333 HD2 PHE 24 HD2 PHE 24 10.919 -5.293 -14.445 334 HE1 PHE 24 HE1 PHE 24 7.620 -8.951 -13.721 335 HE2 PHE 24 HE2 PHE 24 9.822 -6.393 -16.402 336 HZ PHE 24 HZ PHE 24 8.201 -8.252 -16.030 337 H PHE 25 H PHE 25 11.654 -6.064 -8.947 338 HA PHE 25 HA PHE 25 10.118 -8.320 -8.018 339 HB2 PHE 25 HB2 PHE 25 12.062 -9.429 -7.539 340 HB3 PHE 25 HB3 PHE 25 12.879 -7.985 -6.966 341 HD1 PHE 25 HD1 PHE 25 9.885 -10.112 -6.110 342 HD2 PHE 25 HD2 PHE 25 13.130 -7.679 -4.651 343 HE1 PHE 25 HE1 PHE 25 9.262 -10.682 -3.778 344 HE2 PHE 25 HE2 PHE 25 12.512 -8.259 -2.316 345 HZ PHE 25 HZ PHE 25 10.588 -9.768 -1.874 346 H TYR 26 H TYR 26 8.467 -7.674 -6.913 347 HA TYR 26 HA TYR 26 8.186 -4.907 -6.395 348 HB2 TYR 26 HB2 TYR 26 5.864 -5.571 -5.633 349 HB3 TYR 26 HB3 TYR 26 6.372 -5.854 -7.286 350 HD1 TYR 26 HD1 TYR 26 5.735 -7.540 -4.034 351 HD2 TYR 26 HD2 TYR 26 6.475 -8.049 -8.258 352 HE1 TYR 26 HE1 TYR 26 5.136 -9.949 -3.853 353 HE2 TYR 26 HE2 TYR 26 5.874 -10.458 -8.070 354 HH TYR 26 HH TYR 26 4.881 -11.939 -4.958 355 H THR 27 H THR 27 9.281 -7.200 -4.177 356 HA THR 27 HA THR 27 9.497 -7.373 -2.021 357 HB THR 27 HB THR 27 10.750 -5.961 -1.006 358 HG1 THR 27 HG1 THR 27 10.355 -3.775 -0.769 359 HG21 THR 27 HG21 THR 27 11.926 -4.359 -2.349 360 HG22 THR 27 HG22 THR 27 10.617 -4.316 -3.543 361 HG23 THR 27 HG23 THR 27 11.588 -5.788 -3.326 362 HA PRO 28 HA PRO 28 5.898 -7.801 0.119 363 HB2 PRO 28 HB2 PRO 28 6.305 -7.426 2.827 364 HB3 PRO 28 HB3 PRO 28 6.931 -8.819 1.887 365 HG2 PRO 28 HG2 PRO 28 8.374 -6.257 2.628 366 HG3 PRO 28 HG3 PRO 28 8.960 -7.946 2.791 367 HD2 PRO 28 HD2 PRO 28 9.672 -6.395 0.709 368 HD3 PRO 28 HD3 PRO 28 9.327 -8.131 0.454 369 H LYS 29 H LYS 29 4.039 -6.948 1.167 370 HA LYS 29 HA LYS 29 3.387 -4.246 0.553 371 HB2 LYS 29 HB2 LYS 29 1.739 -6.006 0.583 372 HB3 LYS 29 HB3 LYS 29 2.037 -6.355 2.289 373 HG2 LYS 29 HG2 LYS 29 1.155 -4.167 2.941 374 HG3 LYS 29 HG3 LYS 29 0.901 -3.727 1.256 375 HD2 LYS 29 HD2 LYS 29 -0.465 -6.012 2.753 376 HD3 LYS 29 HD3 LYS 29 -1.161 -4.427 2.459 377 HE2 LYS 29 HE2 LYS 29 -0.491 -6.517 0.347 378 HE3 LYS 29 HE3 LYS 29 -2.090 -6.066 0.940 379 HZ1 LYS 29 HZ1 LYS 29 -0.291 -4.450 -0.742 380 HZ2 LYS 29 HZ2 LYS 29 -1.449 -3.717 0.135 381 HZ3 LYS 29 HZ3 LYS 29 -1.859 -4.836 -1.009 382 H THR 30 H THR 30 3.431 -2.372 1.638 383 HA THR 30 HA THR 30 4.711 -2.254 4.245 384 HB THR 30 HB THR 30 5.075 -0.070 4.081 385 HG1 THR 30 HG1 THR 30 3.879 1.268 2.586 386 HG21 THR 30 HG21 THR 30 6.134 -1.229 2.115 387 HG22 THR 30 HG22 THR 30 5.850 0.504 1.880 388 HG23 THR 30 HG23 THR 30 4.767 -0.675 1.119 389 H LYS 31 H LYS 31 3.975 -1.314 6.145 390 HA LYS 31 HA LYS 31 2.562 -1.134 7.910 391 HB2 LYS 31 HB2 LYS 31 0.601 -0.045 5.860 392 HB3 LYS 31 HB3 LYS 31 0.538 0.218 7.600 393 HG2 LYS 31 HG2 LYS 31 2.653 1.421 7.580 394 HG3 LYS 31 HG3 LYS 31 2.851 1.165 5.851 395 HD2 LYS 31 HD2 LYS 31 0.619 2.755 7.181 396 HD3 LYS 31 HD3 LYS 31 2.017 3.433 6.356 397 HE2 LYS 31 HE2 LYS 31 -0.181 1.751 5.055 398 HE3 LYS 31 HE3 LYS 31 -0.041 3.506 4.981 399 HZ1 LYS 31 HZ1 LYS 31 0.878 2.515 2.996 400 HZ2 LYS 31 HZ2 LYS 31 1.938 1.594 3.834 401 HZ3 LYS 31 HZ3 LYS 31 2.092 3.224 3.825 402 H ARG 32 H ARG 32 2.368 -3.689 6.316 403 HA ARG 32 HA ARG 32 -0.279 -4.796 6.721 404 HB2 ARG 32 HB2 ARG 32 0.726 -6.926 6.141 405 HB3 ARG 32 HB3 ARG 32 1.235 -5.664 5.022 406 HG2 ARG 32 HG2 ARG 32 3.435 -5.500 6.224 407 HG3 ARG 32 HG3 ARG 32 2.913 -6.812 7.302 408 HD2 ARG 32 HD2 ARG 32 2.730 -8.347 5.415 409 HD3 ARG 32 HD3 ARG 32 3.106 -7.057 4.270 410 HE ARG 32 HE ARG 32 5.336 -6.855 5.425 411 HH11 ARG 32 HH11 ARG 32 3.738 -9.977 5.333 412 HH12 ARG 32 HH12 ARG 32 5.242 -10.842 5.504 413 HH21 ARG 32 HH21 ARG 32 7.194 -8.026 5.740 414 HH22 ARG 32 HH22 ARG 32 7.133 -9.763 5.715 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 6.830 0.862 2.227 2 H2 GLY 1 H2 GLY 1 5.234 0.705 1.894 3 H3 GLY 1 H3 GLY 1 5.980 2.151 1.657 4 HA2 GLY 1 HA2 GLY 1 7.357 1.193 -0.085 5 HA3 GLY 1 HA3 GLY 1 6.514 -0.348 0.177 6 H ILE 2 H ILE 2 6.492 0.591 -2.340 7 HA ILE 2 HA ILE 2 4.259 2.372 -2.893 8 HB ILE 2 HB ILE 2 6.094 2.577 -4.319 9 HG12 ILE 2 HG12 ILE 2 4.207 0.937 -6.031 10 HG13 ILE 2 HG13 ILE 2 3.720 2.496 -5.347 11 HG21 ILE 2 HG21 ILE 2 7.359 0.578 -4.109 12 HG22 ILE 2 HG22 ILE 2 5.998 -0.433 -4.618 13 HG23 ILE 2 HG23 ILE 2 6.858 0.565 -5.798 14 HD11 ILE 2 HD11 ILE 2 4.470 2.803 -7.612 15 HD12 ILE 2 HD12 ILE 2 5.582 3.618 -6.489 16 HD13 ILE 2 HD13 ILE 2 6.052 2.079 -7.248 17 H VAL 3 H VAL 3 4.551 -1.100 -2.605 18 HA VAL 3 HA VAL 3 2.263 -1.889 -4.028 19 HB VAL 3 HB VAL 3 4.083 -3.343 -3.035 20 HG11 VAL 3 HG11 VAL 3 2.296 -3.333 -0.564 21 HG12 VAL 3 HG12 VAL 3 3.735 -4.331 -0.845 22 HG13 VAL 3 HG13 VAL 3 3.908 -2.577 -0.678 23 HG21 VAL 3 HG21 VAL 3 1.232 -4.313 -2.611 24 HG22 VAL 3 HG22 VAL 3 2.076 -4.250 -4.177 25 HG23 VAL 3 HG23 VAL 3 2.677 -5.303 -2.888 26 H GLU 4 H GLU 4 2.337 -0.284 -0.952 27 HA GLU 4 HA GLU 4 -0.435 -0.786 -0.238 28 HB2 GLU 4 HB2 GLU 4 1.253 0.037 1.379 29 HB3 GLU 4 HB3 GLU 4 1.424 1.520 0.453 30 HG2 GLU 4 HG2 GLU 4 0.094 2.051 2.312 31 HG3 GLU 4 HG3 GLU 4 -0.987 2.055 0.931 32 H GLN 5 H GLN 5 1.193 1.881 -2.076 33 HA GLN 5 HA GLN 5 -1.201 3.421 -2.461 34 HB2 GLN 5 HB2 GLN 5 1.159 4.279 -2.671 35 HB3 GLN 5 HB3 GLN 5 1.330 3.324 -4.147 36 HG2 GLN 5 HG2 GLN 5 -0.806 4.643 -4.952 37 HG3 GLN 5 HG3 GLN 5 -0.402 5.769 -3.664 38 HE21 GLN 5 HE21 GLN 5 -0.408 6.026 -6.648 39 HE22 GLN 5 HE22 GLN 5 1.221 6.519 -7.095 40 H CYS 6 H CYS 6 0.487 1.000 -4.533 41 HA CYS 6 HA CYS 6 -1.285 1.369 -6.742 42 HB2 CYS 6 HB2 CYS 6 0.472 -1.022 -6.066 43 HB3 CYS 6 HB3 CYS 6 -0.243 -0.661 -7.626 44 H CYS 7 H CYS 7 -1.363 -1.075 -4.110 45 HA CYS 7 HA CYS 7 -3.621 -2.452 -5.323 46 HB2 CYS 7 HB2 CYS 7 -1.837 -3.596 -4.049 47 HB3 CYS 7 HB3 CYS 7 -2.284 -2.720 -2.606 48 H THR 8 H THR 8 -3.292 -0.156 -2.564 49 HA THR 8 HA THR 8 -6.187 -0.335 -2.111 50 HB THR 8 HB THR 8 -6.066 0.378 -0.032 51 HG1 THR 8 HG1 THR 8 -4.395 1.597 0.829 52 HG21 THR 8 HG21 THR 8 -4.264 -0.740 1.133 53 HG22 THR 8 HG22 THR 8 -3.258 -0.776 -0.327 54 HG23 THR 8 HG23 THR 8 -4.754 -1.735 -0.242 55 H SER 9 H SER 9 -4.247 1.819 -3.843 56 HA SER 9 HA SER 9 -6.702 3.351 -4.396 57 HB2 SER 9 HB2 SER 9 -5.705 5.508 -4.305 58 HB3 SER 9 HB3 SER 9 -5.595 4.719 -2.727 59 HG SER 9 HG SER 9 -3.405 4.181 -3.259 60 H ILE 10 H ILE 10 -3.965 4.754 -5.838 61 HA ILE 10 HA ILE 10 -4.023 2.982 -8.196 62 HB ILE 10 HB ILE 10 -4.359 4.884 -9.760 63 HG12 ILE 10 HG12 ILE 10 -5.227 6.408 -7.255 64 HG13 ILE 10 HG13 ILE 10 -3.909 6.809 -8.355 65 HG21 ILE 10 HG21 ILE 10 -6.153 3.218 -9.112 66 HG22 ILE 10 HG22 ILE 10 -6.817 4.465 -8.044 67 HG23 ILE 10 HG23 ILE 10 -6.718 4.738 -9.799 68 HD11 ILE 10 HD11 ILE 10 -5.674 7.098 -10.182 69 HD12 ILE 10 HD12 ILE 10 -6.887 6.979 -8.888 70 HD13 ILE 10 HD13 ILE 10 -5.705 8.290 -8.865 71 H CYS 11 H CYS 11 -2.208 3.034 -9.448 72 HA CYS 11 HA CYS 11 0.006 4.928 -8.727 73 HB2 CYS 11 HB2 CYS 11 0.047 1.977 -9.361 74 HB3 CYS 11 HB3 CYS 11 1.453 3.003 -9.621 75 H SER 12 H SER 12 0.991 6.007 -10.345 76 HA SER 12 HA SER 12 -0.025 5.873 -13.088 77 HB2 SER 12 HB2 SER 12 2.384 7.332 -11.971 78 HB3 SER 12 HB3 SER 12 1.688 7.524 -13.597 79 HG SER 12 HG SER 12 0.951 9.142 -12.139 80 H LEU 13 H LEU 13 1.098 5.125 -14.940 81 HA LEU 13 HA LEU 13 2.747 2.821 -14.653 82 HB2 LEU 13 HB2 LEU 13 2.514 4.722 -17.021 83 HB3 LEU 13 HB3 LEU 13 3.194 3.098 -17.078 84 HG LEU 13 HG LEU 13 0.296 3.791 -16.438 85 HD11 LEU 13 HD11 LEU 13 0.940 4.102 -18.811 86 HD12 LEU 13 HD12 LEU 13 -0.188 2.756 -18.600 87 HD13 LEU 13 HD13 LEU 13 1.540 2.432 -18.859 88 HD21 LEU 13 HD21 LEU 13 1.645 1.065 -16.720 89 HD22 LEU 13 HD22 LEU 13 -0.112 1.339 -16.637 90 HD23 LEU 13 HD23 LEU 13 0.900 1.737 -15.250 91 H TYR 14 H TYR 14 3.728 6.215 -14.808 92 HA TYR 14 HA TYR 14 6.546 5.659 -14.939 93 HB2 TYR 14 HB2 TYR 14 4.973 8.128 -14.203 94 HB3 TYR 14 HB3 TYR 14 6.728 8.064 -14.132 95 HD1 TYR 14 HD1 TYR 14 3.883 8.510 -16.316 96 HD2 TYR 14 HD2 TYR 14 8.070 7.435 -16.223 97 HE1 TYR 14 HE1 TYR 14 4.062 9.011 -18.740 98 HE2 TYR 14 HE2 TYR 14 8.240 7.939 -18.659 99 HH TYR 14 HH TYR 14 5.435 9.081 -20.575 100 H GLN 15 H GLN 15 4.389 5.498 -12.238 101 HA GLN 15 HA GLN 15 6.482 5.801 -10.182 102 HB2 GLN 15 HB2 GLN 15 3.545 5.036 -10.034 103 HB3 GLN 15 HB3 GLN 15 4.632 5.142 -8.645 104 HG2 GLN 15 HG2 GLN 15 5.145 7.471 -9.129 105 HG3 GLN 15 HG3 GLN 15 4.122 7.461 -10.561 106 HE21 GLN 15 HE21 GLN 15 4.058 8.908 -7.846 107 HE22 GLN 15 HE22 GLN 15 2.371 8.746 -7.370 108 H LEU 16 H LEU 16 4.788 3.158 -11.815 109 HA LEU 16 HA LEU 16 5.615 0.920 -10.301 110 HB2 LEU 16 HB2 LEU 16 4.778 1.491 -13.136 111 HB3 LEU 16 HB3 LEU 16 5.522 -0.061 -12.840 112 HG LEU 16 HG LEU 16 3.012 0.044 -12.842 113 HD11 LEU 16 HD11 LEU 16 2.742 -1.563 -11.011 114 HD12 LEU 16 HD12 LEU 16 4.341 -1.132 -10.374 115 HD13 LEU 16 HD13 LEU 16 4.174 -1.895 -11.976 116 HD21 LEU 16 HD21 LEU 16 2.655 2.047 -11.469 117 HD22 LEU 16 HD22 LEU 16 3.321 1.207 -10.049 118 HD23 LEU 16 HD23 LEU 16 1.826 0.640 -10.802 119 H GLU 17 H GLU 17 7.492 2.841 -12.594 120 HA GLU 17 HA GLU 17 9.705 1.133 -13.022 121 HB2 GLU 17 HB2 GLU 17 9.701 4.153 -12.633 122 HB3 GLU 17 HB3 GLU 17 11.013 3.196 -13.340 123 HG2 GLU 17 HG2 GLU 17 9.466 2.433 -15.140 124 HG3 GLU 17 HG3 GLU 17 8.212 3.508 -14.493 125 H ASN 18 H ASN 18 8.819 2.736 -10.027 126 HA ASN 18 HA ASN 18 11.398 2.738 -8.749 127 HB2 ASN 18 HB2 ASN 18 8.518 2.820 -7.744 128 HB3 ASN 18 HB3 ASN 18 9.895 2.827 -6.645 129 HD21 ASN 18 HD21 ASN 18 8.869 6.253 -8.464 130 HD22 ASN 18 HD22 ASN 18 7.962 4.750 -8.691 131 H TYR 19 H TYR 19 9.206 0.066 -9.361 132 HA TYR 19 HA TYR 19 10.353 -1.667 -7.281 133 HB2 TYR 19 HB2 TYR 19 8.621 -2.160 -9.677 134 HB3 TYR 19 HB3 TYR 19 9.139 -3.439 -8.613 135 HD1 TYR 19 HD1 TYR 19 6.726 -0.737 -9.053 136 HD2 TYR 19 HD2 TYR 19 8.373 -3.545 -6.238 137 HE1 TYR 19 HE1 TYR 19 4.566 -0.765 -7.822 138 HE2 TYR 19 HE2 TYR 19 6.217 -3.549 -4.982 139 HH TYR 19 HH TYR 19 3.987 -3.046 -5.159 140 H CYS 20 H CYS 20 11.258 -0.832 -10.534 141 HA CYS 20 HA CYS 20 12.423 -3.295 -11.261 142 HB2 CYS 20 HB2 CYS 20 12.717 -0.570 -12.519 143 HB3 CYS 20 HB3 CYS 20 13.093 -2.122 -13.274 144 H LYS 21 H LYS 21 14.440 -4.075 -11.458 145 HA LYS 21 HA LYS 21 16.688 -2.672 -10.083 146 HB2 LYS 21 HB2 LYS 21 15.390 -3.856 -8.362 147 HB3 LYS 21 HB3 LYS 21 15.512 -5.364 -9.276 148 HG2 LYS 21 HG2 LYS 21 17.972 -5.355 -8.993 149 HG3 LYS 21 HG3 LYS 21 17.867 -3.813 -8.123 150 HD2 LYS 21 HD2 LYS 21 16.411 -4.922 -6.410 151 HD3 LYS 21 HD3 LYS 21 16.636 -6.467 -7.242 152 HE2 LYS 21 HE2 LYS 21 18.851 -4.762 -6.020 153 HE3 LYS 21 HE3 LYS 21 18.107 -6.157 -5.240 154 HZ1 LYS 21 HZ1 LYS 21 18.934 -7.544 -7.079 155 HZ2 LYS 21 HZ2 LYS 21 20.168 -6.785 -6.326 156 HZ3 LYS 21 HZ3 LYS 21 19.654 -6.254 -7.778 157 H1 PHE 1 H1 PHE 1 -5.151 10.099 -13.513 158 H2 PHE 1 H2 PHE 1 -5.913 11.402 -14.169 159 H3 PHE 1 H3 PHE 1 -4.327 11.492 -13.748 160 HA PHE 1 HA PHE 1 -5.482 9.798 -15.815 161 HB2 PHE 1 HB2 PHE 1 -3.996 12.383 -16.139 162 HB3 PHE 1 HB3 PHE 1 -4.057 11.182 -17.414 163 HD1 PHE 1 HD1 PHE 1 -6.326 10.351 -18.287 164 HD2 PHE 1 HD2 PHE 1 -5.875 13.870 -15.822 165 HE1 PHE 1 HE1 PHE 1 -8.557 11.155 -19.009 166 HE2 PHE 1 HE2 PHE 1 -8.106 14.666 -16.558 167 HZ PHE 1 HZ PHE 1 -9.455 13.305 -18.151 168 H VAL 2 H VAL 2 -4.267 8.409 -17.025 169 HA VAL 2 HA VAL 2 -2.953 6.684 -17.179 170 HB VAL 2 HB VAL 2 -1.593 8.675 -18.033 171 HG11 VAL 2 HG11 VAL 2 0.400 7.661 -15.968 172 HG12 VAL 2 HG12 VAL 2 0.711 8.807 -17.279 173 HG13 VAL 2 HG13 VAL 2 -0.363 9.260 -15.959 174 HG21 VAL 2 HG21 VAL 2 -0.308 5.938 -17.714 175 HG22 VAL 2 HG22 VAL 2 -1.521 6.392 -18.931 176 HG23 VAL 2 HG23 VAL 2 0.067 7.157 -18.951 177 H ASN 3 H ASN 3 -3.832 7.191 -14.452 178 HA ASN 3 HA ASN 3 -2.057 5.292 -13.066 179 HB2 ASN 3 HB2 ASN 3 -2.942 6.329 -10.922 180 HB3 ASN 3 HB3 ASN 3 -1.773 7.218 -11.865 181 HD21 ASN 3 HD21 ASN 3 -4.023 9.811 -10.830 182 HD22 ASN 3 HD22 ASN 3 -2.694 8.831 -10.237 183 H GLN 4 H GLN 4 -2.751 3.555 -12.093 184 HA GLN 4 HA GLN 4 -5.614 2.747 -12.383 185 HB2 GLN 4 HB2 GLN 4 -3.163 1.201 -13.358 186 HB3 GLN 4 HB3 GLN 4 -4.806 0.598 -13.314 187 HG2 GLN 4 HG2 GLN 4 -4.432 1.162 -15.546 188 HG3 GLN 4 HG3 GLN 4 -5.506 2.406 -14.912 189 HE21 GLN 4 HE21 GLN 4 -1.890 2.356 -14.480 190 HE22 GLN 4 HE22 GLN 4 -1.687 3.837 -15.410 191 H HIS 5 H HIS 5 -6.275 0.997 -11.038 192 HA HIS 5 HA HIS 5 -4.695 0.566 -8.590 193 HB2 HIS 5 HB2 HIS 5 -6.579 -0.915 -7.933 194 HB3 HIS 5 HB3 HIS 5 -7.013 0.772 -8.200 195 HD1 HIS 5 HD1 HIS 5 -8.722 1.307 -10.198 196 HD2 HIS 5 HD2 HIS 5 -7.659 -2.733 -9.654 197 HE1 HIS 5 HE1 HIS 5 -10.335 -0.059 -11.631 198 H LEU 6 H LEU 6 -3.379 -1.096 -8.240 199 HA LEU 6 HA LEU 6 -3.308 -3.464 -10.049 200 HB2 LEU 6 HB2 LEU 6 -1.009 -1.525 -9.562 201 HB3 LEU 6 HB3 LEU 6 -0.841 -3.096 -10.328 202 HG LEU 6 HG LEU 6 -2.560 -0.861 -11.478 203 HD11 LEU 6 HD11 LEU 6 -0.312 -0.071 -11.381 204 HD12 LEU 6 HD12 LEU 6 -0.677 -0.516 -13.054 205 HD13 LEU 6 HD13 LEU 6 0.321 -1.590 -12.043 206 HD21 LEU 6 HD21 LEU 6 -3.154 -3.102 -12.325 207 HD22 LEU 6 HD22 LEU 6 -1.442 -3.401 -12.732 208 HD23 LEU 6 HD23 LEU 6 -2.364 -2.139 -13.572 209 H CYS 7 H CYS 7 -3.256 -5.199 -8.768 210 HA CYS 7 HA CYS 7 -1.589 -5.204 -6.302 211 HB2 CYS 7 HB2 CYS 7 -4.023 -4.516 -5.867 212 HB3 CYS 7 HB3 CYS 7 -4.470 -6.167 -6.302 213 H GLY 8 H GLY 8 -0.844 -7.358 -5.785 214 HA2 GLY 8 HA2 GLY 8 -0.182 -9.529 -6.238 215 HA3 GLY 8 HA3 GLY 8 -1.840 -9.786 -6.777 216 H SER 9 H SER 9 -1.796 -10.798 -8.686 217 HA SER 9 HA SER 9 0.358 -10.943 -10.499 218 HB2 SER 9 HB2 SER 9 -1.458 -12.580 -10.389 219 HB3 SER 9 HB3 SER 9 -2.616 -11.378 -10.972 220 HG SER 9 HG SER 9 -1.836 -12.787 -12.633 221 H HIS 10 H HIS 10 -2.422 -8.670 -10.575 222 HA HIS 10 HA HIS 10 -1.875 -7.520 -13.136 223 HB2 HIS 10 HB2 HIS 10 -3.455 -6.733 -10.696 224 HB3 HIS 10 HB3 HIS 10 -3.029 -5.461 -11.824 225 HD1 HIS 10 HD1 HIS 10 -3.938 -5.749 -14.411 226 HD2 HIS 10 HD2 HIS 10 -5.508 -8.265 -11.424 227 HE1 HIS 10 HE1 HIS 10 -6.095 -6.696 -15.351 228 H LEU 11 H LEU 11 -0.471 -6.804 -9.951 229 HA LEU 11 HA LEU 11 0.914 -4.403 -10.737 230 HB2 LEU 11 HB2 LEU 11 0.404 -5.317 -8.370 231 HB3 LEU 11 HB3 LEU 11 1.734 -6.430 -8.618 232 HG LEU 11 HG LEU 11 2.478 -4.668 -7.266 233 HD11 LEU 11 HD11 LEU 11 4.407 -3.861 -8.314 234 HD12 LEU 11 HD12 LEU 11 3.672 -3.914 -9.916 235 HD13 LEU 11 HD13 LEU 11 4.074 -5.431 -9.053 236 HD21 LEU 11 HD21 LEU 11 1.546 -2.706 -9.399 237 HD22 LEU 11 HD22 LEU 11 2.459 -2.285 -7.944 238 HD23 LEU 11 HD23 LEU 11 0.828 -2.950 -7.797 239 H VAL 12 H VAL 12 1.935 -7.856 -10.585 240 HA VAL 12 HA VAL 12 4.522 -7.395 -11.643 241 HB VAL 12 HB VAL 12 3.021 -10.003 -12.005 242 HG11 VAL 12 HG11 VAL 12 5.322 -10.957 -11.753 243 HG12 VAL 12 HG12 VAL 