NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
637416 | 6d8u | 30464 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H1 ALA 1 11.081 29.997 17.961 2 H2 ALA 1 H2 ALA 1 11.517 31.026 19.164 3 H3 ALA 1 H3 ALA 1 11.624 29.395 19.401 4 HA ALA 1 HA ALA 1 13.191 30.915 17.442 5 HB1 ALA 1 HB1 ALA 1 15.116 30.570 18.901 6 HB2 ALA 1 HB2 ALA 1 13.865 31.494 19.747 7 HB3 ALA 1 HB3 ALA 1 14.097 29.767 20.113 8 H PHE 2 H PHE 2 14.863 29.679 16.390 9 HA PHE 2 HA PHE 2 14.259 26.839 15.943 10 HB2 PHE 2 HB2 PHE 2 16.185 28.861 14.761 11 HB3 PHE 2 HB3 PHE 2 16.294 27.145 14.402 12 HD1 PHE 2 HD1 PHE 2 14.049 30.124 14.101 13 HD2 PHE 2 HD2 PHE 2 14.787 26.035 12.939 14 HE1 PHE 2 HE1 PHE 2 12.318 30.306 12.350 15 HE2 PHE 2 HE2 PHE 2 13.080 26.231 11.163 16 HZ PHE 2 HZ PHE 2 11.828 28.367 10.859 17 H CYS 3 H CYS 3 16.073 25.343 15.979 18 HA CYS 3 HA CYS 3 17.570 25.289 18.434 19 HB2 CYS 3 HB2 CYS 3 18.490 23.206 17.483 20 HB3 CYS 3 HB3 CYS 3 16.737 23.250 17.553 21 H ASN 4 H ASN 4 19.544 25.748 18.798 22 HA ASN 4 HA ASN 4 20.948 27.643 17.111 23 HB2 ASN 4 HB2 ASN 4 21.666 26.483 19.839 24 HB3 ASN 4 HB3 ASN 4 22.448 27.865 19.077 25 HD21 ASN 4 HD21 ASN 4 19.736 30.114 19.669 26 HD22 ASN 4 HD22 ASN 4 21.155 29.801 18.662 27 H LEU 5 H LEU 5 21.104 25.577 15.465 28 HA LEU 5 HA LEU 5 22.999 23.572 15.833 29 HB2 LEU 5 HB2 LEU 5 21.351 23.529 14.083 30 HB3 LEU 5 HB3 LEU 5 22.061 24.943 13.305 31 HG LEU 5 HG LEU 5 24.095 23.686 12.762 32 HD11 LEU 5 HD11 LEU 5 24.217 22.040 14.572 33 HD12 LEU 5 HD12 LEU 5 22.664 21.334 14.067 34 HD13 LEU 5 HD13 LEU 5 24.101 21.193 13.030 35 HD21 LEU 5 HD21 LEU 5 21.546 22.231 11.947 36 HD22 LEU 5 HD22 LEU 5 22.200 23.699 11.189 37 HD23 LEU 5 HD23 LEU 5 23.105 22.182 11.092 38 H ARG 6 H ARG 6 23.579 26.846 14.505 39 HA ARG 6 HA ARG 6 26.317 26.508 13.874 40 HB2 ARG 6 HB2 ARG 6 26.420 28.863 13.651 41 HB3 ARG 6 HB3 ARG 6 24.853 28.325 13.061 42 HG2 ARG 6 HG2 ARG 6 23.829 29.066 15.234 43 HG3 ARG 6 HG3 ARG 6 25.418 29.642 15.766 44 HD2 ARG 6 HD2 ARG 6 24.137 31.519 14.969 45 HD3 ARG 6 HD3 ARG 6 25.475 31.248 13.867 46 HE ARG 6 HE ARG 6 22.591 30.580 13.436 47 HH11 ARG 6 HH11 ARG 6 25.755 30.976 11.929 48 HH12 ARG 6 HH12 ARG 6 25.122 30.711 10.331 49 HH21 ARG 6 HH21 ARG 6 21.829 30.423 11.390 50 HH22 ARG 6 HH22 ARG 6 22.959 30.208 10.068 51 H ARG 7 H ARG 7 25.022 26.700 17.020 52 HA ARG 7 HA ARG 7 27.763 27.107 18.193 53 HB2 ARG 7 HB2 ARG 7 25.041 27.431 19.529 54 HB3 ARG 7 HB3 ARG 7 26.617 27.558 20.316 55 HG2 ARG 7 HG2 ARG 7 27.116 29.355 18.441 56 HG3 ARG 7 HG3 ARG 7 25.361 29.410 18.261 57 HD2 ARG 7 HD2 ARG 7 26.920 29.913 20.829 58 HD3 ARG 7 HD3 ARG 7 26.323 31.166 19.758 59 HE ARG 7 HE ARG 7 24.696 29.375 21.521 60 HH11 ARG 7 HH11 ARG 7 24.501 32.100 19.287 61 HH12 ARG 7 HH12 ARG 7 23.330 32.910 20.315 62 HH21 ARG 7 HH21 ARG 7 22.990 30.459 22.585 63 HH22 ARG 7 HH22 ARG 7 22.483 32.012 21.921 64 H CYS 8 H CYS 8 24.967 24.979 18.107 65 HA CYS 8 HA CYS 8 25.784 22.879 19.821 66 HB2 CYS 8 HB2 CYS 8 23.608 23.018 18.677 67 HB3 CYS 8 HB3 CYS 8 24.424 22.858 17.120 68 H GLU 9 H GLU 9 26.891 23.567 16.377 69 HA GLU 9 HA GLU 9 28.501 21.369 15.961 70 HB2 GLU 9 HB2 GLU 9 27.504 22.961 14.445 71 HB3 GLU 9 HB3 GLU 9 28.272 24.324 15.215 72 HG2 GLU 9 HG2 GLU 9 29.204 23.775 13.115 73 HG3 GLU 9 HG3 GLU 9 30.352 23.796 14.471 74 H LEU 10 H LEU 10 29.343 24.623 17.182 75 HA LEU 10 HA LEU 10 32.142 24.161 17.555 76 HB2 LEU 10 HB2 LEU 10 30.364 26.074 19.120 77 HB3 LEU 10 HB3 LEU 10 32.107 26.191 18.910 78 HG LEU 10 HG LEU 10 30.013 26.505 16.729 79 HD11 LEU 10 HD11 LEU 10 31.831 28.550 18.073 80 HD12 LEU 10 HD12 LEU 10 30.702 28.875 16.744 81 HD13 LEU 10 HD13 LEU 10 30.080 28.386 18.327 82 HD21 LEU 10 HD21 LEU 10 31.909 27.316 15.325 83 HD22 LEU 10 HD22 LEU 10 33.044 26.841 16.604 84 HD23 LEU 10 HD23 LEU 10 32.077 25.610 15.752 85 H SER 11 H SER 11 29.397 23.474 19.595 86 HA SER 11 HA SER 11 30.883 22.794 22.019 87 HB2 SER 11 HB2 SER 11 28.559 23.418 22.176 88 HB3 SER 11 HB3 SER 11 28.088 22.119 21.072 89 HG SER 11 HG SER 11 27.751 21.216 22.928 90 H CYS 12 H CYS 12 29.522 20.818 19.338 91 HA CYS 12 HA CYS 12 30.546 18.311 20.382 92 HB2 CYS 12 HB2 CYS 12 29.606 19.105 17.609 93 HB3 CYS 12 HB3 CYS 12 29.976 17.461 18.133 94 H ARG 13 H ARG 13 31.797 20.759 18.118 95 HA ARG 13 HA ARG 13 34.128 19.494 17.166 96 HB2 ARG 13 HB2 ARG 13 33.114 21.710 16.534 97 HB3 ARG 13 HB3 ARG 13 33.907 22.407 17.952 98 HG2 ARG 13 HG2 ARG 13 36.107 21.745 17.096 99 HG3 ARG 13 HG3 ARG 13 35.372 20.877 15.743 100 HD2 ARG 13 HD2 ARG 13 35.100 23.851 16.273 101 HD3 ARG 13 HD3 ARG 13 36.237 23.117 15.122 102 HE ARG 13 HE ARG 13 33.731 22.120 14.404 103 HH11 ARG 13 HH11 ARG 13 35.138 25.385 14.528 104 HH12 ARG 13 HH12 ARG 13 33.996 25.944 13.323 105 HH21 ARG 13 HH21 ARG 13 32.322 23.005 12.966 106 HH22 ARG 13 HH22 ARG 13 32.611 24.611 12.330 107 H SER 14 H SER 14 33.501 20.901 20.388 108 HA SER 14 HA SER 14 36.259 20.743 21.214 109 HB2 SER 14 HB2 SER 14 33.907 20.447 23.092 110 HB3 SER 14 HB3 SER 14 35.496 21.143 23.436 111 HG SER 14 HG SER 14 34.917 23.014 22.451 112 H LEU 15 H LEU 15 33.817 18.322 20.926 113 HA LEU 15 HA LEU 15 35.356 16.268 22.414 114 HB2 LEU 15 HB2 LEU 15 32.652 16.172 21.025 115 HB3 LEU 15 HB3 LEU 15 33.348 14.875 21.981 116 HG LEU 15 HG LEU 15 32.530 17.619 23.040 117 HD11 LEU 15 HD11 LEU 15 31.244 14.889 23.368 118 HD12 LEU 15 HD12 LEU 15 30.696 16.403 24.117 119 HD13 LEU 15 HD13 LEU 15 30.623 16.214 22.360 120 HD21 LEU 15 HD21 LEU 15 32.823 16.597 25.280 121 HD22 LEU 15 HD22 LEU 15 33.485 15.133 24.521 122 HD23 LEU 15 HD23 LEU 15 34.354 16.680 24.401 123 H GLY 16 H GLY 16 35.519 17.663 19.454 124 HA2 GLY 16 HA2 GLY 16 36.753 17.119 17.592 125 HA3 GLY 16 HA3 GLY 16 36.880 15.442 18.118 126 H LEU 17 H LEU 17 33.668 16.835 18.018 127 HA LEU 17 HA LEU 17 33.062 15.071 15.651 128 HB2 LEU 17 HB2 LEU 17 30.881 15.681 17.568 129 HB3 LEU 17 HB3 LEU 17 31.150 14.257 16.589 130 HG LEU 17 HG LEU 17 32.593 15.023 19.087 131 HD11 LEU 17 HD11 LEU 17 31.370 13.121 20.164 132 HD12 LEU 17 HD12 LEU 17 30.393 14.515 19.731 133 HD13 LEU 17 HD13 LEU 17 30.349 13.044 18.711 134 HD21 LEU 17 HD21 LEU 17 33.443 12.666 19.128 135 HD22 LEU 17 HD22 LEU 17 32.594 12.345 17.602 136 HD23 LEU 17 HD23 LEU 17 33.958 13.477 17.654 137 H LEU 18 H LEU 18 30.870 15.511 14.833 138 HA LEU 18 HA LEU 18 30.518 18.380 14.037 139 HB2 LEU 18 HB2 LEU 18 29.779 15.723 12.832 140 HB3 LEU 18 HB3 LEU 18 28.609 17.019 12.657 141 HG LEU 18 HG LEU 18 30.028 16.776 10.734 142 HD11 LEU 18 HD11 LEU 18 30.565 19.421 12.072 143 HD12 LEU 18 HD12 LEU 18 30.524 19.085 10.333 144 HD13 LEU 18 HD13 LEU 18 29.035 18.969 11.290 145 HD21 LEU 18 HD21 LEU 18 32.376 17.450 10.724 146 HD22 LEU 18 HD22 LEU 18 32.327 17.765 12.473 147 HD23 LEU 18 HD23 LEU 18 32.144 16.113 11.866 148 H GLY 19 H GLY 19 28.512 19.313 14.288 149 HA2 GLY 19 HA2 GLY 19 26.709 18.129 16.398 150 HA3 GLY 19 HA3 GLY 19 26.852 19.845 16.075 151 H GLU 20 H GLU 20 24.490 18.118 16.084 152 HA GLU 20 HA GLU 20 23.342 18.867 13.468 153 HB2 GLU 20 HB2 GLU 20 24.082 16.586 13.131 154 HB3 GLU 20 HB3 GLU 20 23.430 16.093 14.679 155 HG2 GLU 20 HG2 GLU 20 22.061 15.214 12.965 156 HG3 GLU 20 HG3 GLU 20 21.122 16.411 13.857 157 H CYS 21 H CYS 21 21.125 19.256 13.555 158 HA CYS 21 HA CYS 21 19.924 19.413 16.289 159 HB2 CYS 21 HB2 CYS 21 19.988 21.557 15.275 160 HB3 CYS 21 HB3 CYS 21 19.331 20.939 13.753 161 H ILE 22 H ILE 22 18.199 18.245 16.793 162 HA ILE 22 HA ILE 22 16.608 16.929 14.640 163 HB ILE 22 HB ILE 22 17.355 15.670 17.296 164 HG12 ILE 22 HG12 ILE 22 19.165 15.500 15.633 165 HG13 ILE 22 HG13 ILE 22 18.467 13.946 16.047 166 HG21 ILE 22 HG21 ILE 22 16.058 13.699 16.428 167 HG22 ILE 22 HG22 ILE 22 15.051 15.094 16.776 168 HG23 ILE 22 HG23 ILE 22 15.453 14.709 15.090 169 HD11 ILE 22 HD11 ILE 22 17.347 13.836 13.904 170 HD12 ILE 22 HD12 ILE 22 17.822 15.488 13.461 171 HD13 ILE 22 HD13 ILE 22 19.038 14.187 13.630 172 H GLY 23 H GLY 23 14.836 17.947 14.536 173 HA2 GLY 23 HA2 GLY 23 12.815 18.920 15.054 174 HA3 GLY 23 HA3 GLY 23 12.961 18.282 16.701 175 H GLU 24 H GLU 24 13.602 19.611 18.313 176 HA GLU 24 HA GLU 24 14.331 22.455 17.696 177 HB2 GLU 24 HB2 GLU 24 12.838 21.401 20.112 178 HB3 GLU 24 HB3 GLU 24 13.123 23.078 19.712 179 HG2 GLU 24 HG2 GLU 24 11.284 21.138 18.292 180 HG3 GLU 24 HG3 GLU 24 10.821 22.511 19.283 181 H GLU 25 H GLU 25 15.874 19.738 18.586 182 HA GLU 25 HA GLU 25 17.471 20.974 20.778 183 HB2 GLU 25 HB2 GLU 25 16.649 18.060 20.549 184 HB3 GLU 25 HB3 GLU 25 17.554 18.790 21.868 185 HG2 GLU 25 HG2 GLU 25 14.626 19.220 21.181 186 HG3 GLU 25 HG3 GLU 25 15.282 18.362 22.564 187 H CYS 26 H CYS 26 19.585 20.010 21.155 188 HA CYS 26 HA CYS 26 21.033 19.554 18.591 189 HB2 CYS 26 HB2 CYS 26 21.679 21.518 19.814 190 HB3 CYS 26 HB3 CYS 26 21.742 20.628 21.323 191 H LYS 27 H LYS 27 22.324 17.836 18.199 192 HA LYS 27 HA LYS 27 23.331 16.112 20.394 193 HB2 LYS 27 HB2 LYS 27 22.894 14.084 19.137 194 HB3 LYS 27 HB3 LYS 27 21.387 14.897 19.551 195 HG2 LYS 27 HG2 LYS 27 21.050 15.688 17.325 196 HG3 LYS 27 HG3 LYS 27 22.702 15.327 16.827 197 HD2 LYS 27 HD2 LYS 27 20.677 13.213 17.610 198 HD3 LYS 27 HD3 LYS 27 21.013 13.758 15.952 199 HE2 LYS 27 HE2 LYS 27 23.486 13.203 16.437 200 HE3 LYS 27 HE3 LYS 27 22.907 12.308 17.849 201 HZ1 LYS 27 HZ1 LYS 27 21.972 11.785 15.072 202 HZ2 LYS 27 HZ2 LYS 27 23.193 10.946 15.781 203 HZ3 LYS 27 HZ3 LYS 27 21.659 10.861 16.357 204 H CYS 28 H CYS 28 25.212 14.744 19.631 205 HA CYS 28 HA CYS 28 26.730 16.101 17.439 206 HB2 CYS 28 HB2 CYS 28 27.787 14.242 19.570 207 HB3 CYS 28 HB3 CYS 28 28.721 15.169 18.394 208 H VAL 29 H VAL 29 27.902 14.814 15.914 209 HA VAL 29 HA VAL 29 26.804 12.100 15.404 210 HB VAL 29 HB VAL 29 26.540 12.731 12.976 211 HG11 VAL 29 HG11 VAL 29 24.624 12.414 14.455 212 HG12 VAL 29 HG12 VAL 29 24.681 14.137 14.914 213 HG13 VAL 29 HG13 VAL 29 24.326 13.662 13.235 214 HG21 VAL 29 HG21 VAL 29 26.672 15.581 14.053 215 HG22 VAL 29 HG22 VAL 29 27.746 14.809 12.857 216 HG23 VAL 29 HG23 VAL 29 26.054 15.114 12.469 217 HA PRO 30 HA PRO 30 30.926 11.031 14.314 218 HB2 PRO 30 HB2 PRO 30 30.544 8.724 12.905 219 HB3 PRO 30 HB3 PRO 30 30.206 8.856 14.661 220 HG2 PRO 30 HG2 PRO 30 28.255 9.089 12.343 221 HG3 PRO 30 HG3 PRO 30 28.095 8.090 13.827 222 HD2 PRO 30 HD2 PRO 30 26.925 10.528 13.618 223 HD3 PRO 30 HD3 PRO 30 27.642 9.981 15.159 224 H TYR 31 H TYR 31 28.895 12.230 11.960 225 HA TYR 31 HA TYR 31 29.803 11.518 9.470 226 HB2 TYR 31 HB2 TYR 31 28.933 14.280 10.380 227 HB3 TYR 31 HB3 TYR 31 28.905 13.699 8.731 228 HD1 TYR 31 HD1 TYR 31 26.582 14.942 10.002 229 HD2 TYR 31 HD2 TYR 31 27.753 10.781 9.907 230 HE1 TYR 31 HE1 TYR 31 24.222 14.266 10.299 231 HE2 TYR 31 HE2 TYR 31 25.378 10.121 10.232 232 HH TYR 31 HH TYR 31 22.744 12.526 10.310 Start of MODEL 2 1 H1 ALA 1 H1 ALA 1 10.754 24.895 16.204 2 H2 ALA 1 H2 ALA 1 10.585 24.433 14.632 3 H3 ALA 1 H3 ALA 1 10.997 25.987 14.987 4 HA ALA 1 HA ALA 1 12.640 23.718 15.802 5 HB1 ALA 1 HB1 ALA 1 12.828 25.182 13.137 6 HB2 ALA 1 HB2 ALA 1 14.048 24.061 13.782 7 HB3 ALA 1 HB3 ALA 1 12.432 23.469 13.400 8 H PHE 2 H PHE 2 12.956 25.115 17.790 9 HA PHE 2 HA PHE 2 14.262 27.743 17.407 10 HB2 PHE 2 HB2 PHE 2 13.126 28.237 19.151 11 HB3 PHE 2 HB3 PHE 2 12.471 26.615 19.277 12 HD1 PHE 2 HD1 PHE 2 13.894 24.823 20.430 13 HD2 PHE 2 HD2 PHE 2 14.741 29.039 20.635 14 HE1 PHE 2 HE1 PHE 2 15.743 24.376 21.944 15 HE2 PHE 2 HE2 PHE 2 16.610 28.594 22.114 16 HZ PHE 2 HZ PHE 2 17.144 26.252 22.857 17 H CYS 3 H CYS 3 15.428 24.817 17.246 18 HA CYS 3 HA CYS 3 17.806 24.861 18.802 19 HB2 CYS 3 HB2 CYS 3 16.694 22.883 17.888 20 HB3 CYS 3 HB3 CYS 3 17.140 23.347 16.246 21 H ASN 4 H ASN 4 19.511 26.048 18.626 22 HA ASN 4 HA ASN 4 20.415 27.397 16.152 23 HB2 ASN 4 HB2 ASN 4 20.437 28.481 18.429 24 HB3 ASN 4 HB3 ASN 4 21.618 27.305 18.966 25 HD21 ASN 4 HD21 ASN 4 22.971 30.626 17.463 26 HD22 ASN 4 HD22 ASN 4 21.471 30.365 18.354 27 H LEU 5 H LEU 5 21.607 26.209 14.713 28 HA LEU 5 HA LEU 5 23.006 23.778 15.531 29 HB2 LEU 5 HB2 LEU 5 21.842 23.980 13.377 30 HB3 LEU 5 HB3 LEU 5 22.881 25.326 12.907 31 HG LEU 5 HG LEU 5 24.824 23.873 12.793 32 HD11 LEU 5 HD11 LEU 5 24.563 21.389 12.996 33 HD12 LEU 5 HD12 LEU 5 24.348 22.213 14.544 34 HD13 LEU 5 HD13 LEU 5 22.923 21.643 13.642 35 HD21 LEU 5 HD21 LEU 5 23.330 24.068 10.830 36 HD22 LEU 5 HD22 LEU 5 24.138 22.492 10.889 37 HD23 LEU 5 HD23 LEU 5 22.429 22.634 11.372 38 H ARG 6 H ARG 6 23.950 27.156 14.814 39 HA ARG 6 HA ARG 6 26.765 26.750 14.601 40 HB2 ARG 6 HB2 ARG 6 25.320 29.241 15.627 41 HB3 ARG 6 HB3 ARG 6 26.971 29.145 15.022 42 HG2 ARG 6 HG2 ARG 6 26.078 28.391 12.803 43 HG3 ARG 6 HG3 ARG 6 24.432 28.642 13.425 44 HD2 ARG 6 HD2 ARG 6 24.924 31.028 13.804 45 HD3 ARG 6 HD3 ARG 6 26.576 30.788 13.183 46 HE ARG 6 HE ARG 6 24.716 29.826 11.241 47 HH11 ARG 6 HH11 ARG 6 25.838 32.950 12.531 48 HH12 ARG 6 HH12 ARG 6 25.394 33.762 11.025 49 HH21 ARG 6 HH21 ARG 6 24.287 31.019 9.390 50 HH22 ARG 6 HH22 ARG 6 24.710 32.727 9.332 51 H ARG 7 H ARG 7 24.806 27.480 17.523 52 HA ARG 7 HA ARG 7 27.060 27.525 19.383 53 HB2 ARG 7 HB2 ARG 7 24.057 27.050 19.742 54 HB3 ARG 7 HB3 ARG 7 25.202 27.118 21.082 55 HG2 ARG 7 HG2 ARG 7 25.899 29.404 20.391 56 HG3 ARG 7 HG3 ARG 7 24.726 29.360 19.084 57 HD2 ARG 7 HD2 ARG 7 23.655 30.585 20.786 58 HD3 ARG 7 HD3 ARG 7 22.911 28.978 20.835 59 HE ARG 7 HE ARG 7 25.199 29.436 22.667 60 HH11 ARG 7 HH11 ARG 7 21.645 29.627 22.470 61 HH12 ARG 7 HH12 ARG 7 21.568 29.769 24.225 62 HH21 ARG 7 HH21 ARG 7 24.816 29.303 24.901 63 HH22 ARG 7 HH22 ARG 7 23.169 29.565 25.467 64 H CYS 8 H CYS 8 25.194 24.960 18.023 65 HA CYS 8 HA CYS 8 26.235 22.917 19.861 66 HB2 CYS 8 HB2 CYS 8 24.312 22.896 17.521 67 HB3 CYS 8 HB3 CYS 8 24.791 21.438 18.397 68 H GLU 9 H GLU 9 26.881 23.826 16.418 69 HA GLU 9 HA GLU 9 28.583 21.634 15.813 70 HB2 GLU 9 HB2 GLU 9 28.572 24.504 14.789 71 HB3 GLU 9 HB3 GLU 9 29.696 23.268 14.222 72 HG2 GLU 9 HG2 GLU 9 27.596 21.818 13.743 73 HG3 GLU 9 HG3 GLU 9 26.707 23.334 13.856 74 H LEU 10 H LEU 10 29.512 24.811 17.273 75 HA LEU 10 HA LEU 10 32.260 24.076 17.605 76 HB2 LEU 10 HB2 LEU 10 32.482 26.050 18.925 77 HB3 LEU 10 HB3 LEU 10 31.464 26.365 17.543 78 HG LEU 10 HG LEU 10 29.488 25.925 19.298 79 HD11 LEU 10 HD11 LEU 10 30.016 26.839 21.514 80 HD12 LEU 10 HD12 LEU 10 31.027 25.423 21.243 81 HD13 LEU 10 HD13 LEU 10 31.722 27.040 21.063 82 HD21 LEU 10 HD21 LEU 10 29.431 28.358 19.733 83 HD22 LEU 10 HD22 LEU 10 31.114 28.499 19.178 84 HD23 LEU 10 HD23 LEU 10 29.835 28.013 18.046 85 H SER 11 H SER 11 29.428 23.552 19.687 86 HA SER 11 HA SER 11 30.844 22.636 22.002 87 HB2 SER 11 HB2 SER 11 28.495 23.350 22.028 88 HB3 SER 11 HB3 SER 11 28.037 21.955 21.034 89 HG SER 11 HG SER 11 28.239 20.658 22.697 90 H CYS 12 H CYS 12 29.607 20.872 19.141 91 HA CYS 12 HA CYS 12 30.608 18.301 20.101 92 HB2 CYS 12 HB2 CYS 12 29.705 19.123 17.323 93 HB3 CYS 12 HB3 CYS 12 30.032 17.480 17.891 94 H ARG 13 H ARG 13 31.866 20.822 17.825 95 HA ARG 13 HA ARG 13 34.191 19.400 16.992 96 HB2 ARG 13 HB2 ARG 13 33.412 21.525 15.972 97 HB3 ARG 13 HB3 ARG 13 33.812 22.387 17.455 98 HG2 ARG 13 HG2 ARG 13 35.529 22.743 15.755 99 HG3 ARG 13 HG3 ARG 13 36.202 21.932 17.159 100 HD2 ARG 13 HD2 ARG 13 37.111 20.963 15.123 101 HD3 ARG 13 HD3 ARG 13 36.123 19.760 15.950 102 HE ARG 13 HE ARG 13 34.717 21.360 13.900 103 HH11 ARG 13 HH11 ARG 13 36.707 18.488 14.189 104 HH12 ARG 13 HH12 ARG 13 36.106 17.839 12.690 105 HH21 ARG 13 HH21 ARG 13 33.994 20.534 12.170 106 HH22 ARG 13 HH22 ARG 13 34.554 19.016 11.498 107 H SER 14 H SER 14 33.563 21.264 19.950 108 HA SER 14 HA SER 14 36.212 21.011 20.980 109 HB2 SER 14 HB2 SER 14 34.566 22.674 21.787 110 HB3 SER 14 HB3 SER 14 33.578 21.369 22.455 111 HG SER 14 HG SER 14 34.738 22.021 24.124 112 H LEU 15 H LEU 15 33.645 18.664 20.907 113 HA LEU 15 HA LEU 15 35.104 16.785 22.674 114 HB2 LEU 15 HB2 LEU 15 32.526 16.493 21.099 115 HB3 LEU 15 HB3 LEU 15 33.182 15.293 22.217 116 HG LEU 15 HG LEU 15 32.271 18.100 23.006 117 HD11 LEU 15 HD11 LEU 15 30.350 16.954 24.000 118 HD12 LEU 15 HD12 LEU 15 30.420 16.675 22.250 119 HD13 LEU 15 HD13 LEU 15 30.934 15.398 23.374 120 HD21 LEU 15 HD21 LEU 15 33.980 17.262 24.556 121 HD22 LEU 15 HD22 LEU 15 32.387 17.214 25.314 122 HD23 LEU 15 HD23 LEU 15 33.109 15.718 24.700 123 H GLY 16 H GLY 16 35.382 17.777 19.492 124 HA2 GLY 16 HA2 GLY 16 36.798 16.937 17.855 125 HA3 GLY 16 HA3 GLY 16 36.844 15.359 18.647 126 H LEU 17 H LEU 17 33.746 16.910 17.938 127 HA LEU 17 HA LEU 17 33.229 14.883 15.784 128 HB2 LEU 17 HB2 LEU 17 30.949 15.599 17.547 129 HB3 LEU 17 HB3 LEU 17 31.309 14.083 16.745 130 HG LEU 17 HG LEU 17 32.641 15.148 19.201 131 HD11 LEU 17 HD11 LEU 17 30.314 13.251 19.009 132 HD12 LEU 17 HD12 LEU 17 31.314 13.422 20.466 133 HD13 LEU 17 HD13 LEU 17 30.432 14.815 19.865 134 HD21 LEU 17 HD21 LEU 17 33.938 13.321 17.965 135 HD22 LEU 17 HD22 LEU 17 33.432 12.815 19.578 136 HD23 LEU 17 HD23 LEU 17 32.533 12.266 18.148 137 H LEU 18 H LEU 18 31.062 15.179 14.868 138 HA LEU 18 HA LEU 18 30.600 17.933 13.802 139 HB2 LEU 18 HB2 LEU 18 29.915 15.170 12.849 140 HB3 LEU 18 HB3 LEU 18 28.818 16.492 12.468 141 HG LEU 18 HG LEU 18 30.634 17.767 11.402 142 HD11 LEU 18 HD11 LEU 18 32.617 16.884 12.561 143 HD12 LEU 18 HD12 LEU 18 32.335 15.280 11.832 144 HD13 LEU 18 HD13 LEU 18 32.752 16.674 10.816 145 HD21 LEU 18 HD21 LEU 18 29.180 16.293 10.087 146 HD22 LEU 18 HD22 LEU 18 30.813 16.340 9.406 147 HD23 LEU 18 HD23 LEU 18 30.291 14.930 10.356 148 H GLY 19 H GLY 19 28.463 18.834 13.901 149 HA2 GLY 19 HA2 GLY 19 26.702 17.806 16.108 150 HA3 GLY 19 HA3 GLY 19 27.016 19.515 15.839 151 H GLU 20 H GLU 20 24.452 18.096 15.889 152 HA GLU 20 HA GLU 20 23.347 19.174 13.372 153 HB2 GLU 20 HB2 GLU 20 23.842 16.844 12.851 154 HB3 GLU 20 HB3 GLU 20 23.095 16.310 14.353 155 HG2 GLU 20 HG2 GLU 20 21.652 15.778 12.578 156 HG3 GLU 20 HG3 GLU 20 20.874 17.024 13.516 157 H CYS 21 H CYS 21 21.173 19.725 13.478 158 HA CYS 21 HA CYS 21 19.892 19.835 16.186 159 HB2 CYS 21 HB2 CYS 21 19.627 21.476 13.670 160 HB3 CYS 21 HB3 CYS 21 18.259 21.344 14.757 161 H ILE 22 H ILE 22 18.185 18.532 16.611 162 HA ILE 22 HA ILE 22 16.922 16.937 14.446 163 HB ILE 22 HB ILE 22 16.349 17.059 17.419 164 HG12 ILE 22 HG12 ILE 22 18.565 16.169 17.125 165 HG13 ILE 22 HG13 ILE 22 17.472 14.863 17.527 166 HG21 ILE 22 HG21 ILE 22 15.295 15.203 15.251 167 HG22 ILE 22 HG22 ILE 22 15.164 14.878 16.988 168 HG23 ILE 22 HG23 ILE 22 14.360 16.288 16.299 169 HD11 ILE 22 HD11 ILE 22 18.998 14.088 15.823 170 HD12 ILE 22 HD12 ILE 22 17.394 14.212 15.079 171 HD13 ILE 22 HD13 ILE 22 18.630 15.461 14.775 172 H GLY 23 H GLY 23 16.151 19.698 16.492 173 HA2 GLY 23 HA2 GLY 23 14.757 21.186 14.636 174 HA3 GLY 23 HA3 GLY 23 13.498 20.198 15.395 175 H GLU 24 H GLU 24 14.252 20.071 18.003 176 HA GLU 24 HA GLU 24 14.504 22.889 19.005 177 HB2 GLU 24 HB2 GLU 24 13.153 20.609 20.459 178 HB3 GLU 24 HB3 GLU 24 13.086 22.328 20.819 179 HG2 GLU 24 HG2 GLU 24 11.755 20.853 18.518 180 HG3 GLU 24 HG3 GLU 24 10.966 21.584 19.902 181 H GLU 25 H GLU 25 15.630 19.540 19.283 182 HA GLU 25 HA GLU 25 17.680 20.361 21.292 183 HB2 GLU 25 HB2 GLU 25 16.212 18.694 22.130 184 HB3 GLU 25 HB3 GLU 25 16.396 17.678 20.691 185 HG2 GLU 25 HG2 GLU 25 18.678 17.180 21.210 186 HG3 GLU 25 HG3 GLU 25 18.742 18.427 22.460 187 H CYS 26 H CYS 26 19.819 19.978 20.975 188 HA CYS 26 HA CYS 26 20.765 19.230 18.258 189 HB2 CYS 26 HB2 CYS 26 22.266 20.240 20.692 190 HB3 CYS 26 HB3 CYS 26 22.968 19.921 19.117 191 H LYS 27 H LYS 27 22.257 17.602 17.893 192 HA LYS 27 HA LYS 27 23.302 15.962 20.149 193 HB2 LYS 27 HB2 LYS 27 22.948 13.895 18.905 194 HB3 LYS 27 HB3 LYS 27 21.421 14.665 19.307 195 HG2 LYS 27 HG2 LYS 27 20.793 14.860 17.152 196 HG3 LYS 27 HG3 LYS 27 22.330 15.546 16.653 197 HD2 LYS 27 HD2 LYS 27 21.989 13.507 15.433 198 HD3 LYS 27 HD3 LYS 27 23.338 13.296 16.565 199 HE2 LYS 27 HE2 LYS 27 21.755 12.172 18.164 200 HE3 LYS 27 HE3 LYS 27 20.484 12.290 16.944 201 HZ1 LYS 27 HZ1 LYS 27 23.067 10.850 16.599 202 HZ2 LYS 27 HZ2 LYS 27 21.672 10.123 16.913 203 HZ3 LYS 27 HZ3 LYS 27 21.868 10.913 15.466 204 H CYS 28 H CYS 28 25.264 14.770 19.595 205 HA CYS 28 HA CYS 28 26.785 16.005 17.326 206 HB2 CYS 28 HB2 CYS 28 27.852 14.405 19.658 207 HB3 CYS 28 HB3 CYS 28 28.789 15.227 18.402 208 H VAL 29 H VAL 29 27.672 14.705 15.727 209 HA VAL 29 HA VAL 29 26.480 11.969 15.597 210 HB VAL 29 HB VAL 29 26.365 12.204 13.196 211 HG11 VAL 29 HG11 VAL 29 24.412 13.687 13.139 212 HG12 VAL 29 HG12 VAL 29 24.406 12.646 14.566 213 HG13 VAL 29 HG13 VAL 29 24.862 14.367 14.714 214 HG21 VAL 29 HG21 VAL 29 28.047 13.890 12.720 215 HG22 VAL 29 HG22 VAL 29 26.476 14.421 12.121 216 HG23 VAL 29 HG23 VAL 29 27.113 15.118 13.618 217 HA PRO 30 HA PRO 30 30.556 10.291 15.011 218 HB2 PRO 30 HB2 PRO 30 29.962 7.790 14.164 219 HB3 PRO 30 HB3 PRO 30 29.481 8.361 15.796 220 HG2 PRO 30 HG2 PRO 30 27.791 8.271 13.276 221 HG3 PRO 30 HG3 PRO 30 27.382 7.629 14.899 222 HD2 PRO 30 HD2 PRO 30 26.566 10.093 14.065 223 HD3 PRO 30 HD3 PRO 30 27.000 9.762 15.765 224 H TYR 31 H TYR 31 28.471 10.976 12.452 225 HA TYR 31 HA TYR 31 29.498 9.627 10.272 226 HB2 TYR 31 HB2 TYR 31 28.150 12.330 10.150 227 HB3 TYR 31 HB3 TYR 31 28.121 11.044 8.949 228 HD1 TYR 31 HD1 TYR 31 27.448 8.660 10.705 229 HD2 TYR 31 HD2 TYR 31 25.828 12.647 10.459 230 HE1 TYR 31 HE1 TYR 31 25.276 7.837 11.608 231 HE2 TYR 31 HE2 TYR 31 23.648 11.814 11.345 232 HH TYR 31 HH TYR 31 22.655 9.958 12.540 Start of MODEL 3 1 H1 ALA 1 H1 ALA 1 10.240 27.117 12.994 2 H2 ALA 1 H2 ALA 1 10.218 27.933 14.426 3 H3 ALA 1 H3 ALA 1 9.053 26.835 14.091 4 HA ALA 1 HA ALA 1 10.698 26.010 15.675 5 HB1 ALA 1 HB1 ALA 1 10.551 24.594 12.978 6 HB2 ALA 1 HB2 ALA 1 11.186 23.873 14.468 7 HB3 ALA 1 HB3 ALA 1 9.482 24.353 14.383 8 H PHE 2 H PHE 2 12.781 26.436 16.342 9 HA PHE 2 HA PHE 2 15.030 26.433 14.422 10 HB2 PHE 2 HB2 PHE 2 14.860 28.602 14.060 11 HB3 PHE 2 HB3 PHE 2 13.587 28.823 15.255 12 HD1 PHE 2 HD1 PHE 2 14.079 29.091 17.626 13 HD2 PHE 2 HD2 PHE 2 17.204 28.895 14.660 14 HE1 PHE 2 HE1 PHE 2 15.736 29.389 19.365 15 HE2 PHE 2 HE2 PHE 2 18.873 29.238 16.397 16 HZ PHE 2 HZ PHE 2 18.190 29.538 18.796 17 H CYS 3 H CYS 3 16.930 25.958 15.299 18 HA CYS 3 HA CYS 3 17.279 25.674 18.212 19 HB2 CYS 3 HB2 CYS 3 18.647 23.597 17.454 20 HB3 CYS 3 HB3 CYS 3 16.907 23.463 17.647 21 H ASN 4 H ASN 4 19.360 26.152 18.907 22 HA ASN 4 HA ASN 4 21.074 27.643 17.061 23 HB2 ASN 4 HB2 ASN 4 20.616 28.240 19.474 24 HB3 ASN 4 HB3 ASN 4 21.736 26.979 19.951 25 HD21 ASN 4 HD21 ASN 4 23.239 30.495 19.290 26 HD22 ASN 4 HD22 ASN 4 21.610 30.128 19.887 27 H LEU 5 H LEU 5 21.432 25.960 15.584 28 HA LEU 5 HA LEU 5 22.921 23.571 16.093 29 HB2 LEU 5 HB2 LEU 5 21.571 23.995 14.077 30 HB3 LEU 5 HB3 LEU 5 22.633 25.322 13.619 31 HG LEU 5 HG LEU 5 24.506 23.758 13.279 32 HD11 LEU 5 HD11 LEU 5 23.958 21.953 14.863 33 HD12 LEU 5 HD12 LEU 5 22.478 21.576 13.945 34 HD13 LEU 5 HD13 LEU 5 24.078 21.301 13.228 35 HD21 LEU 5 HD21 LEU 5 22.997 24.292 11.409 36 HD22 LEU 5 HD22 LEU 5 23.612 22.632 11.281 37 HD23 LEU 5 HD23 LEU 5 21.960 22.916 11.846 38 H ARG 6 H ARG 6 23.933 26.961 15.662 39 HA ARG 6 HA ARG 6 26.746 26.381 15.273 40 HB2 ARG 6 HB2 ARG 6 25.207 28.878 16.065 41 HB3 ARG 6 HB3 ARG 6 26.976 28.847 15.955 42 HG2 ARG 6 HG2 ARG 6 26.886 28.064 13.644 43 HG3 ARG 6 HG3 ARG 6 25.121 28.022 13.665 44 HD2 ARG 6 HD2 ARG 6 26.695 30.563 14.204 45 HD3 ARG 6 HD3 ARG 6 26.300 30.013 12.580 46 HE ARG 6 HE ARG 6 24.152 30.483 14.624 47 HH11 ARG 6 HH11 ARG 6 25.331 31.109 11.364 48 HH12 ARG 6 HH12 ARG 6 23.954 32.128 11.001 49 HH21 ARG 6 HH21 ARG 6 22.468 31.669 14.061 50 HH22 ARG 6 HH22 ARG 6 22.388 32.492 12.506 51 H ARG 7 H ARG 7 24.952 27.172 18.322 52 HA ARG 7 HA ARG 7 27.319 26.914 20.006 53 HB2 ARG 7 HB2 ARG 7 24.328 26.709 20.552 54 