12 5.179 -9.909 -13.163 244 HG13 VAL 12 HG13 VAL 12 5.973 -9.304 -11.700 245 HG21 VAL 12 HG21 VAL 12 4.469 -8.979 -9.530 246 HG22 VAL 12 HG22 VAL 12 2.763 -9.453 -9.655 247 HG23 VAL 12 HG23 VAL 12 4.021 -10.679 -9.809 248 H GLU 13 H GLU 13 1.481 -8.173 -13.342 249 HA GLU 13 HA GLU 13 2.559 -8.323 -15.998 250 HB2 GLU 13 HB2 GLU 13 -0.170 -7.598 -14.894 251 HB3 GLU 13 HB3 GLU 13 0.140 -7.658 -16.620 252 HG2 GLU 13 HG2 GLU 13 0.577 -10.009 -14.728 253 HG3 GLU 13 HG3 GLU 13 -0.895 -9.723 -15.646 254 H ALA 14 H ALA 14 1.493 -5.495 -14.070 255 HA ALA 14 HA ALA 14 1.929 -3.569 -16.175 256 HB1 ALA 14 HB1 ALA 14 0.505 -3.125 -14.233 257 HB2 ALA 14 HB2 ALA 14 1.911 -3.222 -13.150 258 HB3 ALA 14 HB3 ALA 14 1.803 -1.925 -14.361 259 H LEU 15 H LEU 15 4.094 -4.723 -13.493 260 HA LEU 15 HA LEU 15 6.334 -3.078 -14.186 261 HB2 LEU 15 HB2 LEU 15 6.220 -5.873 -12.946 262 HB3 LEU 15 HB3 LEU 15 7.675 -4.888 -13.036 263 HG LEU 15 HG LEU 15 5.152 -4.064 -11.588 264 HD11 LEU 15 HD11 LEU 15 6.201 -5.968 -10.467 265 HD12 LEU 15 HD12 LEU 15 6.512 -4.496 -9.529 266 HD13 LEU 15 HD13 LEU 15 7.790 -5.180 -10.556 267 HD21 LEU 15 HD21 LEU 15 6.489 -2.130 -12.342 268 HD22 LEU 15 HD22 LEU 15 7.950 -2.864 -11.671 269 HD23 LEU 15 HD23 LEU 15 6.605 -2.338 -10.618 270 H TYR 16 H TYR 16 5.499 -6.309 -15.284 271 HA TYR 16 HA TYR 16 7.661 -6.735 -17.032 272 HB2 TYR 16 HB2 TYR 16 6.389 -8.563 -16.381 273 HB3 TYR 16 HB3 TYR 16 4.883 -7.804 -16.866 274 HD1 TYR 16 HD1 TYR 16 7.746 -9.766 -18.026 275 HD2 TYR 16 HD2 TYR 16 4.120 -7.731 -19.188 276 HE1 TYR 16 HE1 TYR 16 7.784 -10.952 -20.230 277 HE2 TYR 16 HE2 TYR 16 4.166 -8.910 -21.386 278 HH TYR 16 HH TYR 16 5.265 -10.419 -22.717 279 H LEU 17 H LEU 17 4.863 -4.737 -17.587 280 HA LEU 17 HA LEU 17 5.475 -4.356 -20.451 281 HB2 LEU 17 HB2 LEU 17 3.164 -4.690 -19.684 282 HB3 LEU 17 HB3 LEU 17 3.296 -3.322 -18.592 283 HG LEU 17 HG LEU 17 3.574 -1.773 -20.521 284 HD11 LEU 17 HD11 LEU 17 2.961 -4.268 -22.178 285 HD12 LEU 17 HD12 LEU 17 4.467 -3.319 -22.225 286 HD13 LEU 17 HD13 LEU 17 2.960 -2.598 -22.789 287 HD21 LEU 17 HD21 LEU 17 1.367 -2.169 -19.509 288 HD22 LEU 17 HD22 LEU 17 1.091 -3.539 -20.606 289 HD23 LEU 17 HD23 LEU 17 1.228 -1.883 -21.254 290 H VAL 18 H VAL 18 5.463 -2.470 -17.424 291 HA VAL 18 HA VAL 18 6.224 0.075 -18.524 292 HB VAL 18 HB VAL 18 6.263 -1.169 -15.754 293 HG11 VAL 18 HG11 VAL 18 6.670 1.077 -14.810 294 HG12 VAL 18 HG12 VAL 18 8.075 0.442 -15.650 295 HG13 VAL 18 HG13 VAL 18 7.057 1.681 -16.435 296 HG21 VAL 18 HG21 VAL 18 4.063 -0.542 -16.811 297 HG22 VAL 18 HG22 VAL 18 4.416 0.391 -15.349 298 HG23 VAL 18 HG23 VAL 18 4.644 1.124 -16.951 299 H CYS 19 H CYS 19 8.165 -2.487 -16.879 300 HA CYS 19 HA CYS 19 10.665 -1.118 -17.740 301 HB2 CYS 19 HB2 CYS 19 10.071 -3.217 -15.650 302 HB3 CYS 19 HB3 CYS 19 11.711 -2.729 -16.101 303 H GLY 20 H GLY 20 8.685 -3.625 -18.947 304 HA2 GLY 20 HA2 GLY 20 9.029 -4.902 -20.845 305 HA3 GLY 20 HA3 GLY 20 10.531 -4.008 -21.108 306 H GLU 21 H GLU 21 9.593 -6.136 -18.441 307 HA GLU 21 HA GLU 21 10.521 -7.926 -17.449 308 HB2 GLU 21 HB2 GLU 21 9.655 -8.823 -19.563 309 HB3 GLU 21 HB3 GLU 21 11.249 -8.778 -20.267 310 HG2 GLU 21 HG2 GLU 21 10.853 -10.242 -17.645 311 HG3 GLU 21 HG3 GLU 21 10.102 -10.919 -19.074 312 H ARG 22 H ARG 22 12.470 -5.567 -18.242 313 HA ARG 22 HA ARG 22 15.131 -6.475 -18.186 314 HB2 ARG 22 HB2 ARG 22 14.662 -4.200 -18.680 315 HB3 ARG 22 HB3 ARG 22 13.720 -3.990 -17.203 316 HG2 ARG 22 HG2 ARG 22 15.759 -2.743 -17.057 317 HG3 ARG 22 HG3 ARG 22 15.643 -3.966 -15.822 318 HD2 ARG 22 HD2 ARG 22 17.207 -5.412 -17.350 319 HD3 ARG 22 HD3 ARG 22 17.418 -3.952 -18.303 320 HE ARG 22 HE ARG 22 18.815 -3.098 -16.657 321 HH11 ARG 22 HH11 ARG 22 17.145 -5.794 -15.136 322 HH12 ARG 22 HH12 ARG 22 17.554 -5.231 -13.526 323 HH21 ARG 22 HH21 ARG 22 19.478 -2.600 -14.561 324 HH22 ARG 22 HH22 ARG 22 18.875 -3.584 -13.235 325 H GLY 23 H GLY 23 12.978 -6.069 -15.378 326 HA2 GLY 23 HA2 GLY 23 13.682 -7.922 -13.656 327 HA3 GLY 23 HA3 GLY 23 15.152 -6.950 -13.525 328 H PHE 24 H PHE 24 13.047 -7.609 -11.585 329 HA PHE 24 HA PHE 24 12.608 -5.140 -10.261 330 HB2 PHE 24 HB2 PHE 24 9.977 -5.557 -10.304 331 HB3 PHE 24 HB3 PHE 24 10.769 -4.490 -11.413 332 HD1 PHE 24 HD1 PHE 24 9.567 -8.030 -11.127 333 HD2 PHE 24 HD2 PHE 24 10.557 -4.740 -13.723 334 HE1 PHE 24 HE1 PHE 24 8.655 -9.287 -13.076 335 HE2 PHE 24 HE2 PHE 24 9.672 -6.004 -15.673 336 HZ PHE 24 HZ PHE 24 8.724 -8.287 -15.344 337 H PHE 25 H PHE 25 11.584 -5.198 -8.224 338 HA PHE 25 HA PHE 25 10.972 -7.899 -7.207 339 HB2 PHE 25 HB2 PHE 25 13.061 -7.771 -6.337 340 HB3 PHE 25 HB3 PHE 25 12.894 -6.070 -5.906 341 HD1 PHE 25 HD1 PHE 25 12.344 -5.447 -3.700 342 HD2 PHE 25 HD2 PHE 25 11.414 -9.437 -5.061 343 HE1 PHE 25 HE1 PHE 25 11.607 -6.056 -1.410 344 HE2 PHE 25 HE2 PHE 25 10.669 -10.039 -2.770 345 HZ PHE 25 HZ PHE 25 10.766 -8.356 -0.941 346 H TYR 26 H TYR 26 8.885 -7.868 -7.265 347 HA TYR 26 HA TYR 26 7.319 -5.768 -6.043 348 HB2 TYR 26 HB2 TYR 26 5.400 -7.375 -6.503 349 HB3 TYR 26 HB3 TYR 26 6.223 -6.567 -7.816 350 HD1 TYR 26 HD1 TYR 26 5.613 -9.834 -6.234 351 HD2 TYR 26 HD2 TYR 26 7.691 -7.760 -9.395 352 HE1 TYR 26 HE1 TYR 26 6.105 -12.012 -7.332 353 HE2 TYR 26 HE2 TYR 26 8.204 -9.955 -10.482 354 HH TYR 26 HH TYR 26 7.140 -13.069 -9.079 355 H THR 27 H THR 27 8.099 -5.578 -3.956 356 HA THR 27 HA THR 27 8.376 -7.532 -2.108 357 HB THR 27 HB THR 27 9.011 -5.168 -1.823 358 HG1 THR 27 HG1 THR 27 8.840 -5.336 0.423 359 HG21 THR 27 HG21 THR 27 6.275 -4.826 -0.521 360 HG22 THR 27 HG22 THR 27 6.712 -4.132 -2.096 361 HG23 THR 27 HG23 THR 27 7.586 -3.631 -0.639 362 HA PRO 28 HA PRO 28 4.378 -9.242 -1.348 363 HB2 PRO 28 HB2 PRO 28 4.894 -10.960 0.717 364 HB3 PRO 28 HB3 PRO 28 5.521 -11.215 -0.937 365 HG2 PRO 28 HG2 PRO 28 6.951 -9.928 1.414 366 HG3 PRO 28 HG3 PRO 28 7.543 -11.240 0.338 367 HD2 PRO 28 HD2 PRO 28 8.220 -8.650 -0.078 368 HD3 PRO 28 HD3 PRO 28 7.882 -9.745 -1.454 369 H LYS 29 H LYS 29 5.962 -7.284 1.050 370 HA LYS 29 HA LYS 29 3.365 -6.557 2.247 371 HB2 LYS 29 HB2 LYS 29 4.255 -8.476 3.600 372 HB3 LYS 29 HB3 LYS 29 5.712 -7.557 3.923 373 HG2 LYS 29 HG2 LYS 29 4.232 -7.482 5.836 374 HG3 LYS 29 HG3 LYS 29 4.431 -5.872 5.176 375 HD2 LYS 29 HD2 LYS 29 2.102 -6.306 5.867 376 HD3 LYS 29 HD3 LYS 29 2.213 -5.935 4.155 377 HE2 LYS 29 HE2 LYS 29 0.627 -7.713 4.447 378 HE3 LYS 29 HE3 LYS 29 2.029 -8.354 3.595 379 HZ1 LYS 29 HZ1 LYS 29 1.275 -9.843 5.376 380 HZ2 LYS 29 HZ2 LYS 29 1.496 -8.690 6.510 381 HZ3 LYS 29 HZ3 LYS 29 2.781 -9.323 5.717 382 H THR 30 H THR 30 3.239 -4.431 2.445 383 HA THR 30 HA THR 30 5.212 -2.726 1.501 384 HB THR 30 HB THR 30 2.696 -2.383 1.656 385 HG1 THR 30 HG1 THR 30 3.055 -0.158 1.538 386 HG21 THR 30 HG21 THR 30 2.555 -2.419 4.190 387 HG22 THR 30 HG22 THR 30 1.859 -0.980 3.437 388 HG23 THR 30 HG23 THR 30 3.448 -0.875 4.207 389 H LYS 31 H LYS 31 4.990 -3.762 4.771 390 HA LYS 31 HA LYS 31 6.469 -1.597 6.006 391 HB2 LYS 31 HB2 LYS 31 5.998 -4.467 6.923 392 HB3 LYS 31 HB3 LYS 31 6.616 -3.168 7.929 393 HG2 LYS 31 HG2 LYS 31 3.820 -3.308 6.711 394 HG3 LYS 31 HG3 LYS 31 4.272 -3.585 8.396 395 HD2 LYS 31 HD2 LYS 31 5.177 -1.198 8.448 396 HD3 LYS 31 HD3 LYS 31 4.399 -0.941 6.878 397 HE2 LYS 31 HE2 LYS 31 3.012 -1.792 9.465 398 HE3 LYS 31 HE3 LYS 31 3.055 -0.144 8.830 399 HZ1 LYS 31 HZ1 LYS 31 1.832 -0.925 6.872 400 HZ2 LYS 31 HZ2 LYS 31 0.993 -1.232 8.233 401 HZ3 LYS 31 HZ3 LYS 31 1.760 -2.450 7.471 402 H ARG 32 H ARG 32 7.555 -4.303 4.125 403 HA ARG 32 HA ARG 32 10.257 -4.324 5.325 404 HB2 ARG 32 HB2 ARG 32 9.116 -6.441 4.804 405 HB3 ARG 32 HB3 ARG 32 9.104 -6.017 3.082 406 HG2 ARG 32 HG2 ARG 32 11.552 -6.021 3.010 407 HG3 ARG 32 HG3 ARG 32 11.640 -6.222 4.769 408 HD2 ARG 32 HD2 ARG 32 10.460 -8.436 4.520 409 HD3 ARG 32 HD3 ARG 32 10.529 -8.231 2.771 410 HE ARG 32 HE ARG 32 12.810 -8.703 2.779 411 HH11 ARG 32 HH11 ARG 32 11.806 -8.422 6.135 412 HH12 ARG 32 HH12 ARG 32 13.309 -9.076 6.724 413 HH21 ARG 32 HH21 ARG 32 14.692 -9.511 3.608 414 HH22 ARG 32 HH22 ARG 32 14.899 -9.668 5.329 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 3.754 2.576 0.215 2 H2 GLY 1 H2 GLY 1 3.832 4.022 -0.551 3 H3 GLY 1 H3 GLY 1 5.097 3.512 0.351 4 HA2 GLY 1 HA2 GLY 1 5.577 3.244 -2.000 5 HA3 GLY 1 HA3 GLY 1 5.545 1.694 -1.149 6 H ILE 2 H ILE 2 5.167 1.982 -3.958 7 HA ILE 2 HA ILE 2 2.500 2.384 -4.709 8 HB ILE 2 HB ILE 2 4.577 2.516 -6.108 9 HG12 ILE 2 HG12 ILE 2 2.615 0.973 -7.767 10 HG13 ILE 2 HG13 ILE 2 1.918 2.262 -6.788 11 HG21 ILE 2 HG21 ILE 2 4.090 -0.472 -6.608 12 HG22 ILE 2 HG22 ILE 2 5.287 0.567 -7.399 13 HG23 ILE 2 HG23 ILE 2 5.437 0.181 -5.679 14 HD11 ILE 2 HD11 ILE 2 3.434 3.903 -7.669 15 HD12 ILE 2 HD12 ILE 2 4.249 2.670 -8.671 16 HD13 ILE 2 HD13 ILE 2 2.551 3.102 -8.984 17 H VAL 3 H VAL 3 3.978 -0.640 -3.702 18 HA VAL 3 HA VAL 3 2.020 -2.468 -4.631 19 HB VAL 3 HB VAL 3 3.578 -2.628 -2.048 20 HG11 VAL 3 HG11 VAL 3 3.469 -5.083 -2.404 21 HG12 VAL 3 HG12 VAL 3 1.863 -4.383 -2.185 22 HG13 VAL 3 HG13 VAL 3 2.424 -4.824 -3.819 23 HG21 VAL 3 HG21 VAL 3 5.304 -3.872 -3.276 24 HG22 VAL 3 HG22 VAL 3 4.449 -3.570 -4.798 25 HG23 VAL 3 HG23 VAL 3 5.166 -2.226 -3.894 26 H GLU 4 H GLU 4 1.929 -0.265 -1.874 27 HA GLU 4 HA GLU 4 -0.785 -1.211 -1.085 28 HB2 GLU 4 HB2 GLU 4 0.835 -0.657 0.681 29 HB3 GLU 4 HB3 GLU 4 0.960 0.996 0.064 30 HG2 GLU 4 HG2 GLU 4 -1.423 1.386 0.531 31 HG3 GLU 4 HG3 GLU 4 -1.618 -0.288 1.056 32 H GLN 5 H GLN 5 0.828 1.748 -2.462 33 HA GLN 5 HA GLN 5 -1.528 3.304 -2.352 34 HB2 GLN 5 HB2 GLN 5 0.757 4.200 -2.472 35 HB3 GLN 5 HB3 GLN 5 0.894 3.680 -4.152 36 HG2 GLN 5 HG2 GLN 5 -1.276 5.595 -3.178 37 HG3 GLN 5 HG3 GLN 5 0.313 6.144 -3.684 38 HE21 GLN 5 HE21 GLN 5 -2.396 6.703 -4.891 39 HE22 GLN 5 HE22 GLN 5 -2.263 6.142 -6.555 40 H CYS 6 H CYS 6 -0.249 1.351 -5.091 41 HA CYS 6 HA CYS 6 -2.362 2.203 -6.898 42 HB2 CYS 6 HB2 CYS 6 0.034 1.279 -7.398 43 HB3 CYS 6 HB3 CYS 6 -0.722 -0.301 -7.210 44 H CYS 7 H CYS 7 -2.121 -0.247 -4.396 45 HA CYS 7 HA CYS 7 -4.277 -1.933 -5.445 46 HB2 CYS 7 HB2 CYS 7 -2.474 -2.833 -3.994 47 HB3 CYS 7 HB3 CYS 7 -2.972 -1.763 -2.692 48 H THR 8 H THR 8 -3.892 0.518 -2.864 49 HA THR 8 HA THR 8 -6.716 0.546 -2.225 50 HB THR 8 HB THR 8 -4.774 0.771 -0.619 51 HG1 THR 8 HG1 THR 8 -6.057 1.970 0.745 52 HG21 THR 8 HG21 THR 8 -3.995 2.980 -0.061 53 HG22 THR 8 HG22 THR 8 -5.048 3.745 -1.274 54 HG23 THR 8 HG23 THR 8 -3.677 2.739 -1.782 55 H SER 9 H SER 9 -4.831 2.453 -4.399 56 HA SER 9 HA SER 9 -7.204 3.989 -5.240 57 HB2 SER 9 HB2 SER 9 -5.998 5.317 -3.431 58 HB3 SER 9 HB3 SER 9 -4.589 5.361 -4.509 59 HG SER 9 HG SER 9 -7.121 6.591 -4.765 60 H ILE 10 H ILE 10 -6.343 5.468 -7.215 61 HA ILE 10 HA ILE 10 -5.266 3.559 -9.152 62 HB ILE 10 HB ILE 10 -5.567 5.370 -10.801 63 HG12 ILE 10 HG12 ILE 10 -6.556 7.011 -8.425 64 HG13 ILE 10 HG13 ILE 10 -5.186 7.359 -9.476 65 HG21 ILE 10 HG21 ILE 10 -7.346 3.694 -10.145 66 HG22 ILE 10 HG22 ILE 10 -8.051 4.933 -9.091 67 HG23 ILE 10 HG23 ILE 10 -7.964 5.183 -10.852 68 HD11 ILE 10 HD11 ILE 10 -8.134 7.447 -10.199 69 HD12 ILE 10 HD12 ILE 10 -6.974 8.784 -10.149 70 HD13 ILE 10 HD13 ILE 10 -6.835 7.535 -11.408 71 H CYS 11 H CYS 11 -3.382 3.636 -10.328 72 HA CYS 11 HA CYS 11 -1.377 5.736 -9.750 73 HB2 CYS 11 HB2 CYS 11 0.306 4.312 -9.174 74 HB3 CYS 11 HB3 CYS 11 -1.036 3.623 -8.305 75 H SER 12 H SER 12 0.656 4.970 -11.368 76 HA SER 12 HA SER 12 -0.385 4.273 -14.029 77 HB2 SER 12 HB2 SER 12 -0.900 6.668 -13.808 78 HB3 SER 12 HB3 SER 12 0.807 7.004 -13.475 79 HG SER 12 HG SER 12 0.089 7.302 -15.709 80 H LEU 13 H LEU 13 1.351 4.387 -15.670 81 HA LEU 13 HA LEU 13 3.413 2.552 -15.030 82 HB2 LEU 13 HB2 LEU 13 3.367 4.471 -17.383 83 HB3 LEU 13 HB3 LEU 13 4.170 2.914 -17.302 84 HG LEU 13 HG LEU 13 1.154 3.415 -17.357 85 HD11 LEU 13 HD11 LEU 13 1.270 2.352 -19.565 86 HD12 LEU 13 HD12 LEU 13 3.028 2.167 -19.409 87 HD13 LEU 13 HD13 LEU 13 2.302 3.788 -19.502 88 HD21 LEU 13 HD21 LEU 13 1.670 1.347 -16.046 89 HD22 LEU 13 HD22 LEU 13 2.620 0.737 -17.412 90 HD23 LEU 13 HD23 LEU 13 0.871 0.992 -17.578 91 H TYR 14 H TYR 14 3.576 6.110 -15.339 92 HA TYR 14 HA TYR 14 6.400 6.403 -15.122 93 HB2 TYR 14 HB2 TYR 14 4.690 8.139 -15.831 94 HB3 TYR 14 HB3 TYR 14 4.208 8.263 -14.137 95 HD1 TYR 14 HD1 TYR 14 7.247 8.502 -16.328 96 HD2 TYR 14 HD2 TYR 14 5.228 9.909 -12.783 97 HE1 TYR 14 HE1 TYR 14 9.053 10.184 -15.963 98 HE2 TYR 14 HE2 TYR 14 7.017 11.603 -12.434 99 HH TYR 14 HH TYR 14 8.993 12.483 -13.210 100 H GLN 15 H GLN 15 3.912 5.915 -12.611 101 HA GLN 15 HA GLN 15 5.698 6.598 -10.404 102 HB2 GLN 15 HB2 GLN 15 3.029 5.120 -10.387 103 HB3 GLN 15 HB3 GLN 15 3.877 5.756 -8.985 104 HG2 GLN 15 HG2 GLN 15 2.692 7.431 -11.239 105 HG3 GLN 15 HG3 GLN 15 2.012 7.201 -9.634 106 HE21 GLN 15 HE21 GLN 15 3.528 7.907 -7.734 107 HE22 GLN 15 HE22 GLN 15 4.530 9.322 -8.046 108 H LEU 16 H LEU 16 4.627 3.658 -12.060 109 HA LEU 16 HA LEU 16 5.867 1.732 -10.293 110 HB2 LEU 16 HB2 LEU 16 4.845 1.644 -13.161 111 HB3 LEU 16 HB3 LEU 16 5.435 0.218 -12.339 112 HG LEU 16 HG LEU 16 3.142 1.883 -11.211 113 HD11 LEU 16 HD11 LEU 16 2.484 1.173 -13.436 114 HD12 LEU 16 HD12 LEU 16 1.643 0.190 -12.236 115 HD13 LEU 16 HD13 LEU 16 3.039 -0.488 -13.106 116 HD21 LEU 16 HD21 LEU 16 3.909 -1.049 -10.824 117 HD22 LEU 16 HD22 LEU 16 2.571 -0.184 -10.035 118 HD23 LEU 16 HD23 LEU 16 4.252 0.244 -9.657 119 H GLU 17 H GLU 17 7.100 3.508 -13.113 120 HA GLU 17 HA GLU 17 9.470 2.113 -13.694 121 HB2 GLU 17 HB2 GLU 17 8.835 5.073 -13.586 122 HB3 GLU 17 HB3 GLU 17 10.404 4.513 -14.113 123 HG2 GLU 17 HG2 GLU 17 7.837 3.597 -15.460 124 HG3 GLU 17 HG3 GLU 17 8.668 5.079 -15.893 125 H ASN 18 H ASN 18 8.753 3.765 -10.725 126 HA ASN 18 HA ASN 18 11.460 4.374 -9.905 127 HB2 ASN 18 HB2 ASN 18 8.783 4.207 -8.459 128 HB3 ASN 18 HB3 ASN 18 10.278 4.659 -7.646 129 HD21 ASN 18 HD21 ASN 18 7.662 5.848 -9.378 130 HD22 ASN 18 HD22 ASN 18 8.314 7.454 -9.728 131 H TYR 19 H TYR 19 9.673 1.408 -9.913 132 HA TYR 19 HA TYR 19 11.262 0.277 -7.703 133 HB2 TYR 19 HB2 TYR 19 8.691 -0.556 -8.986 134 HB3 TYR 19 HB3 TYR 19 9.579 -1.593 -7.875 135 HD1 TYR 19 HD1 TYR 19 7.881 1.710 -8.191 136 HD2 TYR 19 HD2 TYR 19 9.555 -1.207 -5.496 137 HE1 TYR 19 HE1 TYR 19 6.964 2.976 -6.267 138 HE2 TYR 19 HE2 TYR 19 8.609 0.050 -3.559 139 HH TYR 19 HH TYR 19 7.714 2.093 -2.906 140 H CYS 20 H CYS 20 11.188 0.007 -11.077 141 HA CYS 20 HA CYS 20 12.329 -2.486 -11.650 142 HB2 CYS 20 HB2 CYS 20 11.290 -0.824 -13.175 143 HB3 CYS 20 HB3 CYS 20 12.674 0.237 -12.949 144 H LYS 21 H LYS 21 14.220 -3.385 -11.029 145 HA LYS 21 HA LYS 21 16.741 -1.926 -11.150 146 HB2 LYS 21 HB2 LYS 21 15.975 -1.326 -8.884 147 HB3 LYS 21 HB3 LYS 21 15.732 -3.030 -8.497 148 HG2 LYS 21 HG2 LYS 21 17.767 -2.248 -7.473 149 HG3 LYS 21 HG3 LYS 21 18.176 -3.434 -8.706 150 HD2 LYS 21 HD2 LYS 21 18.772 -1.596 -10.280 151 HD3 LYS 21 HD3 LYS 21 18.355 -0.399 -9.053 152 HE2 LYS 21 HE2 LYS 21 20.541 -2.527 -8.823 153 HE3 LYS 21 HE3 LYS 21 20.813 -0.847 -9.283 154 HZ1 LYS 21 HZ1 LYS 21 19.972 -0.178 -7.091 155 HZ2 LYS 21 HZ2 LYS 21 21.269 -1.151 -6.943 156 HZ3 LYS 21 HZ3 LYS 21 19.783 -1.740 -6.645 157 H1 PHE 1 H1 PHE 1 -2.153 7.693 -21.592 158 H2 PHE 1 H2 PHE 1 -1.019 6.610 -22.043 159 H3 PHE 1 H3 PHE 1 -0.818 7.483 -20.666 160 HA PHE 1 HA PHE 1 -2.901 5.512 -21.176 161 HB2 PHE 1 HB2 PHE 1 -0.348 5.168 -19.628 162 HB3 PHE 1 HB3 PHE 1 -1.770 4.203 -19.283 163 HD1 PHE 1 HD1 PHE 1 0.993 4.687 -21.623 164 HD2 PHE 1 HD2 PHE 1 -2.818 2.740 -21.031 165 HE1 PHE 1 HE1 PHE 1 1.492 3.123 -23.488 166 HE2 PHE 1 HE2 PHE 1 -2.304 1.176 -22.901 167 HZ PHE 1 HZ PHE 1 -0.156 1.372 -24.125 168 H VAL 2 H VAL 2 -4.491 5.049 -19.712 169 HA VAL 2 HA VAL 2 -5.182 7.264 -17.970 170 HB VAL 2 HB VAL 2 -6.800 5.990 -19.394 171 HG11 VAL 2 HG11 VAL 2 -7.873 4.000 -18.505 172 HG12 VAL 2 HG12 VAL 2 -6.150 3.670 -18.727 173 HG13 VAL 2 HG13 VAL 2 -6.798 3.983 -17.097 174 HG21 VAL 2 HG21 VAL 2 -7.481 7.596 -17.655 175 HG22 VAL 2 HG22 VAL 2 -8.643 6.267 -17.858 176 HG23 VAL 2 HG23 VAL 2 -7.547 6.272 -16.462 177 H ASN 3 H ASN 3 -5.345 7.384 -15.751 178 HA ASN 3 HA ASN 3 -3.579 5.702 -14.190 179 HB2 ASN 3 HB2 ASN 3 -5.599 7.836 -13.373 180 HB3 ASN 3 HB3 ASN 3 -4.504 7.016 -12.261 181 HD21 ASN 3 HD21 ASN 3 -4.145 9.503 -11.968 182 HD22 ASN 3 HD22 ASN 3 -2.799 10.135 -12.903 183 H GLN 4 H GLN 4 -4.043 3.949 -12.958 184 HA GLN 4 HA GLN 4 -6.821 3.008 -12.553 185 HB2 GLN 4 HB2 GLN 4 -6.485 0.993 -13.845 186 HB3 GLN 4 HB3 GLN 4 -6.228 2.418 -14.856 187 HG2 GLN 4 HG2 GLN 4 -3.680 2.075 -14.357 188 HG3 GLN 4 HG3 GLN 4 -4.160 0.470 -13.796 189 HE21 GLN 4 HE21 GLN 4 -4.278 2.703 -16.644 190 HE22 GLN 4 HE22 GLN 4 -4.421 1.390 -17.813 191 H HIS 5 H HIS 5 -7.015 1.221 -11.091 192 HA HIS 5 HA HIS 5 -4.753 1.006 -9.196 193 HB2 HIS 5 HB2 HIS 5 -6.485 0.007 -7.694 194 HB3 HIS 5 HB3 HIS 5 -6.752 1.676 -8.166 195 HD1 HIS 5 HD1 HIS 5 -8.997 2.218 -9.503 196 HD2 HIS 5 HD2 HIS 5 -8.245 -1.852 -8.715 197 HE1 HIS 5 HE1 HIS 5 -11.126 0.965 -10.106 198 H LEU 6 H LEU 6 -3.552 -0.781 -8.916 199 HA LEU 6 HA LEU 6 -4.448 -3.431 -9.919 200 HB2 LEU 6 HB2 LEU 6 -1.579 -2.423 -10.058 201 HB3 LEU 6 HB3 LEU 6 -2.185 -3.989 -10.528 202 HG LEU 6 HG LEU 6 -1.670 -2.989 -12.459 203 HD11 LEU 6 HD11 LEU 6 -4.599 -2.278 -12.449 204 HD12 LEU 6 HD12 LEU 6 -3.992 -3.942 -12.572 205 HD13 LEU 6 HD13 LEU 6 -3.592 -2.743 -13.816 206 HD21 LEU 6 HD21 LEU 6 -2.155 -0.775 -13.235 207 HD22 LEU 6 HD22 LEU 6 -1.297 -0.735 -11.693 208 HD23 LEU 6 HD23 LEU 6 -3.043 -0.407 -11.739 209 H CYS 7 H CYS 7 -4.092 -5.058 -8.423 210 HA CYS 7 HA CYS 7 -2.360 -4.475 -6.059 211 HB2 CYS 7 HB2 CYS 7 -4.878 -4.136 -5.662 212 HB3 CYS 7 HB3 CYS 7 -5.052 -5.876 -5.875 213 H GLY 8 H GLY 8 -1.272 -6.244 -5.186 214 HA2 GLY 8 HA2 GLY 8 -0.186 -8.275 -5.169 215 HA3 GLY 8 HA3 GLY 8 -1.731 -8.972 -5.661 216 H SER 9 H SER 9 -1.448 -10.276 -7.345 217 HA SER 9 HA SER 9 0.773 -10.432 -9.060 218 HB2 SER 9 HB2 SER 9 -0.841 -12.240 -8.657 219 HB3 SER 9 HB3 SER 9 -2.085 -11.331 -9.538 220 HG SER 9 HG SER 9 -1.027 -12.938 -10.824 221 H HIS 10 H HIS 10 -2.222 -8.514 -9.540 222 HA HIS 10 HA HIS 10 -1.737 -7.784 -12.278 223 HB2 HIS 10 HB2 HIS 10 -3.246 -6.388 -10.033 224 HB3 HIS 10 HB3 HIS 10 -3.213 -5.842 -11.704 225 HD1 HIS 10 HD1 HIS 10 -4.417 -7.433 -13.558 226 HD2 HIS 10 HD2 HIS 10 -5.027 -8.311 -9.486 227 HE1 HIS 10 HE1 HIS 10 -6.493 -8.876 -13.451 228 H LEU 11 H LEU 11 -0.570 -6.354 -9.211 229 HA LEU 11 HA LEU 11 0.652 -4.049 -10.522 230 HB2 LEU 11 HB2 LEU 11 -0.137 -3.983 -8.208 231 HB3 LEU 11 HB3 LEU 11 1.018 -5.221 -7.742 232 HG LEU 11 HG LEU 11 2.424 -3.045 -9.144 233 HD11 LEU 11 HD11 LEU 11 0.767 -2.221 -6.744 234 HD12 LEU 11 HD12 LEU 11 0.578 -1.663 -8.431 235 HD13 LEU 11 HD13 LEU 11 2.047 -1.264 -7.527 236 HD21 LEU 11 HD21 LEU 11 3.495 -4.653 -7.616 237 HD22 LEU 11 HD22 LEU 11 2.537 -4.023 -6.267 238 HD23 LEU 11 HD23 LEU 11 3.734 -2.980 -7.078 239 H VAL 12 H VAL 12 1.848 -7.248 -9.372 240 HA VAL 12 HA VAL 12 4.581 -6.802 -10.165 241 HB VAL 12 HB VAL 12 3.034 -9.424 -10.047 242 HG11 VAL 12 HG11 VAL 12 6.041 -8.915 -10.011 243 HG12 VAL 12 HG12 VAL 12 5.255 -10.483 -9.751 244 HG13 VAL 12 HG13 VAL 12 5.138 -9.702 -11.326 245 HG21 VAL 12 HG21 VAL 12 4.786 -8.062 -7.954 246 HG22 VAL 12 HG22 VAL 12 3.032 -8.280 -7.864 247 HG23 VAL 12 HG23 VAL 12 4.090 -9.694 -7.818 248 H GLU 13 H GLU 13 1.768 -8.031 -12.016 249 HA GLU 13 HA GLU 13 3.136 -8.431 -14.499 250 HB2 GLU 13 HB2 GLU 13 0.915 -9.345 -13.976 251 HB3 GLU 13 HB3 GLU 13 0.252 -7.720 -13.884 252 HG2 GLU 13 HG2 GLU 13 -0.425 -8.615 -15.948 253 HG3 GLU 13 HG3 GLU 13 0.756 -7.372 -16.306 254 H ALA 14 H ALA 14 1.618 -5.470 -13.100 255 HA ALA 14 HA ALA 14 2.081 -3.835 -15.412 256 HB1 ALA 14 HB1 ALA 14 0.421 -3.367 -13.619 257 HB2 ALA 14 HB2 ALA 14 1.754 -3.011 -12.501 258 HB3 ALA 14 HB3 ALA 14 1.494 -2.002 -13.937 259 H LEU 15 H LEU 15 4.032 -4.311 -12.407 260 HA LEU 15 HA LEU 15 6.246 -2.626 -13.104 261 HB2 LEU 15 HB2 LEU 15 6.125 -5.239 -11.526 262 HB3 LEU 15 HB3 LEU 15 7.550 -4.212 -11.631 263 HG LEU 15 HG LEU 15 4.925 -3.230 -10.526 264 HD11 LEU 15 HD11 LEU 15 5.956 -3.554 -8.279 265 HD12 LEU 15 HD12 LEU 15 7.351 -4.344 -9.039 266 HD13 LEU 15 HD13 LEU 15 5.738 -5.091 -9.129 267 HD21 LEU 15 HD21 LEU 15 6.374 -1.507 -9.479 268 HD22 LEU 15 HD22 LEU 15 6.496 -1.464 -11.241 269 HD23 LEU 15 HD23 LEU 15 7.790 -2.221 -10.292 270 H TYR 16 H TYR 16 5.687 -6.067 -13.753 271 HA TYR 16 HA TYR 16 7.965 -6.611 -15.301 272 HB2 TYR 16 HB2 TYR 16 6.792 -8.442 -14.534 273 HB3 TYR 16 HB3 TYR 16 5.254 -7.836 -15.121 274 HD1 TYR 16 HD1 TYR 16 4.554 -8.012 -17.452 275 HD2 TYR 16 HD2 TYR 16 8.241 -9.744 -16.027 276 HE1 TYR 16 HE1 TYR 16 4.696 -9.389 -19.520 277 HE2 TYR 16 HE2 TYR 16 8.368 -11.147 -18.085 278 HH TYR 16 HH TYR 16 5.889 -10.991 -20.674 279 H LEU 17 H LEU 17 5.002 -5.109 -16.429 280 HA LEU 17 HA LEU 17 5.757 -5.206 -19.248 281 HB2 LEU 17 HB2 LEU 17 3.476 -5.422 -18.526 282 HB3 LEU 17 HB3 LEU 17 3.502 -3.897 -17.664 283 HG LEU 17 HG LEU 17 4.061 -3.851 -20.643 284 HD11 LEU 17 HD11 LEU 17 1.651 -3.706 -21.103 285 HD12 LEU 17 HD12 LEU 17 1.289 -4.054 -19.393 286 HD13 LEU 17 HD13 LEU 17 2.068 -5.280 -20.412 287 HD21 LEU 17 HD21 LEU 17 4.172 -1.702 -19.380 288 HD22 LEU 17 HD22 LEU 17 2.535 -1.973 -18.761 289 HD23 LEU 17 HD23 LEU 17 2.810 -1.701 -20.488 290 H VAL 18 H VAL 18 5.704 -2.772 -16.672 291 HA VAL 18 HA VAL 18 6.593 -0.504 -18.205 292 HB VAL 18 HB VAL 18 6.481 -1.259 -15.252 293 HG11 VAL 18 HG11 VAL 18 7.472 1.361 -16.398 294 HG12 VAL 18 HG12 VAL 18 6.955 1.105 -14.709 295 HG13 VAL 18 HG13 VAL 18 8.357 0.237 -15.328 296 HG21 VAL 18 HG21 VAL 18 4.366 -0.733 -16.480 297 HG22 VAL 18 HG22 VAL 18 4.716 0.448 -15.215 298 HG23 VAL 18 HG23 VAL 18 5.035 0.851 -16.915 299 H CYS 19 H CYS 19 8.346 -2.738 -15.994 300 HA CYS 19 HA CYS 19 10.944 -1.571 -16.579 301 HB2 CYS 19 HB2 CYS 19 10.133 -2.471 -14.383 302 HB3 CYS 19 HB3 CYS 19 10.101 -4.080 -15.090 303 H GLY 20 H GLY 20 9.128 -4.399 -17.769 304 HA2 GLY 20 HA2 GLY 20 9.454 -5.542 -19.748 305 HA3 GLY 20 HA3 GLY 20 10.934 -4.635 -20.057 306 H GLU 21 H GLU 21 9.823 -6.953 -17.563 307 HA GLU 21 HA GLU 21 10.742 -8.730 -16.530 308 HB2 GLU 21 HB2 GLU 21 10.277 -9.749 -18.633 309 HB3 GLU 21 HB3 GLU 21 11.768 -9.187 -19.330 310 HG2 GLU 21 HG2 GLU 21 11.797 -11.554 -18.971 311 HG3 GLU 21 HG3 GLU 21 13.085 -10.758 -18.097 312 H ARG 22 H ARG 22 12.717 -6.255 -17.135 313 HA ARG 22 HA ARG 22 15.340 -7.170 -16.506 314 HB2 ARG 22 HB2 ARG 22 15.005 -5.200 -17.712 315 HB3 ARG 22 HB3 ARG 22 13.890 -4.530 -16.532 316 HG2 ARG 22 HG2 ARG 22 15.724 -4.142 -14.945 317 HG3 ARG 22 HG3 ARG 22 16.886 -4.806 -16.120 318 HD2 ARG 22 HD2 ARG 22 15.040 -2.421 -16.646 319 HD3 ARG 22 HD3 ARG 22 16.686 -2.273 -16.041 320 HE ARG 22 HE ARG 22 17.584 -2.974 -18.091 321 HH11 ARG 22 HH11 ARG 22 14.045 -2.866 -18.453 322 HH12 ARG 22 HH12 ARG 22 14.190 -2.594 -20.157 323 HH21 ARG 22 HH21 ARG 22 17.617 -2.747 -20.264 324 HH22 ARG 22 HH22 ARG 22 16.132 -2.599 -21.161 325 H GLY 23 H GLY 23 12.698 -6.713 -14.340 326 HA2 GLY 23 HA2 GLY 23 12.731 -7.711 -12.168 327 HA3 GLY 23 HA3 GLY 23 14.454 -7.421 -12.024 328 H PHE 24 H PHE 24 12.832 -6.817 -9.979 329 HA PHE 24 HA PHE 24 12.987 -4.018 -9.442 330 HB2 PHE 24 HB2 PHE 24 10.427 -3.918 -8.903 331 HB3 PHE 24 HB3 PHE 24 10.997 -3.637 -10.529 332 HD1 PHE 24 HD1 PHE 24 10.185 -4.855 -12.332 333 HD2 PHE 24 HD2 PHE 24 9.752 -6.375 -8.332 334 HE1 PHE 24 HE1 PHE 24 8.809 -6.752 -13.204 335 HE2 PHE 24 HE2 PHE 24 8.313 -8.229 -9.188 336 HZ PHE 24 HZ PHE 24 7.844 -8.411 -11.637 337 H PHE 25 H PHE 25 12.224 -3.376 -7.267 338 HA PHE 25 HA PHE 25 12.717 -5.635 -5.417 339 HB2 PHE 25 HB2 PHE 25 13.594 -3.899 -3.842 340 HB3 PHE 25 HB3 PHE 25 14.496 -4.363 -5.276 341 HD1 PHE 25 HD1 PHE 25 15.800 -2.562 -5.989 342 HD2 PHE 25 HD2 PHE 25 11.746 -1.831 -4.733 343 HE1 PHE 25 HE1 PHE 25 16.028 -0.168 -6.626 344 HE2 PHE 25 HE2 PHE 25 11.975 0.557 -5.369 345 HZ PHE 25 HZ PHE 25 14.114 1.386 -6.324 346 H TYR 26 H TYR 26 9.998 -3.824 -6.017 347 HA TYR 26 HA TYR 26 8.173 -3.319 -4.739 348 HB2 TYR 26 HB2 TYR 26 6.976 -5.436 -4.077 349 HB3 TYR 26 HB3 TYR 26 7.460 -5.179 -5.731 350 HD1 TYR 26 HD1 TYR 26 9.058 -6.714 -2.661 351 HD2 TYR 26 HD2 TYR 26 8.100 -7.116 -6.846 352 HE1 TYR 26 HE1 TYR 26 10.047 -8.978 -2.669 353 HE2 TYR 26 HE2 TYR 26 9.134 -9.381 -6.862 354 HH TYR 26 HH TYR 26 10.234 -10.981 -5.637 355 H THR 27 H THR 27 9.953 -2.266 -3.105 356 HA THR 27 HA THR 27 10.522 -3.229 -0.746 357 HB THR 27 HB THR 27 11.206 -1.287 0.078 358 HG1 THR 27 HG1 THR 27 10.231 0.692 -0.300 359 HG21 THR 27 HG21 THR 27 12.040 0.125 -1.698 360 HG22 THR 27 HG22 THR 27 10.824 -0.470 -2.836 361 HG23 THR 27 HG23 THR 27 12.110 -1.556 -2.244 362 HA PRO 28 HA PRO 28 6.755 -2.215 1.941 363 HB2 PRO 28 HB2 PRO 28 4.502 -2.729 0.025 364 HB3 PRO 28 HB3 PRO 28 4.594 -1.559 1.375 365 HG2 PRO 28 HG2 PRO 28 4.854 -0.690 -1.172 366 HG3 PRO 28 HG3 PRO 28 5.964 -0.072 0.101 367 HD2 PRO 28 HD2 PRO 28 6.469 -2.316 -1.883 368 HD3 PRO 28 HD3 PRO 28 7.493 -0.900 -1.514 369 H LYS 29 H LYS 29 6.873 -4.726 -0.534 370 HA LYS 29 HA LYS 29 5.250 -6.692 0.913 371 HB2 LYS 29 HB2 LYS 29 5.200 -6.696 -1.492 372 HB3 LYS 29 HB3 LYS 29 6.956 -6.794 -1.591 373 HG2 LYS 29 HG2 LYS 29 5.988 -8.917 -2.168 374 HG3 LYS 29 HG3 LYS 29 6.950 -9.076 -0.702 375 HD2 LYS 29 HD2 LYS 29 4.859 -9.045 0.667 376 HD3 LYS 29 HD3 LYS 29 3.905 -8.856 -0.820 377 HE2 LYS 29 HE2 LYS 29 4.814 -11.007 -1.675 378 HE3 LYS 29 HE3 LYS 29 5.789 -11.182 -0.206 379 HZ1 LYS 29 HZ1 LYS 29 2.812 -11.111 -0.264 380 HZ2 LYS 29 HZ2 LYS 29 3.724 -11.300 1.078 381 HZ3 LYS 29 HZ3 LYS 29 3.717 -12.457 -0.074 382 H THR 30 H THR 30 5.919 -7.773 2.607 383 HA THR 30 HA THR 30 8.733 -8.230 3.200 384 HB THR 30 HB THR 30 6.960 -7.773 4.928 385 HG1 THR 30 HG1 THR 30 8.133 -8.985 6.379 386 HG21 THR 30 HG21 THR 30 5.859 -9.680 5.946 387 HG22 THR 30 HG22 THR 30 6.536 -10.796 4.744 388 HG23 THR 30 HG23 THR 30 5.340 -9.573 4.262 389 H LYS 31 H LYS 31 9.643 -10.324 3.747 390 HA LYS 31 HA LYS 31 8.767 -12.590 2.020 391 HB2 LYS 31 HB2 LYS 31 11.620 -11.522 2.060 392 HB3 LYS 31 HB3 LYS 31 11.029 -12.928 1.177 393 HG2 LYS 31 HG2 LYS 31 9.555 -11.395 -0.188 394 HG3 LYS 31 HG3 LYS 31 10.260 -10.022 0.673 395 HD2 LYS 31 HD2 LYS 31 11.474 -10.141 -1.351 396 HD3 LYS 31 HD3 LYS 31 12.540 -10.760 -0.108 397 HE2 LYS 31 HE2 LYS 31 12.801 -12.175 -2.012 398 HE3 LYS 31 HE3 LYS 31 11.909 -13.109 -0.812 399 HZ1 LYS 31 HZ1 LYS 31 10.934 -13.316 -3.029 400 HZ2 LYS 31 HZ2 LYS 31 10.696 -11.712 -3.150 401 HZ3 LYS 31 HZ3 LYS 31 9.860 -12.586 -2.045 402 H ARG 32 H ARG 32 9.501 -14.620 2.689 403 HA ARG 32 HA ARG 32 11.091 -14.965 5.125 404 HB2 ARG 32 HB2 ARG 32 8.890 -14.565 6.100 405 HB3 ARG 32 HB3 ARG 32 8.140 -15.718 4.994 406 HG2 ARG 32 HG2 ARG 32 8.355 -16.662 7.241 407 HG3 ARG 32 HG3 ARG 32 9.300 -17.585 6.077 408 HD2 ARG 32 HD2 ARG 32 11.350 -16.228 6.860 409 HD3 ARG 32 HD3 ARG 32 10.325 -15.565 8.119 410 HE ARG 32 HE ARG 32 10.405 -17.596 9.257 411 HH11 ARG 32 HH11 ARG 32 11.758 -18.166 6.033 412 HH12 ARG 32 HH12 ARG 32 12.460 -19.683 6.544 413 HH21 ARG 32 HH21 ARG 32 11.311 -19.546 9.769 414 HH22 ARG 32 HH22 ARG 32 12.192 -20.447 8.569 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 6.821 2.918 1.459 2 H2 GLY 1 H2 GLY 1 5.221 2.856 1.108 3 H3 GLY 1 H3 GLY 1 6.154 4.046 0.481 4 HA2 GLY 1 HA2 GLY 1 7.392 2.471 -0.841 5 HA3 GLY 1 HA3 GLY 1 6.426 1.169 -0.130 6 H ILE 2 H ILE 2 6.748 2.245 -2.982 7 HA ILE 2 HA ILE 2 4.431 3.655 -3.780 8 HB ILE 2 HB ILE 2 6.335 3.730 -5.113 9 HG12 ILE 2 HG12 ILE 2 4.024 3.604 -6.295 10 HG13 ILE 2 HG13 ILE 2 5.511 3.626 -7.211 11 HG21 ILE 2 HG21 ILE 2 6.211 0.724 -5.342 12 HG22 ILE 2 HG22 ILE 2 7.226 1.721 -6.402 13 HG23 ILE 2 HG23 ILE 2 7.522 1.697 -4.665 14 HD11 ILE 2 HD11 ILE 2 3.923 1.085 -6.664 15 HD12 ILE 2 HD12 ILE 2 3.865 2.037 -8.156 16 HD13 ILE 2 HD13 ILE 2 5.357 1.228 -7.702 17 H VAL 3 H VAL 3 4.855 0.096 -3.544 18 HA VAL 3 HA VAL 3 2.419 -0.617 -4.739 19 HB VAL 3 HB VAL 3 4.132 -2.224 -4.187 20 HG11 VAL 3 HG11 VAL 3 3.286 -2.019 -1.256 21 HG12 VAL 3 HG12 VAL 3 4.466 -3.141 -1.949 22 HG13 VAL 3 HG13 VAL 3 4.819 -1.406 -1.916 23 HG21 VAL 3 HG21 VAL 3 1.781 -2.973 -4.503 24 HG22 VAL 3 HG22 VAL 3 2.762 -4.067 -3.520 25 HG23 VAL 3 HG23 VAL 3 1.576 -2.996 -2.744 26 H GLU 4 H GLU 4 2.913 0.626 -1.441 27 HA GLU 4 HA GLU 4 0.242 -0.008 -0.527 28 HB2 GLU 4 HB2 GLU 4 2.147 0.524 1.006 29 HB3 GLU 4 HB3 GLU 4 2.157 2.168 0.385 30 HG2 GLU 4 HG2 GLU 4 1.072 2.253 2.456 31 HG3 GLU 4 HG3 GLU 4 -0.175 2.500 1.244 32 H GLN 5 H GLN 5 1.693 2.902 -2.070 33 HA GLN 5 HA GLN 5 -0.682 4.487 -2.035 34 HB2 GLN 5 HB2 GLN 5 1.702 5.230 -2.488 35 HB3 GLN 5 HB3 GLN 5 1.542 4.616 -4.134 36 HG2 GLN 5 HG2 GLN 5 -0.560 6.546 -3.093 37 HG3 GLN 5 HG3 GLN 5 1.046 7.162 -3.433 38 HE21 GLN 5 HE21 GLN 5 -1.696 5.440 -5.035 39 HE22 GLN 5 HE22 GLN 5 -1.329 6.098 -6.621 40 H CYS 6 H CYS 6 0.532 2.135 -4.466 41 HA CYS 6 HA CYS 6 -1.683 2.613 -6.290 42 HB2 CYS 6 HB2 CYS 6 0.281 0.292 -6.138 43 HB3 CYS 6 HB3 CYS 6 -0.828 0.623 -7.452 44 H CYS 7 H CYS 7 -1.231 0.369 -3.571 45 HA CYS 7 HA CYS 7 -3.500 -1.276 -4.240 46 HB2 CYS 7 HB2 CYS 7 -1.574 -1.923 -2.761 47 HB3 CYS 7 HB3 CYS 7 -2.169 -0.791 -1.549 48 H THR 8 H THR 8 -3.092 1.613 -2.146 49 HA THR 8 HA THR 8 -5.983 1.647 -1.565 50 HB THR 8 HB THR 8 -5.665 2.901 0.275 51 HG1 THR 8 HG1 THR 8 -3.799 4.083 0.695 52 HG21 THR 8 HG21 THR 8 -4.614 0.649 0.556 53 HG22 THR 8 HG22 THR 8 -3.930 1.890 1.622 54 HG23 THR 8 HG23 THR 8 -3.032 1.363 0.186 55 H SER 9 H SER 9 -4.061 3.247 -3.831 56 HA SER 9 HA SER 9 -6.320 5.011 -4.543 57 HB2 SER 