HB3 ARG 7 HB3 ARG 7 25.543 26.440 21.806 55 HG2 ARG 7 HG2 ARG 7 26.508 28.672 21.412 56 HG3 ARG 7 HG3 ARG 7 25.302 28.992 20.164 57 HD2 ARG 7 HD2 ARG 7 24.582 30.068 22.204 58 HD3 ARG 7 HD3 ARG 7 23.493 28.714 21.857 59 HE ARG 7 HE ARG 7 25.734 28.086 23.669 60 HH11 ARG 7 HH11 ARG 7 22.368 29.218 23.748 61 HH12 ARG 7 HH12 ARG 7 22.137 28.360 25.282 62 HH21 ARG 7 HH21 ARG 7 25.302 27.223 25.553 63 HH22 ARG 7 HH22 ARG 7 23.671 27.358 26.253 64 H CYS 8 H CYS 8 25.041 24.608 18.757 65 HA CYS 8 HA CYS 8 25.999 22.289 20.197 66 HB2 CYS 8 HB2 CYS 8 23.771 22.535 19.200 67 HB3 CYS 8 HB3 CYS 8 24.481 22.632 17.597 68 H GLU 9 H GLU 9 26.657 23.455 16.819 69 HA GLU 9 HA GLU 9 28.482 21.414 16.112 70 HB2 GLU 9 HB2 GLU 9 27.987 24.236 15.157 71 HB3 GLU 9 HB3 GLU 9 29.365 23.359 14.528 72 HG2 GLU 9 HG2 GLU 9 26.627 22.055 14.451 73 HG3 GLU 9 HG3 GLU 9 27.073 23.282 13.263 74 H LEU 10 H LEU 10 29.222 24.558 17.761 75 HA LEU 10 HA LEU 10 32.045 23.896 17.878 76 HB2 LEU 10 HB2 LEU 10 32.344 25.871 19.131 77 HB3 LEU 10 HB3 LEU 10 31.271 26.167 17.783 78 HG LEU 10 HG LEU 10 29.371 25.849 19.616 79 HD11 LEU 10 HD11 LEU 10 31.713 26.857 21.292 80 HD12 LEU 10 HD12 LEU 10 30.013 26.795 21.794 81 HD13 LEU 10 HD13 LEU 10 30.910 25.298 21.521 82 HD21 LEU 10 HD21 LEU 10 31.094 28.348 19.419 83 HD22 LEU 10 HD22 LEU 10 29.766 27.907 18.323 84 HD23 LEU 10 HD23 LEU 10 29.417 28.285 20.018 85 H SER 11 H SER 11 29.310 23.376 20.128 86 HA SER 11 HA SER 11 30.808 22.392 22.353 87 HB2 SER 11 HB2 SER 11 28.327 22.842 22.329 88 HB3 SER 11 HB3 SER 11 28.102 21.369 21.382 89 HG SER 11 HG SER 11 28.592 21.738 24.042 90 H CYS 12 H CYS 12 29.577 20.730 19.453 91 HA CYS 12 HA CYS 12 30.693 18.152 20.132 92 HB2 CYS 12 HB2 CYS 12 29.635 19.222 17.482 93 HB3 CYS 12 HB3 CYS 12 29.994 17.537 17.869 94 H ARG 13 H ARG 13 31.820 20.859 17.990 95 HA ARG 13 HA ARG 13 34.192 19.662 17.043 96 HB2 ARG 13 HB2 ARG 13 33.223 21.886 16.357 97 HB3 ARG 13 HB3 ARG 13 33.848 22.577 17.864 98 HG2 ARG 13 HG2 ARG 13 36.162 21.997 17.141 99 HG3 ARG 13 HG3 ARG 13 35.502 21.255 15.677 100 HD2 ARG 13 HD2 ARG 13 36.187 23.351 14.951 101 HD3 ARG 13 HD3 ARG 13 34.443 23.557 15.172 102 HE ARG 13 HE ARG 13 35.568 24.337 17.616 103 HH11 ARG 13 HH11 ARG 13 35.898 25.512 14.326 104 HH12 ARG 13 HH12 ARG 13 36.598 27.021 14.855 105 HH21 ARG 13 HH21 ARG 13 36.438 26.183 18.197 106 HH22 ARG 13 HH22 ARG 13 37.060 27.342 17.014 107 H SER 14 H SER 14 33.559 21.129 20.221 108 HA SER 14 HA SER 14 36.281 21.002 21.042 109 HB2 SER 14 HB2 SER 14 35.575 21.616 23.194 110 HB3 SER 14 HB3 SER 14 34.374 22.346 22.124 111 HG SER 14 HG SER 14 32.975 20.553 22.636 112 H LEU 15 H LEU 15 34.007 18.452 20.835 113 HA LEU 15 HA LEU 15 35.802 16.523 22.242 114 HB2 LEU 15 HB2 LEU 15 32.989 16.196 21.145 115 HB3 LEU 15 HB3 LEU 15 33.887 14.993 22.064 116 HG LEU 15 HG LEU 15 32.878 17.691 23.094 117 HD11 LEU 15 HD11 LEU 15 31.116 16.029 22.668 118 HD12 LEU 15 HD12 LEU 15 31.980 14.840 23.667 119 HD13 LEU 15 HD13 LEU 15 31.332 16.322 24.401 120 HD21 LEU 15 HD21 LEU 15 34.323 15.434 24.557 121 HD22 LEU 15 HD22 LEU 15 34.917 17.091 24.313 122 HD23 LEU 15 HD23 LEU 15 33.509 16.797 25.342 123 H GLY 16 H GLY 16 35.735 17.889 19.304 124 HA2 GLY 16 HA2 GLY 16 36.818 17.343 17.347 125 HA3 GLY 16 HA3 GLY 16 37.084 15.699 17.930 126 H LEU 17 H LEU 17 33.807 16.884 18.019 127 HA LEU 17 HA LEU 17 33.136 15.007 15.774 128 HB2 LEU 17 HB2 LEU 17 30.993 15.787 17.666 129 HB3 LEU 17 HB3 LEU 17 31.242 14.282 16.815 130 HG LEU 17 HG LEU 17 32.694 15.288 19.207 131 HD11 LEU 17 HD11 LEU 17 30.507 14.834 19.893 132 HD12 LEU 17 HD12 LEU 17 30.490 13.244 19.067 133 HD13 LEU 17 HD13 LEU 17 31.517 13.527 20.490 134 HD21 LEU 17 HD21 LEU 17 34.067 13.610 17.893 135 HD22 LEU 17 HD22 LEU 17 33.581 12.943 19.452 136 HD23 LEU 17 HD23 LEU 17 32.710 12.471 17.978 137 H LEU 18 H LEU 18 30.786 15.504 15.083 138 HA LEU 18 HA LEU 18 30.477 18.371 14.223 139 HB2 LEU 18 HB2 LEU 18 29.685 15.757 12.897 140 HB3 LEU 18 HB3 LEU 18 28.930 17.286 12.497 141 HG LEU 18 HG LEU 18 31.195 18.221 11.894 142 HD11 LEU 18 HD11 LEU 18 32.064 15.320 12.120 143 HD12 LEU 18 HD12 LEU 18 32.952 16.574 11.233 144 HD13 LEU 18 HD13 LEU 18 32.753 16.727 12.971 145 HD21 LEU 18 HD21 LEU 18 31.233 17.089 9.705 146 HD22 LEU 18 HD22 LEU 18 30.243 15.763 10.361 147 HD23 LEU 18 HD23 LEU 18 29.574 17.410 10.225 148 H GLY 19 H GLY 19 28.384 19.248 14.340 149 HA2 GLY 19 HA2 GLY 19 26.507 17.973 16.292 150 HA3 GLY 19 HA3 GLY 19 26.570 19.675 15.885 151 H GLU 20 H GLU 20 24.334 17.774 15.910 152 HA GLU 20 HA GLU 20 23.098 18.636 13.353 153 HB2 GLU 20 HB2 GLU 20 23.868 16.332 12.905 154 HB3 GLU 20 HB3 GLU 20 23.129 15.792 14.402 155 HG2 GLU 20 HG2 GLU 20 21.639 15.083 12.847 156 HG3 GLU 20 HG3 GLU 20 20.856 16.516 13.418 157 H CYS 21 H CYS 21 21.096 19.369 13.602 158 HA CYS 21 HA CYS 21 19.756 19.225 16.241 159 HB2 CYS 21 HB2 CYS 21 19.993 21.423 15.283 160 HB3 CYS 21 HB3 CYS 21 19.202 20.904 13.793 161 H ILE 22 H ILE 22 18.016 18.050 16.636 162 HA ILE 22 HA ILE 22 16.923 16.325 14.454 163 HB ILE 22 HB ILE 22 16.687 16.063 17.464 164 HG12 ILE 22 HG12 ILE 22 18.956 15.582 16.792 165 HG13 ILE 22 HG13 ILE 22 18.126 14.101 17.234 166 HG21 ILE 22 HG21 ILE 22 15.772 13.785 16.936 167 HG22 ILE 22 HG22 ILE 22 14.705 15.105 16.460 168 HG23 ILE 22 HG23 ILE 22 15.666 14.257 15.231 169 HD11 ILE 22 HD11 ILE 22 17.865 13.520 14.819 170 HD12 ILE 22 HD12 ILE 22 18.738 15.011 14.385 171 HD13 ILE 22 HD13 ILE 22 19.557 13.736 15.291 172 H GLY 23 H GLY 23 15.496 18.073 17.257 173 HA2 GLY 23 HA2 GLY 23 13.215 18.971 15.557 174 HA3 GLY 23 HA3 GLY 23 12.903 17.858 16.892 175 H GLU 24 H GLU 24 14.389 20.966 16.114 176 HA GLU 24 HA GLU 24 14.782 22.889 17.216 177 HB2 GLU 24 HB2 GLU 24 12.552 22.215 19.148 178 HB3 GLU 24 HB3 GLU 24 13.258 23.794 18.797 179 HG2 GLU 24 HG2 GLU 24 12.375 23.764 16.534 180 HG3 GLU 24 HG3 GLU 24 11.756 22.121 16.745 181 H GLU 25 H GLU 25 15.876 20.164 18.323 182 HA GLU 25 HA GLU 25 17.549 21.410 20.398 183 HB2 GLU 25 HB2 GLU 25 16.167 18.727 20.762 184 HB3 GLU 25 HB3 GLU 25 17.413 19.369 21.819 185 HG2 GLU 25 HG2 GLU 25 14.663 20.646 21.403 186 HG3 GLU 25 HG3 GLU 25 15.067 19.533 22.682 187 H CYS 26 H CYS 26 19.644 20.291 20.593 188 HA CYS 26 HA CYS 26 20.346 18.762 18.125 189 HB2 CYS 26 HB2 CYS 26 20.607 21.211 17.929 190 HB3 CYS 26 HB3 CYS 26 21.729 21.198 19.277 191 H LYS 27 H LYS 27 22.184 17.589 18.011 192 HA LYS 27 HA LYS 27 23.650 16.786 20.471 193 HB2 LYS 27 HB2 LYS 27 23.064 14.446 20.122 194 HB3 LYS 27 HB3 LYS 27 21.618 15.421 20.398 195 HG2 LYS 27 HG2 LYS 27 21.356 15.494 17.821 196 HG3 LYS 27 HG3 LYS 27 22.618 14.259 17.755 197 HD2 LYS 27 HD2 LYS 27 19.941 14.055 19.202 198 HD3 LYS 27 HD3 LYS 27 20.357 13.316 17.643 199 HE2 LYS 27 HE2 LYS 27 22.179 12.032 18.788 200 HE3 LYS 27 HE3 LYS 27 21.603 12.659 20.340 201 HZ1 LYS 27 HZ1 LYS 27 19.477 11.572 19.934 202 HZ2 LYS 27 HZ2 LYS 27 19.966 11.094 18.426 203 HZ3 LYS 27 HZ3 LYS 27 20.681 10.461 19.755 204 H CYS 28 H CYS 28 25.471 15.247 19.962 205 HA CYS 28 HA CYS 28 26.789 16.046 17.437 206 HB2 CYS 28 HB2 CYS 28 27.909 14.352 19.676 207 HB3 CYS 28 HB3 CYS 28 28.805 15.206 18.418 208 H VAL 29 H VAL 29 27.748 14.650 15.949 209 HA VAL 29 HA VAL 29 26.703 11.847 15.866 210 HB VAL 29 HB VAL 29 26.873 11.954 13.407 211 HG11 VAL 29 HG11 VAL 29 24.964 13.984 14.612 212 HG12 VAL 29 HG12 VAL 29 24.788 13.136 13.057 213 HG13 VAL 29 HG13 VAL 29 24.735 12.220 14.571 214 HG21 VAL 29 HG21 VAL 29 28.402 13.844 13.089 215 HG22 VAL 29 HG22 VAL 29 26.875 14.111 12.242 216 HG23 VAL 29 HG23 VAL 29 27.189 14.961 13.762 217 HA PRO 30 HA PRO 30 30.865 10.561 16.046 218 HB2 PRO 30 HB2 PRO 30 30.767 7.996 15.125 219 HB3 PRO 30 HB3 PRO 30 29.909 8.509 16.610 220 HG2 PRO 30 HG2 PRO 30 28.782 8.260 13.797 221 HG3 PRO 30 HG3 PRO 30 28.128 7.558 15.313 222 HD2 PRO 30 HD2 PRO 30 27.204 9.912 14.326 223 HD3 PRO 30 HD3 PRO 30 27.398 9.666 16.087 224 H TYR 31 H TYR 31 29.496 11.030 12.984 225 HA TYR 31 HA TYR 31 31.179 9.758 11.188 226 HB2 TYR 31 HB2 TYR 31 29.827 12.415 10.678 227 HB3 TYR 31 HB3 TYR 31 30.179 11.147 9.511 228 HD1 TYR 31 HD1 TYR 31 29.093 8.757 11.219 229 HD2 TYR 31 HD2 TYR 31 27.501 12.644 10.229 230 HE1 TYR 31 HE1 TYR 31 26.781 7.918 11.601 231 HE2 TYR 31 HE2 TYR 31 25.190 11.780 10.575 232 HH TYR 31 HH TYR 31 23.896 9.813 10.863 Start of MODEL 4 1 H1 ALA 1 H1 ALA 1 11.166 26.184 14.922 2 H2 ALA 1 H2 ALA 1 11.022 25.336 16.345 3 H3 ALA 1 H3 ALA 1 10.556 24.660 14.932 4 HA ALA 1 HA ALA 1 12.728 23.933 15.927 5 HB1 ALA 1 HB1 ALA 1 12.059 23.203 13.725 6 HB2 ALA 1 HB2 ALA 1 12.506 24.773 13.009 7 HB3 ALA 1 HB3 ALA 1 13.753 23.692 13.677 8 H PHE 2 H PHE 2 13.328 25.745 17.426 9 HA PHE 2 HA PHE 2 14.809 27.990 16.206 10 HB2 PHE 2 HB2 PHE 2 13.987 27.540 19.095 11 HB3 PHE 2 HB3 PHE 2 14.644 29.022 18.412 12 HD1 PHE 2 HD1 PHE 2 11.629 27.058 18.944 13 HD2 PHE 2 HD2 PHE 2 13.353 30.242 16.596 14 HE1 PHE 2 HE1 PHE 2 9.355 27.804 18.273 15 HE2 PHE 2 HE2 PHE 2 11.085 30.969 15.920 16 HZ PHE 2 HZ PHE 2 9.077 29.767 16.769 17 H CYS 3 H CYS 3 15.906 25.146 16.611 18 HA CYS 3 HA CYS 3 17.864 25.179 18.620 19 HB2 CYS 3 HB2 CYS 3 18.700 23.164 17.548 20 HB3 CYS 3 HB3 CYS 3 16.954 23.157 17.678 21 H ASN 4 H ASN 4 19.657 26.161 18.809 22 HA ASN 4 HA ASN 4 21.005 27.637 16.686 23 HB2 ASN 4 HB2 ASN 4 20.719 28.343 19.091 24 HB3 ASN 4 HB3 ASN 4 21.943 27.174 19.547 25 HD21 ASN 4 HD21 ASN 4 23.331 30.648 18.872 26 HD22 ASN 4 HD22 ASN 4 21.821 30.197 19.665 27 H LEU 5 H LEU 5 21.497 25.960 15.225 28 HA LEU 5 HA LEU 5 23.073 23.683 15.772 29 HB2 LEU 5 HB2 LEU 5 21.747 24.009 13.732 30 HB3 LEU 5 HB3 LEU 5 22.790 25.345 13.238 31 HG LEU 5 HG LEU 5 24.701 23.787 13.033 32 HD11 LEU 5 HD11 LEU 5 24.278 21.331 13.013 33 HD12 LEU 5 HD12 LEU 5 24.070 22.012 14.626 34 HD13 LEU 5 HD13 LEU 5 22.640 21.615 13.639 35 HD21 LEU 5 HD21 LEU 5 23.247 24.281 11.095 36 HD22 LEU 5 HD22 LEU 5 23.933 22.652 11.009 37 HD23 LEU 5 HD23 LEU 5 22.238 22.872 11.496 38 H ARG 6 H ARG 6 24.107 27.059 15.066 39 HA ARG 6 HA ARG 6 26.898 26.511 14.904 40 HB2 ARG 6 HB2 ARG 6 25.707 28.598 14.236 41 HB3 ARG 6 HB3 ARG 6 25.575 29.055 15.937 42 HG2 ARG 6 HG2 ARG 6 27.996 29.169 16.170 43 HG3 ARG 6 HG3 ARG 6 28.242 28.463 14.568 44 HD2 ARG 6 HD2 ARG 6 26.894 31.132 15.116 45 HD3 ARG 6 HD3 ARG 6 28.574 30.932 14.598 46 HE ARG 6 HE ARG 6 27.626 29.742 12.552 47 HH11 ARG 6 HH11 ARG 6 25.901 32.497 13.987 48 HH12 ARG 6 HH12 ARG 6 25.013 32.726 12.485 49 HH21 ARG 6 HH21 ARG 6 26.270 30.084 10.829 50 HH22 ARG 6 HH22 ARG 6 25.232 31.503 10.833 51 H ARG 7 H ARG 7 24.998 27.365 17.911 52 HA ARG 7 HA ARG 7 27.351 27.177 19.615 53 HB2 ARG 7 HB2 ARG 7 24.384 26.821 20.229 54 HB3 ARG 7 HB3 ARG 7 25.653 26.702 21.460 55 HG2 ARG 7 HG2 ARG 7 26.443 28.989 20.890 56 HG3 ARG 7 HG3 ARG 7 25.124 29.126 19.725 57 HD2 ARG 7 HD2 ARG 7 23.500 28.700 21.634 58 HD3 ARG 7 HD3 ARG 7 24.885 28.767 22.741 59 HE ARG 7 HE ARG 7 24.630 31.085 20.953 60 HH11 ARG 7 HH11 ARG 7 23.740 29.923 24.215 61 HH12 ARG 7 HH12 ARG 7 23.194 31.541 24.614 62 HH21 ARG 7 HH21 ARG 7 24.088 33.087 21.811 63 HH22 ARG 7 HH22 ARG 7 23.367 33.131 23.422 64 H CYS 8 H CYS 8 25.030 24.788 18.534 65 HA CYS 8 HA CYS 8 25.970 22.549 20.048 66 HB2 CYS 8 HB2 CYS 8 23.776 22.750 18.986 67 HB3 CYS 8 HB3 CYS 8 24.517 22.801 17.399 68 H GLU 9 H GLU 9 26.787 23.574 16.658 69 HA GLU 9 HA GLU 9 28.590 21.423 16.127 70 HB2 GLU 9 HB2 GLU 9 28.248 24.206 14.950 71 HB3 GLU 9 HB3 GLU 9 29.512 23.097 14.395 72 HG2 GLU 9 HG2 GLU 9 27.820 21.369 13.911 73 HG3 GLU 9 HG3 GLU 9 26.533 22.490 14.320 74 H LEU 10 H LEU 10 29.222 24.661 17.498 75 HA LEU 10 HA LEU 10 32.078 24.353 17.730 76 HB2 LEU 10 HB2 LEU 10 30.074 26.016 19.318 77 HB3 LEU 10 HB3 LEU 10 31.823 26.216 19.409 78 HG LEU 10 HG LEU 10 30.253 26.499 16.842 79 HD11 LEU 10 HD11 LEU 10 30.428 28.937 17.160 80 HD12 LEU 10 HD12 LEU 10 29.496 28.193 18.465 81 HD13 LEU 10 HD13 LEU 10 31.182 28.687 18.748 82 HD21 LEU 10 HD21 LEU 10 32.656 26.088 16.493 83 HD22 LEU 10 HD22 LEU 10 32.221 27.738 16.065 84 HD23 LEU 10 HD23 LEU 10 33.056 27.424 17.605 85 H SER 11 H SER 11 29.393 23.563 19.910 86 HA SER 11 HA SER 11 31.119 22.659 22.061 87 HB2 SER 11 HB2 SER 11 28.772 23.302 22.462 88 HB3 SER 11 HB3 SER 11 28.230 21.878 21.541 89 HG SER 11 HG SER 11 29.918 21.862 23.843 90 H CYS 12 H CYS 12 29.582 20.917 19.344 91 HA CYS 12 HA CYS 12 30.692 18.351 20.083 92 HB2 CYS 12 HB2 CYS 12 29.687 19.252 17.358 93 HB3 CYS 12 HB3 CYS 12 30.058 17.598 17.878 94 H ARG 13 H ARG 13 31.905 21.069 18.056 95 HA ARG 13 HA ARG 13 34.297 19.825 17.120 96 HB2 ARG 13 HB2 ARG 13 33.485 22.107 16.451 97 HB3 ARG 13 HB3 ARG 13 33.986 22.712 18.029 98 HG2 ARG 13 HG2 ARG 13 36.342 22.059 17.536 99 HG3 ARG 13 HG3 ARG 13 35.814 21.416 15.975 100 HD2 ARG 13 HD2 ARG 13 36.784 23.559 15.610 101 HD3 ARG 13 HD3 ARG 13 35.042 23.704 15.326 102 HE ARG 13 HE ARG 13 35.272 24.473 17.960 103 HH11 ARG 13 HH11 ARG 13 37.113 25.691 15.157 104 HH12 ARG 13 HH12 ARG 13 37.485 27.148 16.070 105 HH21 ARG 13 HH21 ARG 13 35.723 26.321 18.839 106 HH22 ARG 13 HH22 ARG 13 36.711 27.524 17.983 107 H SER 14 H SER 14 33.549 21.234 20.335 108 HA SER 14 HA SER 14 36.203 20.682 21.337 109 HB2 SER 14 HB2 SER 14 33.605 21.308 22.767 110 HB3 SER 14 HB3 SER 14 35.148 21.077 23.620 111 HG SER 14 HG SER 14 34.318 23.301 22.799 112 H LEU 15 H LEU 15 33.578 18.573 20.787 113 HA LEU 15 HA LEU 15 34.802 16.417 22.466 114 HB2 LEU 15 HB2 LEU 15 32.276 16.398 20.775 115 HB3 LEU 15 HB3 LEU 15 32.850 15.094 21.799 116 HG LEU 15 HG LEU 15 31.870 17.819 22.734 117 HD11 LEU 15 HD11 LEU 15 30.127 16.291 21.894 118 HD12 LEU 15 HD12 LEU 15 30.681 15.030 23.013 119 HD13 LEU 15 HD13 LEU 15 29.985 16.543 23.638 120 HD21 LEU 15 HD21 LEU 15 32.799 15.408 24.362 121 HD22 LEU 15 HD22 LEU 15 33.575 17.007 24.297 122 HD23 LEU 15 HD23 LEU 15 31.976 16.839 25.018 123 H GLY 16 H GLY 16 35.418 17.790 19.519 124 HA2 GLY 16 HA2 GLY 16 36.739 17.095 17.768 125 HA3 GLY 16 HA3 GLY 16 36.790 15.453 18.440 126 H LEU 17 H LEU 17 33.689 16.988 17.846 127 HA LEU 17 HA LEU 17 33.172 15.114 15.575 128 HB2 LEU 17 HB2 LEU 17 30.972 15.776 17.493 129 HB3 LEU 17 HB3 LEU 17 31.164 14.346 16.484 130 HG LEU 17 HG LEU 17 32.656 15.036 18.961 131 HD11 LEU 17 HD11 LEU 17 30.338 13.139 18.587 132 HD12 LEU 17 HD12 LEU 17 31.389 13.134 20.024 133 HD13 LEU 17 HD13 LEU 17 30.461 14.580 19.646 134 HD21 LEU 17 HD21 LEU 17 33.900 13.413 17.405 135 HD22 LEU 17 HD22 LEU 17 33.483 12.682 18.957 136 HD23 LEU 17 HD23 LEU 17 32.508 12.331 17.512 137 H LEU 18 H LEU 18 31.005 15.443 14.693 138 HA LEU 18 HA LEU 18 30.464 18.258 13.820 139 HB2 LEU 18 HB2 LEU 18 29.679 15.528 12.762 140 HB3 LEU 18 HB3 LEU 18 28.761 16.967 12.344 141 HG LEU 18 HG LEU 18 30.921 17.995 11.464 142 HD11 LEU 18 HD11 LEU 18 32.646 16.307 10.708 143 HD12 LEU 18 HD12 LEU 18 32.625 16.563 12.462 144 HD13 LEU 18 HD13 LEU 18 31.871 15.115 11.766 145 HD21 LEU 18 HD21 LEU 18 29.145 17.063 10.030 146 HD22 LEU 18 HD22 LEU 18 30.745 16.781 9.335 147 HD23 LEU 18 HD23 LEU 18 29.885 15.450 10.147 148 H GLY 19 H GLY 19 28.324 19.071 13.921 149 HA2 GLY 19 HA2 GLY 19 26.577 17.949 16.090 150 HA3 GLY 19 HA3 GLY 19 26.672 19.652 15.676 151 H GLU 20 H GLU 20 24.434 17.695 15.722 152 HA GLU 20 HA GLU 20 23.179 18.547 13.161 153 HB2 GLU 20 HB2 GLU 20 23.957 16.291 12.681 154 HB3 GLU 20 HB3 GLU 20 23.194 15.681 14.160 155 HG2 GLU 20 HG2 GLU 20 20.965 16.236 13.299 156 HG3 GLU 20 HG3 GLU 20 21.685 16.937 11.851 157 H CYS 21 H CYS 21 21.233 19.469 13.506 158 HA CYS 21 HA CYS 21 19.964 19.259 16.151 159 HB2 CYS 21 HB2 CYS 21 20.120 21.455 15.349 160 HB3 CYS 21 HB3 CYS 21 19.489 21.022 13.761 161 H ILE 22 H ILE 22 18.207 18.234 16.675 162 HA ILE 22 HA ILE 22 17.025 16.245 14.873 163 HB ILE 22 HB ILE 22 16.562 16.904 17.816 164 HG12 ILE 22 HG12 ILE 22 17.658 14.442 17.893 165 HG13 ILE 22 HG13 ILE 22 18.383 14.954 16.378 166 HG21 ILE 22 HG21 ILE 22 15.609 14.499 16.218 167 HG22 ILE 22 HG22 ILE 22 15.451 14.740 17.967 168 HG23 ILE 22 HG23 ILE 22 14.573 15.802 16.868 169 HD11 ILE 22 HD11 ILE 22 18.586 16.440 19.023 170 HD12 ILE 22 HD12 ILE 22 19.791 15.313 18.389 171 HD13 ILE 22 HD13 ILE 22 19.490 16.834 17.533 172 H GLY 23 H GLY 23 16.067 19.284 16.416 173 HA2 GLY 23 HA2 GLY 23 14.339 20.160 14.445 174 HA3 GLY 23 HA3 GLY 23 13.285 19.264 15.557 175 H GLU 24 H GLU 24 14.159 19.804 18.010 176 HA GLU 24 HA GLU 24 14.529 22.774 18.256 177 HB2 GLU 24 HB2 GLU 24 13.087 20.942 20.205 178 HB3 GLU 24 HB3 GLU 24 13.350 22.664 20.409 179 HG2 GLU 24 HG2 GLU 24 11.612 21.367 18.280 180 HG3 GLU 24 HG3 GLU 24 11.062 22.159 19.748 181 H GLU 25 H GLU 25 15.539 19.576 19.316 182 HA GLU 25 HA GLU 25 17.666 20.687 21.069 183 HB2 GLU 25 HB2 GLU 25 16.210 18.889 21.930 184 HB3 GLU 25 HB3 GLU 25 16.603 17.879 20.553 185 HG2 GLU 25 HG2 GLU 25 17.787 17.123 22.502 186 HG3 GLU 25 HG3 GLU 25 18.937 17.706 21.304 187 H CYS 26 H CYS 26 19.885 19.942 20.730 188 HA CYS 26 HA CYS 26 20.506 18.791 18.073 189 HB2 CYS 26 HB2 CYS 26 20.578 21.216 17.776 190 HB3 CYS 26 HB3 CYS 26 21.734 21.369 19.096 191 H LYS 27 H LYS 27 22.129 17.399 18.019 192 HA LYS 27 HA LYS 27 23.826 16.914 20.421 193 HB2 LYS 27 HB2 LYS 27 22.169 14.863 18.897 194 HB3 LYS 27 HB3 LYS 27 23.279 14.492 20.199 195 HG2 LYS 27 HG2 LYS 27 20.694 16.098 20.429 196 HG3 LYS 27 HG3 LYS 27 20.901 14.412 20.875 197 HD2 LYS 27 HD2 LYS 27 22.360 16.744 22.169 198 HD3 LYS 27 HD3 LYS 27 20.894 15.973 22.796 199 HE2 LYS 27 HE2 LYS 27 22.130 13.790 22.861 200 HE3 LYS 27 HE3 LYS 27 23.598 14.655 22.356 201 HZ1 LYS 27 HZ1 LYS 27 23.469 14.373 24.785 202 HZ2 LYS 27 HZ2 LYS 27 23.462 15.970 24.363 203 HZ3 LYS 27 HZ3 LYS 27 22.058 15.229 24.836 204 H CYS 28 H CYS 28 25.526 15.187 19.845 205 HA CYS 28 HA CYS 28 26.783 16.070 17.306 206 HB2 CYS 28 HB2 CYS 28 27.996 14.447 19.538 207 HB3 CYS 28 HB3 CYS 28 28.824 15.338 18.263 208 H VAL 29 H VAL 29 27.443 14.708 15.676 209 HA VAL 29 HA VAL 29 26.087 12.065 15.639 210 HB VAL 29 HB VAL 29 26.677 12.016 13.216 211 HG11 VAL 29 HG11 VAL 29 24.891 14.231 14.241 212 HG12 VAL 29 HG12 VAL 29 24.830 13.510 12.615 213 HG13 VAL 29 HG13 VAL 29 24.454 12.519 14.030 214 HG21 VAL 29 HG21 VAL 29 28.460 13.699 13.150 215 HG22 VAL 29 HG22 VAL 29 27.125 14.125 12.065 216 HG23 VAL 29 HG23 VAL 29 27.295 14.970 13.609 217 HA PRO 30 HA PRO 30 29.712 9.915 16.453 218 HB2 PRO 30 HB2 PRO 30 29.166 7.397 15.604 219 HB3 PRO 30 HB3 PRO 30 28.250 8.177 16.931 220 HG2 PRO 30 HG2 PRO 30 27.482 8.013 13.991 221 HG3 PRO 30 HG3 PRO 30 26.486 7.569 15.419 222 HD2 PRO 30 HD2 PRO 30 26.263 10.005 14.261 223 HD3 PRO 30 HD3 PRO 30 26.198 9.829 16.040 224 H TYR 31 H TYR 31 29.026 10.473 13.148 225 HA TYR 31 HA TYR 31 30.809 8.789 11.805 226 HB2 TYR 31 HB2 TYR 31 30.155 11.618 10.938 227 HB3 TYR 31 HB3 TYR 31 30.537 10.239 9.915 228 HD1 TYR 31 HD1 TYR 31 28.837 8.082 10.651 229 HD2 TYR 31 HD2 TYR 31 27.950 12.301 10.701 230 HE1 TYR 31 HE1 TYR 31 26.406 7.581 10.576 231 HE2 TYR 31 HE2 TYR 31 25.522 11.793 10.684 232 HH TYR 31 HH TYR 31 23.933 10.165 10.769 Start of MODEL 5 1 H1 ALA 1 H1 ALA 1 12.535 30.046 21.116 2 H2 ALA 1 H2 ALA 1 11.620 30.317 19.766 3 H3 ALA 1 H3 ALA 1 12.223 31.594 20.626 4 HA ALA 1 HA ALA 1 13.405 31.191 18.561 5 HB1 ALA 1 HB1 ALA 1 15.681 31.261 19.532 6 HB2 ALA 1 HB2 ALA 1 14.570 32.331 20.400 7 HB3 ALA 1 HB3 ALA 1 15.030 30.769 21.111 8 H PHE 2 H PHE 2 13.999 29.676 17.112 9 HA PHE 2 HA PHE 2 14.034 26.841 17.831 10 HB2 PHE 2 HB2 PHE 2 14.487 28.257 15.185 11 HB3 PHE 2 HB3 PHE 2 14.201 26.530 15.417 12 HD1 PHE 2 HD1 PHE 2 11.930 26.076 16.934 13 HD2 PHE 2 HD2 PHE 2 12.664 29.460 14.356 14 HE1 PHE 2 HE1 PHE 2 9.491 26.476 16.763 15 HE2 PHE 2 HE2 PHE 2 10.218 29.838 14.161 16 HZ PHE 2 HZ PHE 2 8.632 28.348 15.361 17 H CYS 3 H CYS 3 15.805 25.523 17.237 18 HA CYS 3 HA CYS 3 18.100 26.282 18.640 19 HB2 CYS 3 HB2 CYS 3 17.222 24.005 18.489 20 HB3 CYS 3 HB3 CYS 3 17.697 23.917 16.796 21 H ASN 4 H ASN 4 19.813 27.361 18.130 22 HA ASN 4 HA ASN 4 20.720 27.914 15.403 23 HB2 ASN 4 HB2 ASN 4 21.132 29.440 17.394 24 HB3 ASN 4 HB3 ASN 4 22.313 28.271 17.968 25 HD21 ASN 4 HD21 ASN 4 23.169 30.659 14.776 26 HD22 ASN 4 HD22 ASN 4 21.674 30.841 15.688 27 H LEU 5 H LEU 5 21.646 26.526 14.078 28 HA LEU 5 HA LEU 5 22.775 24.028 14.933 29 HB2 LEU 5 HB2 LEU 5 21.636 24.312 12.792 30 HB3 LEU 5 HB3 LEU 5 22.831 25.503 12.275 31 HG LEU 5 HG LEU 5 24.599 23.767 12.283 32 HD11 LEU 5 HD11 LEU 5 23.953 21.376 12.417 33 HD12 LEU 5 HD12 LEU 5 23.738 22.191 13.967 34 HD13 LEU 5 HD13 LEU 5 22.318 21.848 12.940 35 HD21 LEU 5 HD21 LEU 5 23.785 22.540 10.315 36 HD22 LEU 5 HD22 LEU 5 22.113 23.034 10.690 37 HD23 LEU 5 HD23 LEU 5 23.325 24.247 10.247 38 H ARG 6 H ARG 6 24.331 27.120 13.898 39 HA ARG 6 HA ARG 6 27.030 26.115 13.874 40 HB2 ARG 6 HB2 ARG 6 25.808 28.872 14.235 41 HB3 ARG 6 HB3 ARG 6 27.535 28.649 14.429 42 HG2 ARG 6 HG2 ARG 6 26.258 27.573 11.913 43 HG3 ARG 6 HG3 ARG 6 26.445 29.316 12.095 44 HD2 ARG 6 HD2 ARG 6 28.354 28.419 10.902 45 HD3 ARG 6 HD3 ARG 6 28.847 29.102 12.446 46 HE ARG 6 HE ARG 6 28.485 26.147 11.966 47 HH11 ARG 6 HH11 ARG 6 30.563 28.657 13.421 48 HH12 ARG 6 HH12 ARG 6 31.712 27.418 13.880 49 HH21 ARG 6 HH21 ARG 6 29.824 24.816 12.711 50 HH22 ARG 6 HH22 ARG 6 31.194 25.269 13.734 51 H ARG 7 H ARG 7 25.178 27.569 16.599 52 HA ARG 7 HA ARG 7 27.346 27.219 18.484 53 HB2 ARG 7 HB2 ARG 7 24.351 27.494 18.901 54 HB3 ARG 7 HB3 ARG 7 25.546 27.465 20.199 55 HG2 ARG 7 HG2 ARG 7 26.735 29.401 18.902 56 HG3 ARG 7 HG3 ARG 7 25.217 29.544 18.006 57 HD2 ARG 7 HD2 ARG 7 24.050 29.732 20.270 58 HD3 ARG 7 HD3 ARG 7 25.664 29.848 20.989 59 HE ARG 7 HE ARG 7 25.476 31.786 18.904 60 HH11 ARG 7 HH11 ARG 7 24.398 31.316 22.199 61 HH12 ARG 7 HH12 ARG 7 24.051 33.010 22.432 62 HH21 ARG 7 HH21 ARG 7 24.811 33.848 19.146 63 HH22 ARG 7 HH22 ARG 7 24.302 34.429 20.716 64 H CYS 8 H CYS 8 24.813 24.977 17.478 65 HA CYS 8 HA CYS 8 25.503 22.899 19.371 66 HB2 CYS 8 HB2 CYS 8 23.367 22.877 18.278 67 HB3 CYS 8 HB3 CYS 8 24.106 22.862 16.683 68 H GLU 9 H GLU 9 26.661 23.550 15.995 69 HA GLU 9 HA GLU 9 28.475 21.348 15.853 70 HB2 GLU 9 HB2 GLU 9 28.526 24.090 14.580 71 HB3 GLU 9 HB3 GLU 9 29.724 22.850 14.229 72 HG2 GLU 9 HG2 GLU 9 27.917 21.321 13.499 73 HG3 GLU 9 HG3 GLU 9 26.703 22.602 13.756 74 H LEU 10 H LEU 10 29.045 24.638 17.190 75 HA LEU 10 HA LEU 10 31.751 24.190 18.015 76 HB2 LEU 10 HB2 LEU 10 29.586 26.042 19.088 77 HB3 LEU 10 HB3 LEU 10 31.273 26.139 19.585 78 HG LEU 10 HG LEU 10 30.465 26.245 16.680 79 HD11 LEU 10 HD11 LEU 10 30.552 28.701 16.789 80 HD12 LEU 10 HD12 LEU 10 29.259 28.073 17.801 81 HD13 LEU 10 HD13 LEU 10 30.777 28.630 18.551 82 HD21 LEU 10 HD21 LEU 10 32.894 25.910 17.188 83 HD22 LEU 10 HD22 LEU 10 32.612 27.491 16.450 84 HD23 LEU 10 HD23 LEU 10 32.881 27.373 18.196 85 H SER 11 H SER 11 28.746 23.322 19.520 86 HA SER 11 HA SER 11 29.866 22.552 22.112 87 HB2 SER 11 HB2 SER 11 27.423 22.970 21.707 88 HB3 SER 11 HB3 SER 11 27.356 21.406 20.850 89 HG SER 11 HG SER 11 26.846 21.029 23.003 90 H CYS 12 H CYS 12 29.378 20.807 19.053 91 HA CYS 12 HA CYS 12 30.351 18.263 20.176 92 HB2 CYS 12 HB2 CYS 12 29.631 19.043 17.334 93 HB3 CYS 12 HB3 CYS 12 30.066 17.423 17.899 94 H ARG 13 H ARG 13 31.691 20.944 18.296 95 HA ARG 13 HA ARG 13 34.196 19.909 17.490 96 HB2 ARG 13 HB2 ARG 13 33.433 22.113 16.905 97 HB3 ARG 13 HB3 ARG 13 33.319 22.616 18.578 98 HG2 ARG 13 HG2 ARG 13 35.960 21.927 17.236 99 HG3 ARG 13 HG3 ARG 13 35.233 23.520 17.185 100 HD2 ARG 13 HD2 ARG 13 36.311 22.101 19.648 101 HD3 ARG 13 HD3 ARG 13 36.935 23.533 18.879 102 HE ARG 13 HE ARG 13 34.766 23.380 20.813 103 HH11 ARG 13 HH11 ARG 13 36.083 25.438 18.258 104 HH12 ARG 13 HH12 ARG 13 35.278 26.854 18.898 105 HH21 ARG 13 HH21 ARG 13 33.710 25.243 21.487 106 HH22 ARG 13 HH22 ARG 13 34.051 26.747 20.663 107 H SER 14 H SER 14 33.129 20.908 