9 HB2 SER 9 -4.849 6.293 -2.969 58 HB3 SER 9 HB3 SER 9 -3.518 6.101 -4.113 59 HG SER 9 HG SER 9 -4.697 8.105 -4.328 60 H ILE 10 H ILE 10 -5.582 6.281 -6.627 61 HA ILE 10 HA ILE 10 -5.199 4.233 -8.634 62 HB ILE 10 HB ILE 10 -5.095 7.145 -9.355 63 HG12 ILE 10 HG12 ILE 10 -6.888 7.209 -7.714 64 HG13 ILE 10 HG13 ILE 10 -7.493 7.433 -9.341 65 HG21 ILE 10 HG21 ILE 10 -4.928 5.477 -11.109 66 HG22 ILE 10 HG22 ILE 10 -6.452 4.735 -10.599 67 HG23 ILE 10 HG23 ILE 10 -6.445 6.384 -11.267 68 HD11 ILE 10 HD11 ILE 10 -7.657 4.784 -7.853 69 HD12 ILE 10 HD12 ILE 10 -8.959 5.986 -7.955 70 HD13 ILE 10 HD13 ILE 10 -8.397 5.164 -9.422 71 H CYS 11 H CYS 11 -3.501 3.896 -10.071 72 HA CYS 11 HA CYS 11 -1.039 5.558 -9.816 73 HB2 CYS 11 HB2 CYS 11 -1.320 2.580 -9.566 74 HB3 CYS 11 HB3 CYS 11 0.127 3.244 -10.328 75 H SER 12 H SER 12 0.494 5.343 -11.543 76 HA SER 12 HA SER 12 -0.592 4.656 -14.224 77 HB2 SER 12 HB2 SER 12 -0.572 7.215 -13.632 78 HB3 SER 12 HB3 SER 12 1.191 7.059 -13.771 79 HG SER 12 HG SER 12 0.313 7.587 -15.797 80 H LEU 13 H LEU 13 1.261 4.600 -15.804 81 HA LEU 13 HA LEU 13 3.025 2.503 -15.110 82 HB2 LEU 13 HB2 LEU 13 3.401 4.525 -17.347 83 HB3 LEU 13 HB3 LEU 13 4.040 2.891 -17.287 84 HG LEU 13 HG LEU 13 1.107 3.713 -17.576 85 HD11 LEU 13 HD11 LEU 13 2.498 3.952 -19.601 86 HD12 LEU 13 HD12 LEU 13 1.311 2.647 -19.779 87 HD13 LEU 13 HD13 LEU 13 3.014 2.260 -19.453 88 HD21 LEU 13 HD21 LEU 13 0.599 1.314 -17.887 89 HD22 LEU 13 HD22 LEU 13 1.188 1.621 -16.258 90 HD23 LEU 13 HD23 LEU 13 2.264 0.896 -17.472 91 H TYR 14 H TYR 14 3.582 5.989 -14.992 92 HA TYR 14 HA TYR 14 6.359 5.968 -14.463 93 HB2 TYR 14 HB2 TYR 14 4.180 7.959 -13.811 94 HB3 TYR 14 HB3 TYR 14 5.877 8.242 -13.449 95 HD1 TYR 14 HD1 TYR 14 7.612 8.067 -15.367 96 HD2 TYR 14 HD2 TYR 14 3.361 8.483 -15.996 97 HE1 TYR 14 HE1 TYR 14 8.034 8.897 -17.676 98 HE2 TYR 14 HE2 TYR 14 3.790 9.326 -18.309 99 HH TYR 14 HH TYR 14 7.112 9.663 -19.625 100 H GLN 15 H GLN 15 3.756 5.268 -12.203 101 HA GLN 15 HA GLN 15 5.444 5.564 -9.834 102 HB2 GLN 15 HB2 GLN 15 2.680 4.397 -10.296 103 HB3 GLN 15 HB3 GLN 15 3.533 4.203 -8.784 104 HG2 GLN 15 HG2 GLN 15 2.139 6.085 -8.487 105 HG3 GLN 15 HG3 GLN 15 3.797 6.663 -8.570 106 HE21 GLN 15 HE21 GLN 15 3.391 8.788 -9.344 107 HE22 GLN 15 HE22 GLN 15 2.568 9.090 -10.869 108 H LEU 16 H LEU 16 4.295 2.766 -11.747 109 HA LEU 16 HA LEU 16 5.582 0.691 -10.340 110 HB2 LEU 16 HB2 LEU 16 4.863 1.010 -13.293 111 HB3 LEU 16 HB3 LEU 16 5.432 -0.474 -12.588 112 HG LEU 16 HG LEU 16 3.142 -0.689 -12.867 113 HD11 LEU 16 HD11 LEU 16 2.296 -1.157 -10.635 114 HD12 LEU 16 HD12 LEU 16 3.525 -0.107 -9.908 115 HD13 LEU 16 HD13 LEU 16 4.007 -1.605 -10.740 116 HD21 LEU 16 HD21 LEU 16 2.478 1.664 -13.001 117 HD22 LEU 16 HD22 LEU 16 2.562 1.796 -11.221 118 HD23 LEU 16 HD23 LEU 16 1.405 0.704 -11.990 119 H GLU 17 H GLU 17 6.869 2.776 -12.958 120 HA GLU 17 HA GLU 17 9.259 1.484 -13.490 121 HB2 GLU 17 HB2 GLU 17 7.996 3.874 -14.201 122 HB3 GLU 17 HB3 GLU 17 9.443 4.452 -13.363 123 HG2 GLU 17 HG2 GLU 17 10.780 2.853 -14.822 124 HG3 GLU 17 HG3 GLU 17 9.272 2.493 -15.678 125 H ASN 18 H ASN 18 8.465 3.069 -10.489 126 HA ASN 18 HA ASN 18 11.136 3.761 -9.611 127 HB2 ASN 18 HB2 ASN 18 8.500 3.279 -8.166 128 HB3 ASN 18 HB3 ASN 18 9.990 3.689 -7.318 129 HD21 ASN 18 HD21 ASN 18 7.382 4.948 -9.115 130 HD22 ASN 18 HD22 ASN 18 7.932 6.625 -9.151 131 H TYR 19 H TYR 19 9.505 0.685 -9.838 132 HA TYR 19 HA TYR 19 11.258 -0.647 -7.942 133 HB2 TYR 19 HB2 TYR 19 9.185 -1.621 -9.898 134 HB3 TYR 19 HB3 TYR 19 10.264 -2.730 -9.070 135 HD1 TYR 19 HD1 TYR 19 7.168 -0.944 -8.740 136 HD2 TYR 19 HD2 TYR 19 10.527 -2.527 -6.522 137 HE1 TYR 19 HE1 TYR 19 5.782 -1.062 -6.671 138 HE2 TYR 19 HE2 TYR 19 9.167 -2.502 -4.434 139 HH TYR 19 HH TYR 19 7.171 -1.899 -3.487 140 H CYS 20 H CYS 20 11.715 0.292 -11.169 141 HA CYS 20 HA CYS 20 13.400 -1.947 -11.915 142 HB2 CYS 20 HB2 CYS 20 12.811 0.579 -13.464 143 HB3 CYS 20 HB3 CYS 20 13.341 -0.989 -14.090 144 H LYS 21 H LYS 21 15.501 -2.044 -12.314 145 HA LYS 21 HA LYS 21 17.256 0.297 -11.710 146 HB2 LYS 21 HB2 LYS 21 17.019 -1.049 -9.666 147 HB3 LYS 21 HB3 LYS 21 17.507 -2.495 -10.534 148 HG2 LYS 21 HG2 LYS 21 19.347 -1.616 -9.191 149 HG3 LYS 21 HG3 LYS 21 19.758 -1.608 -10.895 150 HD2 LYS 21 HD2 LYS 21 20.551 0.430 -9.744 151 HD3 LYS 21 HD3 LYS 21 19.432 0.802 -11.038 152 HE2 LYS 21 HE2 LYS 21 18.934 2.234 -9.171 153 HE3 LYS 21 HE3 LYS 21 17.591 1.110 -9.388 154 HZ1 LYS 21 HZ1 LYS 21 19.743 0.825 -7.354 155 HZ2 LYS 21 HZ2 LYS 21 18.490 -0.208 -7.530 156 HZ3 LYS 21 HZ3 LYS 21 18.218 1.324 -7.056 157 H1 PHE 1 H1 PHE 1 -3.615 4.260 -21.957 158 H2 PHE 1 H2 PHE 1 -2.087 3.674 -21.989 159 H3 PHE 1 H3 PHE 1 -2.441 5.003 -21.094 160 HA PHE 1 HA PHE 1 -3.475 2.320 -20.649 161 HB2 PHE 1 HB2 PHE 1 -1.270 2.088 -20.056 162 HB3 PHE 1 HB3 PHE 1 -1.184 3.691 -19.336 163 HD1 PHE 1 HD1 PHE 1 -2.375 0.215 -18.789 164 HD2 PHE 1 HD2 PHE 1 -1.784 4.114 -17.025 165 HE1 PHE 1 HE1 PHE 1 -2.737 -0.745 -16.530 166 HE2 PHE 1 HE2 PHE 1 -2.143 3.134 -14.771 167 HZ PHE 1 HZ PHE 1 -2.623 0.714 -14.521 168 H VAL 2 H VAL 2 -5.161 1.953 -19.354 169 HA VAL 2 HA VAL 2 -6.634 4.294 -18.378 170 HB VAL 2 HB VAL 2 -7.357 1.367 -18.028 171 HG11 VAL 2 HG11 VAL 2 -9.629 2.247 -17.678 172 HG12 VAL 2 HG12 VAL 2 -8.531 2.912 -16.469 173 HG13 VAL 2 HG13 VAL 2 -9.037 3.909 -17.852 174 HG21 VAL 2 HG21 VAL 2 -8.207 3.333 -20.193 175 HG22 VAL 2 HG22 VAL 2 -7.229 1.866 -20.433 176 HG23 VAL 2 HG23 VAL 2 -8.912 1.722 -19.919 177 H ASN 3 H ASN 3 -6.127 5.247 -16.516 178 HA ASN 3 HA ASN 3 -4.423 4.059 -14.560 179 HB2 ASN 3 HB2 ASN 3 -6.107 6.599 -14.511 180 HB3 ASN 3 HB3 ASN 3 -4.950 6.152 -13.254 181 HD21 ASN 3 HD21 ASN 3 -2.702 5.648 -13.970 182 HD22 ASN 3 HD22 ASN 3 -2.050 6.625 -15.286 183 H GLN 4 H GLN 4 -4.735 2.938 -12.785 184 HA GLN 4 HA GLN 4 -7.395 2.512 -11.570 185 HB2 GLN 4 HB2 GLN 4 -5.736 0.418 -13.058 186 HB3 GLN 4 HB3 GLN 4 -6.945 -0.035 -11.865 187 HG2 GLN 4 HG2 GLN 4 -7.506 1.452 -14.444 188 HG3 GLN 4 HG3 GLN 4 -7.820 -0.239 -14.113 189 HE21 GLN 4 HE21 GLN 4 -9.856 1.610 -14.952 190 HE22 GLN 4 HE22 GLN 4 -10.996 1.725 -13.619 191 H HIS 5 H HIS 5 -7.261 0.902 -9.757 192 HA HIS 5 HA HIS 5 -4.934 1.323 -8.009 193 HB2 HIS 5 HB2 HIS 5 -7.377 -0.485 -7.742 194 HB3 HIS 5 HB3 HIS 5 -6.132 -0.267 -6.518 195 HD1 HIS 5 HD1 HIS 5 -9.078 1.681 -8.072 196 HD2 HIS 5 HD2 HIS 5 -6.323 1.771 -4.902 197 HE1 HIS 5 HE1 HIS 5 -9.889 3.497 -6.480 198 H LEU 6 H LEU 6 -3.403 -0.256 -7.524 199 HA LEU 6 HA LEU 6 -3.451 -2.905 -8.872 200 HB2 LEU 6 HB2 LEU 6 -1.156 -0.927 -9.089 201 HB3 LEU 6 HB3 LEU 6 -1.073 -2.613 -9.572 202 HG LEU 6 HG LEU 6 -2.974 -0.602 -10.842 203 HD11 LEU 6 HD11 LEU 6 -0.180 -1.417 -11.657 204 HD12 LEU 6 HD12 LEU 6 -0.743 0.195 -11.171 205 HD13 LEU 6 HD13 LEU 6 -1.319 -0.514 -12.683 206 HD21 LEU 6 HD21 LEU 6 -1.938 -3.301 -11.813 207 HD22 LEU 6 HD22 LEU 6 -3.013 -2.213 -12.713 208 HD23 LEU 6 HD23 LEU 6 -3.593 -2.972 -11.230 209 H CYS 7 H CYS 7 -3.452 -4.176 -7.122 210 HA CYS 7 HA CYS 7 -1.483 -3.656 -4.921 211 HB2 CYS 7 HB2 CYS 7 -4.008 -3.322 -4.438 212 HB3 CYS 7 HB3 CYS 7 -4.153 -5.068 -4.609 213 H GLY 8 H GLY 8 -0.231 -5.424 -4.298 214 HA2 GLY 8 HA2 GLY 8 0.758 -7.516 -4.386 215 HA3 GLY 8 HA3 GLY 8 -0.864 -8.150 -4.649 216 H SER 9 H SER 9 -0.820 -9.530 -6.335 217 HA SER 9 HA SER 9 1.220 -9.710 -8.269 218 HB2 SER 9 HB2 SER 9 -0.288 -11.322 -9.383 219 HB3 SER 9 HB3 SER 9 -0.145 -11.596 -7.635 220 HG SER 9 HG SER 9 -2.326 -11.699 -8.381 221 H HIS 10 H HIS 10 -1.816 -7.866 -8.461 222 HA HIS 10 HA HIS 10 -1.781 -7.267 -11.259 223 HB2 HIS 10 HB2 HIS 10 -2.850 -5.830 -8.801 224 HB3 HIS 10 HB3 HIS 10 -2.899 -5.081 -10.377 225 HD1 HIS 10 HD1 HIS 10 -4.488 -6.191 -12.250 226 HD2 HIS 10 HD2 HIS 10 -4.698 -7.727 -8.336 227 HE1 HIS 10 HE1 HIS 10 -6.673 -7.472 -12.116 228 H LEU 11 H LEU 11 -0.086 -5.725 -8.526 229 HA LEU 11 HA LEU 11 1.032 -3.566 -10.141 230 HB2 LEU 11 HB2 LEU 11 0.604 -3.200 -7.830 231 HB3 LEU 11 HB3 LEU 11 1.499 -4.622 -7.332 232 HG LEU 11 HG LEU 11 3.235 -2.820 -8.879 233 HD11 LEU 11 HD11 LEU 11 1.815 -1.087 -8.128 234 HD12 LEU 11 HD12 LEU 11 3.323 -1.043 -7.186 235 HD13 LEU 11 HD13 LEU 11 1.825 -1.705 -6.467 236 HD21 LEU 11 HD21 LEU 11 4.686 -3.090 -6.939 237 HD22 LEU 11 HD22 LEU 11 4.040 -4.649 -7.445 238 HD23 LEU 11 HD23 LEU 11 3.367 -3.841 -6.024 239 H VAL 12 H VAL 12 2.264 -6.719 -8.885 240 HA VAL 12 HA VAL 12 4.897 -6.462 -9.968 241 HB VAL 12 HB VAL 12 3.355 -9.034 -9.503 242 HG11 VAL 12 HG11 VAL 12 6.355 -8.491 -9.715 243 HG12 VAL 12 HG12 VAL 12 5.617 -10.033 -9.237 244 HG13 VAL 12 HG13 VAL 12 5.369 -9.414 -10.871 245 HG21 VAL 12 HG21 VAL 12 5.232 -7.476 -7.670 246 HG22 VAL 12 HG22 VAL 12 3.491 -7.689 -7.418 247 HG23 VAL 12 HG23 VAL 12 4.561 -9.086 -7.328 248 H GLU 13 H GLU 13 1.901 -7.745 -11.454 249 HA GLU 13 HA GLU 13 3.037 -8.361 -14.010 250 HB2 GLU 13 HB2 GLU 13 0.841 -9.172 -13.217 251 HB3 GLU 13 HB3 GLU 13 0.235 -7.529 -13.196 252 HG2 GLU 13 HG2 GLU 13 -0.645 -8.566 -15.123 253 HG3 GLU 13 HG3 GLU 13 0.515 -7.374 -15.668 254 H ALA 14 H ALA 14 1.807 -5.248 -12.651 255 HA ALA 14 HA ALA 14 1.876 -3.894 -15.188 256 HB1 ALA 14 HB1 ALA 14 0.400 -3.245 -13.345 257 HB2 ALA 14 HB2 ALA 14 1.809 -2.794 -12.358 258 HB3 ALA 14 HB3 ALA 14 1.432 -1.907 -13.857 259 H LEU 15 H LEU 15 4.205 -3.822 -12.377 260 HA LEU 15 HA LEU 15 6.118 -2.192 -13.808 261 HB2 LEU 15 HB2 LEU 15 7.674 -2.669 -12.072 262 HB3 LEU 15 HB3 LEU 15 6.097 -2.343 -11.396 263 HG LEU 15 HG LEU 15 5.906 -5.012 -11.429 264 HD11 LEU 15 HD11 LEU 15 8.012 -6.093 -10.837 265 HD12 LEU 15 HD12 LEU 15 8.889 -4.560 -11.032 266 HD13 LEU 15 HD13 LEU 15 8.181 -5.376 -12.435 267 HD21 LEU 15 HD21 LEU 15 5.742 -3.544 -9.443 268 HD22 LEU 15 HD22 LEU 15 7.519 -3.526 -9.351 269 HD23 LEU 15 HD23 LEU 15 6.628 -5.045 -9.103 270 H TYR 16 H TYR 16 5.595 -5.704 -13.793 271 HA TYR 16 HA TYR 16 7.818 -6.384 -15.410 272 HB2 TYR 16 HB2 TYR 16 6.810 -8.165 -14.343 273 HB3 TYR 16 HB3 TYR 16 5.195 -7.662 -14.828 274 HD1 TYR 16 HD1 TYR 16 4.210 -8.167 -16.965 275 HD2 TYR 16 HD2 TYR 16 8.194 -9.487 -15.944 276 HE1 TYR 16 HE1 TYR 16 4.179 -9.748 -18.888 277 HE2 TYR 16 HE2 TYR 16 8.155 -11.065 -17.876 278 HH TYR 16 HH TYR 16 5.337 -11.348 -20.068 279 H LEU 17 H LEU 17 4.691 -5.120 -16.372 280 HA LEU 17 HA LEU 17 5.138 -5.537 -19.231 281 HB2 LEU 17 HB2 LEU 17 2.950 -5.720 -18.255 282 HB3 LEU 17 HB3 LEU 17 3.011 -4.105 -17.573 283 HG LEU 17 HG LEU 17 3.272 -4.386 -20.572 284 HD11 LEU 17 HD11 LEU 17 0.649 -4.531 -19.033 285 HD12 LEU 17 HD12 LEU 17 1.370 -5.836 -20.004 286 HD13 LEU 17 HD13 LEU 17 0.815 -4.352 -20.795 287 HD21 LEU 17 HD21 LEU 17 3.423 -2.102 -19.552 288 HD22 LEU 17 HD22 LEU 17 1.854 -2.356 -18.767 289 HD23 LEU 17 HD23 LEU 17 1.971 -2.266 -20.537 290 H VAL 18 H VAL 18 5.352 -2.876 -16.918 291 HA VAL 18 HA VAL 18 5.970 -0.755 -18.754 292 HB VAL 18 HB VAL 18 6.321 -1.200 -15.768 293 HG11 VAL 18 HG11 VAL 18 8.109 0.346 -16.333 294 HG12 VAL 18 HG12 VAL 18 6.981 1.343 -17.280 295 HG13 VAL 18 HG13 VAL 18 6.806 1.196 -15.510 296 HG21 VAL 18 HG21 VAL 18 4.018 -0.835 -16.709 297 HG22 VAL 18 HG22 VAL 18 4.520 0.489 -15.652 298 HG23 VAL 18 HG23 VAL 18 4.585 0.679 -17.421 299 H CYS 19 H CYS 19 8.176 -2.767 -16.659 300 HA CYS 19 HA CYS 19 10.476 -1.603 -18.150 301 HB2 CYS 19 HB2 CYS 19 10.181 -3.072 -15.551 302 HB3 CYS 19 HB3 CYS 19 11.759 -2.677 -16.232 303 H GLY 20 H GLY 20 8.837 -4.722 -18.171 304 HA2 GLY 20 HA2 GLY 20 9.253 -6.528 -19.518 305 HA3 GLY 20 HA3 GLY 20 10.347 -5.499 -20.446 306 H GLU 21 H GLU 21 10.503 -6.800 -17.123 307 HA GLU 21 HA GLU 21 12.139 -7.777 -15.905 308 HB2 GLU 21 HB2 GLU 21 12.654 -9.325 -18.457 309 HB3 GLU 21 HB3 GLU 21 13.255 -9.748 -16.846 310 HG2 GLU 21 HG2 GLU 21 10.900 -9.849 -16.018 311 HG3 GLU 21 HG3 GLU 21 10.345 -9.634 -17.679 312 H ARG 22 H ARG 22 12.977 -5.270 -17.276 313 HA ARG 22 HA ARG 22 15.672 -5.379 -18.028 314 HB2 ARG 22 HB2 ARG 22 13.741 -3.319 -17.405 315 HB3 ARG 22 HB3 ARG 22 15.232 -2.883 -16.617 316 HG2 ARG 22 HG2 ARG 22 15.065 -3.705 -19.550 317 HG3 ARG 22 HG3 ARG 22 14.899 -2.034 -19.013 318 HD2 ARG 22 HD2 ARG 22 17.378 -3.714 -18.397 319 HD3 ARG 22 HD3 ARG 22 17.201 -2.735 -19.844 320 HE ARG 22 HE ARG 22 17.243 -0.739 -18.604 321 HH11 ARG 22 HH11 ARG 22 17.900 -3.463 -16.444 322 HH12 ARG 22 HH12 ARG 22 18.255 -2.388 -15.116 323 HH21 ARG 22 HH21 ARG 22 17.878 0.505 -16.879 324 HH22 ARG 22 HH22 ARG 22 18.359 -0.273 -15.382 325 H GLY 23 H GLY 23 14.454 -5.124 -14.709 326 HA2 GLY 23 HA2 GLY 23 16.559 -6.507 -13.511 327 HA3 GLY 23 HA3 GLY 23 17.134 -4.843 -13.562 328 H PHE 24 H PHE 24 13.719 -5.313 -12.993 329 HA PHE 24 HA PHE 24 13.863 -3.775 -10.665 330 HB2 PHE 24 HB2 PHE 24 11.351 -4.375 -10.491 331 HB3 PHE 24 HB3 PHE 24 11.970 -3.422 -11.811 332 HD1 PHE 24 HD1 PHE 24 11.291 -7.027 -10.993 333 HD2 PHE 24 HD2 PHE 24 11.356 -3.929 -13.960 334 HE1 PHE 24 HE1 PHE 24 10.202 -8.577 -12.616 335 HE2 PHE 24 HE2 PHE 24 10.218 -5.450 -15.577 336 HZ PHE 24 HZ PHE 24 9.667 -7.789 -14.901 337 H PHE 25 H PHE 25 13.006 -3.914 -8.616 338 HA PHE 25 HA PHE 25 13.733 -6.335 -7.175 339 HB2 PHE 25 HB2 PHE 25 14.537 -4.449 -6.192 340 HB3 PHE 25 HB3 PHE 25 13.049 -3.562 -6.377 341 HD1 PHE 25 HD1 PHE 25 14.530 -6.448 -4.489 342 HD2 PHE 25 HD2 PHE 25 11.558 -3.319 -4.549 343 HE1 PHE 25 HE1 PHE 25 13.944 -6.952 -2.132 344 HE2 PHE 25 HE2 PHE 25 10.983 -3.824 -2.190 345 HZ PHE 25 HZ PHE 25 12.167 -5.644 -0.980 346 H TYR 26 H TYR 26 10.921 -5.642 -8.694 347 HA TYR 26 HA TYR 26 8.885 -6.481 -8.686 348 HB2 TYR 26 HB2 TYR 26 8.734 -8.988 -8.553 349 HB3 TYR 26 HB3 TYR 26 9.795 -8.230 -9.692 350 HD1 TYR 26 HD1 TYR 26 12.100 -8.854 -9.833 351 HD2 TYR 26 HD2 TYR 26 9.774 -9.876 -6.339 352 HE1 TYR 26 HE1 TYR 26 13.973 -10.242 -8.992 353 HE2 TYR 26 HE2 TYR 26 11.647 -11.300 -5.514 354 HH TYR 26 HH TYR 26 14.727 -11.628 -7.322 355 H THR 27 H THR 27 9.075 -5.123 -6.280 356 HA THR 27 HA THR 27 7.923 -4.648 -4.510 357 HB THR 27 HB THR 27 5.964 -5.435 -6.033 358 HG1 THR 27 HG1 THR 27 5.803 -3.782 -4.574 359 HG21 THR 27 HG21 THR 27 5.427 -7.055 -3.500 360 HG22 THR 27 HG22 THR 27 5.800 -7.789 -5.068 361 HG23 THR 27 HG23 THR 27 4.352 -6.805 -4.884 362 HA PRO 28 HA PRO 28 9.752 -6.913 -1.332 363 HB2 PRO 28 HB2 PRO 28 8.874 -5.718 0.973 364 HB3 PRO 28 HB3 PRO 28 9.956 -4.917 -0.203 365 HG2 PRO 28 HG2 PRO 28 6.938 -4.679 0.002 366 HG3 PRO 28 HG3 PRO 28 8.158 -3.354 -0.107 367 HD2 PRO 28 HD2 PRO 28 6.831 -4.236 -2.270 368 HD3 PRO 28 HD3 PRO 28 8.558 -3.793 -2.396 369 H LYS 29 H LYS 29 6.437 -7.255 -1.767 370 HA LYS 29 HA LYS 29 4.809 -8.689 -1.079 371 HB2 LYS 29 HB2 LYS 29 5.329 -10.967 -1.483 372 HB3 LYS 29 HB3 LYS 29 6.167 -9.964 -2.635 373 HG2 LYS 29 HG2 LYS 29 8.256 -10.556 -1.910 374 HG3 LYS 29 HG3 LYS 29 7.784 -10.688 -0.217 375 HD2 LYS 29 HD2 LYS 29 6.970 -12.755 -2.291 376 HD3 LYS 29 HD3 LYS 29 8.434 -12.864 -1.290 377 HE2 LYS 29 HE2 LYS 29 7.035 -12.634 0.764 378 HE3 LYS 29 HE3 LYS 29 5.584 -12.603 -0.218 379 HZ1 LYS 29 HZ1 LYS 29 7.441 -14.905 -0.027 380 HZ2 LYS 29 HZ2 LYS 29 6.084 -14.859 -0.954 381 HZ3 LYS 29 HZ3 LYS 29 5.962 -14.757 0.677 382 H THR 30 H THR 30 5.545 -7.370 1.229 383 HA THR 30 HA THR 30 6.293 -9.065 3.303 384 HB THR 30 HB THR 30 6.358 -6.566 3.294 385 HG1 THR 30 HG1 THR 30 6.417 -6.621 5.522 386 HG21 THR 30 HG21 THR 30 3.639 -6.851 4.650 387 HG22 THR 30 HG22 THR 30 3.899 -6.120 3.052 388 HG23 THR 30 HG23 THR 30 4.607 -5.377 4.494 389 H LYS 31 H LYS 31 5.472 -10.119 4.951 390 HA LYS 31 HA LYS 31 4.135 -11.570 6.082 391 HB2 LYS 31 HB2 LYS 31 1.982 -9.474 5.619 392 HB3 LYS 31 HB3 LYS 31 1.994 -10.688 6.891 393 HG2 LYS 31 HG2 LYS 31 3.920 -8.355 6.604 394 HG3 LYS 31 HG3 LYS 31 2.619 -8.503 7.765 395 HD2 LYS 31 HD2 LYS 31 5.152 -10.189 7.669 396 HD3 LYS 31 HD3 LYS 31 4.780 -8.916 8.820 397 HE2 LYS 31 HE2 LYS 31 3.266 -11.559 8.548 398 HE3 LYS 31 HE3 LYS 31 4.502 -11.207 9.752 399 HZ1 LYS 31 HZ1 LYS 31 2.301 -10.873 10.677 400 HZ2 LYS 31 HZ2 LYS 31 1.903 -9.778 9.539 401 HZ3 LYS 31 HZ3 LYS 31 3.078 -9.440 10.634 402 H ARG 32 H ARG 32 4.211 -12.105 3.202 403 HA ARG 32 HA ARG 32 2.117 -14.160 3.107 404 HB2 ARG 32 HB2 ARG 32 1.161 -13.448 0.978 405 HB3 ARG 32 HB3 ARG 32 0.939 -12.219 2.213 406 HG2 ARG 32 HG2 ARG 32 2.983 -11.020 1.231 407 HG3 ARG 32 HG3 ARG 32 2.890 -12.157 -0.124 408 HD2 ARG 32 HD2 ARG 32 0.555 -11.410 -0.532 409 HD3 ARG 32 HD3 ARG 32 0.655 -10.302 0.842 410 HE ARG 32 HE ARG 32 1.842 -9.995 -1.832 411 HH11 ARG 32 HH11 ARG 32 2.315 -7.935 -2.458 412 HH12 ARG 32 HH12 ARG 32 2.468 -6.666 -1.281 413 HH21 ARG 32 HH21 ARG 32 2.029 -8.689 1.441 414 HH22 ARG 32 HH22 ARG 32 2.208 -7.062 0.848 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 5.508 1.841 -0.748 2 H2 GLY 1 H2 GLY 1 6.531 1.984 -2.022 3 H3 GLY 1 H3 GLY 1 7.092 1.446 -0.586 4 HA2 GLY 1 HA2 GLY 1 6.870 -0.406 -2.113 5 HA3 GLY 1 HA3 GLY 1 5.784 -0.562 -0.724 6 H ILE 2 H ILE 2 6.008 -0.025 -4.163 7 HA ILE 2 HA ILE 2 3.433 0.873 -4.785 8 HB ILE 2 HB ILE 2 5.489 0.718 -6.237 9 HG12 ILE 2 HG12 ILE 2 4.309 0.332 -8.380 10 HG13 ILE 2 HG13 ILE 2 2.868 -0.156 -7.477 11 HG21 ILE 2 HG21 ILE 2 5.997 -1.717 -5.892 12 HG22 ILE 2 HG22 ILE 2 4.574 -2.118 -6.870 13 HG23 ILE 2 HG23 ILE 2 5.923 -1.244 -7.592 14 HD11 ILE 2 HD11 ILE 2 4.294 2.524 -7.149 15 HD12 ILE 2 HD12 ILE 2 2.957 2.249 -8.268 16 HD13 ILE 2 HD13 ILE 2 2.686 2.088 -6.518 17 H VAL 3 H VAL 3 4.483 -2.386 -4.080 18 HA VAL 3 HA VAL 3 2.278 -3.913 -4.934 19 HB VAL 3 HB VAL 3 3.852 -4.483 -2.430 20 HG11 VAL 3 HG11 VAL 3 3.570 -6.835 -3.113 21 HG12 VAL 3 HG12 VAL 3 2.010 -6.044 -2.897 22 HG13 VAL 3 HG13 VAL 3 2.646 -6.318 -4.536 23 HG21 VAL 3 HG21 VAL 3 4.782 -4.986 -5.271 24 HG22 VAL 3 HG22 VAL 3 5.564 -3.951 -4.046 25 HG23 VAL 3 HG23 VAL 3 5.492 -5.691 -3.801 26 H GLU 4 H GLU 4 2.635 -1.972 -1.990 27 HA GLU 4 HA GLU 4 -0.049 -2.774 -1.006 28 HB2 GLU 4 HB2 GLU 4 1.816 -2.433 0.613 29 HB3 GLU 4 HB3 GLU 4 1.975 -0.774 0.060 30 HG2 GLU 4 HG2 GLU 4 0.779 -0.622 2.057 31 HG3 GLU 4 HG3 GLU 4 -0.420 -0.357 0.809 32 H GLN 5 H GLN 5 1.619 0.222 -2.123 33 HA GLN 5 HA GLN 5 -0.550 1.954 -1.901 34 HB2 GLN 5 HB2 GLN 5 1.647 2.820 -2.220 35 HB3 GLN 5 HB3 GLN 5 1.841 1.966 -3.746 36 HG2 GLN 5 HG2 GLN 5 1.534 4.352 -4.140 37 HG3 GLN 5 HG3 GLN 5 0.250 3.419 -4.877 38 HE21 GLN 5 HE21 GLN 5 -1.304 5.168 -4.914 39 HE22 GLN 5 HE22 GLN 5 -1.935 5.835 -3.421 40 H CYS 6 H CYS 6 0.277 0.005 -4.831 41 HA CYS 6 HA CYS 6 -1.941 1.226 -6.283 42 HB2 CYS 6 HB2 CYS 6 0.389 0.279 -7.112 43 HB3 CYS 6 HB3 CYS 6 -0.534 -1.211 -7.290 44 H CYS 7 H CYS 7 -1.616 -1.555 -4.181 45 HA CYS 7 HA CYS 7 -3.993 -2.933 -5.153 46 HB2 CYS 7 HB2 CYS 7 -2.117 -3.224 -2.874 47 HB3 CYS 7 HB3 CYS 7 -3.755 -3.797 -2.597 48 H THR 8 H THR 8 -3.320 -0.725 -2.380 49 HA THR 8 HA THR 8 -6.174 -0.622 -1.735 50 HB THR 8 HB THR 8 -5.717 0.318 0.267 51 HG1 THR 8 HG1 THR 8 -3.799 1.354 0.774 52 HG21 THR 8 HG21 THR 8 -4.724 -1.989 0.088 53 HG22 THR 8 HG22 THR 8 -4.001 -0.967 1.340 54 HG23 THR 8 HG23 THR 8 -3.139 -1.237 -0.187 55 H SER 9 H SER 9 -4.172 1.326 -3.665 56 HA SER 9 HA SER 9 -6.295 3.336 -4.065 57 HB2 SER 9 HB2 SER 9 -4.862 4.108 -2.127 58 HB3 SER 9 HB3 SER 9 -3.465 4.061 -3.203 59 HG SER 9 HG SER 9 -5.707 5.794 -3.194 60 H ILE 10 H ILE 10 -5.083 5.061 -5.717 61 HA ILE 10 HA ILE 10 -4.495 3.414 -8.088 62 HB ILE 10 HB ILE 10 -4.551 5.538 -9.324 63 HG12 ILE 10 HG12 ILE 10 -5.036 6.822 -6.598 64 HG13 ILE 10 HG13 ILE 10 -3.676 7.104 -7.684 65 HG21 ILE 10 HG21 ILE 10 -6.919 5.824 -9.210 66 HG22 ILE 10 HG22 ILE 10 -6.616 4.140 -8.803 67 HG23 ILE 10 HG23 ILE 10 -6.986 5.293 -7.514 68 HD11 ILE 10 HD11 ILE 10 -6.572 7.916 -8.103 69 HD12 ILE 10 HD12 ILE 10 -5.168 8.969 -7.866 70 HD13 ILE 10 HD13 ILE 10 -5.328 8.031 -9.366 71 H CYS 11 H CYS 11 -2.688 3.637 -9.460 72 HA CYS 11 HA CYS 11 -0.409 5.279 -8.607 73 HB2 CYS 11 HB2 CYS 11 1.170 3.600 -8.509 74 HB3 CYS 11 HB3 CYS 11 -0.150 2.975 -7.546 75 H SER 12 H SER 12 1.447 4.653 -10.504 76 HA SER 12 HA SER 12 0.120 4.746 -13.158 77 HB2 SER 12 HB2 SER 12 1.020 6.857 -13.731 78 HB3 SER 12 HB3 SER 12 0.268 7.075 -12.146 79 HG SER 12 HG SER 12 2.281 8.019 -12.087 80 H LEU 13 H LEU 13 1.711 4.833 -14.938 81 HA LEU 13 HA LEU 13 3.767 2.870 -14.795 82 HB2 LEU 13 HB2 LEU 13 3.625 5.181 -16.759 83 HB3 LEU 13 HB3 LEU 13 4.431 3.634 -16.985 84 HG LEU 13 HG LEU 13 1.416 4.092 -16.823 85 HD11 LEU 13 HD11 LEU 13 1.452 3.474 -19.202 86 HD12 LEU 13 HD12 LEU 13 3.223 3.326 -19.145 87 HD13 LEU 13 HD13 LEU 13 2.444 4.906 -18.904 88 HD21 LEU 13 HD21 LEU 13 2.914 1.515 -17.451 89 HD22 LEU 13 HD22 LEU 13 1.158 1.748 -17.488 90 HD23 LEU 13 HD23 LEU 13 2.018 1.841 -15.947 91 H TYR 14 H TYR 14 3.912 6.405 -14.330 92 HA TYR 14 HA TYR 14 6.761 6.554 -14.109 93 HB2 TYR 14 HB2 TYR 14 4.554 8.406 -13.212 94 HB3 TYR 14 HB3 TYR 14 6.257 8.743 -12.951 95 HD1 TYR 14 HD1 TYR 14 3.551 8.976 -15.305 96 HD2 TYR 14 HD2 TYR 14 7.853 8.757 -14.989 97 HE1 TYR 14 HE1 TYR 14 3.764 9.897 -17.607 98 HE2 TYR 14 HE2 TYR 14 8.058 9.704 -17.293 99 HH TYR 14 HH TYR 14 5.192 10.566 -19.263 100 H GLN 15 H GLN 15 4.337 5.756 -11.686 101 HA GLN 15 HA GLN 15 6.281 5.750 -9.490 102 HB2 GLN 15 HB2 GLN 15 3.506 4.510 -9.689 103 HB3 GLN 15 HB3 GLN 15 4.498 4.594 -8.233 104 HG2 GLN 15 HG2 GLN 15 3.337 6.960 -9.757 105 HG3 GLN 15 HG3 GLN 15 2.803 6.342 -8.198 106 HE21 GLN 15 HE21 GLN 15 4.606 6.354 -6.405 107 HE22 GLN 15 HE22 GLN 15 5.716 7.712 -6.459 108 H LEU 16 H LEU 16 4.899 3.304 -11.667 109 HA LEU 16 HA LEU 16 6.101 0.988 -10.485 110 HB2 LEU 16 HB2 LEU 16 5.038 1.633 -13.264 111 HB3 LEU 16 HB3 LEU 16 5.574 0.020 -12.830 112 HG LEU 16 HG LEU 16 3.420 1.413 -11.199 113 HD11 LEU 16 HD11 LEU 16 3.074 -0.256 -13.718 114 HD12 LEU 16 HD12 LEU 16 2.607 1.442 -13.497 115 HD13 LEU 16 HD13 LEU 16 1.758 0.183 -12.595 116 HD21 LEU 16 HD21 LEU 16 3.901 -1.540 -11.778 117 HD22 LEU 16 HD22 LEU 16 2.767 -0.826 -10.610 118 HD23 LEU 16 HD23 LEU 16 4.515 -0.711 -10.342 119 H GLU 17 H GLU 17 7.325 3.211 -13.017 120 HA GLU 17 HA GLU 17 9.591 1.771 -13.868 121 HB2 GLU 17 HB2 GLU 17 8.957 4.721 -13.613 122 HB3 GLU 17 HB3 GLU 17 10.571 4.206 -14.112 123 HG2 GLU 17 HG2 GLU 17 9.627 2.892 -15.953 124 HG3 GLU 17 HG3 GLU 17 8.005 3.432 -15.539 125 H ASN 18 H ASN 18 9.112 3.000 -10.702 126 HA ASN 18 HA ASN 18 11.942 3.361 -10.005 127 HB2 ASN 18 HB2 ASN 18 9.368 3.216 -8.379 128 HB3 ASN 18 HB3 ASN 18 10.957 3.529 -7.684 129 HD21 ASN 18 HD21 ASN 18 8.246 4.949 -9.079 130 HD22 ASN 18 HD22 ASN 18 8.918 6.556 -9.333 131 H TYR 19 H TYR 19 9.924 0.593 -10.383 132 HA TYR 19 HA TYR 19 11.306 -0.896 -8.260 133 HB2 TYR 19 HB2 TYR 19 8.690 -1.313 -9.612 134 HB3 TYR 19 HB3 TYR 19 9.440 -2.551 -8.607 135 HD1 TYR 19 HD1 TYR 19 9.371 -2.417 -6.214 136 HD2 TYR 19 HD2 TYR 19 8.226 0.980 -8.605 137 HE1 TYR 19 HE1 TYR 19 8.626 -1.216 -4.155 138 HE2 TYR 19 HE2 TYR 19 7.585 2.219 -6.564 139 HH TYR 19 HH TYR 19 7.688 2.223 -4.243 140 H CYS 20 H CYS 20 11.573 -0.766 -11.634 141 HA CYS 20 HA CYS 20 12.718 -3.304 -12.199 142 HB2 CYS 20 HB2 CYS 20 13.748 -0.719 -13.361 143 HB3 CYS 20 HB3 CYS 20 13.523 -2.268 -14.143 144 H LYS 21 H LYS 21 14.655 -4.197 -11.494 145 HA LYS 21 HA LYS 21 16.805 -2.536 -10.319 146 HB2 LYS 21 HB2 LYS 21 15.093 -2.855 -8.544 147 HB3 LYS 21 HB3 LYS 21 15.244 -4.605 -8.717 148 HG2 LYS 21 HG2 LYS 21 17.651 -4.452 -8.047 149 HG3 LYS 21 HG3 LYS 21 17.467 -2.692 -7.869 150 HD2 LYS 21 HD2 LYS 21 15.694 -3.091 -6.143 151 HD3 LYS 21 HD3 LYS 21 15.975 -4.841 -6.306 152 HE2 LYS 21 HE2 LYS 21 18.327 -4.543 -5.616 153 HE3 LYS 21 HE3 LYS 21 18.059 -2.804 -5.435 154 HZ1 LYS 21 HZ1 LYS 21 17.855 -3.954 -3.307 155 HZ2 LYS 21 HZ2 LYS 21 16.663 -4.912 -3.877 156 HZ3 LYS 21 HZ3 LYS 21 16.416 -3.303 -3.708 157 H1 PHE 1 H1 PHE 1 -2.818 9.567 -20.799 158 H2 PHE 1 H2 PHE 1 -1.501 8.738 -21.315 159 H3 PHE 1 H3 PHE 1 -1.339 9.943 -20.212 160 HA PHE 1 HA PHE 1 -2.761 7.428 -19.833 161 HB2 PHE 1 HB2 PHE 1 -0.005 8.179 -18.905 162 HB3 PHE 1 HB3 PHE 1 -0.964 6.973 -18.064 163 HD1 PHE 1 HD1 PHE 1 -1.924 4.968 -19.375 164 HD2 PHE 1 HD2 PHE 1 1.225 7.528 -20.878 165 HE1 PHE 1 HE1 PHE 1 -1.281 3.221 -21.010 166 HE2 PHE 1 HE2 PHE 1 1.871 5.765 -22.499 167 HZ PHE 1 HZ PHE 1 0.618 3.616 -22.577 168 H VAL 2 H VAL 2 -3.538 6.846 -17.763 169 HA VAL 2 HA VAL 2 -4.083 9.097 -15.915 170 HB VAL 2 HB VAL 2 -6.272 7.155 -16.676 171 HG11 VAL 2 HG11 VAL 2 -6.284 9.822 -15.181 172 HG12 VAL 2 HG12 VAL 2 -7.722 8.873 -15.603 173 HG13 VAL 2 HG13 VAL 2 -6.547 8.209 -14.474 174 HG21 VAL 2 HG21 VAL 2 -5.872 8.445 -18.697 175 HG22 VAL 2 HG22 VAL 2 -7.338 9.027 -17.909 176 HG23 VAL 2 HG23 VAL 2 -5.838 9.959 -17.759 177 H ASN 3 H ASN 3 -4.190 8.584 -13.745 178 HA ASN 3 HA ASN 3 -2.766 6.201 -12.953 179 HB2 ASN 3 HB2 ASN 3 -4.168 8.370 -11.333 180 HB3 ASN 3 HB3 ASN 3 -3.184 7.074 -10.644 181 HD21 ASN 3 HD21 ASN 3 -2.011 8.945 -9.697 182 HD22 ASN 3 HD22 ASN 3 -0.752 9.682 -10.680 183 H GLN 4 H GLN 4 -3.459 4.334 -11.970 184 HA GLN 4 HA GLN 4 -6.323 3.894 -11.411 185 HB2 GLN 4 HB2 GLN 4 -5.965 3.560 -13.863 186 HB3 GLN 4 HB3 GLN 4 -4.746 2.338 -13.506 187 HG2 GLN 4 HG2 GLN 4 -6.908 1.372 -14.129 188 HG3 GLN 4 HG3 GLN 4 -6.448 0.877 -12.516 189 HE21 GLN 4 HE21 GLN 4 -8.576 3.165 -14.315 190 HE22 GLN 4 HE22 GLN 4 -9.659 3.442 -12.961 191 H HIS 5 H HIS 5 -6.746 1.932 -10.214 192 HA HIS 5 HA HIS 5 -4.483 1.063 -8.536 193 HB2 HIS 5 HB2 HIS 5 -6.048 0.126 -7.083 194 HB3 HIS 5 HB3 HIS 5 -6.705 1.684 -7.552 195 HD1 HIS 5 HD1 HIS 5 -8.661 1.261 -9.793 196 HD2 HIS 5 HD2 HIS 5 -7.786 -1.730 -6.949 197 HE1 HIS 5 HE1 HIS 5 -10.654 -0.290 -9.765 198 H LEU 6 H LEU 6 -3.764 -1.026 -8.310 199 HA LEU 6 HA LEU 6 -4.477 -3.149 -10.248 200 HB2 LEU 6 HB2 LEU 6 -1.683 -1.985 -10.031 201 HB3 LEU 6 HB3 LEU 6 -2.133 -3.391 -10.967 202 HG LEU 6 HG LEU 6 -3.232 -0.619 -11.576 203 HD11 LEU 6 HD11 LEU 6 -0.846 -0.471 -11.717 204 HD12 LEU 6 HD12 LEU 6 -1.487 -0.588 -13.365 205 HD13 LEU 6 HD13 LEU 6 -0.763 -2.016 -12.582 206 HD21 LEU 6 HD21 LEU 6 -3.682 -1.547 -13.782 207 HD22 LEU 6 HD22 LEU 6 -4.469 -2.566 -12.570 208 HD23 LEU 6 HD23 LEU 6 -2.948 -3.095 -13.328 209 H CYS 7 H CYS 7 -4.695 -4.897 -8.890 210 HA CYS 7 HA CYS 7 -2.762 -5.169 -6.628 211 HB2 CYS 7 HB2 CYS 7 -5.125 -4.416 -6.036 212 HB3 CYS 7 HB3 CYS 7 -5.665 -6.012 -6.526 213 H GLY 8 H GLY 8 -2.153 -7.292 -6.026 214 HA2 GLY 8 HA2 GLY 8 -1.471 -9.472 -6.443 215 HA3 GLY 8 HA3 GLY 8 -3.048 -9.714 -7.207 216 H SER 9 H SER 9 -2.657 -10.701 -9.122 217 HA SER 9 HA SER 9 -0.354 -10.599 -10.691 218 HB2 SER 9 HB2 SER 9 -3.231 -11.056 -11.586 219 HB3 SER 9 HB3 SER 9 -1.775 -11.509 -12.500 220 HG SER 9 HG SER 9 -2.594 -13.273 -11.284 221 H HIS 10 H HIS 10 -3.066 -8.276 -10.761 222 HA HIS 10 HA HIS 10 -2.445 -6.997 -13.255 223 HB2 HIS 10 HB2 HIS 10 -3.741 -5.952 -10.707 224 HB3 HIS 10 HB3 HIS 10 -3.627 -5.039 -12.200 225 HD1 HIS 10 HD1 HIS 10 -5.044 -5.976 -14.334 226 HD2 HIS 10 HD2 HIS 10 -5.809 -7.624 -10.536 227 HE1 HIS 10 HE1 HIS 10 -7.335 -7.064 -14.481 228 H LEU 11 H LEU 11 -1.159 -6.449 -9.957 229 HA LEU 11 HA LEU 11 0.305 -4.045 -10.606 230 HB2 LEU 11 HB2 LEU 11 -0.365 -4.642 -8.330 231 HB3 LEU 11 HB3 LEU 11 0.581 -6.107 -8.365 232 HG LEU 11 HG LEU 11 1.467 -4.218 -7.024 233 HD11 LEU 11 HD11 LEU 11 2.933 -6.076 -7.717 234 HD12 LEU 11 HD12 LEU 11 3.772 -4.537 -7.464 235 HD13 LEU 11 HD13 LEU 11 3.466 -5.092 -9.104 236 HD21 LEU 11 HD21 LEU 11 0.943 -2.401 -8.656 237 HD22 LEU 11 HD22 LEU 11 2.297 -2.971 -9.658 238 HD23 LEU 11 HD23 LEU 11 2.595 -2.360 -8.027 239 H VAL 12 H VAL 12 1.236 -7.494 -10.325 240 HA VAL 12 HA VAL 12 3.942 -7.068 -11.090 241 HB VAL 12 HB VAL 12 2.482 -9.699 -11.457 242 HG11 VAL 12 HG11 VAL 12 4.682 -10.671 -10.927 243 HG12 VAL 12 HG12 VAL 12 4.821 -9.603 -12.322 244 HG13 VAL 12 HG13 VAL 12 5.363 -9.046 -10.723 245 HG21 VAL 12 HG21 VAL 12 3.669 -8.545 -8.895 246 HG22 VAL 12 HG22 VAL 12 1.970 -8.985 -9.182 247 HG23 VAL 12 HG23 VAL 12 3.196 -10.245 -9.125 248 H GLU 13 H GLU 13 1.082 -7.910 -13.071 249 HA GLU 13 HA GLU 13 2.414 -8.207 -15.575 250 HB2 GLU 13 HB2 GLU 13 0.139 -8.934 -15.152 251 HB3 GLU 13 HB3 GLU 13 -0.401 -7.258 -14.934 252 HG2 GLU 13 HG2 GLU 13 0.141 -6.745 -17.269 253 HG3 GLU 13 HG3 GLU 13 0.825 -8.357 -17.500 254 H ALA 14 H ALA 14 1.254 -5.265 -13.869 255 HA ALA 14 HA ALA 14 1.898 -3.477 -16.037 256 HB1 ALA 14 HB1 ALA 14 1.528 -2.898 -13.073 257 HB2 ALA 14 HB2 ALA 14 1.449 -1.737 -14.418 258 HB3 ALA 14 HB3 ALA 14 0.240 -3.024 -14.293 259 H LEU 15 H LEU 15 3.778 -4.499 -13.105 260 HA LEU 15 HA LEU 15 6.150 -2.971 -13.710 261 HB2 LEU 15 HB2 LEU 15 5.837 -5.701 -12.389 262 HB3 LEU 15 HB3 LEU 15 7.348 -4.809 -12.468 263 HG LEU 15 HG LEU 15 4.850 -3.789 -11.105 264 HD11 LEU 15 HD11 LEU 15 6.002 -4.329 -8.989 265 HD12 LEU 15 HD12 LEU 15 7.371 -5.011 -9.898 266 HD13 LEU 15 HD13 LEU 15 5.776 -5.791 -9.969 267 HD21 LEU 15 HD21 LEU 15 7.743 -2.831 -11.090 268 HD22 LEU 15 HD22 LEU 15 6.464 -2.206 -10.024 269 HD23 LEU 15 HD23 LEU 15 6.357 -1.963 -11.775 270 H TYR 16 H TYR 16 5.177 -6.233 -14.702 271 HA TYR 16 HA TYR 16 7.307 -6.834 -16.435 272 HB2 TYR 16 HB2 TYR 16 5.957 -8.597 -15.817 273 HB3 TYR 16 HB3 TYR 16 4.484 -7.752 -16.243 274 HD1 TYR 16 HD1 TYR 16 3.466 -7.895 -18.358 275 HD2 TYR 16 HD2 TYR 16 7.414 -9.512 -17.706 276 HE1 TYR 16 HE1 TYR 16 3.368 -9.021 -20.582 277 HE2 TYR 16 HE2 TYR 16 7.315 -10.640 -19.935 278 HH TYR 16 HH TYR 16 4.470 -10.343 -22.096 279 H LEU 17 H LEU 17 4.553 -4.801 -17.160 280 HA LEU 17 HA LEU 17 5.139 -4.621 -20.018 281 HB2 LEU 17 HB2 LEU 17 2.896 -4.632 -19.144 282 HB3 LEU 17 HB3 LEU 17 3.186 -3.219 -18.146 283 HG LEU 17 HG LEU 17 3.588 -2.955 -21.132 