20.743 108 HA SER 14 HA SER 14 35.772 20.437 21.858 109 HB2 SER 14 HB2 SER 14 33.147 20.967 23.276 110 HB3 SER 14 HB3 SER 14 34.761 20.975 24.028 111 HG SER 14 HG SER 14 34.256 23.050 23.441 112 H LEU 15 H LEU 15 33.659 18.204 20.842 113 HA LEU 15 HA LEU 15 34.846 16.092 22.587 114 HB2 LEU 15 HB2 LEU 15 32.286 16.080 20.939 115 HB3 LEU 15 HB3 LEU 15 32.951 14.664 21.759 116 HG LEU 15 HG LEU 15 32.039 17.195 23.198 117 HD11 LEU 15 HD11 LEU 15 30.155 16.072 22.093 118 HD12 LEU 15 HD12 LEU 15 30.632 14.527 22.828 119 HD13 LEU 15 HD13 LEU 15 30.074 15.867 23.848 120 HD21 LEU 15 HD21 LEU 15 33.697 15.886 24.489 121 HD22 LEU 15 HD22 LEU 15 32.088 15.758 25.205 122 HD23 LEU 15 HD23 LEU 15 32.733 14.416 24.238 123 H GLY 16 H GLY 16 35.377 17.705 19.805 124 HA2 GLY 16 HA2 GLY 16 36.749 17.326 18.036 125 HA3 GLY 16 HA3 GLY 16 36.891 15.623 18.476 126 H LEU 17 H LEU 17 33.668 16.943 18.021 127 HA LEU 17 HA LEU 17 33.390 15.291 15.535 128 HB2 LEU 17 HB2 LEU 17 31.072 15.688 17.373 129 HB3 LEU 17 HB3 LEU 17 31.421 14.342 16.300 130 HG LEU 17 HG LEU 17 32.736 14.966 18.903 131 HD11 LEU 17 HD11 LEU 17 30.576 12.962 18.265 132 HD12 LEU 17 HD12 LEU 17 31.550 12.908 19.751 133 HD13 LEU 17 HD13 LEU 17 30.551 14.319 19.433 134 HD21 LEU 17 HD21 LEU 17 32.902 12.417 17.212 135 HD22 LEU 17 HD22 LEU 17 34.220 13.578 17.394 136 HD23 LEU 17 HD23 LEU 17 33.681 12.644 18.791 137 H LEU 18 H LEU 18 31.196 15.623 14.604 138 HA LEU 18 HA LEU 18 30.623 18.498 13.976 139 HB2 LEU 18 HB2 LEU 18 29.995 15.898 12.564 140 HB3 LEU 18 HB3 LEU 18 29.082 17.347 12.231 141 HG LEU 18 HG LEU 18 30.712 17.038 10.543 142 HD11 LEU 18 HD11 LEU 18 31.804 19.176 10.490 143 HD12 LEU 18 HD12 LEU 18 30.212 19.373 11.240 144 HD13 LEU 18 HD13 LEU 18 31.683 19.358 12.245 145 HD21 LEU 18 HD21 LEU 18 33.102 17.045 10.855 146 HD22 LEU 18 HD22 LEU 18 32.939 17.291 12.602 147 HD23 LEU 18 HD23 LEU 18 32.407 15.762 11.866 148 H GLY 19 H GLY 19 28.368 19.111 13.832 149 HA2 GLY 19 HA2 GLY 19 26.658 17.798 15.927 150 HA3 GLY 19 HA3 GLY 19 26.938 19.530 15.925 151 H GLU 20 H GLU 20 24.500 17.859 15.696 152 HA GLU 20 HA GLU 20 23.207 19.399 13.513 153 HB2 GLU 20 HB2 GLU 20 23.709 17.196 12.586 154 HB3 GLU 20 HB3 GLU 20 23.040 16.401 14.005 155 HG2 GLU 20 HG2 GLU 20 21.518 16.223 12.152 156 HG3 GLU 20 HG3 GLU 20 20.784 17.187 13.426 157 H CYS 21 H CYS 21 21.049 20.006 13.995 158 HA CYS 21 HA CYS 21 20.180 19.410 16.800 159 HB2 CYS 21 HB2 CYS 21 21.246 21.700 16.435 160 HB3 CYS 21 HB3 CYS 21 19.752 22.115 15.580 161 H ILE 22 H ILE 22 18.447 18.269 16.804 162 HA ILE 22 HA ILE 22 16.151 18.855 14.986 163 HB ILE 22 HB ILE 22 17.508 16.171 15.412 164 HG12 ILE 22 HG12 ILE 22 16.795 17.769 12.895 165 HG13 ILE 22 HG13 ILE 22 18.401 17.623 13.607 166 HG21 ILE 22 HG21 ILE 22 14.768 16.670 14.146 167 HG22 ILE 22 HG22 ILE 22 15.645 15.126 14.153 168 HG23 ILE 22 HG23 ILE 22 15.084 15.785 15.663 169 HD11 ILE 22 HD11 ILE 22 16.827 15.426 12.274 170 HD12 ILE 22 HD12 ILE 22 18.369 16.143 11.777 171 HD13 ILE 22 HD13 ILE 22 18.296 15.146 13.248 172 H GLY 23 H GLY 23 14.118 18.402 15.868 173 HA2 GLY 23 HA2 GLY 23 12.596 18.489 17.598 174 HA3 GLY 23 HA3 GLY 23 13.659 17.421 18.535 175 H GLU 24 H GLU 24 14.683 20.572 17.329 176 HA GLU 24 HA GLU 24 15.860 22.189 18.317 177 HB2 GLU 24 HB2 GLU 24 13.537 22.151 20.270 178 HB3 GLU 24 HB3 GLU 24 14.759 23.406 20.168 179 HG2 GLU 24 HG2 GLU 24 13.089 24.307 18.878 180 HG3 GLU 24 HG3 GLU 24 14.188 23.647 17.679 181 H GLU 25 H GLU 25 16.652 19.472 19.115 182 HA GLU 25 HA GLU 25 18.328 20.184 21.480 183 HB2 GLU 25 HB2 GLU 25 17.002 17.537 20.812 184 HB3 GLU 25 HB3 GLU 25 18.294 17.702 21.988 185 HG2 GLU 25 HG2 GLU 25 15.620 19.163 22.147 186 HG3 GLU 25 HG3 GLU 25 15.989 17.650 22.978 187 H CYS 26 H CYS 26 20.439 19.845 21.355 188 HA CYS 26 HA CYS 26 21.587 19.384 18.701 189 HB2 CYS 26 HB2 CYS 26 22.309 21.267 20.086 190 HB3 CYS 26 HB3 CYS 26 22.770 20.159 21.383 191 H LYS 27 H LYS 27 22.659 17.618 18.028 192 HA LYS 27 HA LYS 27 23.689 15.603 19.977 193 HB2 LYS 27 HB2 LYS 27 22.092 14.873 17.494 194 HB3 LYS 27 HB3 LYS 27 22.801 13.754 18.648 195 HG2 LYS 27 HG2 LYS 27 20.545 15.687 19.320 196 HG3 LYS 27 HG3 LYS 27 20.317 14.017 18.824 197 HD2 LYS 27 HD2 LYS 27 21.260 13.149 20.815 198 HD3 LYS 27 HD3 LYS 27 22.058 14.661 21.223 199 HE2 LYS 27 HE2 LYS 27 20.122 14.309 22.662 200 HE3 LYS 27 HE3 LYS 27 19.946 15.768 21.690 201 HZ1 LYS 27 HZ1 LYS 27 18.693 13.171 20.981 202 HZ2 LYS 27 HZ2 LYS 27 17.945 14.366 21.847 203 HZ3 LYS 27 HZ3 LYS 27 18.376 14.623 20.281 204 H CYS 28 H CYS 28 25.583 14.658 19.396 205 HA CYS 28 HA CYS 28 26.932 15.800 17.015 206 HB2 CYS 28 HB2 CYS 28 28.081 14.100 19.237 207 HB3 CYS 28 HB3 CYS 28 28.950 15.098 18.056 208 H VAL 29 H VAL 29 27.592 14.691 15.257 209 HA VAL 29 HA VAL 29 26.271 12.079 14.891 210 HB VAL 29 HB VAL 29 26.772 12.427 12.475 211 HG11 VAL 29 HG11 VAL 29 25.266 14.684 13.853 212 HG12 VAL 29 HG12 VAL 29 25.072 14.153 12.169 213 HG13 VAL 29 HG13 VAL 29 24.618 13.067 13.494 214 HG21 VAL 29 HG21 VAL 29 27.456 14.607 11.662 215 HG22 VAL 29 HG22 VAL 29 27.672 15.203 13.313 216 HG23 VAL 29 HG23 VAL 29 28.739 13.923 12.676 217 HA PRO 30 HA PRO 30 29.897 9.594 14.996 218 HB2 PRO 30 HB2 PRO 30 29.233 7.419 13.543 219 HB3 PRO 30 HB3 PRO 30 28.414 7.832 15.082 220 HG2 PRO 30 HG2 PRO 30 27.494 8.457 12.255 221 HG3 PRO 30 HG3 PRO 30 26.552 7.697 13.578 222 HD2 PRO 30 HD2 PRO 30 26.381 10.350 13.052 223 HD3 PRO 30 HD3 PRO 30 26.343 9.740 14.731 224 H TYR 31 H TYR 31 29.138 11.140 12.162 225 HA TYR 31 HA TYR 31 30.904 9.956 10.268 226 HB2 TYR 31 HB2 TYR 31 29.700 12.739 10.277 227 HB3 TYR 31 HB3 TYR 31 30.210 11.833 8.865 228 HD1 TYR 31 HD1 TYR 31 27.428 13.134 9.651 229 HD2 TYR 31 HD2 TYR 31 28.935 9.089 9.674 230 HE1 TYR 31 HE1 TYR 31 25.104 12.260 9.552 231 HE2 TYR 31 HE2 TYR 31 26.614 8.225 9.566 232 HH TYR 31 HH TYR 31 23.781 10.417 9.415 Start of MODEL 6 1 H1 ALA 1 H1 ALA 1 11.977 23.558 22.143 2 H2 ALA 1 H2 ALA 1 10.791 23.745 21.032 3 H3 ALA 1 H3 ALA 1 10.536 24.214 22.599 4 HA ALA 1 HA ALA 1 10.920 26.069 21.053 5 HB1 ALA 1 HB1 ALA 1 12.547 27.251 22.478 6 HB2 ALA 1 HB2 ALA 1 11.378 26.354 23.465 7 HB3 ALA 1 HB3 ALA 1 13.021 25.715 23.235 8 H PHE 2 H PHE 2 12.297 27.088 19.524 9 HA PHE 2 HA PHE 2 13.659 25.460 17.776 10 HB2 PHE 2 HB2 PHE 2 13.471 28.423 18.231 11 HB3 PHE 2 HB3 PHE 2 14.704 27.826 17.141 12 HD1 PHE 2 HD1 PHE 2 10.976 27.457 17.720 13 HD2 PHE 2 HD2 PHE 2 14.236 27.414 14.917 14 HE1 PHE 2 HE1 PHE 2 9.366 27.334 15.851 15 HE2 PHE 2 HE2 PHE 2 12.623 27.280 13.042 16 HZ PHE 2 HZ PHE 2 10.176 27.258 13.499 17 H CYS 3 H CYS 3 15.680 25.043 17.286 18 HA CYS 3 HA CYS 3 17.650 24.976 19.448 19 HB2 CYS 3 HB2 CYS 3 18.643 23.207 18.192 20 HB3 CYS 3 HB3 CYS 3 16.902 22.953 18.216 21 H ASN 4 H ASN 4 19.841 25.231 19.007 22 HA ASN 4 HA ASN 4 20.534 27.599 17.278 23 HB2 ASN 4 HB2 ASN 4 21.507 26.772 20.053 24 HB3 ASN 4 HB3 ASN 4 22.202 28.077 19.097 25 HD21 ASN 4 HD21 ASN 4 18.776 28.828 21.091 26 HD22 ASN 4 HD22 ASN 4 19.441 27.207 21.127 27 H LEU 5 H LEU 5 20.870 25.685 15.652 28 HA LEU 5 HA LEU 5 22.757 23.686 15.996 29 HB2 LEU 5 HB2 LEU 5 21.099 23.738 14.269 30 HB3 LEU 5 HB3 LEU 5 21.856 25.094 13.455 31 HG LEU 5 HG LEU 5 23.412 22.536 13.851 32 HD11 LEU 5 HD11 LEU 5 21.347 23.090 11.687 33 HD12 LEU 5 HD12 LEU 5 22.514 21.757 11.671 34 HD13 LEU 5 HD13 LEU 5 21.280 21.815 12.922 35 HD21 LEU 5 HD21 LEU 5 24.366 23.192 11.615 36 HD22 LEU 5 HD22 LEU 5 23.380 24.659 11.639 37 HD23 LEU 5 HD23 LEU 5 24.676 24.421 12.828 38 H ARG 6 H ARG 6 23.440 26.961 14.684 39 HA ARG 6 HA ARG 6 26.161 26.588 14.034 40 HB2 ARG 6 HB2 ARG 6 24.496 28.605 13.673 41 HB3 ARG 6 HB3 ARG 6 25.023 29.126 15.259 42 HG2 ARG 6 HG2 ARG 6 26.335 30.379 13.856 43 HG3 ARG 6 HG3 ARG 6 27.438 29.083 14.263 44 HD2 ARG 6 HD2 ARG 6 25.699 29.124 11.742 45 HD3 ARG 6 HD3 ARG 6 27.319 29.822 11.811 46 HE ARG 6 HE ARG 6 28.064 27.498 12.600 47 HH11 ARG 6 HH11 ARG 6 25.575 27.872 10.056 48 HH12 ARG 6 HH12 ARG 6 25.934 26.243 9.505 49 HH21 ARG 6 HH21 ARG 6 28.407 25.529 11.638 50 HH22 ARG 6 HH22 ARG 6 27.357 25.046 10.311 51 H ARG 7 H ARG 7 24.754 27.449 17.195 52 HA ARG 7 HA ARG 7 27.338 27.514 18.598 53 HB2 ARG 7 HB2 ARG 7 24.457 27.379 19.614 54 HB3 ARG 7 HB3 ARG 7 25.880 27.519 20.642 55 HG2 ARG 7 HG2 ARG 7 26.493 29.657 19.540 56 HG3 ARG 7 HG3 ARG 7 25.012 29.572 18.568 57 HD2 ARG 7 HD2 ARG 7 23.621 29.614 20.582 58 HD3 ARG 7 HD3 ARG 7 25.043 29.559 21.612 59 HE ARG 7 HE ARG 7 24.005 31.882 20.096 60 HH11 ARG 7 HH11 ARG 7 26.649 30.816 22.165 61 HH12 ARG 7 HH12 ARG 7 26.967 32.437 22.715 62 HH21 ARG 7 HH21 ARG 7 24.413 33.792 20.789 63 HH22 ARG 7 HH22 ARG 7 25.722 34.151 21.907 64 H CYS 8 H CYS 8 24.775 25.106 18.166 65 HA CYS 8 HA CYS 8 25.688 23.113 19.944 66 HB2 CYS 8 HB2 CYS 8 24.267 22.857 17.270 67 HB3 CYS 8 HB3 CYS 8 24.427 21.563 18.435 68 H GLU 9 H GLU 9 26.656 23.627 16.497 69 HA GLU 9 HA GLU 9 28.395 21.349 16.246 70 HB2 GLU 9 HB2 GLU 9 28.193 24.058 14.934 71 HB3 GLU 9 HB3 GLU 9 29.610 23.075 14.637 72 HG2 GLU 9 HG2 GLU 9 26.945 21.713 14.306 73 HG3 GLU 9 HG3 GLU 9 27.388 22.949 13.123 74 H LEU 10 H LEU 10 29.202 24.689 17.391 75 HA LEU 10 HA LEU 10 31.955 24.293 17.703 76 HB2 LEU 10 HB2 LEU 10 30.139 25.972 19.483 77 HB3 LEU 10 HB3 LEU 10 31.880 26.175 19.305 78 HG LEU 10 HG LEU 10 29.822 26.574 17.123 79 HD11 LEU 10 HD11 LEU 10 30.333 28.972 17.370 80 HD12 LEU 10 HD12 LEU 10 29.711 28.294 18.884 81 HD13 LEU 10 HD13 LEU 10 31.451 28.598 18.711 82 HD21 LEU 10 HD21 LEU 10 31.976 25.923 16.132 83 HD22 LEU 10 HD22 LEU 10 31.686 27.635 15.849 84 HD23 LEU 10 HD23 LEU 10 32.823 27.128 17.123 85 H SER 11 H SER 11 29.384 23.431 19.945 86 HA SER 11 HA SER 11 31.083 22.608 22.160 87 HB2 SER 11 HB2 SER 11 28.665 23.030 22.423 88 HB3 SER 11 HB3 SER 11 28.298 21.634 21.443 89 HG SER 11 HG SER 11 28.293 20.782 23.407 90 H CYS 12 H CYS 12 29.655 20.738 19.411 91 HA CYS 12 HA CYS 12 30.755 18.209 20.295 92 HB2 CYS 12 HB2 CYS 12 29.731 19.046 17.555 93 HB3 CYS 12 HB3 CYS 12 30.014 17.386 18.137 94 H ARG 13 H ARG 13 31.782 20.620 17.833 95 HA ARG 13 HA ARG 13 33.988 19.253 16.702 96 HB2 ARG 13 HB2 ARG 13 33.432 22.204 17.278 97 HB3 ARG 13 HB3 ARG 13 34.680 21.613 16.207 98 HG2 ARG 13 HG2 ARG 13 31.915 20.679 15.618 99 HG3 ARG 13 HG3 ARG 13 32.267 22.400 15.376 100 HD2 ARG 13 HD2 ARG 13 34.070 21.885 13.844 101 HD3 ARG 13 HD3 ARG 13 33.885 20.138 14.151 102 HE ARG 13 HE ARG 13 31.380 20.776 13.474 103 HH11 ARG 13 HH11 ARG 13 34.254 21.878 11.695 104 HH12 ARG 13 HH12 ARG 13 33.297 21.992 10.212 105 HH21 ARG 13 HH21 ARG 13 30.393 20.911 11.519 106 HH22 ARG 13 HH22 ARG 13 31.329 21.457 10.120 107 H SER 14 H SER 14 33.670 21.005 19.754 108 HA SER 14 HA SER 14 36.487 20.866 20.460 109 HB2 SER 14 HB2 SER 14 34.138 21.156 22.361 110 HB3 SER 14 HB3 SER 14 35.803 21.664 22.641 111 HG SER 14 HG SER 14 33.937 22.793 20.790 112 H LEU 15 H LEU 15 33.988 18.519 20.571 113 HA LEU 15 HA LEU 15 35.479 16.752 22.451 114 HB2 LEU 15 HB2 LEU 15 32.785 16.391 21.080 115 HB3 LEU 15 HB3 LEU 15 33.505 15.273 22.227 116 HG LEU 15 HG LEU 15 32.638 18.121 22.881 117 HD11 LEU 15 HD11 LEU 15 30.739 16.658 22.323 118 HD12 LEU 15 HD12 LEU 15 31.318 15.448 23.494 119 HD13 LEU 15 HD13 LEU 15 30.766 17.045 24.049 120 HD21 LEU 15 HD21 LEU 15 32.849 17.367 25.238 121 HD22 LEU 15 HD22 LEU 15 33.545 15.830 24.679 122 HD23 LEU 15 HD23 LEU 15 34.401 17.368 24.402 123 H GLY 16 H GLY 16 35.701 17.601 19.256 124 HA2 GLY 16 HA2 GLY 16 36.869 16.608 17.524 125 HA3 GLY 16 HA3 GLY 16 36.947 15.089 18.415 126 H LEU 17 H LEU 17 33.813 16.628 17.932 127 HA LEU 17 HA LEU 17 33.082 14.481 15.945 128 HB2 LEU 17 HB2 LEU 17 30.992 15.615 17.747 129 HB3 LEU 17 HB3 LEU 17 31.061 14.042 16.989 130 HG LEU 17 HG LEU 17 32.655 14.990 19.331 131 HD11 LEU 17 HD11 LEU 17 30.445 14.887 20.072 132 HD12 LEU 17 HD12 LEU 17 30.174 13.284 19.314 133 HD13 LEU 17 HD13 LEU 17 31.256 13.468 20.713 134 HD21 LEU 17 HD21 LEU 17 33.759 13.077 18.123 135 HD22 LEU 17 HD22 LEU 17 33.139 12.546 19.696 136 HD23 LEU 17 HD23 LEU 17 32.246 12.158 18.213 137 H LEU 18 H LEU 18 30.783 15.032 15.166 138 HA LEU 18 HA LEU 18 30.660 17.822 14.060 139 HB2 LEU 18 HB2 LEU 18 29.666 15.161 13.062 140 HB3 LEU 18 HB3 LEU 18 28.855 16.643 12.556 141 HG LEU 18 HG LEU 18 31.862 16.304 12.278 142 HD11 LEU 18 HD11 LEU 18 29.686 15.665 10.253 143 HD12 LEU 18 HD12 LEU 18 31.440 15.670 9.930 144 HD13 LEU 18 HD13 LEU 18 30.750 14.486 11.056 145 HD21 LEU 18 HD21 LEU 18 31.612 18.027 10.541 146 HD22 LEU 18 HD22 LEU 18 29.859 18.080 10.816 147 HD23 LEU 18 HD23 LEU 18 30.981 18.614 12.083 148 H GLY 19 H GLY 19 28.748 18.950 14.250 149 HA2 GLY 19 HA2 GLY 19 26.778 17.995 16.315 150 HA3 GLY 19 HA3 GLY 19 27.083 19.673 15.909 151 H GLU 20 H GLU 20 24.549 18.240 16.000 152 HA GLU 20 HA GLU 20 23.426 19.155 13.440 153 HB2 GLU 20 HB2 GLU 20 23.955 16.906 12.826 154 HB3 GLU 20 HB3 GLU 20 23.467 16.287 14.393 155 HG2 GLU 20 HG2 GLU 20 21.897 15.592 12.803 156 HG3 GLU 20 HG3 GLU 20 21.091 16.714 13.873 157 H CYS 21 H CYS 21 21.232 19.604 13.579 158 HA CYS 21 HA CYS 21 19.940 19.458 16.274 159 HB2 CYS 21 HB2 CYS 21 20.135 21.758 15.615 160 HB3 CYS 21 HB3 CYS 21 19.432 21.409 14.024 161 H ILE 22 H ILE 22 18.348 18.071 16.480 162 HA ILE 22 HA ILE 22 17.526 16.390 14.238 163 HB ILE 22 HB ILE 22 16.801 16.440 17.196 164 HG12 ILE 22 HG12 ILE 22 18.073 14.081 16.837 165 HG13 ILE 22 HG13 ILE 22 18.831 14.945 15.511 166 HG21 ILE 22 HG21 ILE 22 14.917 15.437 15.980 167 HG22 ILE 22 HG22 ILE 22 16.036 14.361 15.108 168 HG23 ILE 22 HG23 ILE 22 15.816 14.217 16.870 169 HD11 ILE 22 HD11 ILE 22 20.136 15.014 17.603 170 HD12 ILE 22 HD12 ILE 22 19.657 16.648 17.150 171 HD13 ILE 22 HD13 ILE 22 18.775 15.796 18.441 172 H GLY 23 H GLY 23 16.144 19.070 16.019 173 HA2 GLY 23 HA2 GLY 23 14.497 19.951 13.935 174 HA3 GLY 23 HA3 GLY 23 13.463 18.989 15.001 175 H GLU 24 H GLU 24 14.204 19.492 17.441 176 HA GLU 24 HA GLU 24 14.440 22.430 17.943 177 HB2 GLU 24 HB2 GLU 24 12.266 20.620 19.066 178 HB3 GLU 24 HB3 GLU 24 12.652 22.238 19.680 179 HG2 GLU 24 HG2 GLU 24 12.187 23.115 17.336 180 HG3 GLU 24 HG3 GLU 24 11.508 21.535 16.960 181 H GLU 25 H GLU 25 15.819 19.537 18.489 182 HA GLU 25 HA GLU 25 17.357 20.615 20.785 183 HB2 GLU 25 HB2 GLU 25 16.023 17.916 20.572 184 HB3 GLU 25 HB3 GLU 25 17.613 17.983 21.305 185 HG2 GLU 25 HG2 GLU 25 15.336 19.777 22.235 186 HG3 GLU 25 HG3 GLU 25 15.565 18.147 22.852 187 H CYS 26 H CYS 26 19.572 19.994 20.728 188 HA CYS 26 HA CYS 26 20.466 18.731 18.178 189 HB2 CYS 26 HB2 CYS 26 22.252 20.290 18.015 190 HB3 CYS 26 HB3 CYS 26 20.745 21.188 18.173 191 H LYS 27 H LYS 27 22.283 17.535 18.164 192 HA LYS 27 HA LYS 27 23.569 16.688 20.731 193 HB2 LYS 27 HB2 LYS 27 22.438 14.836 18.585 194 HB3 LYS 27 HB3 LYS 27 23.348 14.321 20.005 195 HG2 LYS 27 HG2 LYS 27 21.584 15.127 21.505 196 HG3 LYS 27 HG3 LYS 27 20.650 15.719 20.120 197 HD2 LYS 27 HD2 LYS 27 20.615 13.379 19.201 198 HD3 LYS 27 HD3 LYS 27 21.336 12.824 20.729 199 HE2 LYS 27 HE2 LYS 27 19.427 13.837 21.978 200 HE3 LYS 27 HE3 LYS 27 18.739 14.409 20.460 201 HZ1 LYS 27 HZ1 LYS 27 17.673 12.360 21.120 202 HZ2 LYS 27 HZ2 LYS 27 18.544 12.058 19.771 203 HZ3 LYS 27 HZ3 LYS 27 19.115 11.566 21.203 204 H CYS 28 H CYS 28 25.269 14.831 19.782 205 HA CYS 28 HA CYS 28 26.780 16.076 17.519 206 HB2 CYS 28 HB2 CYS 28 27.941 14.405 19.754 207 HB3 CYS 28 HB3 CYS 28 28.812 15.297 18.519 208 H VAL 29 H VAL 29 27.767 14.552 16.044 209 HA VAL 29 HA VAL 29 26.404 11.896 16.003 210 HB VAL 29 HB VAL 29 26.144 12.139 13.560 211 HG11 VAL 29 HG11 VAL 29 24.750 14.319 15.168 212 HG12 VAL 29 HG12 VAL 29 24.190 13.577 13.651 213 HG13 VAL 29 HG13 VAL 29 24.287 12.600 15.125 214 HG21 VAL 29 HG21 VAL 29 26.210 14.390 12.540 215 HG22 VAL 29 HG22 VAL 29 26.945 15.049 14.007 216 HG23 VAL 29 HG23 VAL 29 27.815 13.833 13.033 217 HA PRO 30 HA PRO 30 30.326 10.068 15.310 218 HB2 PRO 30 HB2 PRO 30 29.648 7.633 14.310 219 HB3 PRO 30 HB3 PRO 30 29.211 8.130 15.979 220 HG2 PRO 30 HG2 PRO 30 27.507 8.231 13.463 221 HG3 PRO 30 HG3 PRO 30 27.071 7.548 15.056 222 HD2 PRO 30 HD2 PRO 30 26.352 10.057 14.322 223 HD3 PRO 30 HD3 PRO 30 26.791 9.678 16.005 224 H TYR 31 H TYR 31 28.590 11.150 12.728 225 HA TYR 31 HA TYR 31 29.676 9.901 10.464 226 HB2 TYR 31 HB2 TYR 31 28.664 12.748 10.583 227 HB3 TYR 31 HB3 TYR 31 28.632 11.624 9.204 228 HD1 TYR 31 HD1 TYR 31 27.485 9.207 10.992 229 HD2 TYR 31 HD2 TYR 31 26.343 13.300 10.323 230 HE1 TYR 31 HE1 TYR 31 25.146 8.669 11.607 231 HE2 TYR 31 HE2 TYR 31 23.982 12.732 10.874 232 HH TYR 31 HH TYR 31 22.538 11.098 11.623 Start of MODEL 7 1 H1 ALA 1 H1 ALA 1 10.361 25.012 12.189 2 H2 ALA 1 H2 ALA 1 10.213 26.558 11.643 3 H3 ALA 1 H3 ALA 1 10.496 26.262 13.242 4 HA ALA 1 HA ALA 1 12.319 25.681 11.011 5 HB1 ALA 1 HB1 ALA 1 12.150 28.115 11.472 6 HB2 ALA 1 HB2 ALA 1 12.531 27.815 13.181 7 HB3 ALA 1 HB3 ALA 1 13.740 27.488 11.922 8 H PHE 2 H PHE 2 14.557 25.148 11.737 9 HA PHE 2 HA PHE 2 14.628 23.307 14.013 10 HB2 PHE 2 HB2 PHE 2 16.477 23.924 11.703 11 HB3 PHE 2 HB3 PHE 2 17.026 23.031 13.106 12 HD1 PHE 2 HD1 PHE 2 16.778 20.707 13.181 13 HD2 PHE 2 HD2 PHE 2 14.256 22.987 10.527 14 HE1 PHE 2 HE1 PHE 2 15.831 18.610 12.272 15 HE2 PHE 2 HE2 PHE 2 13.300 20.890 9.646 16 HZ PHE 2 HZ PHE 2 14.084 18.692 10.504 17 H CYS 3 H CYS 3 16.067 23.547 15.671 18 HA CYS 3 HA CYS 3 16.523 25.954 16.930 19 HB2 CYS 3 HB2 CYS 3 17.597 24.621 18.564 20 HB3 CYS 3 HB3 CYS 3 16.317 23.662 17.882 21 H ASN 4 H ASN 4 18.618 26.573 17.869 22 HA ASN 4 HA ASN 4 20.185 27.858 15.816 23 HB2 ASN 4 HB2 ASN 4 20.522 27.878 18.843 24 HB3 ASN 4 HB3 ASN 4 21.401 28.901 17.720 25 HD21 ASN 4 HD21 ASN 4 17.692 29.993 18.791 26 HD22 ASN 4 HD22 ASN 4 18.241 28.357 19.194 27 H LEU 5 H LEU 5 20.852 25.564 14.988 28 HA LEU 5 HA LEU 5 22.692 23.876 16.130 29 HB2 LEU 5 HB2 LEU 5 21.393 23.529 14.120 30 HB3 LEU 5 HB3 LEU 5 22.320 24.735 13.241 31 HG LEU 5 HG LEU 5 24.261 23.369 13.158 32 HD11 LEU 5 HD11 LEU 5 22.828 21.495 15.090 33 HD12 LEU 5 HD12 LEU 5 24.275 21.052 14.140 34 HD13 LEU 5 HD13 LEU 5 24.374 22.320 15.344 35 HD21 LEU 5 HD21 LEU 5 21.758 21.665 12.719 36 HD22 LEU 5 HD22 LEU 5 22.447 22.845 11.583 37 HD23 LEU 5 HD23 LEU 5 23.347 21.382 11.988 38 H ARG 6 H ARG 6 23.540 26.933 14.437 39 HA ARG 6 HA ARG 6 26.330 26.763 14.364 40 HB2 ARG 6 HB2 ARG 6 26.270 29.220 14.322 41 HB3 ARG 6 HB3 ARG 6 24.991 28.528 13.326 42 HG2 ARG 6 HG2 ARG 6 23.391 28.878 15.291 43 HG3 ARG 6 HG3 ARG 6 24.676 29.775 16.098 44 HD2 ARG 6 HD2 ARG 6 23.561 30.480 13.347 45 HD3 ARG 6 HD3 ARG 6 22.945 31.091 14.888 46 HE ARG 6 HE ARG 6 25.817 31.528 14.451 47 HH11 ARG 6 HH11 ARG 6 22.599 33.017 14.171 48 HH12 ARG 6 HH12 ARG 6 23.318 34.615 14.232 49 HH21 ARG 6 HH21 ARG 6 26.538 33.560 14.489 50 HH22 ARG 6 HH22 ARG 6 25.415 34.924 14.430 51 H ARG 7 H ARG 7 24.382 27.252 17.253 52 HA ARG 7 HA ARG 7 26.646 28.021 19.005 53 HB2 ARG 7 HB2 ARG 7 23.791 27.117 19.639 54 HB3 ARG 7 HB3 ARG 7 24.962 27.720 20.802 55 HG2 ARG 7 HG2 ARG 7 25.033 29.906 19.604 56 HG3 ARG 7 HG3 ARG 7 23.865 29.284 18.434 57 HD2 ARG 7 HD2 ARG 7 22.485 30.504 19.804 58 HD3 ARG 7 HD3 ARG 7 22.290 28.881 20.448 59 HE ARG 7 HE ARG 7 23.149 29.636 22.472 60 HH11 ARG 7 HH11 ARG 7 24.100 32.043 20.070 61 HH12 ARG 7 HH12 ARG 7 24.485 33.195 21.335 62 HH21 ARG 7 HH21 ARG 7 23.730 31.128 23.942 63 HH22 ARG 7 HH22 ARG 7 24.366 32.677 23.427 64 H CYS 8 H CYS 8 24.981 25.141 18.028 65 HA CYS 8 HA CYS 8 25.986 23.420 20.175 66 HB2 CYS 8 HB2 CYS 8 24.444 22.831 17.615 67 HB3 CYS 8 HB3 CYS 8 24.743 21.683 18.908 68 H GLU 9 H GLU 9 26.731 23.872 16.690 69 HA GLU 9 HA GLU 9 28.233 21.529 16.253 70 HB2 GLU 9 HB2 GLU 9 28.554 24.311 15.061 71 HB3 GLU 9 HB3 GLU 9 29.440 22.890 14.513 72 HG2 GLU 9 HG2 GLU 9 27.187 21.786 14.056 73 HG3 GLU 9 HG3 GLU 9 26.447 23.364 14.336 74 H LEU 10 H LEU 10 29.467 24.692 17.390 75 HA LEU 10 HA LEU 10 32.201 23.998 17.436 76 HB2 LEU 10 HB2 LEU 10 32.523 25.991 18.736 77 HB3 LEU 10 HB3 LEU 10 31.307 26.271 17.508 78 HG LEU 10 HG LEU 10 29.685 25.612 19.614 79 HD11 LEU 10 HD11 LEU 10 30.482 26.724 21.639 80 HD12 LEU 10 HD12 LEU 10 31.627 25.455 21.207 81 HD13 LEU 10 HD13 LEU 10 32.018 27.144 20.851 82 HD21 LEU 10 HD21 LEU 10 30.831 28.365 19.037 83 HD22 LEU 10 HD22 LEU 10 29.460 27.603 18.205 84 HD23 LEU 10 HD23 LEU 10 29.325 28.027 19.918 85 H SER 11 H SER 11 29.729 23.450 19.945 86 HA SER 11 HA SER 11 31.491 22.514 22.010 87 HB2 SER 11 HB2 SER 11 28.630 21.617 21.494 88 HB3 SER 11 HB3 SER 11 29.503 21.595 23.030 89 HG SER 11 HG SER 11 29.531 23.899 22.956 90 H CYS 12 H CYS 12 29.682 20.791 19.395 91 HA CYS 12 HA CYS 12 30.647 18.184 20.163 92 HB2 CYS 12 HB2 CYS 12 29.736 19.113 17.423 93 HB3 CYS 12 HB3 CYS 12 29.955 17.445 17.980 94 H ARG 13 H ARG 13 31.903 20.596 17.715 95 HA ARG 13 HA ARG 13 34.125 19.013 16.895 96 HB2 ARG 13 HB2 ARG 13 33.764 22.038 17.003 97 HB3 ARG 13 HB3 ARG 13 35.001 21.157 16.136 98 HG2 ARG 13 HG2 ARG 13 32.615 19.999 15.179 99 HG3 ARG 13 HG3 ARG 13 32.226 21.702 15.381 100 HD2 ARG 13 HD2 ARG 13 32.909 21.513 13.173 101 HD3 ARG 13 HD3 ARG 13 34.292 22.252 13.999 102 HE ARG 13 HE ARG 13 34.880 19.558 14.093 103 HH11 ARG 13 HH11 ARG 13 34.093 21.603 11.301 104 HH12 ARG 13 HH12 ARG 13 35.145 20.639 10.283 105 HH21 ARG 13 HH21 ARG 13 35.892 18.325 12.683 106 HH22 ARG 13 HH22 ARG 13 35.880 18.686 10.963 107 H SER 14 H SER 14 33.664 21.016 19.794 108 HA SER 14 HA SER 14 36.434 20.869 20.609 109 HB2 SER 14 HB2 SER 14 34.678 22.560 21.393 110 HB3 SER 14 HB3 SER 14 34.028 21.271 22.421 111 HG SER 14 HG SER 14 36.567 22.527 22.465 112 H LEU 15 H LEU 15 33.648 18.760 21.188 113 HA LEU 15 HA LEU 15 35.188 16.824 22.771 114 HB2 LEU 15 HB2 LEU 15 32.519 16.620 21.324 115 HB3 LEU 15 HB3 LEU 15 33.181 15.388 22.393 116 HG LEU 15 HG LEU 15 32.432 18.221 23.247 117 HD11 LEU 15 HD11 LEU 15 30.478 16.862 22.606 118 HD12 LEU 15 HD12 LEU 15 31.022 15.556 23.685 119 HD13 LEU 15 HD13 LEU 15 30.530 17.128 24.354 120 HD21 LEU 15 HD21 LEU 15 33.266 15.781 24.882 121 HD22 LEU 15 HD22 LEU 15 34.184 17.293 24.702 122 HD23 LEU 15 HD23 LEU 15 32.637 17.308 25.543 123 H GLY 16 H GLY 16 35.483 17.722 19.598 124 HA2 GLY 16 HA2 GLY 16 36.894 16.806 18.000 125 HA3 GLY 16 HA3 GLY 16 36.876 15.253 18.840 126 H LEU 17 H LEU 17 33.749 16.547 18.253 127 HA LEU 17 HA LEU 17 33.246 14.458 16.157 128 HB2 LEU 17 HB2 LEU 17 31.037 15.648 17.789 129 HB3 LEU 17 HB3 LEU 17 31.176 14.039 17.104 130 HG LEU 17 HG LEU 17 32.523 15.157 19.543 131 HD11 LEU 17 HD11 LEU 17 30.276 14.803 20.073 132 HD12 LEU 17 HD12 LEU 17 30.240 13.200 19.275 133 HD13 LEU 17 HD13 LEU 17 31.151 13.456 20.778 134 HD21 LEU 17 HD21 LEU 17 32.532 12.264 18.511 135 HD22 LEU 17 HD22 LEU 17 33.944 13.334 18.479 136 HD23 LEU 17 HD23 LEU 17 33.285 12.817 20.025 137 H LEU 18 H LEU 18 30.744 15.239 15.415 138 HA LEU 18 HA LEU 18 30.847 18.018 14.317 139 HB2 LEU 18 HB2 LEU 18 29.829 15.487 12.981 140 HB3 LEU 18 HB3 LEU 18 29.408 17.094 12.450 141 HG LEU 18 HG LEU 18 30.994 16.279 10.983 142 HD11 LEU 18 HD11 LEU 18 32.515 18.192 12.788 143 HD12 LEU 18 HD12 LEU 18 32.819 17.884 11.065 144 HD13 LEU 18 HD13 LEU 18 31.308 18.652 11.563 145 HD21 LEU 18 HD21 LEU 18 32.015 14.531 12.457 146 HD22 LEU 18 HD22 LEU 18 33.170 15.427 11.453 147 HD23 LEU 18 HD23 LEU 18 33.031 15.807 13.170 148 H GLY 19 H GLY 19 28.626 18.836 13.880 149 HA2 GLY 19 HA2 GLY 19 26.741 17.955 16.070 150 HA3 GLY 19 HA3 GLY 19 27.060 19.629 15.674 151 H GLU 20 H GLU 20 24.551 18.077 15.826 152 HA GLU 20 HA GLU 20 23.318 18.911 13.252 153 HB2 GLU 20 HB2 GLU 20 23.861 16.517 13.147 154 HB3 GLU 20 HB3 GLU 20 23.076 16.239 14.700 155 HG2 GLU 20 HG2 GLU 20 21.661 15.445 12.938 156 HG3 GLU 20 HG3 GLU 20 20.881 16.822 13.707 157 H CYS 21 H CYS 21 21.151 19.597 13.444 158 HA CYS 21 HA CYS 21 19.969 19.683 16.201 159 HB2 CYS 21 HB2 CYS 21 20.202 21.918 15.227 160 HB3 CYS 21 HB3 CYS 21 19.250 21.407 13.823 161 H ILE 22 H ILE 22 18.315 18.395 16.625 162 HA ILE 22 HA ILE 22 17.133 16.691 14.550 163 HB ILE 22 HB ILE 22 16.523 16.850 17.512 164 HG12 ILE 22 HG12 ILE 22 18.870 16.379 17.407 165 HG13 ILE 22 HG13 ILE 22 18.021 14.903 17.802 166 HG21 ILE 22 HG21 ILE 22 14.789 15.651 16.348 167 HG22 ILE 22 HG22 ILE 22 15.976 14.691 15.440 168 HG23 ILE 22 HG23 ILE 22 15.794 14.471 17.188 169 HD11 ILE 22 HD11 ILE 22 19.832 14.449 16.222 170 HD12 ILE 22 HD12 ILE 22 18.281 14.130 15.432 171 HD13 ILE 22 HD13 ILE 22 19.180 15.616 15.066 172 H GLY 23 H GLY 23 16.237 19.532 16.327 173 HA2 GLY 23 HA2 GLY 23 14.430 20.603 14.555 174 HA3 GLY 23 HA3 GLY 23 13.410 19.570 15.568 175 H GLU 24 H GLU 24 14.043 19.776 17.999 176 HA GLU 24 HA GLU 24 14.198 22.680 18.780 177 HB2 GLU 24 HB2 GLU 24 12.858 20.307 20.086 178 HB3 GLU 24 HB3 GLU 24 13.006 21.894 20.826 179 HG2 GLU 24 HG2 GLU 24 11.536 21.315 18.213 180 HG3 GLU 24 HG3 GLU 24 10.774 21.508 19.797 181 H GLU 25 H GLU 25 15.936 19.816 18.818 182 HA GLU 25 HA GLU 25 17.736 20.707 20.993 183 HB2 GLU 25 HB2 GLU 25 17.745 18.395 21.854 184 HB3 GLU 25 HB3 GLU 25 16.202 19.206 22.064 185 HG2 GLU 25 HG2 GLU 25 16.761 17.228 19.807 186 HG3 GLU 25 HG3 GLU 25 16.140 16.762 21.373 187 H CYS 26 H CYS 26 19.855 20.166 20.807 188 HA CYS 26 HA CYS 26 20.776 19.258 18.147 189 HB2 CYS 26 HB2 CYS 26 22.169 20.586 20.494 190 HB3 CYS 26 HB3 CYS 26 22.977 20.093 19.011 191 H LYS 27 H LYS 27 22.103 17.483 17.799 192 HA LYS 27 HA LYS 27 23.317 16.071 20.120 193 HB2 LYS 27 HB2 LYS 27 21.791 14.888 17.773 194 HB3 LYS 27 HB3 LYS 27 22.961 13.961 18.714 195 HG2 LYS 27 HG2 LYS 27 21.683 14.285 20.772 196 HG3 LYS 27 HG3 LYS 27 20.544 15.361 19.946 197 HD2 LYS 27 HD2 LYS 27 19.579 13.138 20.210 198 HD3 LYS 27 HD3 LYS 27 19.797 13.565 18.500 199 HE2 LYS 27 HE2 LYS 27 21.810 12.215 18.353 200 HE3 LYS 27 HE3 LYS 27 21.754 11.851 20.086 201 HZ1 LYS 27 HZ1 LYS 27 20.828 10.047 18.696 202 HZ2 LYS 27 HZ2 LYS 27 19.701 10.654 19.741 203 HZ3 LYS 27 HZ3 LYS 27 19.641 11.063 18.154 204 H CYS 28 H CYS 28 25.339 15.222 19.763 205 HA CYS 28 HA CYS 28 26.801 16.059 17.327 206 HB2 CYS 28 HB2 CYS 28 27.804 14.481 19.708 207 HB3 CYS 28 HB3 CYS 28 28.761 15.315 18.480 208 H VAL 29 H VAL 29 27.439 14.699 15.734 209 HA VAL 29 HA VAL 29 25.870 12.209 15.571 210 HB VAL 29 HB VAL 29 26.286 12.377 13.130 211 HG11 VAL 29 HG11 VAL 29 24.809 14.264 12.776 212 HG12 VAL 29 HG12 VAL 29 24.304 13.403 14.240 213 HG13 VAL 29 HG13 VAL 29 25.199 14.928 14.376 214 HG21 VAL 29 HG21 VAL 29 27.623 15.025 13.786 215 HG22 VAL 29 HG22 VAL 29 28.442 13.584 13.129 216 HG23 VAL 29 HG23 VAL 29 27.208 14.437 12.187 217 HA PRO 30 HA PRO 30 29.303 9.388 15.595 218 HB2 PRO 30 HB2 PRO 30 28.330 7.282 14.170 219 HB3 PRO 30 HB3 PRO 30 27.693 7.731 15.784 220 HG2 PRO 30 HG2 PRO 30 26.591 8.436 13.041 221 HG3 PRO 30 HG3 PRO 30 25.699 7.771 14.450 222 HD2 PRO 30 HD2 PRO 30 25.721 10.423 13.886 223 HD3 PRO 30 HD3 PRO 30 25.749 9.840 15.571 224 H TYR 31 H TYR 31 28.518 11.025 12.816 225 HA TYR 31 HA TYR 31 29.827 9.661 10.716 226 HB2 TYR 31 HB2 TYR 31 29.480 12.653 10.921 227 HB3 TYR 31 HB3 TYR 31 29.601 11.686 9.463 228 HD1 TYR 31 HD1 TYR 31 27.538 13.731 9.829 229 HD2 TYR 31 HD2 TYR 31 27.454 9.536 10.835 230 HE1 TYR 31 HE1 TYR 31 25.055 13.776 9.835 231 HE2 TYR 31 HE2 TYR 31 24.974 9.595 10.867 232 HH TYR 31 HH TYR 31 23.123 12.619 10.272 Start of MODEL 8 1 H1 ALA 1 H1 ALA 1 10.481 25.735 20.435 2 H2 ALA 1 H2 ALA 1 9.861 24.999 19.112 3 H3 ALA 1 H3 ALA 1 9.200 26.415 19.626 4 HA ALA 1 HA ALA 1 10.517 26.820 17.706 5 HB1 ALA 1 HB1 ALA 1 11.812 27.894 20.252 6 HB2 ALA 1 HB2 ALA 1 12.004 28.573 18.621 7 HB3 ALA 1 HB3 ALA 1 10.414 28.598 19.403 8 H PHE 2 H PHE 2 12.443 26.611 16.515 9 HA PHE 2 HA PHE 2 13.767 24.139 16.981 10 HB2 PHE 2 HB2 PHE 2 14.028 26.248 14.819 11 HB3 PHE 2 HB3 PHE 2 14.962 24.760 14.823 12 HD1 PHE 2 HD1 PHE 2 13.862 22.531 14.628 13 HD2 PHE 2 HD2 PHE 2 11.671 26.213 14.139 14 HE1 PHE 2 HE1 PHE 2 11.983 21.278 13.605 15 HE2 PHE 2 HE2 PHE 2 9.796 24.961 13.120 16 HZ PHE 2 HZ PHE 2 9.943 22.490 12.850 17 H CYS 3 H CYS 3 15.827 23.639 17.145 18 HA CYS 3 HA CYS 3 17.541 25.123 18.857 19 HB2 CYS 3 HB2 CYS 3 19.129 23.200 18.332 20 HB3 CYS 3 HB3 CYS 3 17.631 22.863 19.137 21 H ASN 4 H ASN 4 19.723 25.485 18.524 22 HA ASN 4 HA ASN 4 20.164 27.218 16.128 23 HB2 ASN 4 HB2 ASN 4 21.073 27.533 19.016 24 HB3 ASN 4 HB3 ASN 4 21.385 28.674 17.707 25 HD21 ASN 4 HD21 ASN 4 18.202 30.175 18.020 26 HD22 ASN 4 HD22 ASN 4 19.826 30.277 17.335 27 H LEU 5 H LEU 5 21.133 25.478 14.947 28 HA LEU 5 HA LEU 5 23.122 23.750 15.703 29 HB2 LEU 5 HB2 LEU 5 21.812 23.616 13.638 30 HB3 LEU 5 HB3 LEU 5 22.598 25.064 13.013 31 HG LEU 5 HG LEU 5 24.767 23.875 12.942 32 HD11 LEU 5 HD11 LEU 5 23.118 21.430 13.735 33 HD12 LEU 5 HD12 LEU 5 24.789 21.397 13.142 34 HD13 LEU 5 HD13 LEU 5 24.430 22.163 14.690 35 HD21 LEU 5 HD21 LEU 5 22.496 22.490 11.475 36 HD22 LEU 5 HD22 LEU 5 23.352 23.959 10.959 37 HD23 LEU 5 HD23 LEU 5 24.218 22.424 11.034 38 H ARG 6 H ARG 6 23.679 27.060 14.493 39 HA ARG 6 HA ARG 6 26.482 27.006 14.147 40 HB2 ARG 6 HB2 ARG 6 24.927 28.826 13.469 41 HB3 ARG 6 HB3 ARG 6 24.693 29.270 15.161 42 HG2 ARG 6 HG2 ARG 6 27.127 29.867 15.291 43 HG3 ARG 6 HG3 ARG 6 27.308 29.421 13.594 44 HD2 ARG 6 HD2 ARG 6 27.096 31.859 13.806 45 HD3 ARG 6 HD3 ARG 6 25.747 31.178 12.914 46 HE ARG 6 HE ARG 6 24.319 32.050 14.443 47 HH11 ARG 6 HH11 ARG 6 27.433 31.883 16.152 48 HH12 ARG 6 HH12 ARG 6 26.689 32.454 17.636 49 HH21 ARG 6 HH21 ARG 6 23.607 33.017 16.333 50 HH22 ARG 6 HH22 ARG 6 24.677 33.030 17.731 51 H ARG 7 H ARG 7 24.705 27.391 17.213 52 HA ARG 7 HA ARG 7 27.187 27.915 18.752 53 HB2 ARG 7 HB2 ARG 7 24.329 27.333 19.677 54 HB3 ARG 7 HB3 ARG 7 25.696 27.737 20.723 55 HG2 ARG 7 HG2 ARG 7 25.949 29.890 19.346 56 HG3 ARG 7 HG3 ARG 7 24.363 29.538 18.654 57 HD2 ARG 7 HD2 ARG 7 24.952 29.843 21.627 58 HD3 ARG 7 HD3 ARG 7 24.384 31.140 20.603 59 HE ARG 7 HE ARG 7 22.260 30.197 20.434 60 HH11 ARG 7 HH11 ARG 7 24.182 28.395 22.765 61 HH12 ARG 7 HH12 ARG 7 22.859 27.337 23.179 62 HH21 ARG 7 HH21 ARG 7 20.555 29.141 21.374 63 HH22 ARG 7 HH22 ARG 7 20.842 27.743 22.396 64 H CYS 8 H CYS 8 25.067 25.218 18.066 65 HA CYS 8 HA CYS 8 26.167 23.312 19.903 66 HB2 CYS 8 HB2 CYS 8 23.947 23.093 19.039 67 HB3 CYS 8 HB3 CYS 8 24.519 23.161 17.374 68 H GLU 9 H GLU 9 26.910 23.890 16.399 69 HA GLU 9 HA GLU 9 28.524 21.631 15.973 70 HB2 GLU 9 HB2 GLU 9 28.577 24.430 14.779 71 HB3 GLU 9 HB3 GLU 9 29.746 23.204 14.291 72 HG2 GLU 9 HG2 GLU 9 27.788 21.641 13.826 73 HG3 GLU 9 HG3 GLU 9 26.735 23.038 14.008 74 H LEU 10 H LEU 10 29.533 24.698 17.485 75 HA LEU 10 HA LEU 10 32.325 23.941 17.696 76 HB2 LEU 10 HB2 LEU 10 30.791 25.984 19.344 77 HB3 LEU 10 HB3 LEU 10 32.535 25.906 19.091 78 HG LEU 10 HG LEU 10 30.422 26.540 16.993 79 HD11 LEU 10 HD11 LEU 10 32.593 28.282 18.218 80 HD12 LEU 10 HD12 LEU 10 31.388 28.771 17.007 81 HD13 LEU 10 HD13 LEU 10 30.860 28.336 18.638 82 HD21 LEU 10 HD21 LEU 10 32.300 25.386 15.891 83 HD22 LEU 10 HD22 LEU 10 32.339 27.108 15.504 84 HD23 LEU 10 HD23 LEU 10 33.464 26.452 16.714 85 H SER 11 H SER 11 29.527 23.569 19.851 86 HA SER 11 HA SER 11 30.942 22.576 22.162 87 HB2 SER 11 HB2 SER 11 28.585 23.304 22.255 88 HB3 SER 11 HB3 SER 11 28.120 21.957 21.202 89 HG SER 11 HG SER 11 27.733 21.246 23.207 90 H CYS 12 H CYS 12 29.554 20.888 19.295 91 HA CYS 12 HA CYS 12 30.468 18.284 20.200 92 HB2 CYS 12 HB2 CYS 12 29.614 19.183 17.429 93 HB3 CYS 12 HB3 CYS 12 29.881 17.519 17.978 94 H ARG 13 H ARG 13 31.842 20.667 17.836 95 HA ARG 13 HA ARG 13 34.070 19.034 17.103 96 HB2 ARG 13 HB2 ARG 13 33.169 21.117 15.999 97 HB3 ARG 13 HB3 ARG 13 34.103 22.056 17.179 98 HG2 ARG 13 HG2 ARG 13 36.191 20.962 16.427 99 HG3 ARG 13 HG3 ARG 13 35.282 19.878 15.359 100 HD2 ARG 13 HD2 ARG 13 35.442 22.883 15.156 101 HD3 ARG 13 HD3 ARG 13 36.314 21.731 14.120 102 HE ARG 13 HE ARG 13 33.864 20.898 13.594 103 HH11 ARG 13 HH11 ARG 13 34.826 24.251 13.794 104 HH12 ARG 13 HH12 ARG 13 33.356 24.823 13.040 105 HH21 ARG 13 HH21 ARG 13 32.036 21.640 12.610 106 HH22 ARG 13 HH22 ARG 13 31.861 23.353 12.313 107 H SER 14 H SER 14 33.540 21.019 19.953 108 HA SER 14 HA SER 14 36.249 20.838 20.921 109 HB2 SER 14 HB2 SER 14 33.690 21.168 22.551 110 HB3 SER 14 HB3 SER 14 35.336 21.508 23.102 111 HG SER 14 HG SER 14 33.874 22.841 21.048 112 H LEU 15 H LEU 15 33.755 18.488 20.766 113 HA LEU 15 HA LEU 15 35.265 16.567 22.460 114 HB2 LEU 15 HB2 LEU 15 32.538 16.310 21.151 115 HB3 LEU 15 HB3 LEU 15 33.277 15.148 22.244 116 HG LEU 15 HG LEU 15 32.393 17.965 23.008 117 HD11 LEU 15 HD11 LEU 15 31.157 15.233 23.526 118 HD12 LEU 15 HD12 LEU 15 30.581 16.775 24.190 119 HD13 LEU 15 HD13 LEU 15 30.522 16.491 22.438 120 HD21 LEU 15 HD21 LEU 15 33.375 15.646 24.724 121 HD22 LEU 15 HD22 LEU 15 34.224 17.186 24.455 122 HD23 LEU 15 HD23 LEU 15 32.688 17.171 25.333 123 H GLY 16 H GLY 16 35.611 17.639 19.402 124 HA2 GLY 16 HA2 GLY 16 36.756 16.716 17.608 125 HA3 GLY 16 HA3 GLY 16 36.718 15.136 18.393 126 H LEU 17 H LEU 17 33.654 16.745 17.974 127 HA LEU 17 HA LEU 17 32.953 14.770 15.809 128 HB2 LEU 17 HB2 LEU 17 30.854 15.718 17.686 129 HB3 LEU 17 HB3 LEU 17 30.994 14.178 16.860 130 HG LEU 17 HG LEU 17 32.553 15.119 19.228 131 HD11 LEU 17 HD11 LEU 17 30.173 13.277 19.136 132 HD12 LEU 17 HD12 LEU 17 31.246 13.440 20.542 133 HD13 LEU 17 HD13 LEU 17 30.356 14.847 19.980 134 HD21 LEU 17 HD21 LEU 17 32.287 12.266 18.115 135 HD22 LEU 17 HD22 LEU 17 33.722 13.277 17.884 136 HD23 LEU 17 HD23 LEU 17 33.280 12.749 19.507 137 H LEU 18 H LEU 18 30.608 15.341 15.091 138 HA LEU 18 HA LEU 18 30.466 18.161 14.070 139 HB2 LEU 18 HB2 LEU 18 29.199 15.608 12.981 140 HB3 LEU 18 HB3 LEU 18 28.832 17.222 12.443 141 HG LEU 18 HG LEU 18 31.261 17.493 11.774 142 HD11 LEU 18 HD11 LEU 18 32.413 15.266 11.260 143 HD12 LEU 18 HD12 LEU 18 32.388 15.724 12.948 144 HD13 LEU 18 HD13 LEU 18 31.242 14.504 12.354 145 HD21 LEU 18 HD21 LEU 18 29.662 15.261 10.454 146 HD22 LEU 18 HD22 LEU 18 29.372 17.000 10.220 147 HD23 LEU 18 HD23 LEU 18 30.888 16.292 9.676 148 H GLY 19 H GLY 19 28.241 19.000 13.988 149 HA2 GLY 19 HA2 GLY 19 26.508 18.009 16.242 150 HA3 GLY 19 HA3 GLY 19 26.661 19.699 15.849 151 H GLU 20 H GLU 20 24.335 17.920 16.022 152 HA GLU 20 HA GLU 20 23.100 18.254 13.318 153 HB2 GLU 20 HB2 GLU 20 24.076 16.018 13.512 154 HB3 GLU 20 HB3 GLU 20 23.266 15.768 15.054 155 HG2 GLU 20 HG2 GLU 20 21.044 16.051 13.758 156 HG3 GLU 20 HG3 GLU 20 22.020 15.941 12.288 157 H CYS 21 H CYS 21 21.523 19.701 13.741 158 HA CYS 21 HA CYS 21 19.988 19.672 16.277 159 HB2 CYS 21 HB2 CYS 21 20.770 21.798 15.692 160 HB3 CYS 21 HB3 CYS 21 20.388 21.579 13.994 161 H ILE 22 H ILE 22 18.149 18.669 16.493 162 HA ILE 22 HA ILE 22 16.221 18.409 14.253 163 HB ILE 22 HB ILE 22 17.131 16.138 16.048 164 HG12 ILE 22 HG12 ILE 22 18.555 16.434 14.056 165 HG13 ILE 22 HG13 ILE 22 17.679 14.920 14.052 166 HG21 ILE 22 HG21 ILE 22 14.732 15.969 15.969 167 HG22 ILE 22 HG22 ILE 22 14.703 16.254 14.216 168 HG23 ILE 22 HG23 ILE 22 15.390 14.754 14.877 169 HD11 ILE 22 HD11 ILE 22 17.775 15.932 11.814 170 HD12 ILE 22 HD12 ILE 22 16.105 15.746 12.365 171 HD13 ILE 22 HD13 ILE 22 16.880 17.347 12.392 172 H GLY 23 H GLY 23 14.408 19.256 14.778 173 HA2 GLY 23 HA2 GLY 23 12.719 20.234 15.980 174 HA3 GLY 23 HA3 GLY 23 13.007 19.041 17.251 175 H GLU 24 H GLU 24 13.813 19.748 19.102 176 HA GLU 24 HA GLU 24 14.971 22.516 19.294 177 HB2 GLU 24 HB2 GLU 24 13.845 22.801 21.404 178 HB3 GLU 24 HB3 GLU 24 12.670 22.348 20.172 179 HG2 GLU 24 HG2 GLU 24 12.739 19.980 21.012 180 HG3 GLU 24 HG3 GLU 24 13.871 20.476 22.275 181 H GLU 25 H GLU 25 16.305 19.788 19.033 182 HA GLU 25 HA GLU 25 18.250 20.172 21.260 183 HB2 GLU 25 HB2 GLU 25 17.174 17.477 20.378 184 HB3 GLU 25 HB3 GLU 25 18.364 17.812 21.645 185 HG2 GLU 25 HG2 GLU 25 16.470 19.140 22.799 186 HG3 GLU 25 HG3 GLU 25 15.368 18.356 21.656 187 H CYS 26 H CYS 26 20.369 19.759 20.748 188 HA CYS 26 HA CYS 26 20.971 18.795 18.000 189 HB2 CYS 26 HB2 CYS 26 20.987 21.234 18.134 190 HB3 CYS 26 HB3 CYS 26 22.214 21.163 19.398 191 H LYS 27 H LYS 27 21.474 16.779 18.591 192 HA LYS 27 HA LYS 27 23.600 16.177 20.537 193 HB2 LYS 27 HB2 LYS 27 22.055 14.446 18.555 194 HB3 LYS 27 HB3 LYS 27 23.256 13.844 19.709 195 HG2 LYS 27 HG2 LYS 27 21.899 14.835 21.579 196 HG3 LYS 27 HG3 LYS 27 20.622 15.212 20.417 197 HD2 LYS 27 HD2 LYS 27 21.727 12.456 21.063 198 HD3 LYS 27 HD3 LYS 27 20.210 13.142 21.666 199 HE2 LYS 27 HE2 LYS 27 19.277 13.197 19.410 200 HE3 LYS 27 HE3 LYS 27 20.794 12.618 18.719 201 HZ1 LYS 27 HZ1 LYS 27 19.043 10.862 19.147 202 HZ2 LYS 27 HZ2 LYS 27 20.490 10.504 19.796 203 HZ3 LYS 27 HZ3 LYS 27 19.286 11.074 20.755 204 H CYS 28 H CYS 28 25.432 14.771 19.800 205 HA CYS 28 HA CYS 28 26.669 15.989 17.392 206 HB2 CYS 28 HB2 CYS 28 27.987 14.509 19.670 207 HB3 CYS 28 HB3 CYS 28 28.772 15.440 18.398 208 H VAL 29 H VAL 29 27.954 14.700 15.989 209 HA VAL 29 HA VAL 29 27.527 11.770 15.838 210 HB VAL 29 HB VAL 29 26.824 12.048 13.412 211 HG11 VAL 29 HG11 VAL 29 24.754 13.070 15.370 212 HG12 VAL 29 HG12 VAL 29 24.514 12.195 13.836 213 HG13 VAL 29 HG13 VAL 29 25.253 11.366 15.210 214 HG21 VAL 29 HG21 VAL 29 27.323 14.365 12.970 215 HG22 VAL 29 HG22 VAL 29 25.578 14.139 12.847 216 HG23 VAL 29 HG23 VAL 29 26.242 14.919 14.274 217 HA PRO 30 HA PRO 30 31.457 12.313 13.667 218 HB2 PRO 30 HB2 PRO 30 32.075 9.788 12.999 219 HB3 PRO 30 HB3 PRO 30 31.836 10.256 14.707 220 HG2 PRO 30 HG2 PRO 30 29.832 8.912 12.857 221 HG3 PRO 30 HG3 PRO 30 30.284 8.450 14.526 222 HD2 PRO 30 HD2 PRO 30 28.084 10.023 13.894 223 HD3 PRO 30 HD3 PRO 30 28.970 10.127 15.443 224 H TYR 31 H TYR 31 28.786 10.985 11.787 225 HA TYR 31 HA TYR 31 28.538 10.294 9.636 226 HB2 TYR 31 HB2 TYR 31 29.588 13.097 9.279 227 HB3 TYR 31 HB3 TYR 31 28.692 12.155 8.091 228 HD1 TYR 31 HD1 TYR 31 26.708 11.085 10.556 229 HD2 TYR 31 HD2 TYR 31 27.900 14.853 8.798 230 HE1 TYR 31 HE1 TYR 31 24.497 12.033 11.086 231 HE2 TYR 31 HE2 TYR 31 25.661 15.798 9.362 232 HH TYR 31 HH TYR 31 23.286 14.017 11.290 Start of MODEL 9 1 H1 ALA 1 H1 ALA 1 20.966 24.316 27.092 2 H2 ALA 1 H2 ALA 1 20.231 23.297 26.021 3 H3 ALA 1 H3 ALA 1 19.494 24.697 26.496 4 HA ALA 1 HA ALA 1 21.075 26.051 25.425 5 HB1 ALA 1 HB1 ALA 1 23.058 24.674 25.747 6 HB2 ALA 1 HB2 ALA 1 22.418 23.429 24.649 7 HB3 ALA 1 HB3 ALA 1 22.852 25.031 24.023 8 H PHE 2 H PHE 2 20.277 26.890 23.553 9 HA PHE 2 HA PHE 2 18.020 25.769 22.274 10 HB2 PHE 2 HB2 PHE 2 19.899 28.028 21.474 11 HB3 PHE 2 HB3 PHE 2 18.384 27.664 20.666 12 HD1 PHE 2 HD1 PHE 2 19.897 29.454 23.411 13 HD2 PHE 2 HD2 PHE 2 16.202 27.738 21.998 14 HE1 PHE 2 HE1 PHE 2 18.622 30.877 24.999 15 HE2 PHE 2 HE2 PHE 2 14.936 29.144 23.592 16 HZ PHE 2 HZ PHE 2 16.140 30.724 25.097 17 H CYS 3 H CYS 3 17.740 25.045 20.279 18 HA CYS 3 HA CYS 3 19.705 23.299 19.156 19 HB2 CYS 3 HB2 CYS 3 17.070 23.224 19.322 20 HB3 CYS 3 HB3 CYS 3 17.128 23.946 17.727 21 H ASN 4 H ASN 4 20.507 26.098 18.939 22 HA ASN 4 HA ASN 4 20.514 26.950 16.140 23 HB2 ASN 4 HB2 ASN 4 20.804 28.609 17.934 24 HB3 ASN 4 HB3 ASN 4 22.208 27.756 18.554 25 HD21 ASN 4 HD21 ASN 4 22.538 29.864 15.030 26 HD22 ASN 4 HD22 ASN 4 20.956 29.274 15.542 27 H LEU 5 H LEU 5 21.490 25.764 14.598 28 HA LEU 5 HA LEU 5 23.165 23.605 15.268 29 HB2 LEU 5 HB2 LEU 5 21.731 23.698 13.278 30 HB3 LEU 5 HB3 LEU 5 22.730 24.985 12.595 31 HG LEU 5 HG LEU 5 24.663 23.455 12.488 32 HD11 LEU 5 HD11 LEU 5 24.233 20.986 12.783 33 HD12 LEU 5 HD12 LEU 5 24.255 21.887 14.300 34 HD13 LEU 5 HD13 LEU 5 22.701 21.396 13.579 35 HD21 LEU 5 HD21 LEU 5 23.846 22.059 10.668 36 HD22 LEU 5 HD22 LEU 5 22.167 22.263 11.229 37 HD23 LEU 5 HD23 LEU 5 23.067 23.649 10.601 38 H ARG 6 H ARG 6 24.021 26.901 14.236 39 HA ARG 6 HA ARG 6 26.823 26.492 13.949 40 HB2 ARG 6 HB2 ARG 6 25.454 28.469 13.227 41 HB3 ARG 6 HB3 ARG 6 25.422 29.015 14.905 42 HG2 ARG 6 HG2 ARG 6 27.953 29.087 14.832 43 HG3 ARG 6 HG3 ARG 6 27.875 28.680 13.110 44 HD2 ARG 6 HD2 ARG 6 26.586 31.106 14.415 45 HD3 ARG 6 HD3 ARG 6 28.139 31.131 13.589 46 HE ARG 6 HE ARG 6 25.433 30.679 12.357 47 HH11 ARG 6 HH11 ARG 6 28.766 31.936 11.884 48 HH12 ARG 6 HH12 ARG 6 28.276 32.548 10.324 49 HH21 ARG 6 HH21 ARG 6 25.085 31.567 10.337 50 HH22 ARG 6 HH22 ARG 6 26.412 32.387 9.534 51 H ARG 7 H ARG 7 24.986 27.308 16.943 52 HA ARG 7 HA ARG 7 27.302 27.146 18.721 53 HB2 ARG 7 HB2 ARG 7 24.290 27.110 19.095 54 HB3 ARG 7 HB3 ARG 7 25.350 26.634 20.412 55 HG2 ARG 7 HG2 ARG 7 26.574 28.746 20.257 56 HG3 ARG 7 HG3 ARG 7 25.439 29.329 19.025 57 HD2 ARG 7 HD2 ARG 7 23.614 29.380 20.574 58 HD3 ARG 7 HD3 ARG 7 24.441 28.310 21.709 59 HE ARG 7 HE ARG 7 25.621 30.065 22.617 60 HH11 ARG 7 HH11 ARG 7 23.938 31.495 19.843 61 HH12 ARG 7 HH12 ARG 7 24.878 32.977 20.064 62 HH21 ARG 7 HH21 ARG 7 26.520 31.955 22.824 63 HH22 ARG 7 HH22 ARG 7 26.175 33.253 21.651 64 H CYS 8 H CYS 8 24.899 24.763 17.647 65 HA CYS 8 HA CYS 8 25.760 22.707 19.434 66 HB2 CYS 8 HB2 CYS 8 24.344 22.503 16.752 67 HB3 CYS 8 HB3 CYS 8 24.505 21.208 17.941 68 H GLU 9 H GLU 9 26.796 23.422 16.064 69 HA GLU 9 HA GLU 9 28.628 21.205 15.859 70 HB2 GLU 9 HB2 GLU 9 28.469 23.884 14.432 71 HB3 GLU 9 HB3 GLU 9 29.700 22.662 14.080 72 HG2 GLU 9 HG2 GLU 9 27.964 21.012 13.529 73 HG3 GLU 9 HG3 GLU 9 26.703 22.195 13.846 74 H LEU 10 H LEU 10 29.190 24.616 16.942 75 HA LEU 10 HA LEU 10 31.956 24.078 17.470 76 HB2 LEU 10 HB2 LEU 10 32.165 26.246 18.100 77 HB3 LEU 10 HB3 LEU 10 30.795 26.299 17.019 78 HG LEU 10 HG LEU 10 29.424 26.130 19.308 79 HD11 LEU 10 HD11 LEU 10 32.006 27.498 20.172 80 HD12 LEU 10 HD12 LEU 10 30.494 27.402 21.095 81 HD13 LEU 10 HD13 LEU 10 31.421 25.940 20.788 82 HD21 LEU 10 HD21 LEU 10 30.779 28.698 18.440 83 HD22 LEU 10 HD22 LEU 10 29.319 28.012 17.695 84 HD23 LEU 10 HD23 LEU 10 29.285 28.562 19.380 85 H SER 11 H SER 11 29.088 23.606 19.480 86 HA SER 11 HA SER 11 30.520 22.977 21.909 87 HB2 SER 11 HB2 SER 11 28.128 23.400 21.937 88 HB3 SER 11 HB3 SER 11 27.821 21.959 20.949 89 HG SER 11 HG SER 11 28.281 20.664 22.621 90 H CYS 12 H CYS 12 29.429 20.840 19.207 91 HA CYS 12 HA CYS 12 30.511 18.449 20.417 92 HB2 CYS 12 HB2 CYS 12 29.611 19.056 17.586 93 HB3 CYS 12 HB3 CYS 12 30.114 17.457 18.173 94 H ARG 13 H ARG 13 31.922 20.941 18.382 95 HA ARG 13 HA ARG 13 34.332 19.702 17.592 96 HB2 ARG 13 HB2 ARG 13 33.430 22.034 17.085 97 HB3 ARG 13 HB3 ARG 13 34.020 22.526 18.673 98 HG2 ARG 13 HG2 ARG 13 36.312 22.066 18.036 99 HG3 ARG 13 HG3 ARG 13 35.786 21.342 16.501 100 HD2 ARG 13 HD2 ARG 13 36.579 23.592 16.081 101 HD3 ARG 13 HD3 ARG 13 34.835 23.512 15.800 102 HE ARG 13 HE ARG 13 35.675 24.392 18.504 103 HH11 ARG 13 HH11 ARG 13 34.583 25.473 15.319 104 HH12 ARG 13 HH12 ARG 13 34.273 27.078 15.906 105 HH21 ARG 13 HH21 ARG 13 35.391 26.577 19.059 106 HH22 ARG 13 HH22 ARG 13 34.422 27.582 17.988 107 H SER 14 H SER 14 33.238 20.547 20.841 108 HA SER 14 HA SER 14 35.875 20.371 22.029 109 HB2 SER 14 HB2 SER 14 34.790 20.327 24.184 110 HB3 SER 14 HB3 SER 14 33.943 21.508 23.168 111 HG SER 14 HG SER 14 32.287 20.072 22.878 112 H LEU 15 H LEU 15 33.798 17.909 20.885 113 HA LEU 15 HA LEU 15 35.442 15.782 22.186 114 HB2 LEU 15 HB2 LEU 15 32.733 15.712 20.811 115 HB3 LEU 15 HB3 LEU 15 33.571 14.282 21.419 116 HG LEU 15 HG LEU 15 32.651 16.617 23.156 117 HD11 LEU 15 HD11 LEU 15 30.745 15.456 22.131 118 HD12 LEU 15 HD12 LEU 15 31.377 13.892 22.698 119 HD13 LEU 15 HD13 LEU 15 30.841 15.122 23.866 120 HD21 LEU 15 HD21 LEU 15 34.505 15.329 24.175 121 HD22 LEU 15 HD22 LEU 15 32.985 15.025 25.019 122 HD23 LEU 15 HD23 LEU 15 33.620 13.813 23.884 123 H GLY 16 H GLY 16 35.728 17.645 19.577 124 HA2 GLY 16 HA2 GLY 16 36.917 17.442 17.619 125 HA3 GLY 16 HA3 GLY 16 37.128 15.712 17.911 126 H LEU 17 H LEU 17 33.859 17.009 17.938 127 HA LEU 17 HA LEU 17 33.321 15.553 15.358 128 HB2 LEU 17 HB2 LEU 17 31.160 15.824 17.397 129 HB3 LEU 17 HB3 LEU 17 31.404 14.574 16.197 130 HG LEU 17 HG LEU 17 32.882 14.971 18.746 131 HD11 LEU 17 HD11 LEU 17 31.751 12.871 19.505 132 HD12 LEU 17 HD12 LEU 17 30.730 14.291 19.329 133 HD13 LEU 17 HD13 LEU 17 30.696 13.012 18.076 134 HD21 LEU 17 HD21 LEU 17 34.275 13.708 17.034 135 HD22 LEU 17 HD22 LEU 17 33.825 12.666 18.381 136 HD23 LEU 17 HD23 LEU 17 32.941 12.558 16.843 137 H LEU 18 H LEU 18 31.043 16.001 14.699 138 HA LEU 18 HA LEU 18 30.442 18.922 14.450 139 HB2 LEU 18 HB2 LEU 18 29.849 16.492 12.753 140 HB3 LEU 18 HB3 LEU 18 28.702 17.807 12.731 141 HG LEU 18 HG LEU 18 30.283 17.898 10.863 142 HD11 LEU 18 HD11 LEU 18 29.228 19.974 11.625 143 HD12 LEU 18 HD12 LEU 18 30.587 20.277 12.745 144 HD13 LEU 18 HD13 LEU 18 30.857 20.268 11.003 145 HD21 LEU 18 HD21 LEU 18 32.277 17.030 12.120 146 HD22 LEU 18 HD22 LEU 18 32.605 18.460 11.119 147 HD23 LEU 18 HD23 LEU 18 32.441 18.627 12.875 148 H GLY 19 H GLY 19 28.216 19.502 14.531 149 HA2 GLY 19 HA2 GLY 19 26.576 17.964 16.506 150 HA3 GLY 19 HA3 GLY 19 26.568 19.718 16.377 151 H GLU 20 H GLU 20 24.361 17.968 16.217 152 HA GLU 20 HA GLU 20 23.150 18.814 13.621 153 HB2 GLU 20 HB2 GLU 20 23.846 16.439 13.464 154 HB3 GLU 20 HB3 GLU 20 23.017 16.096 14.978 155 HG2 GLU 20 HG2 GLU 20 21.429 15.329 13.599 156 HG3 GLU 20 HG3 GLU 20 20.870 16.982 13.625 157 H CYS 21 H CYS 21 21.086 19.628 13.883 158 HA CYS 21 HA CYS 21 19.936 19.779 16.623 159 HB2 CYS 21 HB2 CYS 21 20.202 21.921 15.602 160 HB3 CYS 21 HB3 CYS 21 19.492 21.361 14.095 161 H ILE 22 H ILE 22 18.251 18.629 17.201 162 HA ILE 22 HA ILE 22 16.418 17.467 15.168 163 HB ILE 22 HB ILE 22 17.281 16.212 17.800 164 HG12 ILE 22 HG12 ILE 22 17.818 14.373 15.849 165 HG13 ILE 22 HG13 ILE 22 18.072 15.812 14.891 166 HG21 ILE 22 HG21 ILE 22 14.876 15.774 17.229 167 HG22 ILE 22 HG22 ILE 22 15.373 15.161 15.648 168 HG23 ILE 22 HG23 ILE 22 15.877 14.337 17.141 169 HD11 ILE 22 HD11 ILE 22 19.723 16.586 16.628 170 HD12 ILE 22 HD12 ILE 22 19.429 15.080 17.525 171 HD13 ILE 22 HD13 ILE 22 20.168 15.031 15.903 172 H GLY 23 H GLY 23 15.436 19.357 15.214 173 HA2 GLY 23 HA2 GLY 23 13.619 20.708 15.554 174 HA3 GLY 23 HA3 GLY 23 13.046 19.522 16.721 175 H GLU 24 H GLU 24 14.351 19.644 18.867 176 HA GLU 24 HA GLU 24 14.545 22.481 19.786 177 HB2 GLU 24 HB2 GLU 24 13.118 22.024 21.643 178 HB3 GLU 24 HB3 GLU 24 12.283 21.539 20.172 179 HG2 GLU 24 HG2 GLU 24 12.847 19.156 20.643 180 HG3 GLU 24 HG3 GLU 24 13.690 19.643 22.114 181 H GLU 25 H GLU 25 16.207 19.506 19.711 182 HA GLU 25 HA GLU 25 18.156 20.609 21.581 183 HB2 GLU 25 HB2 GLU 25 16.907 19.110 23.027 184 HB3 GLU 25 HB3 GLU 25 16.867 17.868 21.795 185 HG2 GLU 25 HG2 GLU 25 18.384 17.235 23.528 186 HG3 GLU 25 HG3 GLU 25 19.218 17.440 22.004 187 H CYS 26 H CYS 26 20.267 20.000 21.150 188 HA CYS 26 HA CYS 26 20.701 18.760 18.493 189 HB2 CYS 26 HB2 CYS 26 22.413 20.507 20.265 190 HB3 CYS 26 HB3 CYS 26 23.038 19.690 18.835 191 H LYS 27 H LYS 27 22.299 17.255 18.113 192 HA LYS 27 HA LYS 27 23.555 15.792 20.387 193 HB2 LYS 27 HB2 LYS 27 22.242 14.427 18.004 194 HB3 LYS 27 HB3 LYS 27 23.057 13.627 19.344 195 HG2 LYS 27 HG2 LYS 27 20.466 15.230 19.588 196 HG3 LYS 27 HG3 LYS 27 20.564 13.488 19.381 197 HD2 LYS 27 HD2 LYS 27 21.678 13.225 21.530 198 HD3 LYS 27 HD3 LYS 27 21.721 14.984 21.773 199 HE2 LYS 27 HE2 LYS 27 19.244 15.072 21.661 200 HE3 LYS 27 HE3 LYS 27 19.182 13.322 21.401 201 HZ1 LYS 27 HZ1 LYS 27 18.781 13.888 23.718 202 HZ2 LYS 27 HZ2 LYS 27 20.230 13.059 23.607 203 HZ3 LYS 27 HZ3 LYS 27 20.215 14.670 23.830 204 H CYS 28 H CYS 28 25.638 14.961 19.883 205 HA CYS 28 HA CYS 28 26.917 16.011 17.456 206 HB2 CYS 28 HB2 CYS 28 28.108 14.124 19.501 207 HB3 CYS 28 HB3 CYS 28 28.958 15.116 18.314 208 H VAL 29 H VAL 29 27.916 14.854 15.831 209 HA VAL 29 HA VAL 29 26.613 12.249 15.155 210 HB VAL 29 HB VAL 29 26.615 13.367 12.755 211 HG11 VAL 29 HG11 VAL 29 24.626 12.586 