284 HD11 LEU 17 HD11 LEU 17 1.197 -2.426 -21.425 285 HD12 LEU 17 HD12 LEU 17 0.876 -2.908 -19.743 286 HD13 LEU 17 HD13 LEU 17 1.426 -4.108 -20.934 287 HD21 LEU 17 HD21 LEU 17 4.064 -0.987 -19.653 288 HD22 LEU 17 HD22 LEU 17 2.414 -1.083 -19.012 289 HD23 LEU 17 HD23 LEU 17 2.695 -0.682 -20.719 290 H VAL 18 H VAL 18 5.578 -2.607 -17.135 291 HA VAL 18 HA VAL 18 6.668 -0.285 -18.466 292 HB VAL 18 HB VAL 18 6.458 -1.282 -15.601 293 HG11 VAL 18 HG11 VAL 18 7.794 1.275 -16.521 294 HG12 VAL 18 HG12 VAL 18 7.177 0.986 -14.870 295 HG13 VAL 18 HG13 VAL 18 8.481 -0.022 -15.497 296 HG21 VAL 18 HG21 VAL 18 4.894 0.588 -15.398 297 HG22 VAL 18 HG22 VAL 18 5.286 1.145 -17.041 298 HG23 VAL 18 HG23 VAL 18 4.427 -0.387 -16.789 299 H CYS 19 H CYS 19 8.238 -2.867 -16.465 300 HA CYS 19 HA CYS 19 10.913 -1.840 -17.053 301 HB2 CYS 19 HB2 CYS 19 9.970 -4.349 -15.642 302 HB3 CYS 19 HB3 CYS 19 11.612 -3.724 -15.629 303 H GLY 20 H GLY 20 8.848 -4.374 -18.389 304 HA2 GLY 20 HA2 GLY 20 9.020 -5.505 -20.383 305 HA3 GLY 20 HA3 GLY 20 10.555 -4.698 -20.689 306 H GLU 21 H GLU 21 12.307 -5.543 -19.002 307 HA GLU 21 HA GLU 21 12.345 -8.546 -18.972 308 HB2 GLU 21 HB2 GLU 21 13.134 -7.669 -21.132 309 HB3 GLU 21 HB3 GLU 21 14.365 -6.703 -20.313 310 HG2 GLU 21 HG2 GLU 21 15.531 -8.707 -19.577 311 HG3 GLU 21 HG3 GLU 21 14.216 -9.739 -20.172 312 H ARG 22 H ARG 22 13.220 -5.650 -17.311 313 HA ARG 22 HA ARG 22 15.656 -6.511 -16.066 314 HB2 ARG 22 HB2 ARG 22 13.652 -4.441 -15.093 315 HB3 ARG 22 HB3 ARG 22 15.319 -4.585 -14.561 316 HG2 ARG 22 HG2 ARG 22 14.429 -3.830 -17.376 317 HG3 ARG 22 HG3 ARG 22 15.048 -2.742 -16.139 318 HD2 ARG 22 HD2 ARG 22 17.221 -3.954 -16.157 319 HD3 ARG 22 HD3 ARG 22 16.621 -5.027 -17.415 320 HE ARG 22 HE ARG 22 17.333 -2.156 -17.668 321 HH11 ARG 22 HH11 ARG 22 16.158 -4.986 -19.365 322 HH12 ARG 22 HH12 ARG 22 16.502 -4.300 -20.929 323 HH21 ARG 22 HH21 ARG 22 17.728 -1.341 -19.699 324 HH22 ARG 22 HH22 ARG 22 17.351 -2.293 -21.105 325 H GLY 23 H GLY 23 12.465 -7.479 -15.267 326 HA2 GLY 23 HA2 GLY 23 11.857 -9.214 -13.887 327 HA3 GLY 23 HA3 GLY 23 13.506 -9.299 -13.279 328 H PHE 24 H PHE 24 13.097 -6.295 -12.471 329 HA PHE 24 HA PHE 24 12.684 -5.167 -10.616 330 HB2 PHE 24 HB2 PHE 24 10.130 -4.995 -10.120 331 HB3 PHE 24 HB3 PHE 24 10.870 -4.398 -11.578 332 HD1 PHE 24 HD1 PHE 24 10.457 -5.318 -13.689 333 HD2 PHE 24 HD2 PHE 24 8.848 -7.176 -10.172 334 HE1 PHE 24 HE1 PHE 24 9.072 -6.807 -15.134 335 HE2 PHE 24 HE2 PHE 24 7.418 -8.645 -11.600 336 HZ PHE 24 HZ PHE 24 7.524 -8.462 -14.071 337 H PHE 25 H PHE 25 11.506 -4.731 -8.572 338 HA PHE 25 HA PHE 25 11.928 -6.972 -6.681 339 HB2 PHE 25 HB2 PHE 25 13.960 -5.980 -6.665 340 HB3 PHE 25 HB3 PHE 25 13.308 -4.355 -6.749 341 HD1 PHE 25 HD1 PHE 25 13.514 -7.314 -4.433 342 HD2 PHE 25 HD2 PHE 25 13.141 -3.028 -4.805 343 HE1 PHE 25 HE1 PHE 25 13.813 -7.071 -1.982 344 HE2 PHE 25 HE2 PHE 25 13.462 -2.791 -2.354 345 HZ PHE 25 HZ PHE 25 13.794 -4.815 -0.936 346 H TYR 26 H TYR 26 9.715 -7.257 -6.702 347 HA TYR 26 HA TYR 26 7.928 -5.298 -5.686 348 HB2 TYR 26 HB2 TYR 26 6.310 -7.311 -5.573 349 HB3 TYR 26 HB3 TYR 26 6.806 -6.540 -7.056 350 HD1 TYR 26 HD1 TYR 26 8.434 -9.230 -4.933 351 HD2 TYR 26 HD2 TYR 26 6.896 -8.057 -8.795 352 HE1 TYR 26 HE1 TYR 26 9.189 -11.396 -5.897 353 HE2 TYR 26 HE2 TYR 26 7.634 -10.236 -9.744 354 HH TYR 26 HH TYR 26 8.650 -12.245 -9.341 355 H THR 27 H THR 27 9.248 -4.662 -3.851 356 HA THR 27 HA THR 27 8.540 -6.128 -1.431 357 HB THR 27 HB THR 27 10.790 -5.191 -1.715 358 HG1 THR 27 HG1 THR 27 10.867 -4.806 0.492 359 HG21 THR 27 HG21 THR 27 10.169 -2.838 -2.358 360 HG22 THR 27 HG22 THR 27 11.228 -2.936 -0.939 361 HG23 THR 27 HG23 THR 27 9.502 -2.609 -0.720 362 HA PRO 28 HA PRO 28 4.896 -3.573 -0.729 363 HB2 PRO 28 HB2 PRO 28 3.780 -4.920 1.326 364 HB3 PRO 28 HB3 PRO 28 3.913 -5.676 -0.292 365 HG2 PRO 28 HG2 PRO 28 5.810 -5.988 2.057 366 HG3 PRO 28 HG3 PRO 28 5.029 -7.286 1.100 367 HD2 PRO 28 HD2 PRO 28 7.567 -6.363 0.587 368 HD3 PRO 28 HD3 PRO 28 6.465 -6.917 -0.719 369 H LYS 29 H LYS 29 3.877 -2.542 1.270 370 HA LYS 29 HA LYS 29 5.686 -0.780 2.629 371 HB2 LYS 29 HB2 LYS 29 3.348 -0.250 2.103 372 HB3 LYS 29 HB3 LYS 29 2.789 -1.481 3.251 373 HG2 LYS 29 HG2 LYS 29 3.836 -0.266 5.093 374 HG3 LYS 29 HG3 LYS 29 4.530 0.920 3.975 375 HD2 LYS 29 HD2 LYS 29 2.244 1.663 3.370 376 HD3 LYS 29 HD3 LYS 29 1.548 0.468 4.482 377 HE2 LYS 29 HE2 LYS 29 3.501 2.673 5.271 378 HE3 LYS 29 HE3 LYS 29 1.746 2.804 5.438 379 HZ1 LYS 29 HZ1 LYS 29 2.788 2.104 7.521 380 HZ2 LYS 29 HZ2 LYS 29 3.421 0.769 6.826 381 HZ3 LYS 29 HZ3 LYS 29 1.799 0.924 6.974 382 H THR 30 H THR 30 6.408 -0.679 4.714 383 HA THR 30 HA THR 30 7.336 -1.302 6.570 384 HB THR 30 HB THR 30 5.250 -3.258 7.365 385 HG1 THR 30 HG1 THR 30 3.917 -1.604 7.910 386 HG21 THR 30 HG21 THR 30 7.085 -2.728 8.943 387 HG22 THR 30 HG22 THR 30 5.530 -2.131 9.541 388 HG23 THR 30 HG23 THR 30 6.695 -1.003 8.816 389 H LYS 31 H LYS 31 6.313 -4.531 5.371 390 HA LYS 31 HA LYS 31 9.104 -5.441 5.436 391 HB2 LYS 31 HB2 LYS 31 8.732 -7.293 7.020 392 HB3 LYS 31 HB3 LYS 31 8.633 -5.709 7.771 393 HG2 LYS 31 HG2 LYS 31 6.131 -5.866 7.759 394 HG3 LYS 31 HG3 LYS 31 6.245 -7.455 7.004 395 HD2 LYS 31 HD2 LYS 31 5.840 -7.760 9.344 396 HD3 LYS 31 HD3 LYS 31 7.484 -8.307 8.992 397 HE2 LYS 31 HE2 LYS 31 8.385 -6.165 9.870 398 HE3 LYS 31 HE3 LYS 31 6.741 -5.580 10.153 399 HZ1 LYS 31 HZ1 LYS 31 7.964 -7.936 11.496 400 HZ2 LYS 31 HZ2 LYS 31 6.441 -7.397 11.751 401 HZ3 LYS 31 HZ3 LYS 31 7.721 -6.476 12.185 402 H ARG 32 H ARG 32 9.531 -7.117 4.180 403 HA ARG 32 HA ARG 32 7.575 -7.975 2.202 404 HB2 ARG 32 HB2 ARG 32 9.876 -7.406 1.591 405 HB3 ARG 32 HB3 ARG 32 10.497 -8.653 2.658 406 HG2 ARG 32 HG2 ARG 32 10.696 -9.352 0.384 407 HG3 ARG 32 HG3 ARG 32 9.570 -10.416 1.199 408 HD2 ARG 32 HD2 ARG 32 8.682 -8.071 -0.535 409 HD3 ARG 32 HD3 ARG 32 9.008 -9.683 -1.190 410 HE ARG 32 HE ARG 32 7.233 -9.906 1.037 411 HH11 ARG 32 HH11 ARG 32 5.268 -10.670 0.758 412 HH12 ARG 32 HH12 ARG 32 4.425 -10.514 -0.764 413 HH21 ARG 32 HH21 ARG 32 6.992 -8.820 -2.332 414 HH22 ARG 32 HH22 ARG 32 5.420 -9.554 -2.491 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 3.773 2.090 0.136 2 H2 GLY 1 H2 GLY 1 4.074 3.470 -0.687 3 H3 GLY 1 H3 GLY 1 5.193 2.880 0.354 4 HA2 GLY 1 HA2 GLY 1 5.846 2.441 -1.924 5 HA3 GLY 1 HA3 GLY 1 5.565 0.942 -1.011 6 H ILE 2 H ILE 2 5.410 1.399 -3.923 7 HA ILE 2 HA ILE 2 2.717 1.747 -4.724 8 HB ILE 2 HB ILE 2 5.229 1.481 -5.951 9 HG12 ILE 2 HG12 ILE 2 4.006 2.531 -7.911 10 HG13 ILE 2 HG13 ILE 2 2.544 2.436 -6.918 11 HG21 ILE 2 HG21 ILE 2 4.913 0.307 -7.977 12 HG22 ILE 2 HG22 ILE 2 4.746 -0.807 -6.617 13 HG23 ILE 2 HG23 ILE 2 3.293 -0.227 -7.482 14 HD11 ILE 2 HD11 ILE 2 3.790 3.755 -5.120 15 HD12 ILE 2 HD12 ILE 2 5.152 3.878 -6.261 16 HD13 ILE 2 HD13 ILE 2 3.583 4.633 -6.640 17 H VAL 3 H VAL 3 4.264 -1.255 -3.762 18 HA VAL 3 HA VAL 3 2.225 -2.974 -4.782 19 HB VAL 3 HB VAL 3 4.496 -3.640 -3.925 20 HG11 VAL 3 HG11 VAL 3 4.368 -2.526 -1.679 21 HG12 VAL 3 HG12 VAL 3 3.134 -3.714 -1.197 22 HG13 VAL 3 HG13 VAL 3 4.775 -4.243 -1.612 23 HG21 VAL 3 HG21 VAL 3 2.127 -5.254 -2.905 24 HG22 VAL 3 HG22 VAL 3 2.771 -5.270 -4.568 25 HG23 VAL 3 HG23 VAL 3 3.764 -5.852 -3.220 26 H GLU 4 H GLU 4 2.197 -0.867 -1.976 27 HA GLU 4 HA GLU 4 -0.417 -1.902 -1.031 28 HB2 GLU 4 HB2 GLU 4 1.290 -1.044 0.595 29 HB3 GLU 4 HB3 GLU 4 1.206 0.527 -0.189 30 HG2 GLU 4 HG2 GLU 4 -0.121 0.685 1.751 31 HG3 GLU 4 HG3 GLU 4 -1.235 0.671 0.392 32 H GLN 5 H GLN 5 0.916 1.102 -2.553 33 HA GLN 5 HA GLN 5 -1.529 2.464 -2.728 34 HB2 GLN 5 HB2 GLN 5 0.628 3.580 -3.080 35 HB3 GLN 5 HB3 GLN 5 0.821 2.723 -4.625 36 HG2 GLN 5 HG2 GLN 5 -1.288 3.797 -5.472 37 HG3 GLN 5 HG3 GLN 5 -1.394 4.719 -3.980 38 HE21 GLN 5 HE21 GLN 5 -1.260 5.765 -6.688 39 HE22 GLN 5 HE22 GLN 5 0.215 6.734 -6.738 40 H CYS 6 H CYS 6 -0.036 0.473 -5.369 41 HA CYS 6 HA CYS 6 -2.131 0.977 -7.236 42 HB2 CYS 6 HB2 CYS 6 -0.182 -1.337 -6.980 43 HB3 CYS 6 HB3 CYS 6 -1.213 -1.047 -8.371 44 H CYS 7 H CYS 7 -1.896 -1.478 -4.640 45 HA CYS 7 HA CYS 7 -4.221 -2.943 -5.562 46 HB2 CYS 7 HB2 CYS 7 -2.427 -2.983 -3.194 47 HB3 CYS 7 HB3 CYS 7 -4.064 -3.576 -2.928 48 H THR 8 H THR 8 -3.724 -0.383 -3.106 49 HA THR 8 HA THR 8 -6.553 -0.413 -2.396 50 HB THR 8 HB THR 8 -4.579 -0.149 -0.816 51 HG1 THR 8 HG1 THR 8 -5.895 1.013 0.567 52 HG21 THR 8 HG21 THR 8 -3.892 2.091 -0.240 53 HG22 THR 8 HG22 THR 8 -4.965 2.811 -1.460 54 HG23 THR 8 HG23 THR 8 -3.556 1.852 -1.960 55 H SER 9 H SER 9 -4.731 1.466 -4.610 56 HA SER 9 HA SER 9 -7.032 3.146 -5.401 57 HB2 SER 9 HB2 SER 9 -5.831 4.258 -3.409 58 HB3 SER 9 HB3 SER 9 -4.418 4.401 -4.469 59 HG SER 9 HG SER 9 -6.950 5.659 -4.606 60 H ILE 10 H ILE 10 -5.943 4.841 -7.057 61 HA ILE 10 HA ILE 10 -4.882 3.183 -9.234 62 HB ILE 10 HB ILE 10 -5.247 5.035 -10.654 63 HG12 ILE 10 HG12 ILE 10 -5.555 6.721 -8.135 64 HG13 ILE 10 HG13 ILE 10 -4.319 6.878 -9.384 65 HG21 ILE 10 HG21 ILE 10 -7.576 5.075 -8.684 66 HG22 ILE 10 HG22 ILE 10 -7.617 5.275 -10.441 67 HG23 ILE 10 HG23 ILE 10 -7.232 3.705 -9.751 68 HD11 ILE 10 HD11 ILE 10 -7.283 7.499 -9.675 69 HD12 ILE 10 HD12 ILE 10 -5.929 8.645 -9.651 70 HD13 ILE 10 HD13 ILE 10 -6.114 7.522 -11.018 71 H CYS 11 H CYS 11 -2.958 3.592 -10.404 72 HA CYS 11 HA CYS 11 -0.867 5.298 -9.250 73 HB2 CYS 11 HB2 CYS 11 0.684 3.547 -8.808 74 HB3 CYS 11 HB3 CYS 11 -0.797 3.152 -7.954 75 H SER 12 H SER 12 1.210 5.098 -10.663 76 HA SER 12 HA SER 12 0.431 4.793 -13.516 77 HB2 SER 12 HB2 SER 12 1.133 7.314 -12.072 78 HB3 SER 12 HB3 SER 12 1.711 7.120 -13.732 79 HG SER 12 HG SER 12 -0.463 8.070 -13.398 80 H LEU 13 H LEU 13 2.115 5.136 -15.090 81 HA LEU 13 HA LEU 13 3.967 3.047 -14.720 82 HB2 LEU 13 HB2 LEU 13 4.148 5.172 -16.870 83 HB3 LEU 13 HB3 LEU 13 4.735 3.516 -16.933 84 HG LEU 13 HG LEU 13 1.820 4.423 -16.942 85 HD11 LEU 13 HD11 LEU 13 3.529 3.070 -19.063 86 HD12 LEU 13 HD12 LEU 13 3.030 4.772 -19.047 87 HD13 LEU 13 HD13 LEU 13 1.808 3.502 -19.211 88 HD21 LEU 13 HD21 LEU 13 1.992 2.251 -15.752 89 HD22 LEU 13 HD22 LEU 13 2.926 1.587 -17.105 90 HD23 LEU 13 HD23 LEU 13 1.231 2.065 -17.334 91 H TYR 14 H TYR 14 4.558 6.566 -14.564 92 HA TYR 14 HA TYR 14 7.382 6.467 -14.369 93 HB2 TYR 14 HB2 TYR 14 5.396 8.472 -13.245 94 HB3 TYR 14 HB3 TYR 14 7.132 8.712 -13.267 95 HD1 TYR 14 HD1 TYR 14 4.106 9.131 -15.138 96 HD2 TYR 14 HD2 TYR 14 8.371 8.582 -15.549 97 HE1 TYR 14 HE1 TYR 14 4.004 10.044 -17.447 98 HE2 TYR 14 HE2 TYR 14 8.262 9.506 -17.866 99 HH TYR 14 HH TYR 14 5.173 10.582 -19.343 100 H GLN 15 H GLN 15 4.979 6.064 -11.844 101 HA GLN 15 HA GLN 15 6.889 5.875 -9.642 102 HB2 GLN 15 HB2 GLN 15 3.909 5.207 -9.890 103 HB3 GLN 15 HB3 GLN 15 4.855 5.137 -8.419 104 HG2 GLN 15 HG2 GLN 15 3.754 7.185 -8.273 105 HG3 GLN 15 HG3 GLN 15 5.406 7.595 -8.712 106 HE21 GLN 15 HE21 GLN 15 4.248 9.700 -9.289 107 HE22 GLN 15 HE22 GLN 15 3.553 9.796 -10.900 108 H LEU 16 H LEU 16 5.169 3.550 -11.751 109 HA LEU 16 HA LEU 16 6.034 1.179 -10.350 110 HB2 LEU 16 HB2 LEU 16 5.054 1.784 -13.170 111 HB3 LEU 16 HB3 LEU 16 5.492 0.153 -12.708 112 HG LEU 16 HG LEU 16 3.424 1.716 -11.104 113 HD11 LEU 16 HD11 LEU 16 2.981 -0.041 -13.557 114 HD12 LEU 16 HD12 LEU 16 2.625 1.693 -13.404 115 HD13 LEU 16 HD13 LEU 16 1.704 0.522 -12.450 116 HD21 LEU 16 HD21 LEU 16 3.821 -1.279 -11.560 117 HD22 LEU 16 HD22 LEU 16 2.651 -0.507 -10.472 118 HD23 LEU 16 HD23 LEU 16 4.387 -0.401 -10.131 119 H GLU 17 H GLU 17 7.505 3.008 -13.090 120 HA GLU 17 HA GLU 17 9.701 1.328 -13.673 121 HB2 GLU 17 HB2 GLU 17 9.359 4.349 -13.685 122 HB3 GLU 17 HB3 GLU 17 10.881 3.590 -14.149 123 HG2 GLU 17 HG2 GLU 17 9.764 2.299 -15.902 124 HG3 GLU 17 HG3 GLU 17 8.219 3.050 -15.494 125 H ASN 18 H ASN 18 9.222 3.210 -10.776 126 HA ASN 18 HA ASN 18 11.994 3.432 -9.967 127 HB2 ASN 18 HB2 ASN 18 9.969 4.863 -9.251 128 HB3 ASN 18 HB3 ASN 18 9.479 3.496 -8.249 129 HD21 ASN 18 HD21 ASN 18 9.651 4.741 -6.351 130 HD22 ASN 18 HD22 ASN 18 11.221 5.221 -5.709 131 H TYR 19 H TYR 19 9.793 0.757 -9.986 132 HA TYR 19 HA TYR 19 11.115 -0.575 -7.740 133 HB2 TYR 19 HB2 TYR 19 8.591 -1.183 -9.222 134 HB3 TYR 19 HB3 TYR 19 9.344 -2.357 -8.146 135 HD1 TYR 19 HD1 TYR 19 7.953 1.111 -8.301 136 HD2 TYR 19 HD2 TYR 19 9.274 -2.115 -5.740 137 HE1 TYR 19 HE1 TYR 19 7.269 2.402 -6.331 138 HE2 TYR 19 HE2 TYR 19 8.507 -0.839 -3.749 139 HH TYR 19 HH TYR 19 7.876 1.273 -2.998 140 H CYS 20 H CYS 20 11.717 -0.488 -10.957 141 HA CYS 20 HA CYS 20 12.851 -3.136 -11.329 142 HB2 CYS 20 HB2 CYS 20 13.078 -0.649 -13.037 143 HB3 CYS 20 HB3 CYS 20 13.311 -2.324 -13.544 144 H LYS 21 H LYS 21 14.719 -3.731 -10.484 145 HA LYS 21 HA LYS 21 17.039 -1.904 -10.319 146 HB2 LYS 21 HB2 LYS 21 17.219 -2.245 -7.847 147 HB3 LYS 21 HB3 LYS 21 15.904 -1.214 -8.393 148 HG2 LYS 21 HG2 LYS 21 14.285 -3.052 -8.087 149 HG3 LYS 21 HG3 LYS 21 15.573 -4.114 -7.530 150 HD2 LYS 21 HD2 LYS 21 15.970 -2.733 -5.582 151 HD3 LYS 21 HD3 LYS 21 14.875 -1.472 -6.168 152 HE2 LYS 21 HE2 LYS 21 14.000 -4.328 -5.591 153 HE3 LYS 21 HE3 LYS 21 13.965 -3.061 -4.365 154 HZ1 LYS 21 HZ1 LYS 21 12.494 -2.872 -6.936 155 HZ2 LYS 21 HZ2 LYS 21 12.367 -1.858 -5.649 156 HZ3 LYS 21 HZ3 LYS 21 11.820 -3.401 -5.538 157 H1 PHE 1 H1 PHE 1 -3.818 13.962 -15.180 158 H2 PHE 1 H2 PHE 1 -2.778 14.183 -16.430 159 H3 PHE 1 H3 PHE 1 -2.350 13.237 -15.156 160 HA PHE 1 HA PHE 1 -4.519 12.702 -17.015 161 HB2 PHE 1 HB2 PHE 1 -3.098 10.680 -17.728 162 HB3 PHE 1 HB3 PHE 1 -2.805 12.271 -18.395 163 HD1 PHE 1 HD1 PHE 1 -0.666 13.309 -18.255 164 HD2 PHE 1 HD2 PHE 1 -1.557 9.882 -15.788 165 HE1 PHE 1 HE1 PHE 1 1.707 13.199 -17.546 166 HE2 PHE 1 HE2 PHE 1 0.815 9.773 -15.081 167 HZ PHE 1 HZ PHE 1 2.451 11.430 -15.946 168 H VAL 2 H VAL 2 -5.808 10.936 -16.844 169 HA VAL 2 HA VAL 2 -6.072 9.843 -14.132 170 HB VAL 2 HB VAL 2 -7.833 9.197 -16.503 171 HG11 VAL 2 HG11 VAL 2 -8.304 9.105 -13.491 172 HG12 VAL 2 HG12 VAL 2 -9.551 8.833 -14.720 173 HG13 VAL 2 HG13 VAL 2 -8.209 7.710 -14.592 174 HG21 VAL 2 HG21 VAL 2 -8.123 11.499 -14.534 175 HG22 VAL 2 HG22 VAL 2 -7.870 11.633 -16.288 176 HG23 VAL 2 HG23 VAL 2 -9.370 10.960 -15.673 177 H ASN 3 H ASN 3 -6.028 7.656 -13.556 178 HA ASN 3 HA ASN 3 -5.243 5.627 -15.511 179 HB2 ASN 3 HB2 ASN 3 -3.161 6.870 -14.308 180 HB3 ASN 3 HB3 ASN 3 -3.504 5.706 -13.038 181 HD21 ASN 3 HD21 ASN 3 -1.147 5.875 -14.768 182 HD22 ASN 3 HD22 ASN 3 -1.112 4.372 -15.713 183 H GLN 4 H GLN 4 -4.846 3.464 -13.959 184 HA GLN 4 HA GLN 4 -7.280 3.255 -12.260 185 HB2 GLN 4 HB2 GLN 4 -7.603 2.549 -14.648 186 HB3 GLN 4 HB3 GLN 4 -6.370 1.313 -14.426 187 HG2 GLN 4 HG2 GLN 4 -8.648 0.386 -14.289 188 HG3 GLN 4 HG3 GLN 4 -7.799 0.160 -12.768 189 HE21 GLN 4 HE21 GLN 4 -10.355 2.110 -14.392 190 HE22 GLN 4 HE22 GLN 4 -11.005 2.748 -12.889 191 H HIS 5 H HIS 5 -7.378 1.421 -10.824 192 HA HIS 5 HA HIS 