13.930 212 HG12 VAL 29 HG12 VAL 29 24.555 14.120 14.843 213 HG13 VAL 29 HG13 VAL 29 24.344 14.106 13.068 214 HG21 VAL 29 HG21 VAL 29 26.137 15.749 12.743 215 HG22 VAL 29 HG22 VAL 29 26.367 15.861 14.479 216 HG23 VAL 29 HG23 VAL 29 27.748 15.461 13.423 217 HA PRO 30 HA PRO 30 30.474 10.712 13.797 218 HB2 PRO 30 HB2 PRO 30 29.775 8.947 11.813 219 HB3 PRO 30 HB3 PRO 30 29.362 8.704 13.542 220 HG2 PRO 30 HG2 PRO 30 27.628 9.867 11.343 221 HG3 PRO 30 HG3 PRO 30 27.211 8.573 12.518 222 HD2 PRO 30 HD2 PRO 30 26.496 11.140 12.944 223 HD3 PRO 30 HD3 PRO 30 27.053 10.123 14.299 224 H TYR 31 H TYR 31 28.955 12.862 11.909 225 HA TYR 31 HA TYR 31 29.827 12.644 9.288 226 HB2 TYR 31 HB2 TYR 31 29.194 15.150 10.870 227 HB3 TYR 31 HB3 TYR 31 29.203 15.027 9.128 228 HD1 TYR 31 HD1 TYR 31 26.951 16.222 10.292 229 HD2 TYR 31 HD2 TYR 31 27.677 11.997 9.782 230 HE1 TYR 31 HE1 TYR 31 24.503 15.793 10.321 231 HE2 TYR 31 HE2 TYR 31 25.234 11.581 9.872 232 HH TYR 31 HH TYR 31 22.878 14.209 10.433 Start of MODEL 10 1 H1 ALA 1 H1 ALA 1 10.145 28.445 14.788 2 H2 ALA 1 H2 ALA 1 10.260 26.900 15.375 3 H3 ALA 1 H3 ALA 1 10.585 27.221 13.775 4 HA ALA 1 HA ALA 1 12.500 28.470 14.306 5 HB1 ALA 1 HB1 ALA 1 11.730 29.430 16.438 6 HB2 ALA 1 HB2 ALA 1 11.817 27.820 17.205 7 HB3 ALA 1 HB3 ALA 1 13.304 28.624 16.638 8 H PHE 2 H PHE 2 14.529 27.464 14.326 9 HA PHE 2 HA PHE 2 14.560 24.509 14.744 10 HB2 PHE 2 HB2 PHE 2 16.516 26.282 13.255 11 HB3 PHE 2 HB3 PHE 2 16.557 24.526 13.360 12 HD1 PHE 2 HD1 PHE 2 14.515 23.214 12.436 13 HD2 PHE 2 HD2 PHE 2 15.336 27.333 11.483 14 HE1 PHE 2 HE1 PHE 2 12.977 23.071 10.501 15 HE2 PHE 2 HE2 PHE 2 13.829 27.171 9.517 16 HZ PHE 2 HZ PHE 2 12.645 25.046 9.018 17 H CYS 3 H CYS 3 16.903 23.871 15.490 18 HA CYS 3 HA CYS 3 17.410 25.060 18.098 19 HB2 CYS 3 HB2 CYS 3 19.399 23.157 17.447 20 HB3 CYS 3 HB3 CYS 3 18.090 23.017 18.573 21 H ASN 4 H ASN 4 19.522 25.638 18.733 22 HA ASN 4 HA ASN 4 20.882 27.511 16.934 23 HB2 ASN 4 HB2 ASN 4 21.435 26.683 19.810 24 HB3 ASN 4 HB3 ASN 4 22.432 27.822 18.930 25 HD21 ASN 4 HD21 ASN 4 19.987 30.432 18.916 26 HD22 ASN 4 HD22 ASN 4 21.289 29.788 17.945 27 H LEU 5 H LEU 5 21.235 25.548 15.399 28 HA LEU 5 HA LEU 5 23.170 23.566 15.762 29 HB2 LEU 5 HB2 LEU 5 21.582 23.646 13.929 30 HB3 LEU 5 HB3 LEU 5 22.346 25.092 13.276 31 HG LEU 5 HG LEU 5 24.385 23.842 12.751 32 HD11 LEU 5 HD11 LEU 5 22.908 21.397 13.845 33 HD12 LEU 5 HD12 LEU 5 24.416 21.352 12.903 34 HD13 LEU 5 HD13 LEU 5 24.409 22.107 14.495 35 HD21 LEU 5 HD21 LEU 5 22.520 23.932 11.115 36 HD22 LEU 5 HD22 LEU 5 23.460 22.441 10.963 37 HD23 LEU 5 HD23 LEU 5 21.880 22.402 11.772 38 H ARG 6 H ARG 6 23.717 26.989 14.791 39 HA ARG 6 HA ARG 6 26.554 26.612 14.223 40 HB2 ARG 6 HB2 ARG 6 24.838 29.089 14.623 41 HB3 ARG 6 HB3 ARG 6 26.549 29.134 14.225 42 HG2 ARG 6 HG2 ARG 6 26.169 27.826 12.178 43 HG3 ARG 6 HG3 ARG 6 24.428 27.773 12.502 44 HD2 ARG 6 HD2 ARG 6 26.043 30.338 12.115 45 HD3 ARG 6 HD3 ARG 6 25.169 29.510 10.843 46 HE ARG 6 HE ARG 6 23.064 30.028 11.879 47 HH11 ARG 6 HH11 ARG 6 25.707 31.678 13.593 48 HH12 ARG 6 HH12 ARG 6 24.568 32.818 14.273 49 HH21 ARG 6 HH21 ARG 6 21.792 31.379 12.889 50 HH22 ARG 6 HH22 ARG 6 22.407 32.509 14.077 51 H ARG 7 H ARG 7 24.949 26.848 17.218 52 HA ARG 7 HA ARG 7 27.499 27.559 18.647 53 HB2 ARG 7 HB2 ARG 7 24.739 27.025 19.828 54 HB3 ARG 7 HB3 ARG 7 26.187 27.571 20.675 55 HG2 ARG 7 HG2 ARG 7 26.102 29.622 19.028 56 HG3 ARG 7 HG3 ARG 7 24.443 29.096 18.703 57 HD2 ARG 7 HD2 ARG 7 24.236 30.670 20.463 58 HD3 ARG 7 HD3 ARG 7 24.119 29.099 21.274 59 HE ARG 7 HE ARG 7 26.874 29.896 21.199 60 HH11 ARG 7 HH11 ARG 7 23.964 30.789 22.992 61 HH12 ARG 7 HH12 ARG 7 24.953 31.738 24.119 62 HH21 ARG 7 HH21 ARG 7 27.919 30.829 22.786 63 HH22 ARG 7 HH22 ARG 7 27.032 31.714 24.059 64 H CYS 8 H CYS 8 25.076 25.026 18.294 65 HA CYS 8 HA CYS 8 26.188 22.971 19.869 66 HB2 CYS 8 HB2 CYS 8 23.959 22.932 19.007 67 HB3 CYS 8 HB3 CYS 8 24.533 23.115 17.358 68 H GLU 9 H GLU 9 26.901 23.769 16.414 69 HA GLU 9 HA GLU 9 28.749 21.683 15.930 70 HB2 GLU 9 HB2 GLU 9 28.521 24.527 14.872 71 HB3 GLU 9 HB3 GLU 9 29.830 23.442 14.378 72 HG2 GLU 9 HG2 GLU 9 28.082 21.720 13.751 73 HG3 GLU 9 HG3 GLU 9 26.858 22.965 13.953 74 H LEU 10 H LEU 10 29.356 24.835 17.552 75 HA LEU 10 HA LEU 10 32.190 24.444 17.864 76 HB2 LEU 10 HB2 LEU 10 30.392 26.083 19.679 77 HB3 LEU 10 HB3 LEU 10 32.107 26.305 19.375 78 HG LEU 10 HG LEU 10 29.892 26.778 17.336 79 HD11 LEU 10 HD11 LEU 10 29.822 28.392 19.191 80 HD12 LEU 10 HD12 LEU 10 31.543 28.762 18.941 81 HD13 LEU 10 HD13 LEU 10 30.349 29.159 17.685 82 HD21 LEU 10 HD21 LEU 10 32.080 26.210 16.280 83 HD22 LEU 10 HD22 LEU 10 31.602 27.889 15.990 84 HD23 LEU 10 HD23 LEU 10 32.837 27.523 17.210 85 H SER 11 H SER 11 29.387 23.778 20.000 86 HA SER 11 HA SER 11 30.716 22.750 22.261 87 HB2 SER 11 HB2 SER 11 28.111 21.658 21.143 88 HB3 SER 11 HB3 SER 11 28.644 21.641 22.807 89 HG SER 11 HG SER 11 27.041 23.240 22.079 90 H CYS 12 H CYS 12 29.598 20.977 19.339 91 HA CYS 12 HA CYS 12 30.598 18.420 20.311 92 HB2 CYS 12 HB2 CYS 12 29.541 19.190 17.561 93 HB3 CYS 12 HB3 CYS 12 29.896 17.553 18.140 94 H ARG 13 H ARG 13 31.841 20.925 18.063 95 HA ARG 13 HA ARG 13 34.034 19.394 17.048 96 HB2 ARG 13 HB2 ARG 13 33.192 21.554 16.116 97 HB3 ARG 13 HB3 ARG 13 33.821 22.397 17.518 98 HG2 ARG 13 HG2 ARG 13 35.335 22.704 15.689 99 HG3 ARG 13 HG3 ARG 13 36.137 21.653 16.848 100 HD2 ARG 13 HD2 ARG 13 36.561 20.850 14.621 101 HD3 ARG 13 HD3 ARG 13 35.516 19.680 15.438 102 HE ARG 13 HE ARG 13 33.988 21.645 13.932 103 HH11 ARG 13 HH11 ARG 13 36.034 18.847 13.326 104 HH12 ARG 13 HH12 ARG 13 35.193 18.446 11.843 105 HH21 ARG 13 HH21 ARG 13 32.892 21.015 12.094 106 HH22 ARG 13 HH22 ARG 13 33.619 19.800 11.074 107 H SER 14 H SER 14 33.601 21.032 20.150 108 HA SER 14 HA SER 14 36.367 20.685 20.979 109 HB2 SER 14 HB2 SER 14 34.832 22.348 21.994 110 HB3 SER 14 HB3 SER 14 33.871 21.023 22.682 111 HG SER 14 HG SER 14 36.620 21.619 23.194 112 H LEU 15 H LEU 15 33.655 18.502 20.884 113 HA LEU 15 HA LEU 15 35.030 16.391 22.420 114 HB2 LEU 15 HB2 LEU 15 32.451 16.290 20.825 115 HB3 LEU 15 HB3 LEU 15 33.027 15.080 21.959 116 HG LEU 15 HG LEU 15 32.129 17.915 22.647 117 HD11 LEU 15 HD11 LEU 15 30.301 16.407 21.951 118 HD12 LEU 15 HD12 LEU 15 30.817 15.220 23.169 119 HD13 LEU 15 HD13 LEU 15 30.202 16.810 23.671 120 HD21 LEU 15 HD21 LEU 15 33.816 17.153 24.262 121 HD22 LEU 15 HD22 LEU 15 32.210 17.134 25.003 122 HD23 LEU 15 HD23 LEU 15 32.943 15.612 24.453 123 H GLY 16 H GLY 16 35.446 17.661 19.383 124 HA2 GLY 16 HA2 GLY 16 36.705 16.928 17.590 125 HA3 GLY 16 HA3 GLY 16 36.750 15.292 18.253 126 H LEU 17 H LEU 17 33.640 16.920 17.846 127 HA LEU 17 HA LEU 17 32.978 15.037 15.605 128 HB2 LEU 17 HB2 LEU 17 30.855 15.747 17.568 129 HB3 LEU 17 HB3 LEU 17 31.040 14.296 16.604 130 HG LEU 17 HG LEU 17 32.594 15.048 19.025 131 HD11 LEU 17 HD11 LEU 17 30.405 14.676 19.779 132 HD12 LEU 17 HD12 LEU 17 30.236 13.192 18.794 133 HD13 LEU 17 HD13 LEU 17 31.321 13.232 20.200 134 HD21 LEU 17 HD21 LEU 17 33.777 13.347 17.525 135 HD22 LEU 17 HD22 LEU 17 33.352 12.665 19.098 136 HD23 LEU 17 HD23 LEU 17 32.358 12.303 17.670 137 H LEU 18 H LEU 18 30.805 15.434 14.816 138 HA LEU 18 HA LEU 18 30.359 18.258 13.968 139 HB2 LEU 18 HB2 LEU 18 29.719 15.570 12.810 140 HB3 LEU 18 HB3 LEU 18 28.550 16.853 12.541 141 HG LEU 18 HG LEU 18 30.139 16.581 10.703 142 HD11 LEU 18 HD11 LEU 18 29.043 18.756 11.077 143 HD12 LEU 18 HD12 LEU 18 30.426 19.283 12.065 144 HD13 LEU 18 HD13 LEU 18 30.640 18.932 10.346 145 HD21 LEU 18 HD21 LEU 18 32.453 17.316 10.850 146 HD22 LEU 18 HD22 LEU 18 32.281 17.676 12.578 147 HD23 LEU 18 HD23 LEU 18 32.180 16.000 11.998 148 H GLY 19 H GLY 19 28.145 19.017 13.940 149 HA2 GLY 19 HA2 GLY 19 26.505 18.079 16.268 150 HA3 GLY 19 HA3 GLY 19 26.493 19.711 15.633 151 H GLU 20 H GLU 20 24.243 17.948 16.013 152 HA GLU 20 HA GLU 20 23.062 18.135 13.293 153 HB2 GLU 20 HB2 GLU 20 23.922 15.823 13.607 154 HB3 GLU 20 HB3 GLU 20 22.903 15.660 15.041 155 HG2 GLU 20 HG2 GLU 20 21.254 14.934 13.701 156 HG3 GLU 20 HG3 GLU 20 21.107 16.541 13.058 157 H CYS 21 H CYS 21 21.261 19.278 13.390 158 HA CYS 21 HA CYS 21 19.803 19.639 15.962 159 HB2 CYS 21 HB2 CYS 21 20.584 21.680 15.116 160 HB3 CYS 21 HB3 CYS 21 20.136 21.263 13.458 161 H ILE 22 H ILE 22 18.046 18.485 16.288 162 HA ILE 22 HA ILE 22 16.096 17.948 14.112 163 HB ILE 22 HB ILE 22 17.198 15.840 16.007 164 HG12 ILE 22 HG12 ILE 22 18.778 16.240 14.156 165 HG13 ILE 22 HG13 ILE 22 18.077 14.643 14.149 166 HG21 ILE 22 HG21 ILE 22 14.848 15.413 15.697 167 HG22 ILE 22 HG22 ILE 22 14.966 15.664 13.947 168 HG23 ILE 22 HG23 ILE 22 15.735 14.260 14.697 169 HD11 ILE 22 HD11 ILE 22 17.105 16.878 12.320 170 HD12 ILE 22 HD12 ILE 22 18.304 15.647 11.879 171 HD13 ILE 22 HD13 ILE 22 16.647 15.162 12.272 172 H GLY 23 H GLY 23 14.112 18.467 14.776 173 HA2 GLY 23 HA2 GLY 23 12.307 18.987 16.098 174 HA3 GLY 23 HA3 GLY 23 12.850 17.652 17.126 175 H GLU 24 H GLU 24 14.378 20.846 16.553 176 HA GLU 24 HA GLU 24 15.153 22.461 17.898 177 HB2 GLU 24 HB2 GLU 24 12.942 21.776 19.844 178 HB3 GLU 24 HB3 GLU 24 13.867 23.269 19.795 179 HG2 GLU 24 HG2 GLU 24 12.888 23.900 17.663 180 HG3 GLU 24 HG3 GLU 24 11.980 22.379 17.592 181 H GLU 25 H GLU 25 16.067 19.517 18.505 182 HA GLU 25 HA GLU 25 17.810 20.431 20.768 183 HB2 GLU 25 HB2 GLU 25 16.992 17.567 20.212 184 HB3 GLU 25 HB3 GLU 25 18.115 18.098 21.448 185 HG2 GLU 25 HG2 GLU 25 15.137 18.723 21.355 186 HG3 GLU 25 HG3 GLU 25 15.908 17.502 22.356 187 H CYS 26 H CYS 26 20.020 20.127 20.491 188 HA CYS 26 HA CYS 26 20.846 19.070 17.837 189 HB2 CYS 26 HB2 CYS 26 20.812 21.499 17.868 190 HB3 CYS 26 HB3 CYS 26 22.046 21.488 19.141 191 H LYS 27 H LYS 27 21.528 17.185 18.283 192 HA LYS 27 HA LYS 27 23.393 16.506 20.479 193 HB2 LYS 27 HB2 LYS 27 22.029 14.928 18.239 194 HB3 LYS 27 HB3 LYS 27 23.089 14.193 19.431 195 HG2 LYS 27 HG2 LYS 27 20.506 15.671 20.152 196 HG3 LYS 27 HG3 LYS 27 20.652 13.927 19.913 197 HD2 LYS 27 HD2 LYS 27 22.321 13.784 21.689 198 HD3 LYS 27 HD3 LYS 27 22.174 15.525 22.022 199 HE2 LYS 27 HE2 LYS 27 19.828 15.247 22.624 200 HE3 LYS 27 HE3 LYS 27 19.877 13.536 22.176 201 HZ1 LYS 27 HZ1 LYS 27 21.411 14.766 24.391 202 HZ2 LYS 27 HZ2 LYS 27 20.104 13.794 24.548 203 HZ3 LYS 27 HZ3 LYS 27 21.500 13.175 23.949 204 H CYS 28 H CYS 28 25.265 15.065 19.832 205 HA CYS 28 HA CYS 28 26.727 16.216 17.486 206 HB2 CYS 28 HB2 CYS 28 27.795 14.460 19.702 207 HB3 CYS 28 HB3 CYS 28 28.716 15.354 18.498 208 H VAL 29 H VAL 29 27.982 14.728 16.139 209 HA VAL 29 HA VAL 29 26.804 12.023 15.806 210 HB VAL 29 HB VAL 29 26.691 12.578 13.271 211 HG11 VAL 29 HG11 VAL 29 24.392 13.266 13.407 212 HG12 VAL 29 HG12 VAL 29 24.727 12.031 14.621 213 HG13 VAL 29 HG13 VAL 29 24.578 13.735 15.113 214 HG21 VAL 29 HG21 VAL 29 27.706 14.803 13.374 215 HG22 VAL 29 HG22 VAL 29 26.073 14.875 12.709 216 HG23 VAL 29 HG23 VAL 29 26.358 15.405 14.367 217 HA PRO 30 HA PRO 30 30.922 10.823 14.851 218 HB2 PRO 30 HB2 PRO 30 30.524 8.403 13.658 219 HB3 PRO 30 HB3 PRO 30 30.113 8.707 15.375 220 HG2 PRO 30 HG2 PRO 30 28.267 8.783 12.959 221 HG3 PRO 30 HG3 PRO 30 28.025 7.911 14.512 222 HD2 PRO 30 HD2 PRO 30 26.928 10.350 14.059 223 HD3 PRO 30 HD3 PRO 30 27.568 9.913 15.670 224 H TYR 31 H TYR 31 28.960 11.811 12.355 225 HA TYR 31 HA TYR 31 29.847 10.881 9.950 226 HB2 TYR 31 HB2 TYR 31 29.194 13.777 10.577 227 HB3 TYR 31 HB3 TYR 31 29.109 13.022 8.996 228 HD1 TYR 31 HD1 TYR 31 26.963 14.626 10.299 229 HD2 TYR 31 HD2 TYR 31 27.663 10.365 10.334 230 HE1 TYR 31 HE1 TYR 31 24.534 14.226 10.489 231 HE2 TYR 31 HE2 TYR 31 25.218 9.981 10.559 232 HH TYR 31 HH TYR 31 22.918 12.699 10.941 Start of MODEL 11 1 H1 ALA 1 H1 ALA 1 14.015 24.825 25.025 2 H2 ALA 1 H2 ALA 1 12.517 24.464 24.417 3 H3 ALA 1 H3 ALA 1 13.207 25.942 24.158 4 HA ALA 1 HA ALA 1 14.334 23.433 23.155 5 HB1 ALA 1 HB1 ALA 1 12.210 23.760 22.028 6 HB2 ALA 1 HB2 ALA 1 12.583 25.468 21.716 7 HB3 ALA 1 HB3 ALA 1 13.512 24.177 20.909 8 H PHE 2 H PHE 2 16.275 23.605 22.329 9 HA PHE 2 HA PHE 2 17.530 26.272 21.893 10 HB2 PHE 2 HB2 PHE 2 18.679 24.108 23.678 11 HB3 PHE 2 HB3 PHE 2 19.335 25.716 23.381 12 HD1 PHE 2 HD1 PHE 2 17.119 23.736 25.451 13 HD2 PHE 2 HD2 PHE 2 17.899 27.756 24.091 14 HE1 PHE 2 HE1 PHE 2 15.631 24.619 27.219 15 HE2 PHE 2 HE2 PHE 2 16.406 28.638 25.858 16 HZ PHE 2 HZ PHE 2 15.264 27.081 27.428 17 H CYS 3 H CYS 3 16.825 24.745 19.811 18 HA CYS 3 HA CYS 3 18.874 22.796 19.043 19 HB2 CYS 3 HB2 CYS 3 16.239 22.857 18.683 20 HB3 CYS 3 HB3 CYS 3 16.674 23.666 17.190 21 H ASN 4 H ASN 4 20.041 25.224 19.420 22 HA ASN 4 HA ASN 4 20.197 26.824 16.991 23 HB2 ASN 4 HB2 ASN 4 21.656 27.093 19.637 24 HB3 ASN 4 HB3 ASN 4 21.473 28.324 18.375 25 HD21 ASN 4 HD21 ASN 4 18.015 28.961 19.219 26 HD22 ASN 4 HD22 ASN 4 19.084 28.905 17.825 27 H LEU 5 H LEU 5 20.944 25.206 15.594 28 HA LEU 5 HA LEU 5 23.001 23.482 15.802 29 HB2 LEU 5 HB2 LEU 5 21.382 23.515 14.003 30 HB3 LEU 5 HB3 LEU 5 22.028 25.032 13.381 31 HG LEU 5 HG LEU 5 24.120 23.947 12.736 32 HD11 LEU 5 HD11 LEU 5 24.296 21.451 12.805 33 HD12 LEU 5 HD12 LEU 5 24.334 22.165 14.415 34 HD13 LEU 5 HD13 LEU 5 22.838 21.411 13.821 35 HD21 LEU 5 HD21 LEU 5 22.226 23.957 11.155 36 HD22 LEU 5 HD22 LEU 5 23.220 22.506 10.963 37 HD23 LEU 5 HD23 LEU 5 21.659 22.401 11.802 38 H ARG 6 H ARG 6 23.459 26.894 14.715 39 HA ARG 6 HA ARG 6 26.215 26.655 14.029 40 HB2 ARG 6 HB2 ARG 6 24.499 28.980 14.986 41 HB3 ARG 6 HB3 ARG 6 26.215 29.189 14.585 42 HG2 ARG 6 HG2 ARG 6 25.893 28.360 12.345 43 HG3 ARG 6 HG3 ARG 6 24.195 27.957 12.655 44 HD2 ARG 6 HD2 ARG 6 23.591 30.273 12.876 45 HD3 ARG 6 HD3 ARG 6 25.294 30.779 12.884 46 HE ARG 6 HE ARG 6 24.787 29.329 10.482 47 HH11 ARG 6 HH11 ARG 6 23.764 32.434 11.840 48 HH12 ARG 6 HH12 ARG 6 23.894 33.205 10.248 49 HH21 ARG 6 HH21 ARG 6 25.089 30.554 8.586 50 HH22 ARG 6 HH22 ARG 6 24.549 32.229 8.599 51 H ARG 7 H ARG 7 24.817 27.094 17.228 52 HA ARG 7 HA ARG 7 27.439 27.308 18.604 53 HB2 ARG 7 HB2 ARG 7 24.531 27.166 19.516 54 HB3 ARG 7 HB3 ARG 7 25.888 27.076 20.646 55 HG2 ARG 7 HG2 ARG 7 26.727 29.213 19.949 56 HG3 ARG 7 HG3 ARG 7 25.542 29.375 18.661 57 HD2 ARG 7 HD2 ARG 7 24.572 29.009 21.506 58 HD3 ARG 7 HD3 ARG 7 25.210 30.577 21.000 59 HE ARG 7 HE ARG 7 23.525 30.327 19.021 60 HH11 ARG 7 HH11 ARG 7 22.657 29.184 22.283 61 HH12 ARG 7 HH12 ARG 7 21.058 29.841 22.068 62 HH21 ARG 7 HH21 ARG 7 21.336 30.917 18.928 63 HH22 ARG 7 HH22 ARG 7 20.384 30.714 20.386 64 H CYS 8 H CYS 8 24.956 24.866 18.021 65 HA CYS 8 HA CYS 8 26.092 22.808 19.641 66 HB2 CYS 8 HB2 CYS 8 24.429 22.516 17.120 67 HB3 CYS 8 HB3 CYS 8 24.674 21.300 18.373 68 H GLU 9 H GLU 9 26.748 23.644 16.212 69 HA GLU 9 HA GLU 9 28.517 21.563 15.491 70 HB2 GLU 9 HB2 GLU 9 28.525 24.533 14.828 71 HB3 GLU 9 HB3 GLU 9 29.661 23.389 14.115 72 HG2 GLU 9 HG2 GLU 9 27.809 22.087 13.152 73 HG3 GLU 9 HG3 GLU 9 26.639 23.214 13.815 74 H LEU 10 H LEU 10 29.402 24.697 17.050 75 HA LEU 10 HA LEU 10 32.150 23.858 17.404 76 HB2 LEU 10 HB2 LEU 10 32.444 26.001 18.538 77 HB3 LEU 10 HB3 LEU 10 31.733 26.097 16.942 78 HG LEU 10 HG LEU 10 29.455 26.326 18.161 79 HD11 LEU 10 HD11 LEU 10 30.249 25.832 20.496 80 HD12 LEU 10 HD12 LEU 10 31.329 27.237 20.399 81 HD13 LEU 10 HD13 LEU 10 29.567 27.440 20.350 82 HD21 LEU 10 HD21 LEU 10 29.752 28.736 18.359 83 HD22 LEU 10 HD22 LEU 10 31.521 28.541 18.267 84 HD23 LEU 10 HD23 LEU 10 30.490 28.106 16.880 85 H SER 11 H SER 11 29.311 23.624 19.459 86 HA SER 11 HA SER 11 30.702 22.945 21.876 87 HB2 SER 11 HB2 SER 11 28.262 23.546 21.670 88 HB3 SER 11 HB3 SER 11 27.975 21.923 21.013 89 HG SER 11 HG SER 11 28.867 22.729 23.572 90 H CYS 12 H CYS 12 29.512 20.844 19.201 91 HA CYS 12 HA CYS 12 30.614 18.412 20.404 92 HB2 CYS 12 HB2 CYS 12 29.630 18.918 17.583 93 HB3 CYS 12 HB3 CYS 12 30.028 17.345 18.291 94 H ARG 13 H ARG 13 31.778 20.851 18.094 95 HA ARG 13 HA ARG 13 34.114 19.580 17.080 96 HB2 ARG 13 HB2 ARG 13 33.193 21.801 16.451 97 HB3 ARG 13 HB3 ARG 13 33.860 22.462 17.958 98 HG2 ARG 13 HG2 ARG 13 36.122 21.876 17.271 99 HG3 ARG 13 HG3 ARG 13 35.527 21.056 15.816 100 HD2 ARG 13 HD2 ARG 13 35.120 23.967 16.507 101 HD3 ARG 13 HD3 ARG 13 36.396 23.364 15.421 102 HE ARG 13 HE ARG 13 34.354 22.389 14.092 103 HH11 ARG 13 HH11 ARG 13 34.677 25.632 15.371 104 HH12 ARG 13 HH12 ARG 13 33.489 26.281 14.255 105 HH21 ARG 13 HH21 ARG 13 32.674 23.216 12.868 106 HH22 ARG 13 HH22 ARG 13 32.380 24.928 12.870 107 H SER 14 H SER 14 33.481 20.958 20.292 108 HA SER 14 HA SER 14 36.221 20.545 21.182 109 HB2 SER 14 HB2 SER 14 33.678 21.492 22.443 110 HB3 SER 14 HB3 SER 14 34.895 20.789 23.525 111 HG SER 14 HG SER 14 35.418 22.831 21.592 112 H LEU 15 H LEU 15 33.624 18.308 20.858 113 HA LEU 15 HA LEU 15 34.986 16.285 22.566 114 HB2 LEU 15 HB2 LEU 15 32.469 16.163 20.863 115 HB3 LEU 15 HB3 LEU 15 33.094 14.834 21.837 116 HG LEU 15 HG LEU 15 32.147 17.513 22.956 117 HD11 LEU 15 HD11 LEU 15 30.312 16.212 21.956 118 HD12 LEU 15 HD12 LEU 15 30.783 14.794 22.924 119 HD13 LEU 15 HD13 LEU 15 30.186 16.267 23.725 120 HD21 LEU 15 HD21 LEU 15 32.137 16.286 25.118 121 HD22 LEU 15 HD22 LEU 15 32.896 14.894 24.325 122 HD23 LEU 15 HD23 LEU 15 33.770 16.441 24.458 123 H GLY 16 H GLY 16 35.361 17.608 19.522 124 HA2 GLY 16 HA2 GLY 16 36.785 16.992 17.800 125 HA3 GLY 16 HA3 GLY 16 36.888 15.346 18.427 126 H LEU 17 H LEU 17 33.672 16.721 17.998 127 HA LEU 17 HA LEU 17 33.249 14.853 15.674 128 HB2 LEU 17 HB2 LEU 17 31.005 15.523 17.545 129 HB3 LEU 17 HB3 LEU 17 31.233 14.101 16.541 130 HG LEU 17 HG LEU 17 32.647 14.787 19.081 131 HD11 LEU 17 HD11 LEU 17 31.387 12.832 20.045 132 HD12 LEU 17 HD12 LEU 17 30.432 14.253 19.652 133 HD13 LEU 17 HD13 LEU 17 30.404 12.831 18.567 134 HD21 LEU 17 HD21 LEU 17 32.680 12.134 17.538 135 HD22 LEU 17 HD22 LEU 17 34.040 13.264 17.593 136 HD23 LEU 17 HD23 LEU 17 33.521 12.444 19.069 137 H LEU 18 H LEU 18 30.869 15.302 14.893 138 HA LEU 18 HA LEU 18 30.635 18.177 14.093 139 HB2 LEU 18 HB2 LEU 18 29.316 15.750 12.855 140 HB3 LEU 18 HB3 LEU 18 28.987 17.411 12.435 141 HG LEU 18 HG LEU 18 30.345 16.665 10.747 142 HD11 LEU 18 HD11 LEU 18 32.381 17.941 10.795 143 HD12 LEU 18 HD12 LEU 18 31.092 18.856 11.595 144 HD13 LEU 18 HD13 LEU 18 32.344 18.038 12.562 145 HD21 LEU 18 HD21 LEU 18 32.403 15.549 12.664 146 HD22 LEU 18 HD22 LEU 18 31.140 14.587 11.866 147 HD23 LEU 18 HD23 LEU 18 32.377 15.417 10.899 148 H GLY 19 H GLY 19 28.483 19.031 14.097 149 HA2 GLY 19 HA2 GLY 19 26.774 18.018 16.353 150 HA3 GLY 19 HA3 GLY 19 27.121 19.726 16.164 151 H GLU 20 H GLU 20 24.567 18.182 16.130 152 HA GLU 20 HA GLU 20 23.412 19.130 13.558 153 HB2 GLU 20 HB2 GLU 20 24.175 16.783 13.306 154 HB3 GLU 20 HB3 GLU 20 23.254 16.328 14.738 155 HG2 GLU 20 HG2 GLU 20 22.028 15.658 12.816 156 HG3 GLU 20 HG3 GLU 20 21.147 16.979 13.566 157 H CYS 21 H CYS 21 21.240 19.760 13.730 158 HA CYS 21 HA CYS 21 20.027 19.799 16.466 159 HB2 CYS 21 HB2 CYS 21 20.081 21.987 15.705 160 HB3 CYS 21 HB3 CYS 21 19.757 21.536 14.035 161 H ILE 22 H ILE 22 18.368 18.446 16.936 162 HA ILE 22 HA ILE 22 16.678 17.402 14.716 163 HB ILE 22 HB ILE 22 17.647 15.762 17.059 164 HG12 ILE 22 HG12 ILE 22 19.390 15.969 15.318 165 HG13 ILE 22 HG13 ILE 22 18.758 14.351 15.510 166 HG21 ILE 22 HG21 ILE 22 15.655 15.133 14.830 167 HG22 ILE 22 HG22 ILE 22 16.376 13.912 15.893 168 HG23 ILE 22 HG23 ILE 22 15.347 15.164 16.577 169 HD11 ILE 22 HD11 ILE 22 17.483 14.501 13.436 170 HD12 ILE 22 HD12 ILE 22 17.973 16.195 13.229 171 HD13 ILE 22 HD13 ILE 22 19.182 14.906 13.151 172 H GLY 23 H GLY 23 14.876 18.355 14.899 173 HA2 GLY 23 HA2 GLY 23 12.871 19.144 15.739 174 HA3 GLY 23 HA3 GLY 23 13.094 18.077 17.114 175 H GLU 24 H GLU 24 13.576 18.940 19.038 176 HA GLU 24 HA GLU 24 13.879 21.890 19.261 177 HB2 GLU 24 HB2 GLU 24 12.886 21.697 21.420 178 HB3 GLU 24 HB3 GLU 24 11.868 20.886 20.234 179 HG2 GLU 24 HG2 GLU 24 12.730 18.689 21.010 180 HG3 GLU 24 HG3 GLU 24 13.765 19.504 22.187 181 H GLU 25 H GLU 25 15.976 19.219 19.542 182 HA GLU 25 HA GLU 25 17.825 20.713 21.297 183 HB2 GLU 25 HB2 GLU 25 16.472 19.338 22.799 184 HB3 GLU 25 HB3 GLU 25 16.689 17.938 21.765 185 HG2 GLU 25 HG2 GLU 25 18.045 17.631 23.660 186 HG3 GLU 25 HG3 GLU 25 19.087 17.905 22.274 187 H CYS 26 H CYS 26 19.977 20.381 20.858 188 HA CYS 26 HA CYS 26 20.626 19.077 18.335 189 HB2 CYS 26 HB2 CYS 26 22.256 20.547 20.421 190 HB3 CYS 26 HB3 CYS 26 22.936 19.884 18.940 191 H LYS 27 H LYS 27 22.396 17.652 18.047 192 HA LYS 27 HA LYS 27 23.335 15.974 20.299 193 HB2 LYS 27 HB2 LYS 27 22.994 13.952 19.055 194 HB3 LYS 27 HB3 LYS 27 21.445 14.756 19.318 195 HG2 LYS 27 HG2 LYS 27 21.508 15.606 16.967 196 HG3 LYS 27 HG3 LYS 27 23.053 14.776 16.710 197 HD2 LYS 27 HD2 LYS 27 20.460 13.422 17.515 198 HD3 LYS 27 HD3 LYS 27 21.069 13.520 15.849 199 HE2 LYS 27 HE2 LYS 27 23.074 12.246 16.474 200 HE3 LYS 27 HE3 LYS 27 22.553 12.200 18.165 201 HZ1 LYS 27 HZ1 LYS 27 21.994 10.148 16.933 202 HZ2 LYS 27 HZ2 LYS 27 20.679 10.873 17.569 203 HZ3 LYS 27 HZ3 LYS 27 21.012 10.994 15.940 204 H CYS 28 H CYS 28 25.185 14.555 19.516 205 HA CYS 28 HA CYS 28 26.817 15.980 17.438 206 HB2 CYS 28 HB2 CYS 28 27.839 14.194 19.653 207 HB3 CYS 28 HB3 CYS 28 28.788 15.132 18.493 208 H VAL 29 H VAL 29 27.978 14.726 15.937 209 HA VAL 29 HA VAL 29 27.140 11.918 15.530 210 HB VAL 29 HB VAL 29 26.560 12.483 13.117 211 HG11 VAL 29 HG11 VAL 29 24.604 13.558 15.164 212 HG12 VAL 29 HG12 VAL 29 24.265 12.911 13.537 213 HG13 VAL 29 HG13 VAL 29 24.871 11.831 14.800 214 HG21 VAL 29 HG21 VAL 29 26.303 15.308 14.238 215 HG22 VAL 29 HG22 VAL 29 27.336 14.744 12.899 216 HG23 VAL 29 HG23 VAL 29 25.578 14.739 12.738 217 HA PRO 30 HA PRO 30 31.157 11.836 13.473 218 HB2 PRO 30 HB2 PRO 30 31.259 9.256 12.756 219 HB3 PRO 30 HB3 PRO 30 31.118 9.701 14.484 220 HG2 PRO 30 HG2 PRO 30 28.900 8.864 12.569 221 HG3 PRO 30 HG3 PRO 30 29.241 8.226 14.207 222 HD2 PRO 30 HD2 PRO 30 27.406 10.246 13.705 223 HD3 PRO 30 HD3 PRO 30 28.316 10.091 15.240 224 H TYR 31 H TYR 31 28.233 11.630 11.750 225 HA TYR 31 HA TYR 31 27.476 11.203 9.689 226 HB2 TYR 31 HB2 TYR 31 29.743 13.102 9.116 227 HB3 TYR 31 HB3 TYR 31 28.482 12.658 7.977 228 HD1 TYR 31 HD1 TYR 31 29.368 15.413 9.070 229 HD2 TYR 31 HD2 TYR 31 26.030 12.801 9.919 230 HE1 TYR 31 HE1 TYR 31 27.960 17.383 9.649 231 HE2 TYR 31 HE2 TYR 31 24.624 14.772 10.418 232 HH TYR 31 HH TYR 31 24.506 17.091 10.542 Start of MODEL 12 1 H1 ALA 1 H1 ALA 1 14.697 22.259 23.465 2 H2 ALA 1 H2 ALA 1 13.741 23.452 24.089 3 H3 ALA 1 H3 ALA 1 14.372 22.330 25.098 4 HA ALA 1 HA ALA 1 15.578 24.353 25.312 5 HB1 ALA 1 HB1 ALA 1 17.226 22.275 23.816 6 HB2 ALA 1 HB2 ALA 1 17.836 23.502 24.933 7 HB3 ALA 1 HB3 ALA 1 16.817 22.187 25.541 8 H PHE 2 H PHE 2 17.374 25.702 24.216 9 HA PHE 2 HA PHE 2 16.481 26.748 21.645 10 HB2 PHE 2 HB2 PHE 2 19.050 27.363 23.119 11 HB3 PHE 2 HB3 PHE 2 18.253 28.325 21.893 12 HD1 PHE 2 HD1 PHE 2 19.182 28.970 24.862 13 HD2 PHE 2 HD2 PHE 2 15.366 28.135 23.017 14 HE1 PHE 2 HE1 PHE 2 18.030 30.217 26.673 15 HE2 PHE 2 HE2 PHE 2 14.220 29.350 24.820 16 HZ PHE 2 HZ PHE 2 15.545 30.401 26.662 17 H CYS 3 H CYS 3 16.793 25.516 19.887 18 HA CYS 3 HA CYS 3 19.033 23.601 19.709 19 HB2 CYS 3 HB2 CYS 3 16.583 23.109 19.409 20 HB3 CYS 3 HB3 CYS 3 16.644 23.954 17.881 21 H ASN 4 H ASN 4 20.466 25.620 19.559 22 HA ASN 4 HA ASN 4 20.568 27.012 16.970 23 HB2 ASN 4 HB2 ASN 4 22.290 27.137 19.488 24 HB3 ASN 4 HB3 ASN 4 22.478 28.200 18.089 25 HD21 ASN 4 HD21 ASN 4 19.508 30.051 18.775 26 HD22 ASN 4 HD22 ASN 4 20.689 29.628 17.532 27 H LEU 5 H LEU 5 21.189 25.528 15.344 28 HA LEU 5 HA LEU 5 23.069 23.501 15.583 29 HB2 LEU 5 HB2 LEU 5 21.517 23.744 13.702 30 HB3 LEU 5 HB3 LEU 5 22.350 25.210 13.169 31 HG LEU 5 HG LEU 5 24.379 23.915 12.668 32 HD11 LEU 5 HD11 LEU 5 24.147 22.025 14.252 33 HD12 LEU 5 HD12 LEU 5 22.694 21.474 13.377 34 HD13 LEU 5 HD13 LEU 5 24.290 21.442 12.595 35 HD21 LEU 5 HD21 LEU 5 22.681 24.282 10.923 36 HD22 LEU 5 HD22 LEU 5 23.500 22.732 10.699 37 HD23 LEU 5 HD23 LEU 5 21.861 22.775 11.385 38 H ARG 6 H ARG 6 23.788 26.929 14.683 39 HA ARG 6 HA ARG 6 26.573 26.458 14.168 40 HB2 ARG 6 HB2 ARG 6 25.079 28.997 14.921 41 HB3 ARG 6 HB3 ARG 6 26.782 28.952 14.422 42 HG2 ARG 6 HG2 ARG 6 26.115 27.864 12.286 43 HG3 ARG 6 HG3 ARG 6 24.424 27.998 12.732 44 HD2 ARG 6 HD2 ARG 6 26.346 30.304 12.233 45 HD3 ARG 6 HD3 ARG 6 25.095 29.732 11.149 46 HE ARG 6 HE ARG 6 23.372 30.574 12.581 47 HH11 ARG 6 HH11 ARG 6 26.575 31.807 13.581 48 HH12 ARG 6 HH12 ARG 6 25.757 33.125 14.431 49 HH21 ARG 6 HH21 ARG 6 22.608 32.247 13.738 50 HH22 ARG 6 HH22 ARG 6 23.737 33.331 14.545 51 H ARG 7 H ARG 7 24.967 27.067 17.235 52 HA ARG 7 HA ARG 7 27.486 27.296 18.788 53 HB2 ARG 7 HB2 ARG 7 24.581 26.984 19.666 54 HB3 ARG 7 HB3 ARG 7 25.932 27.248 20.749 55 HG2 ARG 7 HG2 ARG 7 25.014 29.202 18.613 56 HG3 ARG 7 HG3 ARG 7 24.603 29.300 20.317 57 HD2 ARG 7 HD2 ARG 7 27.416 29.498 19.168 58 HD3 ARG 7 HD3 ARG 7 26.410 30.849 19.696 59 HE ARG 7 HE ARG 7 26.557 29.129 21.915 60 HH11 ARG 7 HH11 ARG 7 28.882 31.115 20.145 61 HH12 ARG 7 HH12 ARG 7 29.820 31.379 21.594 62 HH21 ARG 7 HH21 ARG 7 27.811 29.398 23.575 63 HH22 ARG 7 HH22 ARG 7 29.379 30.187 23.429 64 H CYS 8 H CYS 8 25.030 24.820 18.112 65 HA CYS 8 HA CYS 8 26.165 22.849 19.878 66 HB2 CYS 8 HB2 CYS 8 24.300 22.630 17.488 67 HB3 CYS 8 HB3 CYS 8 24.678 21.312 18.617 68 H GLU 9 H GLU 9 26.721 23.599 16.419 69 HA GLU 9 HA GLU 9 28.511 21.514 15.746 70 HB2 GLU 9 HB2 GLU 9 28.216 24.405 14.899 71 HB3 GLU 9 HB3 GLU 9 29.529 23.432 14.265 72 HG2 GLU 9 HG2 GLU 9 26.786 22.208 14.104 73 HG3 GLU 9 HG3 GLU 9 27.111 23.609 13.079 74 H LEU 10 H LEU 10 29.451 24.774 17.099 75 HA LEU 10 HA LEU 10 32.189 23.960 17.382 76 HB2 LEU 10 HB2 LEU 10 32.595 26.044 18.397 77 HB3 LEU 10 HB3 LEU 10 31.464 26.269 17.092 78 HG LEU 10 HG LEU 10 29.662 26.165 19.039 79 HD11 LEU 10 HD11 LEU 10 32.117 27.243 20.497 80 HD12 LEU 10 HD12 LEU 10 30.449 27.265 21.102 81 HD13 LEU 10 HD13 LEU 10 31.293 25.733 20.907 82 HD21 LEU 10 HD21 LEU 10 29.967 28.076 17.576 83 HD22 LEU 10 HD22 LEU 10 29.811 28.626 19.249 84 HD23 LEU 10 HD23 LEU 10 31.412 28.573 18.484 85 H SER 11 H SER 11 29.445 23.667 19.549 86 HA SER 11 HA SER 11 30.900 22.887 21.901 87 HB2 SER 11 HB2 SER 11 28.547 23.566 21.925 88 HB3 SER 11 HB3 SER 11 28.099 22.120 21.006 89 HG SER 11 HG SER 11 27.784 21.907 23.237 90 H CYS 12 H CYS 12 29.418 20.837 19.282 91 HA CYS 12 HA CYS 12 30.523 18.382 20.339 92 HB2 CYS 12 HB2 CYS 12 29.567 19.081 17.538 93 HB3 CYS 12 HB3 CYS 12 30.018 17.471 18.103 94 H ARG 13 H ARG 13 31.739 20.792 17.998 95 HA ARG 13 HA ARG 13 34.143 19.562 17.153 96 HB2 ARG 13 HB2 ARG 13 33.049 21.792 16.484 97 HB3 ARG 13 HB3 ARG 13 33.904 22.472 17.880 98 HG2 ARG 13 HG2 ARG 13 36.024 21.487 16.840 99 HG3 ARG 13 HG3 ARG 13 35.057 21.183 15.380 100 HD2 ARG 13 HD2 ARG 13 35.547 23.824 16.777 101 HD3 ARG 13 HD3 ARG 13 36.268 23.321 15.238 102 HE ARG 13 HE ARG 13 33.707 23.231 14.501 103 HH11 ARG 13 HH11 ARG 13 35.293 25.820 16.282 104 HH12 ARG 13 HH12 ARG 13 34.154 26.991 15.671 105 HH21 ARG 13 HH21 ARG 13 32.284 24.678 13.960 106 HH22 ARG 13 HH22 ARG 13 32.282 26.304 14.635 107 H SER 14 H SER 14 33.365 21.018 20.327 108 HA SER 14 HA SER 14 36.105 20.955 21.213 109 HB2 SER 14 HB2 SER 14 35.354 21.524 23.378 110 HB3 SER 14 HB3 SER 14 34.218 22.335 22.278 111 HG SER 14 HG SER 14 32.732 20.664 22.670 112 H LEU 15 H LEU 15 33.599 18.513 21.220 113 HA LEU 15 HA LEU 15 35.200 16.527 22.685 114 HB2 LEU 15 HB2 LEU 15 32.611 16.265 21.120 115 HB3 LEU 15 HB3 LEU 15 33.299 15.045 22.187 116 HG LEU 15 HG LEU 15 32.241 17.776 23.050 117 HD11 LEU 15 HD11 LEU 15 31.068 14.982 23.352 118 HD12 LEU 15 HD12 LEU 15 30.397 16.479 24.038 119 HD13 LEU 15 HD13 LEU 15 30.465 16.271 22.284 120 HD21 LEU 15 HD21 LEU 15 33.139 15.401 24.734 121 HD22 LEU 15 HD22 LEU 15 34.003 16.953 24.594 122 HD23 LEU 15 HD23 LEU 15 32.402 16.891 25.343 123 H GLY 16 H GLY 16 35.418 17.823 19.623 124 HA2 GLY 16 HA2 GLY 16 36.808 17.199 17.878 125 HA3 GLY 16 HA3 GLY 16 36.920 15.551 18.503 126 H LEU 17 H LEU 17 33.705 16.897 18.127 127 HA LEU 17 HA LEU 17 33.259 14.943 15.882 128 HB2 LEU 17 HB2 LEU 17 31.053 15.771 17.733 129 HB3 LEU 17 HB3 LEU 17 31.193 14.316 16.779 130 HG LEU 17 HG LEU 17 32.651 15.046 19.263 131 HD11 LEU 17 HD11 LEU 17 31.405 13.131 20.298 132 HD12 LEU 17 HD12 LEU 17 30.427 14.517 19.833 133 HD13 LEU 17 HD13 LEU 17 30.432 13.048 18.812 134 HD21 LEU 17 HD21 LEU 17 32.692 12.441 17.665 135 HD22 LEU 17 HD22 LEU 17 34.081 13.515 17.880 136 HD23 LEU 17 HD23 LEU 17 33.454 12.630 19.275 137 H LEU 18 H LEU 18 31.086 15.264 14.951 138 HA LEU 18 HA LEU 18 30.656 18.017 13.859 139 HB2 LEU 18 HB2 LEU 18 29.808 15.253 12.964 140 HB3 LEU 18 HB3 LEU 18 28.958 16.672 12.399 141 HG LEU 18 HG LEU 18 30.551 15.830 10.812 142 HD11 LEU 18 HD11 LEU 18 29.933 18.117 10.630 143 HD12 LEU 18 HD12 LEU 18 31.170 18.624 11.786 144 HD13 LEU 18 HD13 LEU 18 31.637 17.962 10.204 145 HD21 LEU 18 HD21 LEU 18 32.368 15.121 12.422 146 HD22 LEU 18 HD22 LEU 18 32.940 16.032 11.017 147 HD23 LEU 18 HD23 LEU 18 32.800 16.831 12.599 148 H GLY 19 H GLY 19 28.454 18.789 13.719 149 HA2 GLY 19 HA2 GLY 19 26.754 17.947 16.060 150 HA3 GLY 19 HA3 GLY 19 27.076 19.622 15.680 151 H GLU 20 H GLU 20 24.547 18.160 15.981 152 HA GLU 20 HA GLU 20 23.194 19.092 13.535 153 HB2 GLU 20 HB2 GLU 20 23.759 16.694 13.249 154 HB3 GLU 20 HB3 GLU 20 23.009 16.331 14.793 155 HG2 GLU 20 HG2 GLU 20 21.547 15.602 13.101 156 HG3 GLU 20 HG3 GLU 20 20.801 17.014 13.838 157 H CYS 21 H CYS 21 20.999 19.633 13.841 158 HA CYS 21 HA CYS 21 20.005 19.784 16.677 159 HB2 CYS 21 HB2 CYS 21 20.447 22.029 16.167 160 HB3 CYS 21 HB3 CYS 21 19.981 21.835 14.476 161 H ILE 22 H ILE 22 18.185 18.659 17.027 162 HA ILE 22 HA ILE 22 16.285 18.206 14.756 163 HB ILE 22 HB ILE 22 17.127 16.138 16.810 164 HG12 ILE 22 HG12 ILE 22 18.859 16.393 15.072 165 HG13 ILE 22 HG13 ILE 22 18.070 14.829 15.056 166 HG21 ILE 22 HG21 ILE 22 14.784 15.826 16.304 167 HG22 ILE 22 HG22 ILE 22 15.056 16.024 14.562 168 HG23 ILE 22 HG23 ILE 22 15.680 14.604 15.426 169 HD11 ILE 22 HD11 ILE 22 16.803 15.385 13.051 170 HD12 ILE 22 HD12 ILE 22 17.412 17.051 13.075 171 HD13 ILE 22 HD13 ILE 22 18.522 15.703 12.779 172 H GLY 23 H GLY 23 14.322 18.915 15.151 173 HA2 GLY 23 HA2 GLY 23 12.408 19.588 16.213 174 HA3 GLY 23 HA3 GLY 23 12.819 18.477 17.518 175 H GLU 24 H GLU 24 13.883 19.251 19.330 176 HA GLU 24 HA GLU 24 14.306 22.168 19.678 177 HB2 GLU 24 HB2 GLU 24 13.058 22.206 21.757 178 HB3 GLU 24 HB3 GLU 24 12.028 21.729 20.417 179 HG2 GLU 24 HG2 GLU 24 12.288 19.316 21.124 180 HG3 GLU 24 HG3 GLU 24 13.229 19.866 22.508 181 H GLU 25 H GLU 25 16.001 19.526 19.559 182 HA GLU 25 HA GLU 25 17.782 20.299 21.793 183 HB2 GLU 25 HB2 GLU 25 16.898 17.422 21.306 184 HB3 GLU 25 HB3 GLU 25 18.181 17.965 22.397 185 HG2 GLU 25 HG2 GLU 25 16.445 19.306 23.659 186 HG3 GLU 25 HG3 GLU 25 15.205 18.520 22.666 187 H CYS 26 H CYS 26 19.943 19.896 21.440 188 HA CYS 26 HA CYS 26 20.724 19.239 18.650 189 HB2 CYS 26 HB2 CYS 26 22.192 20.451 20.999 190 HB3 CYS 26 HB3 CYS 26 22.995 19.937 19.519 191 H LYS 27 H LYS 27 22.401 17.801 18.183 192 HA LYS 27 HA LYS 27 23.418 15.933 20.254 193 HB2 LYS 27 HB2 LYS 27 22.923 13.959 18.885 194 HB3 LYS 27 HB3 LYS 27 21.454 14.766 19.439 195 HG2 LYS 27 HG2 LYS 27 21.148 15.827 17.233 196 HG3 LYS 27 HG3 LYS 27 22.660 15.124 16.650 197 HD2 LYS 27 HD2 LYS 27 20.305 13.472 17.608 198 HD3 LYS 27 HD3 LYS 27 20.546 13.971 15.925 199 HE2 LYS 27 HE2 LYS 27 22.736 12.833 15.863 200 HE3 LYS 27 HE3 LYS 27 22.542 12.323 17.546 201 HZ1 LYS 27 HZ1 LYS 27 20.670 11.022 16.933 202 HZ2 LYS 27 HZ2 LYS 27 20.664 11.555 15.379 203 HZ3 LYS 27 HZ3 LYS 27 21.903 10.600 15.925 204 H CYS 28 H CYS 28 25.368 14.833 19.659 205 HA CYS 28 HA CYS 28 26.822 16.035 17.356 206 HB2 CYS 28 HB2 CYS 28 27.858 14.134 19.463 207 HB3 CYS 28 HB3 CYS 28 28.806 15.053 18.289 208 H VAL 29 H VAL 29 27.774 14.679 15.726 209 HA VAL 29 HA VAL 29 26.258 12.155 15.258 210 HB VAL 29 HB VAL 29 26.022 13.012 12.826 211 HG11 VAL 29 HG11 VAL 29 23.864 14.016 13.297 212 HG12 VAL 29 HG12 VAL 29 24.140 12.572 14.285 213 HG13 VAL 29 HG13 VAL 29 24.301 14.195 15.016 214 HG21 VAL 29 HG21 VAL 29 27.389 15.054 13.063 215 HG22 VAL 29 HG22 VAL 29 25.737 15.409 12.540 216 HG23 VAL 29 HG23 VAL 29 26.204 15.715 14.215 217 HA PRO 30 HA PRO 30 30.023 10.564 13.588 218 HB2 PRO 30 HB2 PRO 30 29.125 8.342 12.319 219 HB3 PRO 30 HB3 PRO 30 29.011 8.530 14.102 220 HG2 PRO 30 HG2 PRO 30 26.880 9.054 11.991 221 HG3 PRO 30 HG3 PRO 30 26.731 8.083 13.491 222 HD2 PRO 30 HD2 PRO 30 25.934 10.677 13.375 223 HD3 PRO 30 HD3 PRO 30 26.680 9.999 14.847 224 H TYR 31 H TYR 31 28.042 12.215 11.662 225 HA TYR 31 HA TYR 31 28.080 11.500 9.030 226 HB2 TYR 31 HB2 TYR 31 28.471 14.276 10.190 227 HB3 TYR 31 HB3 TYR 31 28.080 13.959 8.513 228 HD1 TYR 31 HD1 TYR 31 26.086 11.554 10.141 229 HD2 TYR 31 HD2 TYR 31 26.440 15.821 9.598 230 HE1 TYR 31 HE1 TYR 31 23.666 11.817 10.585 231 HE2 TYR 31 HE2 TYR 31 24.011 16.073 10.058 232 HH TYR 31 HH TYR 31 22.061 15.030 10.630 Start of MODEL 13 1 H1 ALA 1 H1 ALA 1 10.199 25.792 16.782 2 H2 ALA 1 H2 ALA 1 9.831 26.400 15.287 3 H3 ALA 1 H3 ALA 1 9.087 26.995 16.647 4 HA ALA 1 HA ALA 1 10.769 28.501 15.802 5 HB1 ALA 1 HB1 ALA 1 10.248 28.599 18.182 6 HB2 ALA 1 HB2 ALA 1 11.353 27.250 18.521 7 HB3 ALA 1 HB3 ALA 1 11.986 28.805 17.950 8 H PHE 2 H PHE 2 12.956 28.908 15.317 9 HA PHE 2 HA PHE 2 14.278 26.549 14.204 10 HB2 PHE 2 HB2 PHE 2 14.826 29.521 13.904 11 HB3 PHE 2 HB3 PHE 2 15.650 28.225 13.015 12 HD1 PHE 2 HD1 PHE 2 14.285 26.665 11.540 13 HD2 PHE 2 HD2 PHE 2 12.653 30.307 13.169 14 HE1 PHE 2 HE1 PHE 2 12.391 26.542 9.958 15 HE2 PHE 2 HE2 PHE 2 10.761 30.156 11.589 16 HZ PHE 2 HZ PHE 2 10.606 28.274 9.979 17 H CYS 3 H CYS 3 15.581 25.410 15.351 18 HA CYS 3 HA CYS 3 17.434 26.417 17.385 19 HB2 CYS 3 HB2 CYS 3 16.335 24.294 17.710 20 HB3 CYS 3 HB3 CYS 3 16.855 23.715 16.138 21 H ASN 4 H ASN 4 19.301 27.294 16.890 22 HA ASN 4 HA ASN 4 20.590 27.181 14.312 23 HB2 ASN 4 HB2 ASN 4 20.678 29.096 15.961 24 HB3 ASN 4 HB3 ASN 4 21.732 28.129 16.975 25 HD21 ASN 4 HD21 ASN 4 23.570 30.415 14.515 26 HD22 ASN 4 HD22 ASN 4 21.930 30.718 15.085 27 H LEU 5 H LEU 5 21.835 25.647 13.520 28 HA LEU 5 HA LEU 5 22.973 23.455 15.092 29 HB2 LEU 5 HB2 LEU 5 21.899 23.086 12.970 30 HB3 LEU 5 HB3 LEU 5 22.931 24.237 12.135 31 HG LEU 5 HG LEU 5 24.155 21.835 13.480 32 HD11 LEU 5 HD11 LEU 5 22.283 20.966 12.103 33 HD12 LEU 5 HD12 LEU 5 22.889 21.869 10.705 34 HD13 LEU 5 HD13 LEU 5 23.850 20.543 11.388 35 HD21 LEU 5 HD21 LEU 5 25.688 23.540 12.433 36 HD22 LEU 5 HD22 LEU 5 25.759 21.992 11.596 37 HD23 LEU 5 HD23 LEU 5 24.836 23.336 10.899 38 H ARG 6 H ARG 6 24.204 26.377 13.402 39 HA ARG 6 HA ARG 6 26.990 25.631 13.564 40 HB2 ARG 6 HB2 ARG 6 25.729 28.364 13.096 41 HB3 ARG 6 HB3 ARG 6 27.439 27.957 12.925 42 HG2 ARG 6 HG2 ARG 6 26.779 26.241 11.168 43 HG3 ARG 6 HG3 ARG 6 25.144 26.924 11.241 44 HD2 ARG 6 HD2 ARG 6 26.173 29.190 10.729 45 HD3 ARG 6 HD3 ARG 6 27.711 28.370 10.454 46 HE ARG 6 HE ARG 6 25.400 27.352 8.914 47 HH11 ARG 6 HH11 ARG 6 28.509 28.898 8.590 48 HH12 ARG 6 HH12 ARG 6 28.230 29.295 6.920 49 HH21 ARG 6 HH21 ARG 6 25.051 28.012 6.820 50 HH22 ARG 6 HH22 ARG 6 26.340 28.829 5.957 51 H ARG 7 H ARG 7 24.892 27.385 15.846 52 HA ARG 7 HA ARG 7 27.090 28.048 17.688 53 HB2 ARG 7 HB2 ARG 7 24.088 27.663 18.051 54 HB3 ARG 7 HB3 ARG 7 25.162 28.095 19.377 55 HG2 ARG 7 HG2 ARG 7 24.875 29.812 16.880 56 HG3 ARG 7 HG3 ARG 7 23.869 29.975 18.324 57 HD2 ARG 7 HD2 ARG 7 26.000 30.279 19.678 58 HD3 ARG 7 HD3 ARG 7 26.872 30.412 18.137 59 HE ARG 7 HE ARG 7 24.644 32.201 18.081 60 HH11 ARG 7 HH11 ARG 7 27.647 31.976 19.926 61 HH12 ARG 7 HH12 ARG 7 27.749 33.710 20.086 62 HH21 ARG 7 HH21 ARG 7 24.808 34.379 18.466 63 HH22 ARG 7 HH22 ARG 7 26.214 35.012 19.279 64 H CYS 8 H CYS 8 24.807 25.303 17.476 65 HA CYS 8 HA CYS 8 25.832 23.942 19.785 66 HB2 CYS 8 HB2 CYS 8 23.997 23.255 17.489 67 HB3 CYS 8 HB3 CYS 8 24.545 21.990 18.582 68 H GLU 9 H GLU 9 26.817 23.713 16.370 69 HA GLU 9 HA GLU 9 28.465 21.460 16.336 70 HB2 GLU 9 HB2 GLU 9 28.675 24.244 15.180 71 HB3 GLU 9 HB3 GLU 9 29.994 23.106 14.933 72 HG2 GLU 9 HG2 GLU 9 28.473 21.492 13.885 73 HG3 GLU 9 HG3 GLU 9 27.120 22.596 14.097 74 H LEU 10 H LEU 10 29.191 24.614 17.863 75 HA LEU 10 HA LEU 10 31.955 24.117 18.386 76 HB2 LEU 10 HB2 LEU 10 30.037 25.863 19.969 77 HB3 LEU 10 HB3 LEU 10 31.785 26.014 19.893 78 HG LEU 10 HG LEU 10 29.919 26.429 17.519 79 HD11 LEU 10 HD11 LEU 10 29.537 28.124 19.241 80 HD12 LEU 10 HD12 LEU 10 31.277 28.485 19.296 81 HD13 LEU 10 HD13 LEU 10 30.342 28.824 17.826 82 HD21 LEU 10 HD21 LEU 10 31.893 27.510 16.485 83 HD22 LEU 10 HD22 LEU 10 32.876 27.082 17.900 84 HD23 LEU 10 HD23 LEU 10 32.219 25.812 16.841 85 H SER 11 H SER 11 29.025 23.323 20.230 86 HA SER 11 HA SER 11 30.340 22.363 22.611 87 HB2 SER 11 HB2 SER 11 27.908 22.905 22.401 88 HB3 SER 11 HB3 SER 11 27.689 21.409 21.472 89 HG SER 11 HG SER 11 28.017 20.234 23.275 90 H CYS 12 H CYS 12 29.600 20.832 19.512 91 HA CYS 12 HA CYS 12 30.411 18.148 20.340 92 HB2 CYS 12 HB2 CYS 12 29.813 19.256 17.563 93 HB3 CYS 12 HB3 CYS 12 29.914 17.563 18.044 94 H ARG 13 H ARG 13 31.858 20.821 18.481 95 HA ARG 13 HA ARG 13 34.117 19.446 17.448 96 HB2 ARG 13 HB2 ARG 13 33.299 21.692 16.748 97 HB3 ARG 13 HB3 ARG 13 33.835 22.371 18.274 98 HG2 ARG 13 HG2 ARG 13 35.356 22.844 16.374 99 HG3 ARG 13 HG3 ARG 13 36.151 22.016 17.710 100 HD2 ARG 13 HD2 ARG 13 36.917 21.179 15.552 101 HD3 ARG 13 HD3 ARG 13 36.148 19.915 16.509 102 HE ARG 13 HE ARG 13 34.451 21.304 14.495 103 HH11 ARG 13 HH11 ARG 13 36.563 18.531 14.980 104 HH12 ARG 13 HH12 ARG 13 35.675 17.586 13.788 105 HH21 ARG 13 HH21 ARG 13 33.615 20.032 12.775 106 HH22 ARG 13 HH22 ARG 13 34.221 18.386 12.631 107 H SER 14 H SER 14 33.474 20.582 20.694 108 HA SER 14 HA SER 14 36.166 20.316 21.666 109 HB2 SER 14 HB2 SER 14 35.276 20.583 23.831 110 HB3 SER 14 HB3 SER 14 34.263 21.573 22.786 111 HG SER 14 HG SER 14 32.621 20.052 22.950 112 H LEU 15 H LEU 15 33.921 17.863 20.820 113 HA LEU 15 HA LEU 15 35.646 15.774 22.100 114 HB2 LEU 15 HB2 LEU 15 32.849 15.596 20.939 115 HB3 LEU 15 HB3 LEU 15 33.746 14.252 21.641 116 HG LEU 15 HG LEU 15 32.832 16.750 23.152 117 HD11 LEU 15 HD11 LEU 15 31.718 13.918 23.108 118 HD12 LEU 15 HD12 LEU 15 31.155 15.260 24.135 119 HD13 LEU 15 HD13 LEU 15 30.970 15.352 22.375 120 HD21 LEU 15 HD21 LEU 15 34.044 14.131 24.154 121 HD22 LEU 15 HD22 LEU 15 34.806 15.737 24.220 122 HD23 LEU 15 HD23 LEU 15 33.357 15.416 25.177 123 H GLY 16 H GLY 16 35.724 17.527 19.436 124 HA2 GLY 16 HA2 GLY 16 36.824 17.252 17.433 125 HA3 GLY 16 HA3 GLY 16 37.000 15.527 17.752 126 H LEU 17 H LEU 17 33.745 16.871 17.923 127 HA LEU 17 HA LEU 17 33.120 15.327 15.435 128 HB2 LEU 17 HB2 LEU 17 30.964 15.883 17.406 129 HB3 LEU 17 HB3 LEU 17 31.168 14.526 16.324 130 HG LEU 17 HG LEU 17 32.637 15.084 18.832 131 HD11 LEU 17 HD11 LEU 17 30.386 13.141 18.332 132 HD12 LEU 17 HD12 LEU 17 31.411 13.128 19.787 133 HD13 LEU 17 HD13 LEU 17 30.432 14.545 19.440 134 HD21 LEU 17 HD21 LEU 17 33.983 13.620 17.255 135 HD22 LEU 17 HD22 LEU 17 33.493 12.727 18.692 136 HD23 LEU 17 HD23 LEU 17 32.609 12.506 17.165 137 H LEU 18 H LEU 18 31.112 15.724 14.510 138 HA LEU 18 HA LEU 18 30.548 18.564 13.775 139 HB2 LEU 18 HB2 LEU 18 29.783 15.862 12.657 140 HB3 LEU 18 HB3 LEU 18 28.710 17.226 12.394 141 HG LEU 18 HG LEU 18 30.666 18.509 11.415 142 HD11 LEU 18 HD11 LEU 18 32.548 17.182 10.532 143 HD12 LEU 18 HD12 LEU 18 32.511 17.115 12.301 144 HD13 LEU 18 HD13 LEU 18 31.929 15.735 11.356 145 HD21 LEU 18 HD21 LEU 18 28.916 17.503 10.025 146 HD22 LEU 18 HD22 LEU 18 30.492 17.335 9.236 147 HD23 LEU 18 HD23 LEU 18 29.760 15.939 10.055 148 H GLY 19 H GLY 19 28.450 19.442 13.963 149 HA2 GLY 19 HA2 GLY 19 26.672 18.209 16.035 150 HA3 GLY 19 HA3 GLY 19 26.823 19.931 15.785 151 H GLU 20 H GLU 20 24.497 18.398 15.838 152 HA GLU 20 HA GLU 20 23.154 19.284 13.369 153 HB2 GLU 20 HB2 GLU 20 23.811 16.869 13.141 154 HB3 GLU 20 HB3 GLU 20 22.977 16.525 14.649 155 HG2 GLU 20 HG2 GLU 20 21.602 15.807 12.880 156 HG3 GLU 20 HG3 GLU 20 20.822 17.200 13.611 157 H CYS 21 H CYS 21 20.753 19.614 13.823 158 HA CYS 21 HA CYS 21 19.989 19.292 16.673 159 HB2 CYS 21 HB2 CYS 21 20.537 21.674 16.257 160 HB3 CYS 21 HB3 CYS 21 19.239 21.741 15.051 161 H ILE 22 H ILE 22 18.227 18.150 16.976 162 HA ILE 22 HA ILE 22 16.388 17.573 14.684 163 HB ILE 22 HB ILE 22 17.332 15.634 16.837 164 HG12 ILE 22 HG12 ILE 22 19.203 15.979 15.331 165 HG13 ILE 22 HG13 ILE 22 18.506 14.378 15.149 166 HG21 ILE 22 HG21 ILE 22 16.165 13.933 15.418 167 HG22 ILE 22 HG22 ILE 22 15.074 15.103 16.121 168 HG23 ILE 22 HG23 ILE 22 15.512 15.233 14.403 169 HD11 ILE 22 HD11 ILE 22 18.130 16.696 13.211 170 HD12 ILE 22 HD12 ILE 22 19.155 15.271 12.979 171 HD13 ILE 22 HD13 ILE 22 17.404 15.081 13.038 172 H GLY 23 H GLY 23 14.312 18.047 15.138 173 HA2 GLY 23 HA2 GLY 23 12.450 18.769 16.296 174 HA3 GLY 23 HA3 GLY 23 12.844 17.456 17.409 175 H GLU 24 H GLU 24 14.393 20.570 16.701 176 HA GLU 24 HA GLU 24 15.314 22.181 17.906 177 HB2 GLU 24 HB2 GLU 24 12.924 21.928 19.743 178 HB3 GLU 24 HB3 GLU 24 13.989 23.326 19.508 179 HG2 GLU 24 HG2 GLU 24 13.287 23.354 17.076 180 HG3 GLU 24 HG3 GLU 24 12.090 22.115 17.458 181 H GLU 25 H GLU 25 16.178 19.416 18.799 182 HA GLU 25 HA GLU 25 17.689 20.407 21.197 183 HB2 GLU 25 HB2 GLU 25 16.685 17.593 20.660 184 HB3 GLU 25 HB3 GLU 25 17.933 18.001 21.848 185 HG2 GLU 25 HG2 GLU 25 16.344 19.490 23.025 186 HG3 GLU 25 HG3 GLU 25 15.072 19.026 21.879 187 H CYS 26 H CYS 26 19.886 20.161 21.168 188 HA CYS 26 HA CYS 26 21.034 19.583 18.531 189 HB2 CYS 26 HB2 CYS 26 22.191 20.760 21.061 190 HB3 CYS 26 HB3 CYS 26 23.111 20.458 19.586 191 H LYS 27 H LYS 27 22.394 18.014 17.961 192 HA LYS 27 HA LYS 27 23.114 15.810 19.860 193 HB2 LYS 27 HB2 LYS 27 22.082 15.384 17.035 194 HB3 LYS 27 HB3 LYS 27 22.328 14.170 18.277 195 HG2 LYS 27 HG2 LYS 27 20.138 16.301 18.260 196 HG3 LYS 27 HG3 LYS 27 19.946 14.634 17.749 197 HD2 LYS 27 HD2 LYS 27 20.263 13.785 19.969 198 HD3 LYS 27 HD3 LYS 27 20.783 15.364 20.569 199 HE2 LYS 27 HE2 LYS 27 18.500 16.279 19.960 200 HE3 LYS 27 HE3 LYS 27 17.999 14.634 19.542 201 HZ1 LYS 27 HZ1 LYS 27 18.412 13.974 21.841 202 HZ2 LYS 27 HZ2 LYS 27 18.959 15.471 22.228 203 HZ3 LYS 27 HZ3 LYS 27 17.378 15.254 21.860 204 H CYS 28 H CYS 28 25.265 15.154 19.596 205 HA CYS 28 HA CYS 28 26.785 16.232 17.269 206 HB2 CYS 28 HB2 CYS 28 27.803 14.689 19.671 207 HB3 CYS 28 HB3 CYS 28 28.751 15.578 18.481 208 H VAL 29 H VAL 29 27.604 15.007 15.635 209 HA VAL 29 HA VAL 29 26.725 12.160 15.564 210 HB VAL 29 HB VAL 29 26.840 12.282 13.130 211 HG11 VAL 29 HG11 VAL 29 24.960 14.306 14.388 212 HG12 VAL 29 HG12 VAL 29 24.743 13.455 12.841 213 HG13 VAL 29 HG13 VAL 29 24.737 12.537 14.353 214 HG21 VAL 29 HG21 VAL 29 28.341 14.147 12.727 215 HG22 VAL 29 HG22 VAL 29 26.773 14.462 11.981 216 HG23 VAL 29 HG23 VAL 29 27.198 15.283 13.495 217 HA PRO 30 HA PRO 30 30.906 10.970 15.776 218 HB2 PRO 30 HB2 PRO 30 30.791 8.360 15.062 219 HB3 PRO 30 HB3 PRO 30 29.983 8.979 16.537 220 HG2 PRO 30 HG2 PRO 30 28.763 8.454 13.807 221 HG3 PRO 30 HG3 PRO 30 28.157 7.922 15.405 222 HD2 PRO 30 HD2 PRO 30 27.218 10.167 14.186 223 HD3 PRO 30 HD3 PRO 30 27.407 10.070 15.956 224 H TYR 31 H TYR 31 29.510 11.361 12.763 225 HA TYR 31 HA TYR 31 31.173 9.898 11.020 226 HB2 TYR 31 HB2 TYR 31 29.689 12.423 10.340 227 HB3 TYR 31 HB3 TYR 31 30.080 11.077 9.271 228 HD1 TYR 31 HD1 TYR 31 29.190 8.787 11.203 229 HD2 TYR 31 HD2 TYR 31 27.344 12.501 10.021 230 HE1 TYR 31 HE1 TYR 31 26.958 7.874 11.825 231 HE2 TYR 31 HE2 TYR 31 25.114 11.563 10.628 232 HH TYR 31 HH TYR 31 24.721 8.594 12.418 Start of MODEL 14 1 H1 ALA 1 H1 ALA 1 11.056 26.243 17.569 2 H2 ALA 1 H2 ALA 1 10.650 27.402 16.470 3 H3 ALA 1 H3 ALA 1 10.167 27.557 18.029 4 HA ALA 1 HA ALA 1 11.975 29.031 17.543 5 HB1 ALA 1 HB1 ALA 1 12.750 26.779 19.439 6 HB2 ALA 1 HB2 ALA 1 13.419 28.428 19.431 7 HB3 ALA 1 HB3 ALA 1 11.709 28.164 19.837 8 H PHE 2 H PHE 2 13.815 29.421 16.447 9 HA PHE 2 HA PHE 2 14.799 27.395 14.590 10 HB2 PHE 2 HB2 PHE 2 15.653 30.272 15.057 11 HB3 PHE 2 HB3 PHE 2 16.076 29.275 13.663 12 HD1 PHE 2 HD1 PHE 2 13.869 31.782 14.775 13 HD2 PHE 2 HD2 PHE 2 13.957 28.179 12.405 14 HE1 PHE 2 HE1 PHE 2 11.819 32.503 13.589 15 HE2 PHE 2 HE2 PHE 2 11.898 28.905 11.239 16 HZ PHE 2 HZ PHE 2 10.808 31.053 11.833 17 H CYS 3 H CYS 3 15.772 25.853 15.871 18 HA CYS 3 HA CYS 3 17.399 26.068 18.021 19 HB2 CYS 3 HB2 CYS 3 16.386 24.034 17.240 20 HB3 CYS 3 HB3 CYS 3 17.355 24.008 15.787 21 H ASN 4 H ASN 4 19.374 26.371 18.516 22 HA ASN 4 HA ASN 4 21.066 27.947 16.815 23 HB2 ASN 4 HB2 ASN 4 21.563 26.944 19.648 24 HB3 ASN 4 HB3 ASN 4 22.454 28.226 18.836 25 HD21 ASN 4 HD21 ASN 4 19.814 30.614 19.135 26 HD22 ASN 4 HD22 ASN 4 20.946 30.067 17.914 27 H LEU 5 H LEU 5 21.120 25.689 15.408 28 HA LEU 5 HA LEU 5 22.922 23.648 15.886 29 HB2 LEU 5 HB2 LEU 5 21.402 23.710 14.016 30 HB3 LEU 5 HB3 LEU 5 22.239 25.096 13.318 31 HG LEU 5 HG LEU 5 24.288 23.648 13.040 32 HD11 LEU 5 HD11 LEU 5 23.776 21.876 14.693 33 HD12 LEU 5 HD12 LEU 5 22.331 21.424 13.755 34 HD13 LEU 5 HD13 LEU 5 23.954 21.193 13.072 35 HD21 LEU 5 HD21 LEU 5 23.388 22.413 11.099 36 HD22 LEU 5 HD22 LEU 5 21.739 22.796 11.643 37 HD23 LEU 5 HD23 LEU 5 22.847 24.097 11.167 38 H ARG 6 H ARG 6 23.784 26.962 14.710 39 HA ARG 6 HA ARG 6 26.478 26.434 14.063 40 HB2 ARG 6 HB2 ARG 6 26.816 28.806 14.114 41 HB3 ARG 6 HB3 ARG 6 25.208 28.499 13.473 42 HG2 ARG 6 HG2 ARG 6 24.295 28.963 15.824 43 HG3 ARG 6 HG3 ARG 6 25.923 29.494 16.267 44 HD2 ARG 6 HD2 ARG 6 24.217 30.716 14.060 45 HD3 ARG 6 HD3 ARG 6 24.414 31.327 15.716 46 HE ARG 6 HE ARG 6 26.898 30.986 14.150 47 HH11 ARG 6 HH11 ARG 6 24.466 33.311 15.204 48 HH12 ARG 6 HH12 ARG 6 25.543 34.659 14.936 49 HH21 ARG 6 HH21 ARG 6 28.222 32.708 13.957 50 HH22 ARG 6 HH22 ARG 6 27.691 34.301 14.415 51 H ARG 7 H ARG 7 25.115 27.059 17.244 52 HA ARG 7 HA ARG 7 27.744 27.168 18.606 53 HB2 ARG 7 HB2 ARG 7 24.845 27.116 19.564 54 HB3 ARG 7 HB3 ARG 7 26.222 26.957 20.664 55 HG2 ARG 7 HG2 ARG 7 27.131 29.091 19.957 56 HG3 ARG 7 HG3 ARG 7 25.875 29.294 18.734 57 HD2 ARG 7 HD2 ARG 7 25.422 30.657 20.722 58 HD3 ARG 7 HD3 ARG 7 24.146 29.467 20.419 59 HE ARG 7 HE ARG 7 26.185 28.545 22.313 60 HH11 ARG 7 HH11 ARG 7 23.493 30.812 22.227 61 HH12 ARG 7 HH12 ARG 7 23.071 30.434 23.894 62 HH21 ARG 7 HH21 ARG 7 25.256 27.904 24.346 63 HH22 ARG 7 HH22 ARG 7 24.026 28.988 24.995 64 H CYS 8 H CYS 8 25.117 24.828 18.134 65 HA CYS 8 HA CYS 8 26.289 22.738 19.683 66 HB2 CYS 8 HB2 CYS 8 24.450 22.520 17.275 67 HB3 CYS 8 HB3 CYS 8 24.708 21.299 18.518 68 H GLU 9 H GLU 9 26.695 23.508 16.204 69 HA GLU 9 HA GLU 9 28.520 21.425 15.521 70 HB2 GLU 9 HB2 GLU 9 28.052 24.239 14.453 71 HB3 GLU 9 HB3 GLU 9 29.232 23.126 13.735 72 HG2 GLU 9 HG2 GLU 9 27.486 21.447 13.346 73 HG3 GLU 9 HG3 GLU 9 26.264 22.507 14.005 74 H LEU 10 H LEU 10 29.087 24.418 17.310 75 HA LEU 10 HA LEU 10 32.013 24.147 17.302 76 HB2 LEU 10 HB2 LEU 10 31.797 26.324 17.610 77 HB3 LEU 10 HB3 LEU 10 30.075 26.193 17.820 78 HG LEU 10 HG LEU 10 30.454 25.769 20.290 79 HD11 LEU 10 HD11 LEU 10 32.576 26.584 21.250 80 HD12 LEU 10 HD12 LEU 10 32.898 25.182 20.236 81 HD13 LEU 10 HD13 LEU 10 33.244 26.809 19.620 82 HD21 LEU 10 HD21 LEU 10 31.422 28.404 19.110 83 HD22 LEU 10 HD22 LEU 10 29.731 27.940 19.393 84 HD23 LEU 10 HD23 LEU 10 30.822 28.152 20.764 85 H SER 11 H SER 11 29.374 23.695 19.673 86 HA SER 11 HA SER 11 30.968 22.876 21.835 87 HB2 SER 11 HB2 SER 11 28.610 23.612 21.909 88 HB3 SER 11 HB3 