5 -4.874 0.916 -9.427 193 HB2 HIS 5 HB2 HIS 5 -6.193 -0.179 -7.782 194 HB3 HIS 5 HB3 HIS 5 -7.034 1.277 -8.265 195 HD1 HIS 5 HD1 HIS 5 -9.269 0.783 -9.959 196 HD2 HIS 5 HD2 HIS 5 -7.534 -2.398 -7.808 197 HE1 HIS 5 HE1 HIS 5 -11.022 -1.035 -9.851 198 H LEU 6 H LEU 6 -4.085 -1.182 -8.826 199 HA LEU 6 HA LEU 6 -4.372 -3.422 -10.750 200 HB2 LEU 6 HB2 LEU 6 -1.786 -1.897 -10.278 201 HB3 LEU 6 HB3 LEU 6 -1.907 -3.420 -11.129 202 HG LEU 6 HG LEU 6 -3.210 -0.849 -12.080 203 HD11 LEU 6 HD11 LEU 6 -1.269 -0.776 -13.670 204 HD12 LEU 6 HD12 LEU 6 -0.523 -2.068 -12.687 205 HD13 LEU 6 HD13 LEU 6 -0.859 -0.487 -11.971 206 HD21 LEU 6 HD21 LEU 6 -3.317 -1.983 -14.254 207 HD22 LEU 6 HD22 LEU 6 -4.155 -2.968 -13.051 208 HD23 LEU 6 HD23 LEU 6 -2.510 -3.411 -13.590 209 H CYS 7 H CYS 7 -4.840 -4.963 -9.150 210 HA CYS 7 HA CYS 7 -2.939 -5.109 -6.840 211 HB2 CYS 7 HB2 CYS 7 -5.355 -4.432 -6.361 212 HB3 CYS 7 HB3 CYS 7 -5.802 -6.075 -6.780 213 H GLY 8 H GLY 8 -2.309 -7.180 -6.074 214 HA2 GLY 8 HA2 GLY 8 -1.574 -9.362 -6.312 215 HA3 GLY 8 HA3 GLY 8 -3.042 -9.674 -7.234 216 H SER 9 H SER 9 -2.497 -10.639 -9.119 217 HA SER 9 HA SER 9 0.036 -10.506 -10.396 218 HB2 SER 9 HB2 SER 9 -1.128 -11.635 -12.275 219 HB3 SER 9 HB3 SER 9 -1.475 -12.374 -10.704 220 HG SER 9 HG SER 9 -3.377 -12.077 -11.978 221 H HIS 10 H HIS 10 -2.775 -8.360 -10.776 222 HA HIS 10 HA HIS 10 -2.058 -7.201 -13.286 223 HB2 HIS 10 HB2 HIS 10 -3.585 -6.111 -10.896 224 HB3 HIS 10 HB3 HIS 10 -3.400 -5.237 -12.397 225 HD1 HIS 10 HD1 HIS 10 -4.636 -6.234 -14.594 226 HD2 HIS 10 HD2 HIS 10 -5.470 -8.027 -10.875 227 HE1 HIS 10 HE1 HIS 10 -6.778 -7.571 -14.917 228 H LEU 11 H LEU 11 -0.933 -6.412 -9.986 229 HA LEU 11 HA LEU 11 0.467 -3.986 -10.664 230 HB2 LEU 11 HB2 LEU 11 -0.149 -4.486 -8.388 231 HB3 LEU 11 HB3 LEU 11 0.690 -6.016 -8.397 232 HG LEU 11 HG LEU 11 1.693 -4.185 -7.063 233 HD11 LEU 11 HD11 LEU 11 3.963 -4.680 -7.447 234 HD12 LEU 11 HD12 LEU 11 3.675 -5.206 -9.103 235 HD13 LEU 11 HD13 LEU 11 3.036 -6.157 -7.742 236 HD21 LEU 11 HD21 LEU 11 2.626 -3.023 -9.700 237 HD22 LEU 11 HD22 LEU 11 3.004 -2.454 -8.073 238 HD23 LEU 11 HD23 LEU 11 1.343 -2.352 -8.680 239 H VAL 12 H VAL 12 1.519 -7.413 -10.356 240 HA VAL 12 HA VAL 12 4.196 -6.904 -11.170 241 HB VAL 12 HB VAL 12 2.903 -9.618 -11.463 242 HG11 VAL 12 HG11 VAL 12 5.715 -8.681 -10.751 243 HG12 VAL 12 HG12 VAL 12 5.178 -10.371 -10.786 244 HG13 VAL 12 HG13 VAL 12 5.205 -9.431 -12.278 245 HG21 VAL 12 HG21 VAL 12 3.542 -10.052 -9.097 246 HG22 VAL 12 HG22 VAL 12 3.873 -8.321 -8.886 247 HG23 VAL 12 HG23 VAL 12 2.229 -8.899 -9.239 248 H GLU 13 H GLU 13 1.354 -7.902 -13.060 249 HA GLU 13 HA GLU 13 2.639 -8.306 -15.573 250 HB2 GLU 13 HB2 GLU 13 0.323 -9.000 -15.045 251 HB3 GLU 13 HB3 GLU 13 -0.152 -7.323 -14.869 252 HG2 GLU 13 HG2 GLU 13 -0.960 -8.072 -16.957 253 HG3 GLU 13 HG3 GLU 13 0.323 -6.920 -17.281 254 H ALA 14 H ALA 14 1.452 -5.297 -14.018 255 HA ALA 14 HA ALA 14 2.057 -3.597 -16.252 256 HB1 ALA 14 HB1 ALA 14 1.740 -1.784 -14.652 257 HB2 ALA 14 HB2 ALA 14 0.473 -3.008 -14.489 258 HB3 ALA 14 HB3 ALA 14 1.791 -2.936 -13.295 259 H LEU 15 H LEU 15 3.999 -4.391 -13.284 260 HA LEU 15 HA LEU 15 6.334 -2.891 -14.016 261 HB2 LEU 15 HB2 LEU 15 6.111 -5.549 -12.540 262 HB3 LEU 15 HB3 LEU 15 7.573 -4.582 -12.636 263 HG LEU 15 HG LEU 15 4.988 -3.616 -11.376 264 HD11 LEU 15 HD11 LEU 15 5.958 -5.532 -10.146 265 HD12 LEU 15 HD12 LEU 15 6.121 -4.024 -9.226 266 HD13 LEU 15 HD13 LEU 15 7.527 -4.706 -10.082 267 HD21 LEU 15 HD21 LEU 15 6.477 -1.780 -12.113 268 HD22 LEU 15 HD22 LEU 15 7.842 -2.528 -11.267 269 HD23 LEU 15 HD23 LEU 15 6.454 -1.898 -10.350 270 H TYR 16 H TYR 16 5.411 -6.219 -14.830 271 HA TYR 16 HA TYR 16 7.611 -6.861 -16.478 272 HB2 TYR 16 HB2 TYR 16 6.286 -8.615 -15.704 273 HB3 TYR 16 HB3 TYR 16 4.814 -7.892 -16.317 274 HD1 TYR 16 HD1 TYR 16 7.763 -9.865 -17.217 275 HD2 TYR 16 HD2 TYR 16 4.136 -8.048 -18.655 276 HE1 TYR 16 HE1 TYR 16 7.953 -11.179 -19.324 277 HE2 TYR 16 HE2 TYR 16 4.313 -9.362 -20.769 278 HH TYR 16 HH TYR 16 7.010 -11.654 -21.362 279 H LEU 17 H LEU 17 4.722 -5.085 -17.403 280 HA LEU 17 HA LEU 17 5.393 -5.072 -20.245 281 HB2 LEU 17 HB2 LEU 17 3.076 -5.094 -19.419 282 HB3 LEU 17 HB3 LEU 17 3.347 -3.589 -18.546 283 HG LEU 17 HG LEU 17 3.682 -2.388 -20.719 284 HD11 LEU 17 HD11 LEU 17 4.399 -4.259 -22.164 285 HD12 LEU 17 HD12 LEU 17 2.935 -3.511 -22.807 286 HD13 LEU 17 HD13 LEU 17 2.830 -5.056 -21.933 287 HD21 LEU 17 HD21 LEU 17 1.071 -3.937 -20.481 288 HD22 LEU 17 HD22 LEU 17 1.314 -2.417 -21.365 289 HD23 LEU 17 HD23 LEU 17 1.481 -2.448 -19.604 290 H VAL 18 H VAL 18 5.723 -2.886 -17.493 291 HA VAL 18 HA VAL 18 6.658 -0.555 -18.932 292 HB VAL 18 HB VAL 18 6.569 -1.465 -16.035 293 HG11 VAL 18 HG11 VAL 18 7.649 1.182 -17.016 294 HG12 VAL 18 HG12 VAL 18 7.188 0.804 -15.334 295 HG13 VAL 18 HG13 VAL 18 8.525 -0.064 -16.088 296 HG21 VAL 18 HG21 VAL 18 4.453 -0.712 -17.197 297 HG22 VAL 18 HG22 VAL 18 4.908 0.327 -15.833 298 HG23 VAL 18 HG23 VAL 18 5.226 0.847 -17.509 299 H CYS 19 H CYS 19 8.402 -3.118 -17.048 300 HA CYS 19 HA CYS 19 10.982 -1.982 -18.035 301 HB2 CYS 19 HB2 CYS 19 10.199 -3.569 -15.594 302 HB3 CYS 19 HB3 CYS 19 11.885 -3.345 -16.056 303 H GLY 20 H GLY 20 9.072 -4.804 -18.713 304 HA2 GLY 20 HA2 GLY 20 9.577 -6.551 -20.133 305 HA3 GLY 20 HA3 GLY 20 11.116 -5.774 -20.502 306 H GLU 21 H GLU 21 9.980 -6.894 -17.345 307 HA GLU 21 HA GLU 21 10.792 -8.306 -15.774 308 HB2 GLU 21 HB2 GLU 21 10.031 -9.806 -17.782 309 HB3 GLU 21 HB3 GLU 21 11.743 -10.202 -17.906 310 HG2 GLU 21 HG2 GLU 21 11.654 -10.873 -15.442 311 HG3 GLU 21 HG3 GLU 21 9.922 -10.559 -15.477 312 H ARG 22 H ARG 22 12.732 -6.286 -16.775 313 HA ARG 22 HA ARG 22 15.326 -7.402 -16.999 314 HB2 ARG 22 HB2 ARG 22 14.271 -5.033 -17.556 315 HB3 ARG 22 HB3 ARG 22 14.930 -4.568 -16.003 316 HG2 ARG 22 HG2 ARG 22 16.501 -5.817 -18.323 317 HG3 ARG 22 HG3 ARG 22 16.303 -4.089 -18.086 318 HD2 ARG 22 HD2 ARG 22 17.802 -5.962 -16.220 319 HD3 ARG 22 HD3 ARG 22 18.494 -4.830 -17.358 320 HE ARG 22 HE ARG 22 17.533 -2.961 -16.080 321 HH11 ARG 22 HH11 ARG 22 17.799 -5.998 -14.271 322 HH12 ARG 22 HH12 ARG 22 17.878 -5.078 -12.754 323 HH21 ARG 22 HH21 ARG 22 17.554 -2.019 -14.009 324 HH22 ARG 22 HH22 ARG 22 17.699 -3.122 -12.630 325 H GLY 23 H GLY 23 13.693 -6.244 -14.034 326 HA2 GLY 23 HA2 GLY 23 15.076 -8.026 -12.357 327 HA3 GLY 23 HA3 GLY 23 16.066 -6.570 -12.359 328 H PHE 24 H PHE 24 12.542 -6.195 -12.404 329 HA PHE 24 HA PHE 24 12.610 -4.741 -9.965 330 HB2 PHE 24 HB2 PHE 24 10.070 -4.761 -10.152 331 HB3 PHE 24 HB3 PHE 24 10.977 -4.003 -11.426 332 HD1 PHE 24 HD1 PHE 24 9.116 -7.112 -10.567 333 HD2 PHE 24 HD2 PHE 24 10.849 -4.694 -13.682 334 HE1 PHE 24 HE1 PHE 24 8.028 -8.542 -12.267 335 HE2 PHE 24 HE2 PHE 24 9.722 -6.101 -15.393 336 HZ PHE 24 HZ PHE 24 8.347 -8.066 -14.685 337 H PHE 25 H PHE 25 11.536 -4.872 -8.093 338 HA PHE 25 HA PHE 25 10.209 -7.272 -7.372 339 HB2 PHE 25 HB2 PHE 25 11.293 -7.757 -5.200 340 HB3 PHE 25 HB3 PHE 25 11.997 -8.357 -6.674 341 HD1 PHE 25 HD1 PHE 25 12.603 -6.485 -3.669 342 HD2 PHE 25 HD2 PHE 25 14.104 -7.279 -7.635 343 HE1 PHE 25 HE1 PHE 25 14.868 -5.778 -2.948 344 HE2 PHE 25 HE2 PHE 25 16.364 -6.543 -6.921 345 HZ PHE 25 HZ PHE 25 16.757 -5.811 -4.576 346 H TYR 26 H TYR 26 8.496 -7.036 -6.292 347 HA TYR 26 HA TYR 26 7.772 -4.347 -5.510 348 HB2 TYR 26 HB2 TYR 26 5.430 -5.346 -5.431 349 HB3 TYR 26 HB3 TYR 26 6.265 -5.145 -6.952 350 HD1 TYR 26 HD1 TYR 26 7.052 -7.033 -8.299 351 HD2 TYR 26 HD2 TYR 26 5.065 -7.641 -4.512 352 HE1 TYR 26 HE1 TYR 26 6.858 -9.471 -8.781 353 HE2 TYR 26 HE2 TYR 26 4.834 -10.063 -5.022 354 HH TYR 26 HH TYR 26 5.286 -11.752 -6.510 355 H THR 27 H THR 27 9.476 -4.799 -3.710 356 HA THR 27 HA THR 27 9.291 -6.294 -1.606 357 HB THR 27 HB THR 27 10.001 -3.466 -1.007 358 HG1 THR 27 HG1 THR 27 11.926 -3.821 -2.082 359 HG21 THR 27 HG21 THR 27 11.338 -6.139 -0.424 360 HG22 THR 27 HG22 THR 27 10.336 -5.214 0.723 361 HG23 THR 27 HG23 THR 27 11.867 -4.539 0.150 362 HA PRO 28 HA PRO 28 5.381 -5.196 0.348 363 HB2 PRO 28 HB2 PRO 28 4.876 -7.504 1.697 364 HB3 PRO 28 HB3 PRO 28 4.728 -7.367 -0.080 365 HG2 PRO 28 HG2 PRO 28 7.069 -8.436 1.525 366 HG3 PRO 28 HG3 PRO 28 6.258 -9.196 0.122 367 HD2 PRO 28 HD2 PRO 28 8.548 -7.727 -0.140 368 HD3 PRO 28 HD3 PRO 28 7.269 -7.719 -1.393 369 H LYS 29 H LYS 29 4.546 -4.906 2.477 370 HA LYS 29 HA LYS 29 6.293 -3.609 4.274 371 HB2 LYS 29 HB2 LYS 29 4.350 -3.363 5.714 372 HB3 LYS 29 HB3 LYS 29 3.909 -3.094 4.028 373 HG2 LYS 29 HG2 LYS 29 2.907 -5.390 3.928 374 HG3 LYS 29 HG3 LYS 29 3.414 -5.678 5.591 375 HD2 LYS 29 HD2 LYS 29 1.095 -5.131 5.665 376 HD3 LYS 29 HD3 LYS 29 1.992 -3.782 6.355 377 HE2 LYS 29 HE2 LYS 29 0.267 -2.841 5.014 378 HE3 LYS 29 HE3 LYS 29 1.777 -2.566 4.152 379 HZ1 LYS 29 HZ1 LYS 29 1.207 -4.463 2.708 380 HZ2 LYS 29 HZ2 LYS 29 -0.001 -3.360 2.676 381 HZ3 LYS 29 HZ3 LYS 29 -0.172 -4.728 3.547 382 H THR 30 H THR 30 5.742 -6.985 4.119 383 HA THR 30 HA THR 30 6.429 -7.636 6.844 384 HB THR 30 HB THR 30 6.376 -9.874 6.253 385 HG1 THR 30 HG1 THR 30 6.529 -10.586 4.130 386 HG21 THR 30 HG21 THR 30 4.322 -10.236 5.050 387 HG22 THR 30 HG22 THR 30 4.438 -8.669 4.226 388 HG23 THR 30 HG23 THR 30 4.129 -8.737 5.975 389 H LYS 31 H LYS 31 8.396 -6.819 4.088 390 HA LYS 31 HA LYS 31 10.826 -8.127 5.103 391 HB2 LYS 31 HB2 LYS 31 10.556 -6.014 2.935 392 HB3 LYS 31 HB3 LYS 31 11.944 -7.043 3.227 393 HG2 LYS 31 HG2 LYS 31 9.208 -7.877 2.203 394 HG3 LYS 31 HG3 LYS 31 10.717 -7.848 1.299 395 HD2 LYS 31 HD2 LYS 31 10.047 -9.755 3.580 396 HD3 LYS 31 HD3 LYS 31 10.050 -10.129 1.855 397 HE2 LYS 31 HE2 LYS 31 12.481 -9.587 1.733 398 HE3 LYS 31 HE3 LYS 31 12.489 -9.268 3.474 399 HZ1 LYS 31 HZ1 LYS 31 11.826 -11.887 2.227 400 HZ2 LYS 31 HZ2 LYS 31 11.834 -11.593 3.835 401 HZ3 LYS 31 HZ3 LYS 31 13.225 -11.524 2.986 402 H ARG 32 H ARG 32 12.564 -7.194 6.117 403 HA ARG 32 HA ARG 32 12.556 -4.346 6.852 404 HB2 ARG 32 HB2 ARG 32 11.106 -5.800 8.536 405 HB3 ARG 32 HB3 ARG 32 12.664 -6.398 9.085 406 HG2 ARG 32 HG2 ARG 32 12.194 -4.615 10.541 407 HG3 ARG 32 HG3 ARG 32 13.326 -3.912 9.391 408 HD2 ARG 32 HD2 ARG 32 11.660 -2.281 9.613 409 HD3 ARG 32 HD3 ARG 32 11.237 -3.066 8.097 410 HE ARG 32 HE ARG 32 9.862 -3.310 10.734 411 HH11 ARG 32 HH11 ARG 32 9.640 -4.089 7.280 412 HH12 ARG 32 HH12 ARG 32 7.922 -4.325 7.409 413 HH21 ARG 32 HH21 ARG 32 7.699 -3.731 10.759 414 HH22 ARG 32 HH22 ARG 32 6.881 -4.122 9.273 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 8.356 -1.757 1.151 2 H2 GLY 1 H2 GLY 1 6.732 -1.535 1.152 3 H3 GLY 1 H3 GLY 1 7.731 -0.237 1.104 4 HA2 GLY 1 HA2 GLY 1 8.542 -0.866 -1.078 5 HA3 GLY 1 HA3 GLY 1 7.474 -2.279 -1.010 6 H ILE 2 H ILE 2 7.634 0.187 -2.793 7 HA ILE 2 HA ILE 2 5.417 1.905 -2.386 8 HB ILE 2 HB ILE 2 7.288 2.506 -3.763 9 HG12 ILE 2 HG12 ILE 2 4.731 2.341 -5.438 10 HG13 ILE 2 HG13 ILE 2 5.206 3.631 -4.326 11 HG21 ILE 2 HG21 ILE 2 7.748 0.185 -4.715 12 HG22 ILE 2 HG22 ILE 2 6.381 0.477 -5.829 13 HG23 ILE 2 HG23 ILE 2 7.855 1.467 -5.879 14 HD11 ILE 2 HD11 ILE 2 6.459 2.852 -6.979 15 HD12 ILE 2 HD12 ILE 2 5.643 4.371 -6.547 16 HD13 ILE 2 HD13 ILE 2 7.229 4.007 -5.845 17 H VAL 3 H VAL 3 5.404 -1.372 -3.657 18 HA VAL 3 HA VAL 3 2.908 -1.493 -4.888 19 HB VAL 3 HB VAL 3 4.484 -3.365 -4.698 20 HG11 VAL 3 HG11 VAL 3 4.564 -4.809 -2.754 21 HG12 VAL 3 HG12 VAL 3 5.045 -3.183 -2.262 22 HG13 VAL 3 HG13 VAL 3 3.419 -3.783 -1.871 23 HG21 VAL 3 HG21 VAL 3 2.092 -3.776 -5.323 24 HG22 VAL 3 HG22 VAL 3 2.893 -5.159 -4.572 25 HG23 VAL 3 HG23 VAL 3 1.752 -4.178 -3.635 26 H GLU 4 H GLU 4 3.530 -0.955 -1.441 27 HA GLU 4 HA GLU 4 0.849 -1.427 -0.517 28 HB2 GLU 4 HB2 GLU 4 2.688 -1.111 1.064 29 HB3 GLU 4 HB3 GLU 4 2.980 0.513 0.443 30 HG2 GLU 4 HG2 GLU 4 1.887 0.639 2.576 31 HG3 GLU 4 HG3 GLU 4 0.874 1.332 1.330 32 H GLN 5 H GLN 5 2.356 1.610 -1.780 33 HA GLN 5 HA GLN 5 -0.044 3.192 -1.558 34 HB2 GLN 5 HB2 GLN 5 2.303 4.061 -1.792 35 HB3 GLN 5 HB3 GLN 5 2.299 3.582 -3.488 36 HG2 GLN 5 HG2 GLN 5 0.080 5.382 -2.448 37 HG3 GLN 5 HG3 GLN 5 1.685 6.045 -2.668 38 HE21 GLN 5 HE21 GLN 5 -0.993 4.479 -4.498 39 HE22 GLN 5 HE22 GLN 5 -0.579 5.271 -6.001 40 H CYS 6 H CYS 6 1.431 1.311 -4.194 41 HA CYS 6 HA CYS 6 -0.445 2.053 -6.200 42 HB2 CYS 6 HB2 CYS 6 1.931 1.159 -6.395 43 HB3 CYS 6 HB3 CYS 6 1.279 -0.441 -6.043 44 H CYS 7 H CYS 7 -0.490 -0.606 -3.840 45 HA CYS 7 HA CYS 7 -2.866 -1.915 -4.896 46 HB2 CYS 7 HB2 CYS 7 -1.104 -3.049 -3.576 47 HB3 CYS 7 HB3 CYS 7 -1.463 -2.030 -2.199 48 H THR 8 H THR 8 -2.215 0.244 -2.093 49 HA THR 8 HA THR 8 -4.966 0.214 -1.269 50 HB THR 8 HB THR 8 -2.876 0.252 0.170 51 HG1 THR 8 HG1 THR 8 -4.051 1.174 1.812 52 HG21 THR 8 HG21 THR 8 -3.271 3.264 0.138 53 HG22 THR 8 HG22 THR 8 -2.043 2.473 -0.867 54 HG23 THR 8 HG23 THR 8 -1.963 2.295 0.885 55 H SER 9 H SER 9 -3.377 2.306 -3.418 56 HA SER 9 HA SER 9 -5.788 3.994 -3.714 57 HB2 SER 9 HB2 SER 9 -4.230 5.165 -2.127 58 HB3 SER 9 HB3 SER 9 -2.993 5.160 -3.396 59 HG SER 9 HG SER 9 -4.256 7.116 -3.299 60 H ILE 10 H ILE 10 -5.344 5.475 -5.749 61 HA ILE 10 HA ILE 10 -4.886 3.620 -7.921 62 HB ILE 10 HB ILE 10 -5.242 5.542 -9.430 63 HG12 ILE 10 HG12 ILE 10 -5.557 7.132 -6.831 64 HG13 ILE 10 HG13 ILE 10 -4.344 7.379 -8.097 65 HG21 ILE 10 HG21 ILE 10 -7.057 4.057 -8.470 66 HG22 ILE 10 HG22 ILE 10 -7.388 5.325 -7.278 67 HG23 ILE 10 HG23 ILE 10 -7.600 5.634 -9.023 68 HD11 ILE 10 HD11 ILE 10 -7.339 7.833 -8.283 69 HD12 ILE 10 HD12 ILE 10 -6.045 9.043 -8.358 70 HD13 ILE 10 HD13 ILE 10 -6.247 7.875 -9.688 71 H CYS 11 H CYS 11 -3.425 3.682 -9.585 72 HA CYS 11 HA CYS 11 -0.703 4.694 -8.945 73 HB2 CYS 11 HB2 CYS 11 -1.375 2.382 -8.073 74 HB3 CYS 11 HB3 CYS 11 -1.522 1.867 -9.745 75 H SER 12 H SER 12 0.766 4.490 -10.805 76 HA SER 12 HA SER 12 -0.375 4.274 -13.513 77 HB2 SER 12 HB2 SER 12 -0.828 6.606 -12.779 78 HB3 SER 12 HB3 SER 12 0.901 6.835 -12.457 79 HG SER 12 HG SER 12 0.024 7.540 -14.579 80 H LEU 13 H LEU 13 1.473 4.755 -15.116 81 HA LEU 13 HA LEU 13 3.511 2.817 -14.802 82 HB2 LEU 13 HB2 LEU 13 3.660 5.253 -16.605 83 HB3 LEU 13 HB3 LEU 13 4.400 3.684 -16.865 84 HG LEU 13 HG LEU 13 1.422 4.355 -17.006 85 HD11 LEU 13 HD11 LEU 13 2.756 5.158 -18.908 86 HD12 LEU 13 HD12 LEU 13 1.664 3.847 -19.385 87 HD13 LEU 13 HD13 LEU 13 3.396 3.520 -19.162 88 HD21 LEU 13 HD21 LEU 13 1.738 2.015 -16.183 89 HD22 LEU 13 HD22 LEU 13 2.752 1.683 -17.607 90 HD23 LEU 13 HD23 LEU 13 1.035 2.085 -17.801 91 H TYR 14 H TYR 14 3.540 6.248 -13.986 92 HA TYR 14 HA TYR 14 6.284 6.586 -13.438 93 HB2 TYR 14 HB2 TYR 14 3.819 7.993 -12.419 94 HB3 TYR 14 HB3 TYR 14 5.436 8.454 -11.921 95 HD1 TYR 14 HD1 TYR 14 7.166 9.153 -13.637 96 HD2 TYR 14 HD2 TYR 14 2.974 8.707 -14.576 97 HE1 TYR 14 HE1 TYR 14 7.472 10.557 -15.680 98 HE2 TYR 14 HE2 TYR 14 3.282 10.087 -16.616 99 HH TYR 14 HH