SER 11 28.101 22.082 21.185 89 HG SER 11 HG SER 11 28.721 21.013 23.047 90 H CYS 12 H CYS 12 29.590 20.862 19.237 91 HA CYS 12 HA CYS 12 30.564 18.345 20.313 92 HB2 CYS 12 HB2 CYS 12 29.721 19.114 17.495 93 HB3 CYS 12 HB3 CYS 12 30.032 17.469 18.080 94 H ARG 13 H ARG 13 31.986 20.860 18.205 95 HA ARG 13 HA ARG 13 34.203 19.313 17.195 96 HB2 ARG 13 HB2 ARG 13 33.172 21.709 16.610 97 HB3 ARG 13 HB3 ARG 13 34.349 22.286 17.750 98 HG2 ARG 13 HG2 ARG 13 35.006 20.538 15.323 99 HG3 ARG 13 HG3 ARG 13 34.936 22.295 15.253 100 HD2 ARG 13 HD2 ARG 13 36.873 20.649 16.899 101 HD3 ARG 13 HD3 ARG 13 37.217 21.574 15.428 102 HE ARG 13 HE ARG 13 36.131 23.420 17.239 103 HH11 ARG 13 HH11 ARG 13 39.146 21.618 16.858 104 HH12 ARG 13 HH12 ARG 13 39.967 22.712 17.972 105 HH21 ARG 13 HH21 ARG 13 37.265 24.552 18.798 106 HH22 ARG 13 HH22 ARG 13 39.008 24.298 18.921 107 H SER 14 H SER 14 33.576 21.020 20.210 108 HA SER 14 HA SER 14 36.257 20.687 21.251 109 HB2 SER 14 HB2 SER 14 34.693 22.408 22.117 110 HB3 SER 14 HB3 SER 14 33.625 21.130 22.720 111 HG SER 14 HG SER 14 36.221 21.854 23.602 112 H LEU 15 H LEU 15 33.703 18.437 20.878 113 HA LEU 15 HA LEU 15 35.039 16.402 22.587 114 HB2 LEU 15 HB2 LEU 15 32.382 16.344 21.096 115 HB3 LEU 15 HB3 LEU 15 32.991 15.078 22.146 116 HG LEU 15 HG LEU 15 32.295 17.896 23.080 117 HD11 LEU 15 HD11 LEU 15 30.327 16.860 24.089 118 HD12 LEU 15 HD12 LEU 15 30.309 16.653 22.333 119 HD13 LEU 15 HD13 LEU 15 30.763 15.287 23.379 120 HD21 LEU 15 HD21 LEU 15 32.968 15.366 24.647 121 HD22 LEU 15 HD22 LEU 15 33.977 16.827 24.538 122 HD23 LEU 15 HD23 LEU 15 32.406 16.898 25.344 123 H GLY 16 H GLY 16 35.476 17.623 19.603 124 HA2 GLY 16 HA2 GLY 16 36.890 16.867 17.923 125 HA3 GLY 16 HA3 GLY 16 36.691 15.202 18.465 126 H LEU 17 H LEU 17 33.667 16.772 18.070 127 HA LEU 17 HA LEU 17 33.220 15.159 15.562 128 HB2 LEU 17 HB2 LEU 17 30.939 15.653 17.407 129 HB3 LEU 17 HB3 LEU 17 31.275 14.274 16.388 130 HG LEU 17 HG LEU 17 32.589 14.958 18.997 131 HD11 LEU 17 HD11 LEU 17 30.367 13.004 18.421 132 HD12 LEU 17 HD12 LEU 17 31.330 13.020 19.918 133 HD13 LEU 17 HD13 LEU 17 30.375 14.432 19.504 134 HD21 LEU 17 HD21 LEU 17 33.482 12.628 18.971 135 HD22 LEU 17 HD22 LEU 17 32.650 12.310 17.435 136 HD23 LEU 17 HD23 LEU 17 34.008 13.443 17.501 137 H LEU 18 H LEU 18 30.927 15.604 14.776 138 HA LEU 18 HA LEU 18 30.553 18.490 14.120 139 HB2 LEU 18 HB2 LEU 18 29.962 15.920 12.675 140 HB3 LEU 18 HB3 LEU 18 28.783 17.200 12.503 141 HG LEU 18 HG LEU 18 30.435 17.187 10.678 142 HD11 LEU 18 HD11 LEU 18 30.910 19.547 10.610 143 HD12 LEU 18 HD12 LEU 18 29.302 19.281 11.292 144 HD13 LEU 18 HD13 LEU 18 30.666 19.711 12.353 145 HD21 LEU 18 HD21 LEU 18 32.521 18.079 12.709 146 HD22 LEU 18 HD22 LEU 18 32.425 16.451 12.007 147 HD23 LEU 18 HD23 LEU 18 32.731 17.847 10.963 148 H GLY 19 H GLY 19 28.347 19.273 14.067 149 HA2 GLY 19 HA2 GLY 19 26.665 18.144 16.278 150 HA3 GLY 19 HA3 GLY 19 26.859 19.862 16.003 151 H GLU 20 H GLU 20 24.464 18.318 16.118 152 HA GLU 20 HA GLU 20 23.110 18.887 13.526 153 HB2 GLU 20 HB2 GLU 20 23.805 16.574 13.404 154 HB3 GLU 20 HB3 GLU 20 23.318 16.284 15.071 155 HG2 GLU 20 HG2 GLU 20 21.795 15.177 13.640 156 HG3 GLU 20 HG3 GLU 20 20.941 16.475 14.446 157 H CYS 21 H CYS 21 20.788 19.235 13.844 158 HA CYS 21 HA CYS 21 19.851 19.170 16.669 159 HB2 CYS 21 HB2 CYS 21 20.359 21.481 16.048 160 HB3 CYS 21 HB3 CYS 21 19.169 21.392 14.734 161 H ILE 22 H ILE 22 18.346 17.773 16.961 162 HA ILE 22 HA ILE 22 16.588 16.886 14.715 163 HB ILE 22 HB ILE 22 17.252 15.481 17.323 164 HG12 ILE 22 HG12 ILE 22 19.212 15.398 15.907 165 HG13 ILE 22 HG13 ILE 22 18.453 13.825 15.978 166 HG21 ILE 22 HG21 ILE 22 15.005 14.895 16.619 167 HG22 ILE 22 HG22 ILE 22 15.551 14.586 14.958 168 HG23 ILE 22 HG23 ILE 22 16.075 13.536 16.291 169 HD11 ILE 22 HD11 ILE 22 19.239 14.289 13.714 170 HD12 ILE 22 HD12 ILE 22 17.470 14.173 13.706 171 HD13 ILE 22 HD13 ILE 22 18.270 15.762 13.632 172 H GLY 23 H GLY 23 14.510 17.447 14.757 173 HA2 GLY 23 HA2 GLY 23 12.584 18.579 15.478 174 HA3 GLY 23 HA3 GLY 23 13.009 18.144 17.146 175 H GLU 24 H GLU 24 13.650 19.783 18.437 176 HA GLU 24 HA GLU 24 15.029 22.147 17.282 177 HB2 GLU 24 HB2 GLU 24 12.815 22.392 19.348 178 HB3 GLU 24 HB3 GLU 24 13.794 23.701 18.650 179 HG2 GLU 24 HG2 GLU 24 12.926 22.942 16.359 180 HG3 GLU 24 HG3 GLU 24 11.746 21.963 17.224 181 H GLU 25 H GLU 25 16.088 19.770 18.515 182 HA GLU 25 HA GLU 25 17.471 20.826 20.918 183 HB2 GLU 25 HB2 GLU 25 15.565 19.437 21.603 184 HB3 GLU 25 HB3 GLU 25 16.121 18.129 20.553 185 HG2 GLU 25 HG2 GLU 25 18.183 17.926 21.874 186 HG3 GLU 25 HG3 GLU 25 17.636 19.243 22.932 187 H CYS 26 H CYS 26 19.635 20.346 21.022 188 HA CYS 26 HA CYS 26 20.810 19.384 18.524 189 HB2 CYS 26 HB2 CYS 26 21.915 20.790 20.947 190 HB3 CYS 26 HB3 CYS 26 22.951 20.148 19.671 191 H LYS 27 H LYS 27 22.385 17.905 18.196 192 HA LYS 27 HA LYS 27 23.312 16.039 20.297 193 HB2 LYS 27 HB2 LYS 27 22.157 15.058 17.654 194 HB3 LYS 27 HB3 LYS 27 22.803 14.056 18.946 195 HG2 LYS 27 HG2 LYS 27 20.256 15.723 19.097 196 HG3 LYS 27 HG3 LYS 27 20.329 14.011 18.765 197 HD2 LYS 27 HD2 LYS 27 20.971 13.412 20.961 198 HD3 LYS 27 HD3 LYS 27 21.476 15.068 21.353 199 HE2 LYS 27 HE2 LYS 27 19.147 15.869 21.096 200 HE3 LYS 27 HE3 LYS 27 18.611 14.215 20.763 201 HZ1 LYS 27 HZ1 LYS 27 19.055 13.628 23.022 202 HZ2 LYS 27 HZ2 LYS 27 19.981 14.948 23.304 203 HZ3 LYS 27 HZ3 LYS 27 18.353 15.086 23.101 204 H CYS 28 H CYS 28 25.210 14.741 19.485 205 HA CYS 28 HA CYS 28 26.701 16.128 17.265 206 HB2 CYS 28 HB2 CYS 28 27.802 14.337 19.445 207 HB3 CYS 28 HB3 CYS 28 28.726 15.272 18.262 208 H VAL 29 H VAL 29 27.816 14.930 15.669 209 HA VAL 29 HA VAL 29 26.691 12.205 15.204 210 HB VAL 29 HB VAL 29 26.580 12.729 12.803 211 HG11 VAL 29 HG11 VAL 29 24.823 14.424 14.582 212 HG12 VAL 29 HG12 VAL 29 24.455 13.882 12.927 213 HG13 VAL 29 HG13 VAL 29 24.611 12.692 14.236 214 HG21 VAL 29 HG21 VAL 29 28.033 14.683 12.629 215 HG22 VAL 29 HG22 VAL 29 26.404 15.049 12.045 216 HG23 VAL 29 HG23 VAL 29 26.906 15.625 13.643 217 HA PRO 30 HA PRO 30 30.794 10.873 14.600 218 HB2 PRO 30 HB2 PRO 30 30.402 8.347 13.731 219 HB3 PRO 30 HB3 PRO 30 29.749 8.887 15.305 220 HG2 PRO 30 HG2 PRO 30 28.278 8.754 12.651 221 HG3 PRO 30 HG3 PRO 30 27.789 8.029 14.219 222 HD2 PRO 30 HD2 PRO 30 26.880 10.473 13.430 223 HD3 PRO 30 HD3 PRO 30 27.267 10.118 15.141 224 H TYR 31 H TYR 31 28.869 11.404 11.792 225 HA TYR 31 HA TYR 31 30.331 10.063 9.806 226 HB2 TYR 31 HB2 TYR 31 28.751 12.597 9.345 227 HB3 TYR 31 HB3 TYR 31 29.018 11.276 8.231 228 HD1 TYR 31 HD1 TYR 31 28.252 8.859 9.338 229 HD2 TYR 31 HD2 TYR 31 26.629 12.751 10.266 230 HE1 TYR 31 HE1 TYR 31 26.185 7.777 10.219 231 HE2 TYR 31 HE2 TYR 31 24.541 11.662 11.130 232 HH TYR 31 HH TYR 31 24.268 8.145 11.463 Start of MODEL 15 1 H1 ALA 1 H1 ALA 1 10.647 26.207 22.209 2 H2 ALA 1 H2 ALA 1 10.946 25.328 20.848 3 H3 ALA 1 H3 ALA 1 10.872 26.976 20.780 4 HA ALA 1 HA ALA 1 12.776 27.193 22.188 5 HB1 ALA 1 HB1 ALA 1 14.151 25.247 22.736 6 HB2 ALA 1 HB2 ALA 1 12.537 25.061 23.440 7 HB3 ALA 1 HB3 ALA 1 12.977 24.161 21.970 8 H PHE 2 H PHE 2 14.571 27.812 21.087 9 HA PHE 2 HA PHE 2 14.688 27.385 18.202 10 HB2 PHE 2 HB2 PHE 2 16.361 28.969 20.173 11 HB3 PHE 2 HB3 PHE 2 16.724 28.856 18.451 12 HD1 PHE 2 HD1 PHE 2 14.341 30.228 20.947 13 HD2 PHE 2 HD2 PHE 2 15.341 29.920 16.761 14 HE1 PHE 2 HE1 PHE 2 12.821 32.117 20.435 15 HE2 PHE 2 HE2 PHE 2 13.814 31.795 16.264 16 HZ PHE 2 HZ PHE 2 12.568 32.934 18.098 17 H CYS 3 H CYS 3 15.679 25.712 17.317 18 HA CYS 3 HA CYS 3 17.771 24.161 18.649 19 HB2 CYS 3 HB2 CYS 3 16.083 23.274 16.993 20 HB3 CYS 3 HB3 CYS 3 16.981 24.089 15.721 21 H ASN 4 H ASN 4 19.363 25.752 19.177 22 HA ASN 4 HA ASN 4 20.615 27.417 17.167 23 HB2 ASN 4 HB2 ASN 4 21.348 26.863 20.050 24 HB3 ASN 4 HB3 ASN 4 22.194 27.979 19.002 25 HD21 ASN 4 HD21 ASN 4 19.019 29.449 20.794 26 HD22 ASN 4 HD22 ASN 4 19.708 27.901 21.280 27 H LEU 5 H LEU 5 20.912 25.340 15.795 28 HA LEU 5 HA LEU 5 22.782 23.319 16.110 29 HB2 LEU 5 HB2 LEU 5 21.316 23.432 14.194 30 HB3 LEU 5 HB3 LEU 5 21.986 24.983 13.696 31 HG LEU 5 HG LEU 5 24.205 23.799 13.258 32 HD11 LEU 5 HD11 LEU 5 24.128 21.370 12.938 33 HD12 LEU 5 HD12 LEU 5 23.779 21.763 14.627 34 HD13 LEU 5 HD13 LEU 5 22.450 21.327 13.523 35 HD21 LEU 5 HD21 LEU 5 21.788 22.923 11.662 36 HD22 LEU 5 HD22 LEU 5 22.703 24.428 11.454 37 HD23 LEU 5 HD23 LEU 5 23.479 22.870 11.117 38 H ARG 6 H ARG 6 23.498 26.627 14.816 39 HA ARG 6 HA ARG 6 26.223 26.010 14.236 40 HB2 ARG 6 HB2 ARG 6 24.912 28.727 14.695 41 HB3 ARG 6 HB3 ARG 6 26.424 28.432 13.836 42 HG2 ARG 6 HG2 ARG 6 23.668 27.408 12.962 43 HG3 ARG 6 HG3 ARG 6 24.476 28.813 12.311 44 HD2 ARG 6 HD2 ARG 6 25.648 26.006 12.176 45 HD3 ARG 6 HD3 ARG 6 24.634 26.720 10.923 46 HE ARG 6 HE ARG 6 26.427 28.657 11.089 47 HH11 ARG 6 HH11 ARG 6 27.371 25.251 11.264 48 HH12 ARG 6 HH12 ARG 6 28.692 25.544 10.165 49 HH21 ARG 6 HH21 ARG 6 28.086 28.857 9.736 50 HH22 ARG 6 HH22 ARG 6 29.111 27.457 9.356 51 H ARG 7 H ARG 7 24.731 27.262 17.180 52 HA ARG 7 HA ARG 7 27.271 27.857 18.549 53 HB2 ARG 7 HB2 ARG 7 24.461 27.414 19.638 54 HB3 ARG 7 HB3 ARG 7 25.806 28.064 20.550 55 HG2 ARG 7 HG2 ARG 7 25.152 29.591 18.044 56 HG3 ARG 7 HG3 ARG 7 23.878 29.537 19.247 57 HD2 ARG 7 HD2 ARG 7 25.158 31.522 19.609 58 HD3 ARG 7 HD3 ARG 7 25.377 30.428 20.970 59 HE ARG 7 HE ARG 7 27.621 30.240 20.464 60 HH11 ARG 7 HH11 ARG 7 26.124 32.014 17.774 61 HH12 ARG 7 HH12 ARG 7 27.727 32.472 17.191 62 HH21 ARG 7 HH21 ARG 7 29.535 30.862 19.533 63 HH22 ARG 7 HH22 ARG 7 29.484 31.811 18.038 64 H CYS 8 H CYS 8 24.993 25.141 18.416 65 HA CYS 8 HA CYS 8 26.258 23.455 20.369 66 HB2 CYS 8 HB2 CYS 8 23.971 23.147 19.769 67 HB3 CYS 8 HB3 CYS 8 24.352 23.091 18.061 68 H GLU 9 H GLU 9 26.647 23.594 16.779 69 HA GLU 9 HA GLU 9 28.292 21.352 16.403 70 HB2 GLU 9 HB2 GLU 9 28.099 24.045 15.037 71 HB3 GLU 9 HB3 GLU 9 29.252 22.832 14.472 72 HG2 GLU 9 HG2 GLU 9 27.479 21.218 14.083 73 HG3 GLU 9 HG3 GLU 9 26.261 22.343 14.665 74 H LEU 10 H LEU 10 29.316 24.544 17.577 75 HA LEU 10 HA LEU 10 32.150 24.105 17.464 76 HB2 LEU 10 HB2 LEU 10 30.568 25.867 19.368 77 HB3 LEU 10 HB3 LEU 10 32.279 26.039 18.944 78 HG LEU 10 HG LEU 10 29.917 26.458 17.074 79 HD11 LEU 10 HD11 LEU 10 31.807 28.452 18.329 80 HD12 LEU 10 HD12 LEU 10 30.515 28.825 17.165 81 HD13 LEU 10 HD13 LEU 10 30.107 28.197 18.781 82 HD21 LEU 10 HD21 LEU 10 31.840 25.680 15.780 83 HD22 LEU 10 HD22 LEU 10 31.549 27.407 15.493 84 HD23 LEU 10 HD23 LEU 10 32.865 26.904 16.566 85 H SER 11 H SER 11 29.701 23.519 19.965 86 HA SER 11 HA SER 11 31.496 22.561 22.036 87 HB2 SER 11 HB2 SER 11 29.075 23.240 22.340 88 HB3 SER 11 HB3 SER 11 28.589 21.766 21.561 89 HG SER 11 HG SER 11 28.720 21.687 23.869 90 H CYS 12 H CYS 12 29.718 20.907 19.376 91 HA CYS 12 HA CYS 12 30.713 18.298 20.041 92 HB2 CYS 12 HB2 CYS 12 29.797 19.220 17.309 93 HB3 CYS 12 HB3 CYS 12 29.916 17.561 17.937 94 H ARG 13 H ARG 13 31.943 20.853 17.838 95 HA ARG 13 HA ARG 13 34.186 19.455 16.751 96 HB2 ARG 13 HB2 ARG 13 33.281 21.732 16.093 97 HB3 ARG 13 HB3 ARG 13 34.138 22.409 17.474 98 HG2 ARG 13 HG2 ARG 13 36.275 21.517 16.583 99 HG3 ARG 13 HG3 ARG 13 35.422 20.781 15.209 100 HD2 ARG 13 HD2 ARG 13 35.443 23.737 15.884 101 HD3 ARG 13 HD3 ARG 13 36.546 22.968 14.726 102 HE ARG 13 HE ARG 13 34.233 22.198 13.640 103 HH11 ARG 13 HH11 ARG 13 34.982 25.485 14.753 104 HH12 ARG 13 HH12 ARG 13 33.801 26.125 13.623 105 HH21 ARG 13 HH21 ARG 13 32.860 23.136 12.338 106 HH22 ARG 13 HH22 ARG 13 32.698 24.908 12.311 107 H SER 14 H SER 14 33.774 21.075 19.880 108 HA SER 14 HA SER 14 36.526 20.726 20.713 109 HB2 SER 14 HB2 SER 14 35.240 22.472 21.733 110 HB3 SER 14 HB3 SER 14 33.950 21.354 22.193 111 HG SER 14 HG SER 14 36.618 21.380 23.210 112 H LEU 15 H LEU 15 33.577 18.771 21.220 113 HA LEU 15 HA LEU 15 34.960 16.627 22.607 114 HB2 LEU 15 HB2 LEU 15 32.346 16.695 21.046 115 HB3 LEU 15 HB3 LEU 15 32.881 15.333 22.020 116 HG LEU 15 HG LEU 15 32.392 18.120 23.164 117 HD11 LEU 15 HD11 LEU 15 30.277 17.187 24.016 118 HD12 LEU 15 HD12 LEU 15 30.308 17.205 22.248 119 HD13 LEU 15 HD13 LEU 15 30.575 15.677 23.121 120 HD21 LEU 15 HD21 LEU 15 33.870 16.723 24.564 121 HD22 LEU 15 HD22 LEU 15 32.282 16.886 25.318 122 HD23 LEU 15 HD23 LEU 15 32.708 15.380 24.479 123 H GLY 16 H GLY 16 35.366 17.686 19.471 124 HA2 GLY 16 HA2 GLY 16 36.767 16.826 17.844 125 HA3 GLY 16 HA3 GLY 16 36.718 15.230 18.592 126 H LEU 17 H LEU 17 33.663 16.766 17.969 127 HA LEU 17 HA LEU 17 33.079 14.812 15.771 128 HB2 LEU 17 HB2 LEU 17 30.856 15.596 17.569 129 HB3 LEU 17 HB3 LEU 17 31.182 14.066 16.785 130 HG LEU 17 HG LEU 17 32.523 15.143 19.224 131 HD11 LEU 17 HD11 LEU 17 30.245 13.168 18.985 132 HD12 LEU 17 HD12 LEU 17 31.228 13.354 20.455 133 HD13 LEU 17 HD13 LEU 17 30.307 14.726 19.865 134 HD21 LEU 17 HD21 LEU 17 33.357 12.807 19.570 135 HD22 LEU 17 HD22 LEU 17 32.494 12.269 18.115 136 HD23 LEU 17 HD23 LEU 17 33.881 13.357 17.979 137 H LEU 18 H LEU 18 30.815 15.233 14.953 138 HA LEU 18 HA LEU 18 30.559 18.033 13.926 139 HB2 LEU 18 HB2 LEU 18 29.192 15.481 13.002 140 HB3 LEU 18 HB3 LEU 18 28.896 17.077 12.367 141 HG LEU 18 HG LEU 18 30.198 16.050 10.791 142 HD11 LEU 18 HD11 LEU 18 32.228 17.320 10.617 143 HD12 LEU 18 HD12 LEU 18 30.958 18.350 11.308 144 HD13 LEU 18 HD13 LEU 18 32.228 17.671 12.355 145 HD21 LEU 18 HD21 LEU 18 32.319 15.261 12.807 146 HD22 LEU 18 HD22 LEU 18 31.049 14.170 12.208 147 HD23 LEU 18 HD23 LEU 18 32.249 14.853 11.090 148 H GLY 19 H GLY 19 28.376 18.858 13.827 149 HA2 GLY 19 HA2 GLY 19 26.600 17.988 16.108 150 HA3 GLY 19 HA3 GLY 19 26.881 19.684 15.764 151 H GLU 20 H GLU 20 24.423 17.926 15.757 152 HA GLU 20 HA GLU 20 23.286 18.938 13.211 153 HB2 GLU 20 HB2 GLU 20 24.058 16.732 12.655 154 HB3 GLU 20 HB3 GLU 20 23.404 16.056 14.136 155 HG2 GLU 20 HG2 GLU 20 22.093 15.354 12.287 156 HG3 GLU 20 HG3 GLU 20 21.106 16.371 13.319 157 H CYS 21 H CYS 21 21.078 19.336 13.186 158 HA CYS 21 HA CYS 21 19.775 19.579 15.825 159 HB2 CYS 21 HB2 CYS 21 19.722 21.487 14.202 160 HB3 CYS 21 HB3 CYS 21 18.759 20.473 13.121 161 H ILE 22 H ILE 22 18.226 18.298 16.568 162 HA ILE 22 HA ILE 22 17.265 15.982 15.038 163 HB ILE 22 HB ILE 22 16.575 16.946 17.833 164 HG12 ILE 22 HG12 ILE 22 18.911 16.496 17.872 165 HG13 ILE 22 HG13 ILE 22 18.104 15.119 18.595 166 HG21 ILE 22 HG21 ILE 22 15.829 14.635 18.215 167 HG22 ILE 22 HG22 ILE 22 14.858 15.424 16.979 168 HG23 ILE 22 HG23 ILE 22 16.096 14.241 16.506 169 HD11 ILE 22 HD11 ILE 22 19.868 14.277 17.204 170 HD12 ILE 22 HD12 ILE 22 18.361 13.901 16.360 171 HD13 ILE 22 HD13 ILE 22 19.371 15.269 15.825 172 H GLY 23 H GLY 23 15.860 18.960 16.374 173 HA2 GLY 23 HA2 GLY 23 14.076 19.528 14.299 174 HA3 GLY 23 HA3 GLY 23 13.162 18.547 15.453 175 H GLU 24 H GLU 24 14.099 19.455 17.907 176 HA GLU 24 HA GLU 24 13.859 22.448 17.888 177 HB2 GLU 24 HB2 GLU 24 12.644 22.426 19.911 178 HB3 GLU 24 HB3 GLU 24 11.812 21.352 18.789 179 HG2 GLU 24 HG2 GLU 24 12.691 19.398 19.949 180 HG3 GLU 24 HG3 GLU 24 13.708 20.396 20.988 181 H GLU 25 H GLU 25 15.999 19.941 18.542 182 HA GLU 25 HA GLU 25 17.771 21.681 20.108 183 HB2 GLU 25 HB2 GLU 25 18.063 20.214 21.883 184 HB3 GLU 25 HB3 GLU 25 16.328 20.393 21.736 185 HG2 GLU 25 HG2 GLU 25 16.192 18.198 20.564 186 HG3 GLU 25 HG3 GLU 25 17.945 17.991 20.744 187 H CYS 26 H CYS 26 19.996 20.616 20.385 188 HA CYS 26 HA CYS 26 20.649 19.218 17.835 189 HB2 CYS 26 HB2 CYS 26 21.193 21.506 17.670 190 HB3 CYS 26 HB3 CYS 26 21.973 21.520 19.249 191 H LYS 27 H LYS 27 22.083 17.658 17.733 192 HA LYS 27 HA LYS 27 23.399 16.645 20.211 193 HB2 LYS 27 HB2 LYS 27 21.780 15.028 18.216 194 HB3 LYS 27 HB3 LYS 27 22.716 14.340 19.537 195 HG2 LYS 27 HG2 LYS 27 20.402 16.290 19.988 196 HG3 LYS 27 HG3 LYS 27 20.200 14.553 19.902 197 HD2 LYS 27 HD2 LYS 27 21.604 14.187 21.838 198 HD3 LYS 27 HD3 LYS 27 22.060 15.902 21.900 199 HE2 LYS 27 HE2 LYS 27 19.763 16.562 22.346 200 HE3 LYS 27 HE3 LYS 27 19.203 14.888 22.180 201 HZ1 LYS 27 HZ1 LYS 27 21.123 15.785 24.270 202 HZ2 LYS 27 HZ2 LYS 27 19.505 15.527 24.515 203 HZ3 LYS 27 HZ3 LYS 27 20.469 14.291 24.146 204 H CYS 28 H CYS 28 25.329 15.657 19.960 205 HA CYS 28 HA CYS 28 26.757 16.298 17.491 206 HB2 CYS 28 HB2 CYS 28 27.776 14.900 19.968 207 HB3 CYS 28 HB3 CYS 28 28.720 15.635 18.692 208 H VAL 29 H VAL 29 27.827 14.889 16.102 209 HA VAL 29 HA VAL 29 27.362 11.977 16.381 210 HB VAL 29 HB VAL 29 26.822 11.754 14.010 211 HG11 VAL 29 HG11 VAL 29 24.482 12.411 14.168 212 HG12 VAL 29 HG12 VAL 29 25.049 11.731 15.695 213 HG13 VAL 29 HG13 VAL 29 24.837 13.495 15.522 214 HG21 VAL 29 HG21 VAL 29 25.919 13.712 12.749 215 HG22 VAL 29 HG22 VAL 29 26.548 14.793 14.003 216 HG23 VAL 29 HG23 VAL 29 27.657 13.801 13.023 217 HA PRO 30 HA PRO 30 31.627 11.994 15.113 218 HB2 PRO 30 HB2 PRO 30 32.154 9.353 15.127 219 HB3 PRO 30 HB3 PRO 30 31.651 10.200 16.621 220 HG2 PRO 30 HG2 PRO 30 29.945 8.558 14.707 221 HG3 PRO 30 HG3 PRO 30 30.034 8.445 16.494 222 HD2 PRO 30 HD2 PRO 30 28.108 9.910 15.180 223 HD3 PRO 30 HD3 PRO 30 28.752 10.357 16.793 224 H TYR 31 H TYR 31 29.263 11.026 12.942 225 HA TYR 31 HA TYR 31 30.238 9.346 11.093 226 HB2 TYR 31 HB2 TYR 31 28.656 11.820 10.366 227 HB3 TYR 31 HB3 TYR 31 28.714 10.315 9.463 228 HD1 TYR 31 HD1 TYR 31 28.344 8.265 11.640 229 HD2 TYR 31 HD2 TYR 31 26.399 12.048 10.916 230 HE1 TYR 31 HE1 TYR 31 26.316 7.449 12.817 231 HE2 TYR 31 HE2 TYR 31 24.360 11.214 12.092 232 HH TYR 31 HH TYR 31 23.436 9.522 13.306 Start of MODEL 16 1 H1 ALA 1 H1 ALA 1 10.408 29.540 19.847 2 H2 ALA 1 H2 ALA 1 10.489 30.172 21.375 3 H3 ALA 1 H3 ALA 1 10.750 28.574 21.141 4 HA ALA 1 HA ALA 1 12.433 30.678 20.014 5 HB1 ALA 1 HB1 ALA 1 14.120 30.102 21.708 6 HB2 ALA 1 HB2 ALA 1 12.629 30.689 22.470 7 HB3 ALA 1 HB3 ALA 1 12.995 28.949 22.454 8 H PHE 2 H PHE 2 14.175 29.983 18.752 9 HA PHE 2 HA PHE 2 13.901 27.295 17.653 10 HB2 PHE 2 HB2 PHE 2 15.546 29.673 16.782 11 HB3 PHE 2 HB3 PHE 2 15.313 28.180 15.865 12 HD1 PHE 2 HD1 PHE 2 14.158 31.514 16.249 13 HD2 PHE 2 HD2 PHE 2 12.777 27.513 15.403 14 HE1 PHE 2 HE1 PHE 2 12.161 32.446 15.097 15 HE2 PHE 2 HE2 PHE 2 10.781 28.443 14.262 16 HZ PHE 2 HZ PHE 2 10.475 30.904 14.105 17 H CYS 3 H CYS 3 15.728 26.058 17.128 18 HA CYS 3 HA CYS 3 17.830 25.813 19.175 19 HB2 CYS 3 HB2 CYS 3 16.651 23.851 18.395 20 HB3 CYS 3 HB3 CYS 3 17.089 24.174 16.726 21 H ASN 4 H ASN 4 19.584 27.024 19.039 22 HA ASN 4 HA ASN 4 20.755 28.168 16.620 23 HB2 ASN 4 HB2 ASN 4 21.832 27.879 19.454 24 HB3 ASN 4 HB3 ASN 4 22.647 28.728 18.154 25 HD21 ASN 4 HD21 ASN 4 19.429 30.524 19.960 26 HD22 ASN 4 HD22 ASN 4 19.592 28.777 20.027 27 H LEU 5 H LEU 5 21.370 26.693 15.104 28 HA LEU 5 HA LEU 5 22.615 24.187 15.669 29 HB2 LEU 5 HB2 LEU 5 21.288 24.615 13.669 30 HB3 LEU 5 HB3 LEU 5 22.427 25.853 13.137 31 HG LEU 5 HG LEU 5 24.195 24.118 12.876 32 HD11 LEU 5 HD11 LEU 5 21.950 22.154 13.520 33 HD12 LEU 5 HD12 LEU 5 23.538 21.722 12.851 34 HD13 LEU 5 HD13 LEU 5 23.434 22.401 14.478 35 HD21 LEU 5 HD21 LEU 5 21.615 23.499 11.397 36 HD22 LEU 5 HD22 LEU 5 22.762 24.794 10.986 37 HD23 LEU 5 HD23 LEU 5 23.256 23.102 10.875 38 H ARG 6 H ARG 6 24.135 27.344 14.671 39 HA ARG 6 HA ARG 6 26.764 26.222 14.313 40 HB2 ARG 6 HB2 ARG 6 25.877 29.053 15.017 41 HB3 ARG 6 HB3 ARG 6 27.509 28.612 14.545 42 HG2 ARG 6 HG2 ARG 6 25.043 28.269 12.790 43 HG3 ARG 6 HG3 ARG 6 26.190 29.597 12.688 44 HD2 ARG 6 HD2 ARG 6 26.853 26.659 12.172 45 HD3 ARG 6 HD3 ARG 6 26.518 27.884 10.948 46 HE ARG 6 HE ARG 6 28.638 28.765 12.685 47 HH11 ARG 6 HH11 ARG 6 28.069 26.733 9.840 48 HH12 ARG 6 HH12 ARG 6 29.709 26.935 9.303 49 HH21 ARG 6 HH21 ARG 6 30.756 28.866 11.898 50 HH22 ARG 6 HH22 ARG 6 31.041 28.256 10.271 51 H ARG 7 H ARG 7 25.173 27.430 17.186 52 HA ARG 7 HA ARG 7 27.382 27.179 19.044 53 HB2 ARG 7 HB2 ARG 7 24.355 27.127 19.421 54 HB3 ARG 7 HB3 ARG 7 25.517 27.084 20.749 55 HG2 ARG 7 HG2 ARG 7 26.484 29.234 19.946 56 HG3 ARG 7 HG3 ARG 7 25.205 29.335 18.722 57 HD2 ARG 7 HD2 ARG 7 23.491 29.256 20.522 58 HD3 ARG 7 HD3 ARG 7 24.773 29.202 21.744 59 HE ARG 7 HE ARG 7 25.431 31.465 20.390 60 HH11 ARG 7 HH11 ARG 7 22.372 30.547 21.936 61 HH12 ARG 7 HH12 ARG 7 22.059 32.261 22.278 62 HH21 ARG 7 HH21 ARG 7 24.777 33.499 20.741 63 HH22 ARG 7 HH22 ARG 7 23.284 33.790 21.642 64 H CYS 8 H CYS 8 25.045 24.854 17.811 65 HA CYS 8 HA CYS 8 25.850 22.688 19.592 66 HB2 CYS 8 HB2 CYS 8 23.644 22.851 18.402 67 HB3 CYS 8 HB3 CYS 8 24.482 22.552 16.882 68 H GLU 9 H GLU 9 26.639 23.514 16.167 69 HA GLU 9 HA GLU 9 28.484 21.447 15.651 70 HB2 GLU 9 HB2 GLU 9 28.088 24.243 14.589 71 HB3 GLU 9 HB3 GLU 9 29.499 23.338 14.075 72 HG2 GLU 9 HG2 GLU 9 26.737 22.099 13.864 73 HG3 GLU 9 HG3 GLU 9 27.323 23.240 12.656 74 H LEU 10 H LEU 10 29.308 24.711 17.028 75 HA LEU 10 HA LEU 10 32.088 24.038 17.292 76 HB2 LEU 10 HB2 LEU 10 32.369 26.070 18.406 77 HB3 LEU 10 HB3 LEU 10 31.138 26.332 17.199 78 HG LEU 10 HG LEU 10 29.506 25.858 19.285 79 HD11 LEU 10 HD11 LEU 10 31.332 25.489 20.964 80 HD12 LEU 10 HD12 LEU 10 31.989 27.085 20.573 81 HD13 LEU 10 HD13 LEU 10 30.395 26.934 21.327 82 HD21 LEU 10 HD21 LEU 10 30.929 28.492 18.773 83 HD22 LEU 10 HD22 LEU 10 29.500 27.879 17.925 84 HD23 LEU 10 HD23 LEU 10 29.388 28.293 19.637 85 H SER 11 H SER 11 29.348 23.471 19.427 86 HA SER 11 HA SER 11 30.901 22.840 21.783 87 HB2 SER 11 HB2 SER 11 28.533 23.503 21.857 88 HB3 SER 11 HB3 SER 11 28.074 22.021 20.999 89 HG SER 11 HG SER 11 29.379 22.210 23.525 90 H CYS 12 H CYS 12 29.480 20.811 19.162 91 HA CYS 12 HA CYS 12 30.606 18.361 20.219 92 HB2 CYS 12 HB2 CYS 12 29.618 19.010 17.432 93 HB3 CYS 12 HB3 CYS 12 29.987 17.397 18.076 94 H ARG 13 H ARG 13 31.851 20.813 17.888 95 HA ARG 13 HA ARG 13 34.179 19.407 17.085 96 HB2 ARG 13 HB2 ARG 13 33.165 22.059 16.833 97 HB3 ARG 13 HB3 ARG 13 34.751 22.237 17.586 98 HG2 ARG 13 HG2 ARG 13 35.768 20.868 15.808 99 HG3 ARG 13 HG3 ARG 13 34.187 20.597 15.083 100 HD2 ARG 13 HD2 ARG 13 35.620 23.261 15.315 101 HD3 ARG 13 HD3 ARG 13 35.479 22.279 13.866 102 HE ARG 13 HE ARG 13 33.071 22.699 13.812 103 HH11 ARG 13 HH11 ARG 13 34.787 24.916 15.983 104 HH12 ARG 13 HH12 ARG 13 33.525 26.119 15.849 105 HH21 ARG 13 HH21 ARG 13 31.686 24.288 13.550 106 HH22 ARG 13 HH22 ARG 13 31.689 25.716 14.579 107 H SER 14 H SER 14 33.453 20.948 20.167 108 HA SER 14 HA SER 14 36.179 20.694 21.148 109 HB2 SER 14 HB2 SER 14 35.419 21.559 23.179 110 HB3 SER 14 HB3 SER 14 34.314 22.307 22.002 111 HG SER 14 HG SER 14 32.761 20.692 22.542 112 H LEU 15 H LEU 15 33.697 18.412 20.800 113 HA LEU 15 HA LEU 15 35.038 16.422 22.554 114 HB2 LEU 15 HB2 LEU 15 32.405 16.317 21.042 115 HB3 LEU 15 HB3 LEU 15 33.010 15.070 22.117 116 HG LEU 15 HG LEU 15 32.204 17.903 22.944 117 HD11 LEU 15 HD11 LEU 15 30.293 16.798 24.004 118 HD12 LEU 15 HD12 LEU 15 30.301 16.495 22.263 119 HD13 LEU 15 HD13 LEU 15 30.824 15.222 23.385 120 HD21 LEU 15 HD21 LEU 15 33.934 17.015 24.461 121 HD22 LEU 15 HD22 LEU 15 32.361 17.018 25.258 122 HD23 LEU 15 HD23 LEU 15 33.025 15.496 24.629 123 H GLY 16 H GLY 16 35.580 17.653 19.618 124 HA2 GLY 16 HA2 GLY 16 36.846 16.953 17.846 125 HA3 GLY 16 HA3 GLY 16 36.882 15.314 18.508 126 H LEU 17 H LEU 17 33.715 16.681 18.052 127 HA LEU 17 HA LEU 17 33.253 14.724 15.807 128 HB2 LEU 17 HB2 LEU 17 31.018 15.627 17.590 129 HB3 LEU 17 HB3 LEU 17 31.217 14.105 16.728 130 HG LEU 17 HG LEU 17 32.623 14.998 19.219 131 HD11 LEU 17 HD11 LEU 17 31.317 13.238 20.371 132 HD12 LEU 17 HD12 LEU 17 30.404 14.621 19.808 133 HD13 LEU 17 HD13 LEU 17 30.331 13.080 18.902 134 HD21 LEU 17 HD21 LEU 17 33.403 12.620 19.423 135 HD22 LEU 17 HD22 LEU 17 32.559 12.227 17.910 136 HD23 LEU 17 HD23 LEU 17 33.971 13.298 17.890 137 H LEU 18 H LEU 18 30.782 15.316 15.123 138 HA LEU 18 HA LEU 18 30.663 18.146 14.136 139 HB2 LEU 18 HB2 LEU 18 29.780 15.511 12.932 140 HB3 LEU 18 HB3 