TYR 14 4.747 11.285 -17.907 100 H GLN 15 H GLN 15 3.874 5.085 -11.336 101 HA GLN 15 HA GLN 15 5.605 4.964 -8.998 102 HB2 GLN 15 HB2 GLN 15 3.072 3.526 -9.829 103 HB3 GLN 15 HB3 GLN 15 4.008 2.993 -8.458 104 HG2 GLN 15 HG2 GLN 15 2.441 4.317 -7.455 105 HG3 GLN 15 HG3 GLN 15 3.837 5.377 -7.522 106 HE21 GLN 15 HE21 GLN 15 1.693 6.701 -7.009 107 HE22 GLN 15 HE22 GLN 15 1.046 7.520 -8.443 108 H LEU 16 H LEU 16 4.736 2.606 -11.547 109 HA LEU 16 HA LEU 16 6.200 0.398 -10.582 110 HB2 LEU 16 HB2 LEU 16 5.317 1.231 -13.392 111 HB3 LEU 16 HB3 LEU 16 6.047 -0.319 -13.065 112 HG LEU 16 HG LEU 16 3.822 -0.760 -13.244 113 HD11 LEU 16 HD11 LEU 16 3.084 -1.637 -11.128 114 HD12 LEU 16 HD12 LEU 16 4.126 -0.513 -10.234 115 HD13 LEU 16 HD13 LEU 16 4.847 -1.803 -11.214 116 HD21 LEU 16 HD21 LEU 16 3.061 1.434 -11.299 117 HD22 LEU 16 HD22 LEU 16 1.978 0.314 -12.127 118 HD23 LEU 16 HD23 LEU 16 2.886 1.486 -13.071 119 H GLU 17 H GLU 17 7.343 3.033 -12.715 120 HA GLU 17 HA GLU 17 9.794 1.911 -13.567 121 HB2 GLU 17 HB2 GLU 17 8.943 4.768 -13.009 122 HB3 GLU 17 HB3 GLU 17 10.559 4.366 -13.608 123 HG2 GLU 17 HG2 GLU 17 9.589 3.200 -15.550 124 HG3 GLU 17 HG3 GLU 17 7.969 3.634 -15.017 125 H ASN 18 H ASN 18 8.995 2.861 -10.327 126 HA ASN 18 HA ASN 18 11.688 3.301 -9.346 127 HB2 ASN 18 HB2 ASN 18 9.026 2.640 -8.031 128 HB3 ASN 18 HB3 ASN 18 10.510 2.890 -7.113 129 HD21 ASN 18 HD21 ASN 18 7.940 4.452 -8.779 130 HD22 ASN 18 HD22 ASN 18 8.507 6.106 -8.512 131 H TYR 19 H TYR 19 10.004 0.356 -10.177 132 HA TYR 19 HA TYR 19 11.590 -1.276 -8.313 133 HB2 TYR 19 HB2 TYR 19 9.189 -1.720 -9.998 134 HB3 TYR 19 HB3 TYR 19 10.076 -3.103 -9.407 135 HD1 TYR 19 HD1 TYR 19 7.271 -1.159 -8.701 136 HD2 TYR 19 HD2 TYR 19 10.771 -2.754 -6.744 137 HE1 TYR 19 HE1 TYR 19 5.942 -1.584 -6.674 138 HE2 TYR 19 HE2 TYR 19 9.485 -2.970 -4.629 139 HH TYR 19 HH TYR 19 7.329 -3.099 -3.728 140 H CYS 20 H CYS 20 11.834 -0.595 -11.708 141 HA CYS 20 HA CYS 20 13.056 -3.140 -12.345 142 HB2 CYS 20 HB2 CYS 20 11.655 -1.657 -13.883 143 HB3 CYS 20 HB3 CYS 20 13.126 -0.700 -14.107 144 H LYS 21 H LYS 21 15.045 -3.754 -12.425 145 HA LYS 21 HA LYS 21 17.384 -1.984 -12.392 146 HB2 LYS 21 HB2 LYS 21 16.772 -2.174 -9.997 147 HB3 LYS 21 HB3 LYS 21 16.704 -3.929 -10.141 148 HG2 LYS 21 HG2 LYS 21 18.725 -3.290 -9.020 149 HG3 LYS 21 HG3 LYS 21 19.154 -3.997 -10.572 150 HD2 LYS 21 HD2 LYS 21 19.478 -1.720 -11.520 151 HD3 LYS 21 HD3 LYS 21 19.040 -0.999 -9.970 152 HE2 LYS 21 HE2 LYS 21 21.409 -2.867 -10.451 153 HE3 LYS 21 HE3 LYS 21 21.506 -1.106 -10.417 154 HZ1 LYS 21 HZ1 LYS 21 20.721 -1.188 -8.086 155 HZ2 LYS 21 HZ2 LYS 21 22.115 -2.016 -8.268 156 HZ3 LYS 21 HZ3 LYS 21 20.709 -2.825 -8.123 157 H1 PHE 1 H1 PHE 1 -3.635 4.789 -22.170 158 H2 PHE 1 H2 PHE 1 -4.058 6.316 -21.745 159 H3 PHE 1 H3 PHE 1 -5.184 5.136 -21.771 160 HA PHE 1 HA PHE 1 -4.143 3.978 -20.014 161 HB2 PHE 1 HB2 PHE 1 -2.050 6.139 -20.156 162 HB3 PHE 1 HB3 PHE 1 -2.312 5.178 -18.706 163 HD1 PHE 1 HD1 PHE 1 -0.726 5.232 -21.951 164 HD2 PHE 1 HD2 PHE 1 -2.174 2.614 -18.835 165 HE1 PHE 1 HE1 PHE 1 0.651 3.380 -22.859 166 HE2 PHE 1 HE2 PHE 1 -0.788 0.770 -19.751 167 HZ PHE 1 HZ PHE 1 0.624 1.147 -21.762 168 H VAL 2 H VAL 2 -4.524 4.258 -17.745 169 HA VAL 2 HA VAL 2 -5.752 6.760 -16.882 170 HB VAL 2 HB VAL 2 -7.595 5.469 -18.012 171 HG11 VAL 2 HG11 VAL 2 -7.456 3.667 -15.554 172 HG12 VAL 2 HG12 VAL 2 -8.670 3.637 -16.843 173 HG13 VAL 2 HG13 VAL 2 -7.002 3.183 -17.205 174 HG21 VAL 2 HG21 VAL 2 -8.021 7.264 -16.352 175 HG22 VAL 2 HG22 VAL 2 -9.264 5.999 -16.339 176 HG23 VAL 2 HG23 VAL 2 -8.049 6.035 -15.054 177 H ASN 3 H ASN 3 -5.884 7.024 -14.607 178 HA ASN 3 HA ASN 3 -3.914 5.449 -13.147 179 HB2 ASN 3 HB2 ASN 3 -5.754 7.701 -12.248 180 HB3 ASN 3 HB3 ASN 3 -4.449 7.011 -11.286 181 HD21 ASN 3 HD21 ASN 3 -4.565 9.743 -11.810 182 HD22 ASN 3 HD22 ASN 3 -3.205 10.143 -12.849 183 H GLN 4 H GLN 4 -4.344 3.585 -12.140 184 HA GLN 4 HA GLN 4 -6.885 3.185 -10.683 185 HB2 GLN 4 HB2 GLN 4 -7.309 1.061 -11.684 186 HB3 GLN 4 HB3 GLN 4 -7.267 2.291 -12.945 187 HG2 GLN 4 HG2 GLN 4 -5.319 1.454 -13.921 188 HG3 GLN 4 HG3 GLN 4 -4.747 0.687 -12.444 189 HE21 GLN 4 HE21 GLN 4 -5.947 -1.294 -11.635 190 HE22 GLN 4 HE22 GLN 4 -6.781 -2.263 -12.844 191 H HIS 5 H HIS 5 -6.751 1.530 -9.048 192 HA HIS 5 HA HIS 5 -4.147 1.097 -7.881 193 HB2 HIS 5 HB2 HIS 5 -5.361 -0.519 -6.409 194 HB3 HIS 5 HB3 HIS 5 -6.008 1.115 -6.429 195 HD1 HIS 5 HD1 HIS 5 -8.560 1.358 -7.107 196 HD2 HIS 5 HD2 HIS 5 -6.857 -2.422 -7.830 197 HE1 HIS 5 HE1 HIS 5 -10.473 -0.158 -7.825 198 H LEU 6 H LEU 6 -2.887 -0.714 -7.764 199 HA LEU 6 HA LEU 6 -3.437 -3.100 -9.451 200 HB2 LEU 6 HB2 LEU 6 -0.823 -1.579 -9.493 201 HB3 LEU 6 HB3 LEU 6 -1.133 -3.102 -10.291 202 HG LEU 6 HG LEU 6 -2.587 -0.533 -11.010 203 HD11 LEU 6 HD11 LEU 6 -1.002 -0.421 -12.919 204 HD12 LEU 6 HD12 LEU 6 -0.065 -1.724 -12.141 205 HD13 LEU 6 HD13 LEU 6 -0.253 -0.155 -11.337 206 HD21 LEU 6 HD21 LEU 6 -2.170 -3.086 -12.608 207 HD22 LEU 6 HD22 LEU 6 -3.097 -1.653 -13.101 208 HD23 LEU 6 HD23 LEU 6 -3.684 -2.658 -11.770 209 H CYS 7 H CYS 7 -3.390 -4.715 -7.972 210 HA CYS 7 HA CYS 7 -1.313 -4.676 -5.804 211 HB2 CYS 7 HB2 CYS 7 -3.749 -4.062 -5.183 212 HB3 CYS 7 HB3 CYS 7 -4.114 -5.770 -5.461 213 H GLY 8 H GLY 8 -0.315 -6.662 -5.386 214 HA2 GLY 8 HA2 GLY 8 0.474 -8.790 -5.817 215 HA3 GLY 8 HA3 GLY 8 -1.181 -9.235 -6.235 216 H SER 9 H SER 9 -1.048 -10.319 -8.145 217 HA SER 9 HA SER 9 0.916 -10.141 -10.113 218 HB2 SER 9 HB2 SER 9 -1.997 -10.964 -10.433 219 HB3 SER 9 HB3 SER 9 -0.673 -11.343 -11.553 220 HG SER 9 HG SER 9 -1.064 -13.056 -10.063 221 H HIS 10 H HIS 10 -1.918 -8.026 -9.795 222 HA HIS 10 HA HIS 10 -1.923 -6.913 -12.436 223 HB2 HIS 10 HB2 HIS 10 -2.716 -5.794 -9.722 224 HB3 HIS 10 HB3 HIS 10 -2.909 -4.906 -11.222 225 HD1 HIS 10 HD1 HIS 10 -4.649 -5.958 -13.066 226 HD2 HIS 10 HD2 HIS 10 -4.690 -7.480 -9.143 227 HE1 HIS 10 HE1 HIS 10 -6.895 -7.105 -12.778 228 H LEU 11 H LEU 11 0.061 -6.114 -9.562 229 HA LEU 11 HA LEU 11 1.283 -3.762 -10.773 230 HB2 LEU 11 HB2 LEU 11 1.203 -4.033 -8.350 231 HB3 LEU 11 HB3 LEU 11 2.067 -5.554 -8.441 232 HG LEU 11 HG LEU 11 3.779 -3.658 -9.748 233 HD11 LEU 11 HD11 LEU 11 2.466 -1.879 -8.719 234 HD12 LEU 11 HD12 LEU 11 4.108 -1.955 -8.070 235 HD13 LEU 11 HD13 LEU 11 2.747 -2.576 -7.111 236 HD21 LEU 11 HD21 LEU 11 4.520 -5.593 -8.479 237 HD22 LEU 11 HD22 LEU 11 3.933 -4.852 -6.964 238 HD23 LEU 11 HD23 LEU 11 5.272 -4.105 -7.872 239 H VAL 12 H VAL 12 2.220 -7.231 -10.427 240 HA VAL 12 HA VAL 12 4.714 -7.025 -11.780 241 HB VAL 12 HB VAL 12 3.028 -9.527 -11.846 242 HG11 VAL 12 HG11 VAL 12 6.040 -9.015 -11.764 243 HG12 VAL 12 HG12 VAL 12 5.266 -10.616 -11.748 244 HG13 VAL 12 HG13 VAL 12 5.114 -9.586 -13.172 245 HG21 VAL 12 HG21 VAL 12 4.145 -10.162 -9.713 246 HG22 VAL 12 HG22 VAL 12 4.744 -8.493 -9.561 247 HG23 VAL 12 HG23 VAL 12 3.005 -8.836 -9.515 248 H GLU 13 H GLU 13 1.493 -7.672 -13.151 249 HA GLU 13 HA GLU 13 2.323 -7.925 -15.879 250 HB2 GLU 13 HB2 GLU 13 0.143 -8.613 -15.032 251 HB3 GLU 13 HB3 GLU 13 -0.278 -6.933 -14.653 252 HG2 GLU 13 HG2 GLU 13 -0.224 -6.340 -17.024 253 HG3 GLU 13 HG3 GLU 13 0.354 -7.955 -17.450 254 H ALA 14 H ALA 14 1.745 -5.031 -13.859 255 HA ALA 14 HA ALA 14 1.973 -3.183 -16.106 256 HB1 ALA 14 HB1 ALA 14 1.863 -1.471 -14.386 257 HB2 ALA 14 HB2 ALA 14 0.614 -2.702 -14.129 258 HB3 ALA 14 HB3 ALA 14 2.066 -2.693 -13.107 259 H LEU 15 H LEU 15 4.249 -4.335 -13.532 260 HA LEU 15 HA LEU 15 6.541 -2.820 -14.333 261 HB2 LEU 15 HB2 LEU 15 6.322 -5.675 -13.244 262 HB3 LEU 15 HB3 LEU 15 7.833 -4.802 -13.414 263 HG LEU 15 HG LEU 15 5.553 -3.861 -11.666 264 HD11 LEU 15 HD11 LEU 15 8.078 -5.374 -10.915 265 HD12 LEU 15 HD12 LEU 15 6.417 -5.975 -10.791 266 HD13 LEU 15 HD13 LEU 15 6.944 -4.630 -9.765 267 HD21 LEU 15 HD21 LEU 15 8.499 -3.071 -11.746 268 HD22 LEU 15 HD22 LEU 15 7.224 -2.398 -10.688 269 HD23 LEU 15 HD23 LEU 15 7.181 -2.099 -12.421 270 H TYR 16 H TYR 16 5.405 -5.983 -15.429 271 HA TYR 16 HA TYR 16 7.287 -6.522 -17.418 272 HB2 TYR 16 HB2 TYR 16 5.925 -8.247 -16.637 273 HB3 TYR 16 HB3 TYR 16 4.452 -7.346 -16.933 274 HD1 TYR 16 HD1 TYR 16 6.808 -9.683 -18.352 275 HD2 TYR 16 HD2 TYR 16 3.535 -7.011 -19.218 276 HE1 TYR 16 HE1 TYR 16 6.451 -10.835 -20.535 277 HE2 TYR 16 HE2 TYR 16 3.177 -8.160 -21.403 278 HH TYR 16 HH TYR 16 5.214 -10.915 -22.470 279 H LEU 17 H LEU 17 4.518 -4.412 -17.678 280 HA LEU 17 HA LEU 17 4.769 -4.038 -20.582 281 HB2 LEU 17 HB2 LEU 17 2.622 -4.140 -19.559 282 HB3 LEU 17 HB3 LEU 17 2.996 -2.895 -18.388 283 HG LEU 17 HG LEU 17 3.108 -2.163 -21.326 284 HD11 LEU 17 HD11 LEU 17 0.981 -3.365 -21.076 285 HD12 LEU 17 HD12 LEU 17 0.704 -1.632 -21.284 286 HD13 LEU 17 HD13 LEU 17 0.558 -2.372 -19.668 287 HD21 LEU 17 HD21 LEU 17 2.252 0.001 -20.459 288 HD22 LEU 17 HD22 LEU 17 3.736 -0.433 -19.618 289 HD23 LEU 17 HD23 LEU 17 2.173 -0.668 -18.817 290 H VAL 18 H VAL 18 5.494 -2.242 -17.606 291 HA VAL 18 HA VAL 18 6.286 0.224 -18.857 292 HB VAL 18 HB VAL 18 6.503 -0.996 -16.084 293 HG11 VAL 18 HG11 VAL 18 7.550 1.748 -16.877 294 HG12 VAL 18 HG12 VAL 18 7.227 1.193 -15.213 295 HG13 VAL 18 HG13 VAL 18 8.482 0.398 -16.161 296 HG21 VAL 18 HG21 VAL 18 4.883 0.791 -15.565 297 HG22 VAL 18 HG22 VAL 18 5.056 1.450 -17.204 298 HG23 VAL 18 HG23 VAL 18 4.308 -0.136 -16.948 299 H CYS 19 H CYS 19 8.264 -2.447 -17.383 300 HA CYS 19 HA CYS 19 10.689 -1.154 -18.521 301 HB2 CYS 19 HB2 CYS 19 10.372 -2.077 -16.090 302 HB3 CYS 19 HB3 CYS 19 10.742 -3.639 -16.839 303 H GLY 20 H GLY 20 8.494 -3.699 -19.425 304 HA2 GLY 20 HA2 GLY 20 8.516 -4.972 -21.368 305 HA3 GLY 20 HA3 GLY 20 10.046 -4.230 -21.828 306 H GLU 21 H GLU 21 9.070 -6.222 -19.063 307 HA GLU 21 HA GLU 21 10.073 -7.876 -17.896 308 HB2 GLU 21 HB2 GLU 21 10.186 -9.980 -18.966 309 HB3 GLU 21 HB3 GLU 21 8.787 -9.075 -19.526 310 HG2 GLU 21 HG2 GLU 21 9.794 -8.629 -21.669 311 HG3 GLU 21 HG3 GLU 21 11.354 -9.267 -21.135 312 H ARG 22 H ARG 22 12.079 -5.851 -18.833 313 HA ARG 22 HA ARG 22 14.576 -7.187 -19.259 314 HB2 ARG 22 HB2 ARG 22 13.859 -4.384 -18.327 315 HB3 ARG 22 HB3 ARG 22 15.527 -4.914 -18.545 316 HG2 ARG 22 HG2 ARG 22 15.143 -5.433 -20.897 317 HG3 ARG 22 HG3 ARG 22 13.429 -4.991 -20.752 318 HD2 ARG 22 HD2 ARG 22 14.089 -2.665 -20.151 319 HD3 ARG 22 HD3 ARG 22 15.781 -3.121 -20.239 320 HE ARG 22 HE ARG 22 15.736 -3.069 -22.545 321 HH11 ARG 22 HH11 ARG 22 14.945 -2.465 -24.523 322 HH12 ARG 22 HH12 ARG 22 13.252 -2.112 -24.723 323 HH21 ARG 22 HH21 ARG 22 12.408 -2.816 -21.459 324 HH22 ARG 22 HH22 ARG 22 11.851 -2.285 -23.032 325 H GLY 23 H GLY 23 12.883 -6.758 -16.246 326 HA2 GLY 23 HA2 GLY 23 14.682 -8.417 -14.797 327 HA3 GLY 23 HA3 GLY 23 15.154 -6.747 -14.487 328 H PHE 24 H PHE 24 14.011 -5.556 -13.136 329 HA PHE 24 HA PHE 24 12.998 -5.043 -11.303 330 HB2 PHE 24 HB2 PHE 24 10.474 -5.208 -11.172 331 HB3 PHE 24 HB3 PHE 24 11.242 -4.240 -12.400 332 HD1 PHE 24 HD1 PHE 24 9.515 -7.495 -11.833 333 HD2 PHE 24 HD2 PHE 24 10.833 -4.566 -14.705 334 HE1 PHE 24 HE1 PHE 24 8.275 -8.694 -13.617 335 HE2 PHE 24 HE2 PHE 24 9.609 -5.782 -16.494 336 HZ PHE 24 HZ PHE 24 8.345 -7.865 -15.946 337 H PHE 25 H PHE 25 12.213 -5.230 -9.296 338 HA PHE 25 HA PHE 25 11.460 -7.895 -8.383 339 HB2 PHE 25 HB2 PHE 25 13.681 -8.235 -7.902 340 HB3 PHE 25 HB3 PHE 25 13.915 -6.595 -7.301 341 HD1 PHE 25 HD1 PHE 25 13.539 -6.027 -4.993 342 HD2 PHE 25 HD2 PHE 25 12.279 -9.863 -6.517 343 HE1 PHE 25 HE1 PHE 25 13.067 -6.790 -2.683 344 HE2 PHE 25 HE2 PHE 25 11.788 -10.617 -4.201 345 HZ PHE 25 HZ PHE 25 12.180 -9.088 -2.280 346 H TYR 26 H TYR 26 9.562 -7.742 -7.568 347 HA TYR 26 HA TYR 26 8.605 -5.237 -6.540 348 HB2 TYR 26 HB2 TYR 26 6.391 -6.498 -6.366 349 HB3 TYR 26 HB3 TYR 26 7.081 -6.033 -7.899 350 HD1 TYR 26 HD1 TYR 26 8.005 -7.669 -9.489 351 HD2 TYR 26 HD2 TYR 26 6.240 -8.893 -5.749 352 HE1 TYR 26 HE1 TYR 26 7.888 -10.017 -10.317 353 HE2 TYR 26 HE2 TYR 26 6.085 -11.233 -6.586 354 HH TYR 26 HH TYR 26 6.497 -12.660 -8.337 355 H THR 27 H THR 27 10.147 -5.125 -4.749 356 HA THR 27 HA THR 27 10.022 -6.462 -2.415 357 HB THR 27 HB THR 27 10.078 -3.491 -2.215 358 HG1 THR 27 HG1 THR 27 12.207 -3.569 -2.914 359 HG21 THR 27 HG21 THR 27 10.397 -4.806 -0.151 360 HG22 THR 27 HG22 THR 27 11.900 -3.996 -0.617 361 HG23 THR 27 HG23 THR 27 11.701 -5.734 -0.927 362 HA PRO 28 HA PRO 28 5.761 -6.372 -1.306 363 HB2 PRO 28 HB2 PRO 28 6.758 -7.282 1.399 364 HB3 PRO 28 HB3 PRO 28 5.404 -7.925 0.418 365 HG2 PRO 28 HG2 PRO 28 7.761 -9.210 0.413 366 HG3 PRO 28 HG3 PRO 28 6.908 -8.928 -1.142 367 HD2 PRO 28 HD2 PRO 28 9.209 -7.356 0.042 368 HD3 PRO 28 HD3 PRO 28 8.969 -7.965 -1.621 369 H LYS 29 H LYS 29 4.180 -5.689 0.276 370 HA LYS 29 HA LYS 29 4.493 -2.991 1.343 371 HB2 LYS 29 HB2 LYS 29 2.193 -3.267 2.090 372 HB3 LYS 29 HB3 LYS 29 2.357 -3.756 0.410 373 HG2 LYS 29 HG2 LYS 29 2.217 -6.120 1.020 374 HG3 LYS 29 HG3 LYS 29 2.352 -5.744 2.735 375 HD2 LYS 29 HD2 LYS 29 0.047 -6.259 2.257 376 HD3 LYS 29 HD3 LYS 29 0.199 -4.562 2.701 377 HE2 LYS 29 HE2 LYS 29 -1.348 -4.676 0.911 378 HE3 LYS 29 HE3 LYS 29 0.113 -3.939 0.269 379 HZ1 LYS 29 HZ1 LYS 29 0.685 -6.109 -0.709 380 HZ2 LYS 29 HZ2 LYS 29 -0.802 -5.658 -1.217 381 HZ3 LYS 29 HZ3 LYS 29 -0.658 -6.800 -0.064 382 H THR 30 H THR 30 3.759 -2.554 3.674 383 HA THR 30 HA THR 30 5.577 -3.547 5.506 384 HB THR 30 HB THR 30 2.974 -2.478 6.512 385 HG1 THR 30 HG1 THR 30 3.668 -0.421 5.981 386 HG21 THR 30 HG21 THR 30 4.475 -1.216 8.015 387 HG22 THR 30 HG22 THR 30 5.896 -1.946 7.234 388 HG23 THR 30 HG23 THR 30 4.752 -2.954 8.153 389 H LYS 31 H LYS 31 5.768 -5.073 7.023 390 HA LYS 31 HA LYS 31 4.211 -7.481 6.715 391 HB2 LYS 31 HB2 LYS 31 6.343 -6.746 8.758 392 HB3 LYS 31 HB3 LYS 31 5.634 -8.351 8.556 393 HG2 LYS 31 HG2 LYS 31 6.399 -8.326 6.139 394 HG3 LYS 31 HG3 LYS 31 7.288 -6.836 6.492 395 HD2 LYS 31 HD2 LYS 31 7.702 -9.549 7.825 396 HD3 LYS 31 HD3 LYS 31 8.735 -8.836 6.571 397 HE2 LYS 31 HE2 LYS 31 9.284 -6.948 8.090 398 HE3 LYS 31 HE3 LYS 31 8.275 -7.671 9.350 399 HZ1 LYS 31 HZ1 LYS 31 10.617 -8.248 9.641 400 HZ2 LYS 31 HZ2 LYS 31 10.690 -8.931 8.162 401 HZ3 LYS 31 HZ3 LYS 31 9.762 -9.602 9.330 402 H ARG 32 H ARG 32 3.061 -8.665 8.236 403 HA ARG 32 HA ARG 32 1.997 -7.440 10.679 404 HB2 ARG 32 HB2 ARG 32 0.441 -6.546 9.039 405 HB3 ARG 32 HB3 ARG 32 0.237 -8.129 8.285 406 HG2 ARG 32 HG2 ARG 32 -1.705 -7.550 9.639 407 HG3 ARG 32 HG3 ARG 32 -0.909 -8.982 10.275 408 HD2 ARG 32 HD2 ARG 32 0.250 -7.438 11.980 409 HD3 ARG 32 HD3 ARG 32 -0.785 -6.145 11.383 410 HE ARG 32 HE ARG 32 -2.611 -7.095 12.474 411 HH11 ARG 32 HH11 ARG 32 -3.542 -8.359 14.029 412 HH12 ARG 32 HH12 ARG 32 -2.731 -9.781 14.615 413 HH21 ARG 32 HH21 ARG 32 0.031 -9.450 12.595 414 HH22 ARG 32 HH22 ARG 32 -0.766 -10.358 13.858
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