LEU 18 28.818 16.930 12.622 141 HG LEU 18 HG LEU 18 30.307 16.509 10.803 142 HD11 LEU 18 HD11 LEU 18 31.191 19.031 12.233 143 HD12 LEU 18 HD12 LEU 18 31.278 18.695 10.502 144 HD13 LEU 18 HD13 LEU 18 29.701 18.836 11.292 145 HD21 LEU 18 HD21 LEU 18 32.751 16.817 10.946 146 HD22 LEU 18 HD22 LEU 18 32.631 17.038 12.690 147 HD23 LEU 18 HD23 LEU 18 32.226 15.466 11.978 148 H GLY 19 H GLY 19 28.560 19.087 14.147 149 HA2 GLY 19 HA2 GLY 19 26.730 18.032 16.298 150 HA3 GLY 19 HA3 GLY 19 27.006 19.739 15.997 151 H GLU 20 H GLU 20 24.527 18.127 16.017 152 HA GLU 20 HA GLU 20 23.336 19.134 13.505 153 HB2 GLU 20 HB2 GLU 20 23.856 16.819 13.004 154 HB3 GLU 20 HB3 GLU 20 23.266 16.296 14.576 155 HG2 GLU 20 HG2 GLU 20 21.729 15.590 12.934 156 HG3 GLU 20 HG3 GLU 20 20.950 16.812 13.919 157 H CYS 21 H CYS 21 21.070 19.601 13.751 158 HA CYS 21 HA CYS 21 20.009 19.285 16.522 159 HB2 CYS 21 HB2 CYS 21 20.652 21.632 16.173 160 HB3 CYS 21 HB3 CYS 21 19.467 21.750 14.863 161 H ILE 22 H ILE 22 18.349 18.058 16.625 162 HA ILE 22 HA ILE 22 16.401 17.823 14.371 163 HB ILE 22 HB ILE 22 17.981 15.579 15.628 164 HG12 ILE 22 HG12 ILE 22 17.193 16.186 12.753 165 HG13 ILE 22 HG13 ILE 22 18.718 16.674 13.488 166 HG21 ILE 22 HG21 ILE 22 15.599 14.903 15.895 167 HG22 ILE 22 HG22 ILE 22 15.342 15.202 14.157 168 HG23 ILE 22 HG23 ILE 22 16.426 13.921 14.712 169 HD11 ILE 22 HD11 ILE 22 19.121 14.708 12.208 170 HD12 ILE 22 HD12 ILE 22 19.235 14.252 13.921 171 HD13 ILE 22 HD13 ILE 22 17.785 13.837 12.965 172 H GLY 23 H GLY 23 14.328 17.554 14.998 173 HA2 GLY 23 HA2 GLY 23 12.527 17.990 16.383 174 HA3 GLY 23 HA3 GLY 23 13.321 16.924 17.547 175 H GLU 24 H GLU 24 14.342 20.107 16.351 176 HA GLU 24 HA GLU 24 15.272 21.898 17.382 177 HB2 GLU 24 HB2 GLU 24 12.824 21.730 19.172 178 HB3 GLU 24 HB3 GLU 24 13.850 23.147 18.847 179 HG2 GLU 24 HG2 GLU 24 13.337 22.690 16.337 180 HG3 GLU 24 HG3 GLU 24 12.005 21.699 16.935 181 H GLU 25 H GLU 25 16.292 19.371 18.418 182 HA GLU 25 HA GLU 25 17.587 20.471 20.849 183 HB2 GLU 25 HB2 GLU 25 16.558 17.646 20.445 184 HB3 GLU 25 HB3 GLU 25 17.777 18.055 21.645 185 HG2 GLU 25 HG2 GLU 25 14.956 19.205 21.529 186 HG3 GLU 25 HG3 GLU 25 15.517 17.948 22.626 187 H CYS 26 H CYS 26 19.690 20.492 20.856 188 HA CYS 26 HA CYS 26 21.262 19.712 18.549 189 HB2 CYS 26 HB2 CYS 26 21.875 21.686 19.732 190 HB3 CYS 26 HB3 CYS 26 21.832 20.867 21.288 191 H LYS 27 H LYS 27 22.440 17.926 18.195 192 HA LYS 27 HA LYS 27 23.484 16.311 20.427 193 HB2 LYS 27 HB2 LYS 27 22.684 14.191 19.530 194 HB3 LYS 27 HB3 LYS 27 21.343 15.247 19.941 195 HG2 LYS 27 HG2 LYS 27 21.675 15.858 17.241 196 HG3 LYS 27 HG3 LYS 27 22.233 14.188 17.291 197 HD2 LYS 27 HD2 LYS 27 19.914 14.063 16.831 198 HD3 LYS 27 HD3 LYS 27 20.048 13.660 18.552 199 HE2 LYS 27 HE2 LYS 27 19.584 16.166 19.009 200 HE3 LYS 27 HE3 LYS 27 19.205 16.304 17.293 201 HZ1 LYS 27 HZ1 LYS 27 17.151 15.895 18.316 202 HZ2 LYS 27 HZ2 LYS 27 17.568 14.368 17.826 203 HZ3 LYS 27 HZ3 LYS 27 17.775 14.829 19.388 204 H CYS 28 H CYS 28 25.388 15.228 19.956 205 HA CYS 28 HA CYS 28 26.769 16.099 17.499 206 HB2 CYS 28 HB2 CYS 28 27.802 14.327 19.726 207 HB3 CYS 28 HB3 CYS 28 28.741 15.168 18.488 208 H VAL 29 H VAL 29 27.745 14.746 15.983 209 HA VAL 29 HA VAL 29 26.450 12.081 15.648 210 HB VAL 29 HB VAL 29 26.160 12.580 13.249 211 HG11 VAL 29 HG11 VAL 29 24.295 12.679 14.825 212 HG12 VAL 29 HG12 VAL 29 24.614 14.399 15.128 213 HG13 VAL 29 HG13 VAL 29 24.096 13.855 13.519 214 HG21 VAL 29 HG21 VAL 29 27.679 14.484 12.933 215 HG22 VAL 29 HG22 VAL 29 26.027 14.909 12.470 216 HG23 VAL 29 HG23 VAL 29 26.674 15.483 14.013 217 HA PRO 30 HA PRO 30 30.532 10.725 14.709 218 HB2 PRO 30 HB2 PRO 30 30.065 8.206 13.893 219 HB3 PRO 30 HB3 PRO 30 29.595 8.742 15.549 220 HG2 PRO 30 HG2 PRO 30 27.849 8.544 13.060 221 HG3 PRO 30 HG3 PRO 30 27.521 7.878 14.688 222 HD2 PRO 30 HD2 PRO 30 26.548 10.302 13.859 223 HD3 PRO 30 HD3 PRO 30 27.009 9.986 15.551 224 H TYR 31 H TYR 31 28.526 11.582 12.290 225 HA TYR 31 HA TYR 31 29.413 10.353 9.945 226 HB2 TYR 31 HB2 TYR 31 28.240 13.133 10.212 227 HB3 TYR 31 HB3 TYR 31 28.190 12.104 8.786 228 HD1 TYR 31 HD1 TYR 31 27.475 9.451 10.313 229 HD2 TYR 31 HD2 TYR 31 25.844 13.453 10.363 230 HE1 TYR 31 HE1 TYR 31 25.289 8.566 11.061 231 HE2 TYR 31 HE2 TYR 31 23.659 12.546 11.142 232 HH TYR 31 HH TYR 31 22.512 10.626 11.912 Start of MODEL 17 1 H1 ALA 1 H1 ALA 1 10.946 26.712 17.134 2 H2 ALA 1 H2 ALA 1 11.431 27.561 18.466 3 H3 ALA 1 H3 ALA 1 11.379 25.902 18.501 4 HA ALA 1 HA ALA 1 13.142 25.607 17.134 5 HB1 ALA 1 HB1 ALA 1 12.539 27.194 15.408 6 HB2 ALA 1 HB2 ALA 1 12.936 28.565 16.465 7 HB3 ALA 1 HB3 ALA 1 14.217 27.470 15.894 8 H PHE 2 H PHE 2 13.422 25.215 19.521 9 HA PHE 2 HA PHE 2 14.928 27.250 21.014 10 HB2 PHE 2 HB2 PHE 2 13.972 24.470 21.777 11 HB3 PHE 2 HB3 PHE 2 14.735 25.612 22.872 12 HD1 PHE 2 HD1 PHE 2 13.672 27.896 23.239 13 HD2 PHE 2 HD2 PHE 2 11.573 24.592 21.439 14 HE1 PHE 2 HE1 PHE 2 11.507 28.997 23.757 15 HE2 PHE 2 HE2 PHE 2 9.410 25.686 21.963 16 HZ PHE 2 HZ PHE 2 9.368 27.893 23.113 17 H CYS 3 H CYS 3 16.281 25.985 18.685 18 HA CYS 3 HA CYS 3 18.832 25.274 19.995 19 HB2 CYS 3 HB2 CYS 3 17.897 23.157 19.840 20 HB3 CYS 3 HB3 CYS 3 17.106 23.468 18.307 21 H ASN 4 H ASN 4 20.619 25.711 18.822 22 HA ASN 4 HA ASN 4 20.330 26.827 16.064 23 HB2 ASN 4 HB2 ASN 4 22.046 27.972 18.308 24 HB3 ASN 4 HB3 ASN 4 22.215 28.399 16.612 25 HD21 ASN 4 HD21 ASN 4 19.112 30.294 16.547 26 HD22 ASN 4 HD22 ASN 4 19.934 29.104 15.557 27 H LEU 5 H LEU 5 21.366 25.561 14.716 28 HA LEU 5 HA LEU 5 23.276 23.571 15.232 29 HB2 LEU 5 HB2 LEU 5 21.953 23.843 13.170 30 HB3 LEU 5 HB3 LEU 5 22.816 25.325 12.788 31 HG LEU 5 HG LEU 5 24.919 24.058 12.510 32 HD11 LEU 5 HD11 LEU 5 23.177 21.589 12.935 33 HD12 LEU 5 HD12 LEU 5 24.870 21.602 12.394 34 HD13 LEU 5 HD13 LEU 5 24.485 22.136 14.024 35 HD21 LEU 5 HD21 LEU 5 23.427 24.439 10.577 36 HD22 LEU 5 HD22 LEU 5 24.263 22.889 10.432 37 HD23 LEU 5 HD23 LEU 5 22.559 22.929 10.928 38 H ARG 6 H ARG 6 23.795 27.063 14.691 39 HA ARG 6 HA ARG 6 26.613 27.103 14.521 40 HB2 ARG 6 HB2 ARG 6 24.642 29.111 15.736 41 HB3 ARG 6 HB3 ARG 6 26.346 29.473 15.468 42 HG2 ARG 6 HG2 ARG 6 26.118 29.181 13.073 43 HG3 ARG 6 HG3 ARG 6 24.433 28.672 13.232 44 HD2 ARG 6 HD2 ARG 6 25.475 31.405 14.081 45 HD3 ARG 6 HD3 ARG 6 24.799 31.061 12.498 46 HE ARG 6 HE ARG 6 22.658 30.475 13.574 47 HH11 ARG 6 HH11 ARG 6 24.750 32.524 15.577 48 HH12 ARG 6 HH12 ARG 6 23.362 33.148 16.437 49 HH21 ARG 6 HH21 ARG 6 21.057 31.501 14.522 50 HH22 ARG 6 HH22 ARG 6 21.345 32.779 15.684 51 H ARG 7 H ARG 7 24.650 26.909 17.439 52 HA ARG 7 HA ARG 7 27.010 27.019 19.248 53 HB2 ARG 7 HB2 ARG 7 24.017 26.628 19.748 54 HB3 ARG 7 HB3 ARG 7 25.257 26.566 21.001 55 HG2 ARG 7 HG2 ARG 7 25.990 28.864 20.405 56 HG3 ARG 7 HG3 ARG 7 24.665 28.979 19.238 57 HD2 ARG 7 HD2 ARG 7 24.237 28.418 22.207 58 HD3 ARG 7 HD3 ARG 7 24.295 30.038 21.529 59 HE ARG 7 HE ARG 7 22.287 29.722 20.362 60 HH11 ARG 7 HH11 ARG 7 22.877 26.947 22.498 61 HH12 ARG 7 HH12 ARG 7 21.149 26.573 22.497 62 HH21 ARG 7 HH21 ARG 7 20.225 28.982 20.314 63 HH22 ARG 7 HH22 ARG 7 19.708 27.800 21.486 64 H CYS 8 H CYS 8 24.705 24.636 17.981 65 HA CYS 8 HA CYS 8 25.613 22.436 19.509 66 HB2 CYS 8 HB2 CYS 8 23.531 22.609 18.131 67 HB3 CYS 8 HB3 CYS 8 24.527 22.448 16.672 68 H GLU 9 H GLU 9 26.792 23.577 16.280 69 HA GLU 9 HA GLU 9 28.749 21.475 15.973 70 HB2 GLU 9 HB2 GLU 9 28.275 24.163 14.671 71 HB3 GLU 9 HB3 GLU 9 29.668 23.185 14.245 72 HG2 GLU 9 HG2 GLU 9 26.972 21.822 14.222 73 HG3 GLU 9 HG3 GLU 9 27.324 22.994 12.953 74 H LEU 10 H LEU 10 29.090 24.813 17.402 75 HA LEU 10 HA LEU 10 31.919 24.436 17.786 76 HB2 LEU 10 HB2 LEU 10 32.003 26.463 18.814 77 HB3 LEU 10 HB3 LEU 10 30.686 26.605 17.674 78 HG LEU 10 HG LEU 10 29.173 26.111 19.762 79 HD11 LEU 10 HD11 LEU 10 31.681 27.226 21.089 80 HD12 LEU 10 HD12 LEU 10 30.078 27.125 21.846 81 HD13 LEU 10 HD13 LEU 10 30.935 25.652 21.432 82 HD21 LEU 10 HD21 LEU 10 29.200 28.232 18.498 83 HD22 LEU 10 HD22 LEU 10 29.037 28.517 20.233 84 HD23 LEU 10 HD23 LEU 10 30.607 28.770 19.431 85 H SER 11 H SER 11 29.152 23.492 19.688 86 HA SER 11 HA SER 11 30.601 22.674 22.048 87 HB2 SER 11 HB2 SER 11 28.200 23.142 22.040 88 HB3 SER 11 HB3 SER 11 27.909 21.746 20.987 89 HG SER 11 HG SER 11 28.325 20.391 22.606 90 H CYS 12 H CYS 12 29.358 20.745 19.252 91 HA CYS 12 HA CYS 12 30.441 18.285 20.266 92 HB2 CYS 12 HB2 CYS 12 29.564 19.064 17.467 93 HB3 CYS 12 HB3 CYS 12 29.924 17.422 18.001 94 H ARG 13 H ARG 13 31.747 20.675 17.923 95 HA ARG 13 HA ARG 13 34.074 19.249 17.183 96 HB2 ARG 13 HB2 ARG 13 33.135 21.293 16.124 97 HB3 ARG 13 HB3 ARG 13 33.678 22.251 17.497 98 HG2 ARG 13 HG2 ARG 13 35.151 22.469 15.541 99 HG3 ARG 13 HG3 ARG 13 36.002 21.825 16.937 100 HD2 ARG 13 HD2 ARG 13 36.642 20.747 14.799 101 HD3 ARG 13 HD3 ARG 13 36.023 19.594 15.987 102 HE ARG 13 HE ARG 13 33.786 20.277 14.462 103 HH11 ARG 13 HH11 ARG 13 36.930 19.003 13.413 104 HH12 ARG 13 HH12 ARG 13 36.133 17.974 12.248 105 HH21 ARG 13 HH21 ARG 13 33.008 19.145 12.887 106 HH22 ARG 13 HH22 ARG 13 34.048 18.126 11.862 107 H SER 14 H SER 14 33.343 20.766 20.251 108 HA SER 14 HA SER 14 36.123 20.915 21.109 109 HB2 SER 14 HB2 SER 14 34.300 22.349 22.035 110 HB3 SER 14 HB3 SER 14 33.586 20.920 22.800 111 HG SER 14 HG SER 14 34.958 21.073 24.342 112 H LEU 15 H LEU 15 33.910 18.327 20.895 113 HA LEU 15 HA LEU 15 35.679 16.519 22.492 114 HB2 LEU 15 HB2 LEU 15 32.895 16.110 21.347 115 HB3 LEU 15 HB3 LEU 15 33.782 14.938 22.312 116 HG LEU 15 HG LEU 15 32.790 17.665 23.269 117 HD11 LEU 15 HD11 LEU 15 31.009 16.014 22.876 118 HD12 LEU 15 HD12 LEU 15 31.856 14.848 23.920 119 HD13 LEU 15 HD13 LEU 15 31.215 16.360 24.602 120 HD21 LEU 15 HD21 LEU 15 33.398 16.843 25.533 121 HD22 LEU 15 HD22 LEU 15 34.183 15.424 24.799 122 HD23 LEU 15 HD23 LEU 15 34.818 17.061 24.508 123 H GLY 16 H GLY 16 35.569 17.741 19.485 124 HA2 GLY 16 HA2 GLY 16 36.814 17.189 17.617 125 HA3 GLY 16 HA3 GLY 16 36.996 15.531 18.183 126 H LEU 17 H LEU 17 33.723 16.684 18.214 127 HA LEU 17 HA LEU 17 33.149 14.813 15.947 128 HB2 LEU 17 HB2 LEU 17 30.904 15.596 17.694 129 HB3 LEU 17 HB3 LEU 17 31.247 14.068 16.917 130 HG LEU 17 HG LEU 17 32.516 15.195 19.369 131 HD11 LEU 17 HD11 LEU 17 30.296 14.670 19.910 132 HD12 LEU 17 HD12 LEU 17 30.403 13.063 19.130 133 HD13 LEU 17 HD13 LEU 17 31.314 13.417 20.618 134 HD21 LEU 17 HD21 LEU 17 34.043 13.537 18.206 135 HD22 LEU 17 HD22 LEU 17 33.475 12.909 19.752 136 HD23 LEU 17 HD23 LEU 17 32.725 12.355 18.240 137 H LEU 18 H LEU 18 30.962 15.207 15.047 138 HA LEU 18 HA LEU 18 30.636 18.016 14.060 139 HB2 LEU 18 HB2 LEU 18 29.836 15.331 12.971 140 HB3 LEU 18 HB3 LEU 18 28.984 16.792 12.450 141 HG LEU 18 HG LEU 18 32.010 16.601 12.323 142 HD11 LEU 18 HD11 LEU 18 31.743 15.948 9.953 143 HD12 LEU 18 HD12 LEU 18 31.104 14.720 11.061 144 HD13 LEU 18 HD13 LEU 18 29.983 15.809 10.204 145 HD21 LEU 18 HD21 LEU 18 30.065 18.190 10.603 146 HD22 LEU 18 HD22 LEU 18 30.855 18.860 12.030 147 HD23 LEU 18 HD23 LEU 18 31.830 18.328 10.650 148 H GLY 19 H GLY 19 28.641 18.982 14.197 149 HA2 GLY 19 HA2 GLY 19 26.722 17.907 16.244 150 HA3 GLY 19 HA3 GLY 19 27.108 19.610 16.038 151 H GLU 20 H GLU 20 24.526 18.169 15.963 152 HA GLU 20 HA GLU 20 23.482 19.324 13.446 153 HB2 GLU 20 HB2 GLU 20 23.866 16.906 13.048 154 HB3 GLU 20 HB3 GLU 20 22.950 16.529 14.501 155 HG2 GLU 20 HG2 GLU 20 21.433 16.124 12.811 156 HG3 GLU 20 HG3 GLU 20 20.939 17.701 13.373 157 H CYS 21 H CYS 21 21.551 20.331 13.678 158 HA CYS 21 HA CYS 21 20.269 20.337 16.385 159 HB2 CYS 21 HB2 CYS 21 21.059 22.524 15.509 160 HB3 CYS 21 HB3 CYS 21 20.017 22.312 14.099 161 H ILE 22 H ILE 22 18.420 19.146 16.575 162 HA ILE 22 HA ILE 22 16.773 18.653 14.110 163 HB ILE 22 HB ILE 22 17.385 16.731 16.365 164 HG12 ILE 22 HG12 ILE 22 19.164 16.789 14.699 165 HG13 ILE 22 HG13 ILE 22 18.280 15.277 14.670 166 HG21 ILE 22 HG21 ILE 22 15.931 15.118 15.093 167 HG22 ILE 22 HG22 ILE 22 15.045 16.433 15.853 168 HG23 ILE 22 HG23 ILE 22 15.357 16.475 14.107 169 HD11 ILE 22 HD11 ILE 22 18.850 15.987 12.404 170 HD12 ILE 22 HD12 ILE 22 17.095 15.948 12.609 171 HD13 ILE 22 HD13 ILE 22 17.961 17.501 12.612 172 H GLY 23 H GLY 23 15.110 19.860 14.221 173 HA2 GLY 23 HA2 GLY 23 13.126 20.791 14.868 174 HA3 GLY 23 HA3 GLY 23 13.043 19.602 16.171 175 H GLU 24 H GLU 24 14.223 20.063 18.107 176 HA GLU 24 HA GLU 24 14.337 22.950 18.883 177 HB2 GLU 24 HB2 GLU 24 13.098 20.752 20.546 178 HB3 GLU 24 HB3 GLU 24 13.010 22.487 20.817 179 HG2 GLU 24 HG2 GLU 24 11.633 20.932 18.588 180 HG3 GLU 24 HG3 GLU 24 10.900 21.512 20.059 181 H GLU 25 H GLU 25 16.251 20.194 18.717 182 HA GLU 25 HA GLU 25 17.871 20.941 21.064 183 HB2 GLU 25 HB2 GLU 25 16.189 19.512 21.993 184 HB3 GLU 25 HB3 GLU 25 16.406 18.301 20.721 185 HG2 GLU 25 HG2 GLU 25 18.621 17.775 21.490 186 HG3 GLU 25 HG3 GLU 25 18.588 19.107 22.655 187 H CYS 26 H CYS 26 19.953 20.625 20.852 188 HA CYS 26 HA CYS 26 21.202 19.676 18.443 189 HB2 CYS 26 HB2 CYS 26 22.102 21.514 19.690 190 HB3 CYS 26 HB3 CYS 26 22.130 20.584 21.174 191 H LYS 27 H LYS 27 22.338 17.892 17.979 192 HA LYS 27 HA LYS 27 23.062 15.840 20.007 193 HB2 LYS 27 HB2 LYS 27 22.476 14.050 18.507 194 HB3 LYS 27 HB3 LYS 27 21.054 15.051 18.812 195 HG2 LYS 27 HG2 LYS 27 21.476 16.231 16.622 196 HG3 LYS 27 HG3 LYS 27 22.805 15.108 16.309 197 HD2 LYS 27 HD2 LYS 27 19.899 14.339 16.674 198 HD3 LYS 27 HD3 LYS 27 20.714 14.577 15.119 199 HE2 LYS 27 HE2 LYS 27 22.379 12.794 15.812 200 HE3 LYS 27 HE3 LYS 27 21.348 12.459 17.208 201 HZ1 LYS 27 HZ1 LYS 27 20.555 12.191 14.350 202 HZ2 LYS 27 HZ2 LYS 27 20.819 10.967 15.397 203 HZ3 LYS 27 HZ3 LYS 27 19.536 11.952 15.650 204 H CYS 28 H CYS 28 25.063 14.711 19.486 205 HA CYS 28 HA CYS 28 26.676 15.930 17.273 206 HB2 CYS 28 HB2 CYS 28 27.709 14.216 19.537 207 HB3 CYS 28 HB3 CYS 28 28.659 15.096 18.348 208 H VAL 29 H VAL 29 27.605 14.628 15.688 209 HA VAL 29 HA VAL 29 26.265 11.977 15.369 210 HB VAL 29 HB VAL 29 26.330 12.424 12.907 211 HG11 VAL 29 HG11 VAL 29 24.660 14.319 14.589 212 HG12 VAL 29 HG12 VAL 29 24.321 13.771 12.931 213 HG13 VAL 29 HG13 VAL 29 24.302 12.602 14.257 214 HG21 VAL 29 HG21 VAL 29 26.917 15.292 13.745 215 HG22 VAL 29 HG22 VAL 29 27.951 14.218 12.765 216 HG23 VAL 29 HG23 VAL 29 26.387 14.765 12.147 217 HA PRO 30 HA PRO 30 30.067 9.953 15.015 218 HB2 PRO 30 HB2 PRO 30 29.437 7.724 13.534 219 HB3 PRO 30 HB3 PRO 30 28.819 8.017 15.192 220 HG2 PRO 30 HG2 PRO 30 27.452 8.610 12.544 221 HG3 PRO 30 HG3 PRO 30 26.790 7.713 13.956 222 HD2 PRO 30 HD2 PRO 30 26.243 10.324 13.608 223 HD3 PRO 30 HD3 PRO 30 26.613 9.694 15.239 224 H TYR 31 H TYR 31 28.885 11.400 12.203 225 HA TYR 31 HA TYR 31 30.456 10.292 10.132 226 HB2 TYR 31 HB2 TYR 31 29.495 13.157 10.343 227 HB3 TYR 31 HB3 TYR 31 29.852 12.271 8.871 228 HD1 TYR 31 HD1 TYR 31 28.412 9.696 9.233 229 HD2 TYR 31 HD2 TYR 31 27.245 13.737 10.199 230 HE1 TYR 31 HE1 TYR 31 26.018 9.066 8.994 231 HE2 TYR 31 HE2 TYR 31 24.848 13.089 10.009 232 HH TYR 31 HH TYR 31 23.845 9.878 8.846 Start of MODEL 18 1 H1 ALA 1 H1 ALA 1 11.667 27.433 21.299 2 H2 ALA 1 H2 ALA 1 11.258 26.433 22.529 3 H3 ALA 1 H3 ALA 1 11.312 25.849 20.996 4 HA ALA 1 HA ALA 1 13.609 26.832 22.532 5 HB1 ALA 1 HB1 ALA 1 14.328 24.453 22.592 6 HB2 ALA 1 HB2 ALA 1 12.807 24.732 23.458 7 HB3 ALA 1 HB3 ALA 1 12.784 23.984 21.851 8 H PHE 2 H PHE 2 14.627 28.057 21.003 9 HA PHE 2 HA PHE 2 15.031 27.338 18.280 10 HB2 PHE 2 HB2 PHE 2 16.747 29.091 20.063 11 HB3 PHE 2 HB3 PHE 2 16.791 29.030 18.305 12 HD1 PHE 2 HD1 PHE 2 15.607 30.936 20.970 13 HD2 PHE 2 HD2 PHE 2 14.300 29.344 17.179 14 HE1 PHE 2 HE1 PHE 2 13.823 32.654 20.863 15 HE2 PHE 2 HE2 PHE 2 12.519 31.062 17.076 16 HZ PHE 2 HZ PHE 2 12.263 32.710 18.925 17 H CYS 3 H CYS 3 16.172 25.825 17.453 18 HA CYS 3 HA CYS 3 18.161 24.258 18.980 19 HB2 CYS 3 HB2 CYS 3 16.279 23.259 17.689 20 HB3 CYS 3 HB3 CYS 3 16.979 23.899 16.211 21 H ASN 4 H ASN 4 19.865 25.792 19.142 22 HA ASN 4 HA ASN 4 20.728 27.344 16.877 23 HB2 ASN 4 HB2 ASN 4 21.823 27.062 19.673 24 HB3 ASN 4 HB3 ASN 4 22.462 28.185 18.469 25 HD21 ASN 4 HD21 ASN 4 19.439 29.457 20.601 26 HD22 ASN 4 HD22 ASN 4 20.589 28.214 21.074 27 H LEU 5 H LEU 5 21.185 25.448 15.440 28 HA LEU 5 HA LEU 5 23.116 23.512 15.700 29 HB2 LEU 5 HB2 LEU 5 21.513 23.694 13.864 30 HB3 LEU 5 HB3 LEU 5 22.329 25.134 13.259 31 HG LEU 5 HG LEU 5 24.356 23.801 12.767 32 HD11 LEU 5 HD11 LEU 5 24.195 21.313 12.752 33 HD12 LEU 5 HD12 LEU 5 24.145 21.961 14.391 34 HD13 LEU 5 HD13 LEU 5 22.640 21.419 13.603 35 HD21 LEU 5 HD21 LEU 5 23.412 22.566 10.853 36 HD22 LEU 5 HD22 LEU 5 21.788 22.703 11.560 37 HD23 LEU 5 HD23 LEU 5 22.659 24.159 11.034 38 H ARG 6 H ARG 6 23.731 26.919 14.781 39 HA ARG 6 HA ARG 6 26.493 26.788 14.200 40 HB2 ARG 6 HB2 ARG 6 25.014 28.799 13.916 41 HB3 ARG 6 HB3 ARG 6 24.937 28.974 15.657 42 HG2 ARG 6 HG2 ARG 6 26.481 30.599 14.798 43 HG3 ARG 6 HG3 ARG 6 27.389 29.414 15.725 44 HD2 ARG 6 HD2 ARG 6 28.645 29.939 13.773 45 HD3 ARG 6 HD3 ARG 6 28.037 28.296 13.563 46 HE ARG 6 HE ARG 6 26.109 29.791 12.296 47 HH11 ARG 6 HH11 ARG 6 29.633 29.732 11.824 48 HH12 ARG 6 HH12 ARG 6 29.419 30.410 10.211 49 HH21 ARG 6 HH21 ARG 6 26.055 30.473 10.249 50 HH22 ARG 6 HH22 ARG 6 27.560 30.796 9.377 51 H ARG 7 H ARG 7 24.960 27.185 17.385 52 HA ARG 7 HA ARG 7 27.442 27.265 18.927 53 HB2 ARG 7 HB2 ARG 7 24.556 26.729 19.803 54 HB3 ARG 7 HB3 ARG 7 25.924 26.988 20.882 55 HG2 ARG 7 HG2 ARG 7 26.247 29.257 19.961 56 HG3 ARG 7 HG3 ARG 7 24.861 29.014 18.878 57 HD2 ARG 7 HD2 ARG 7 23.373 28.757 20.836 58 HD3 ARG 7 HD3 ARG 7 24.752 29.018 21.925 59 HE ARG 7 HE ARG 7 24.871 31.215 20.296 60 HH11 ARG 7 HH11 ARG 7 22.169 30.060 22.270 61 HH12 ARG 7 HH12 ARG 7 21.551 31.709 22.384 62 HH21 ARG 7 HH21 ARG 7 23.982 33.083 20.419 63 HH22 ARG 7 HH22 ARG 7 22.434 33.347 21.191 64 H CYS 8 H CYS 8 25.031 24.772 18.151 65 HA CYS 8 HA CYS 8 26.080 22.662 19.722 66 HB2 CYS 8 HB2 CYS 8 24.622 22.496 17.059 67 HB3 CYS 8 HB3 CYS 8 24.763 21.209 18.255 68 H GLU 9 H GLU 9 26.831 23.515 16.275 69 HA GLU 9 HA GLU 9 28.649 21.404 15.734 70 HB2 GLU 9 HB2 GLU 9 28.218 24.213 14.719 71 HB3 GLU 9 HB3 GLU 9 29.649 23.351 14.184 72 HG2 GLU 9 HG2 GLU 9 26.924 22.037 13.941 73 HG3 GLU 9 HG3 GLU 9 27.454 23.245 12.769 74 H LEU 10 H LEU 10 29.390 24.639 17.138 75 HA LEU 10 HA LEU 10 32.221 24.139 17.409 76 HB2 LEU 10 HB2 LEU 10 30.431 26.079 18.937 77 HB3 LEU 10 HB3 LEU 10 32.189 26.154 18.841 78 HG LEU 10 HG LEU 10 30.311 26.426 16.470 79 HD11 LEU 10 HD11 LEU 10 31.815 28.587 17.982 80 HD12 LEU 10 HD12 LEU 10 30.827 28.818 16.524 81 HD13 LEU 10 HD13 LEU 10 30.059 28.300 18.029 82 HD21 LEU 10 HD21 LEU 10 32.280 27.324 15.283 83 HD22 LEU 10 HD22 LEU 10 33.286 27.000 16.710 84 HD23 LEU 10 HD23 LEU 10 32.553 25.657 15.792 85 H SER 11 H SER 11 29.480 23.750 19.636 86 HA SER 11 HA SER 11 30.972 22.933 21.945 87 HB2 SER 11 HB2 SER 11 28.619 23.610 22.063 88 HB3 SER 11 HB3 SER 11 28.148 22.219 21.069 89 HG SER 11 HG SER 11 29.113 22.286 23.731 90 H CYS 12 H CYS 12 29.576 20.973 19.256 91 HA CYS 12 HA CYS 12 30.535 18.464 20.335 92 HB2 CYS 12 HB2 CYS 12 29.576 19.201 17.544 93 HB3 CYS 12 HB3 CYS 12 29.932 17.570 18.129 94 H ARG 13 H ARG 13 31.917 20.795 17.952 95 HA ARG 13 HA ARG 13 34.201 19.244 17.252 96 HB2 ARG 13 HB2 ARG 13 33.470 21.263 16.089 97 HB3 ARG 13 HB3 ARG 13 33.884 22.257 17.483 98 HG2 ARG 13 HG2 ARG 13 36.295 21.569 17.211 99 HG3 ARG 13 HG3 ARG 13 35.817 20.564 15.835 100 HD2 ARG 13 HD2 ARG 13 36.696 22.583 14.943 101 HD3 ARG 13 HD3 ARG 13 34.941 22.636 14.721 102 HE ARG 13 HE ARG 13 35.900 23.888 17.206 103 HH11 ARG 13 HH11 ARG 13 34.731 24.586 13.987 104 HH12 ARG 13 HH12 ARG 13 35.129 26.292 14.119 105 HH21 ARG 13 HH21 ARG 13 36.233 26.054 17.380 106 HH22 ARG 13 HH22 ARG 13 35.727 27.128 16.106 107 H SER 14 H SER 14 33.514 20.968 20.269 108 HA SER 14 HA SER 14 36.240 20.761 21.208 109 HB2 SER 14 HB2 SER 14 35.515 21.403 23.327 110 HB3 SER 14 HB3 SER 14 34.410 22.239 22.230 111 HG SER 14 HG SER 14 32.841 20.638 22.691 112 H LEU 15 H LEU 15 33.697 18.412 21.007 113 HA LEU 15 HA LEU 15 35.264 16.343 22.440 114 HB2 LEU 15 HB2 LEU 15 32.520 16.223 21.143 115 HB3 LEU 15 HB3 LEU 15 33.257 14.960 22.121 116 HG LEU 15 HG LEU 15 32.498 17.736 23.151 117 HD11 LEU 15 HD11 LEU 15 30.634 16.609 24.256 118 HD12 LEU 15 HD12 LEU 15 30.527 16.430 22.491 119 HD13 LEU 15 HD13 LEU 15 31.087 15.072 23.490 120 HD21 LEU 15 HD21 LEU 15 32.788 16.719 25.387 121 HD22 LEU 15 HD22 LEU 15 33.354 15.212 24.635 122 HD23 LEU 15 HD23 LEU 15 34.308 16.705 24.483 123 H GLY 16 H GLY 16 35.614 17.713 19.544 124 HA2 GLY 16 HA2 GLY 16 36.778 17.058 17.667 125 HA3 GLY 16 HA3 GLY 16 36.790 15.389 18.246 126 H LEU 17 H LEU 17 33.648 16.862 18.064 127 HA LEU 17 HA LEU 17 32.998 15.081 15.731 128 HB2 LEU 17 HB2 LEU 17 30.917 15.868 17.713 129 HB3 LEU 17 HB3 LEU 17 31.014 14.431 16.718 130 HG LEU 17 HG LEU 17 32.628 15.085 19.138 131 HD11 LEU 17 HD11 LEU 17 30.447 14.682 19.893 132 HD12 LEU 17 HD12 LEU 17 30.266 13.229 18.855 133 HD13 LEU 17 HD13 LEU 17 31.367 13.227 20.247 134 HD21 LEU 17 HD21 LEU 17 32.391 12.450 17.570 135 HD22 LEU 17 HD22 LEU 17 33.837 13.480 17.599 136 HD23 LEU 17 HD23 LEU 17 33.313 12.652 19.067 137 H LEU 18 H LEU 18 30.739 15.569 14.995 138 HA LEU 18 HA LEU 18 30.445 18.435 14.101 139 HB2 LEU 18 HB2 LEU 18 29.858 15.781 12.836 140 HB3 LEU 18 HB3 LEU 18 28.592 16.986 12.693 141 HG LEU 18 HG LEU 18 30.179 18.599 11.712 142 HD11 LEU 18 HD11 LEU 18 32.315 17.789 12.621 143 HD12 LEU 18 HD12 LEU 18 32.146 16.283 11.687 144 HD13 LEU 18 HD13 LEU 18 32.352 17.832 10.853 145 HD21 LEU 18 HD21 LEU 18 30.372 17.426 9.533 146 HD22 LEU 18 HD22 LEU 18 30.021 15.895 10.351 147 HD23 LEU 18 HD23 LEU 18 28.783 17.158 10.304 148 H GLY 19 H GLY 19 28.317 19.316 14.211 149 HA2 GLY 19 HA2 GLY 19 26.504 18.112 16.287 150 HA3 GLY 19 HA3 GLY 19 26.567 19.819 15.862 151 H GLU 20 H GLU 20 24.401 17.769 15.889 152 HA GLU 20 HA GLU 20 23.187 18.425 13.241 153 HB2 GLU 20 HB2 GLU 20 23.828 16.062 13.213 154 HB3 GLU 20 HB3 GLU 20 23.080 15.816 14.784 155 HG2 GLU 20 HG2 GLU 20 21.540 14.895 13.348 156 HG3 GLU 20 HG3 GLU 20 20.832 16.443 13.686 157 H CYS 21 H CYS 21 21.156 19.239 13.337 158 HA CYS 21 HA CYS 21 19.880 19.605 16.022 159 HB2 CYS 21 HB2 CYS 21 20.203 21.695 14.814 160 HB3 CYS 21 HB3 CYS 21 19.416 21.016 13.379 161 H ILE 22 H ILE 22 18.150 18.358 16.547 162 HA ILE 22 HA ILE 22 16.924 16.580 14.531 163 HB ILE 22 HB ILE 22 16.271 16.985 17.459 164 HG12 ILE 22 HG12 ILE 22 18.549 16.256 17.378 165 HG13 ILE 22 HG13 ILE 22 17.527 14.950 17.935 166 HG21 ILE 22 HG21 ILE 22 14.410 15.943 16.303 167 HG22 ILE 22 HG22 ILE 22 15.501 14.810 15.485 168 HG23 ILE 22 HG23 ILE 22 15.247 14.697 17.239 169 HD11 ILE 22 HD11 ILE 22 17.676 13.870 15.700 170 HD12 ILE 22 HD12 ILE 22 18.712 15.204 15.124 171 HD13 ILE 22 HD13 ILE 22 19.264 14.128 16.424 172 H GLY 23 H GLY 23 15.979 19.419 16.444 173 HA2 GLY 23 HA2 GLY 23 14.601 20.755 14.455 174 HA3 GLY 23 HA3 GLY 23 13.357 19.769 15.235 175 H GLU 24 H GLU 24 14.118 19.836 17.861 176 HA GLU 24 HA GLU 24 14.327 22.670 18.743 177 HB2 GLU 24 HB2 GLU 24 12.531 22.379 20.309 178 HB3 GLU 24 HB3 GLU 24 11.988 22.094 18.668 179 HG2 GLU 24 HG2 GLU 24 12.111 19.618 19.100 180 HG3 GLU 24 HG3 GLU 24 12.552 19.962 20.777 181 H GLU 25 H GLU 25 15.742 19.730 18.864 182 HA GLU 25 HA GLU 25 17.468 20.532 21.131 183 HB2 GLU 25 HB2 GLU 25 16.436 17.718 20.605 184 HB3 GLU 25 HB3 GLU 25 17.749 18.100 21.701 185 HG2 GLU 25 HG2 GLU 25 14.867 19.032 22.043 186 HG3 GLU 25 HG3 GLU 25 15.601 17.652 22.840 187 H CYS 26 H CYS 26 19.697 19.835 20.804 188 HA CYS 26 HA CYS 26 20.304 18.668 18.139 189 HB2 CYS 26 HB2 CYS 26 22.080 20.151 17.805 190 HB3 CYS 26 HB3 CYS 26 20.696 21.129 18.213 191 H LYS 27 H LYS 27 22.093 17.370 17.944 192 HA LYS 27 HA LYS 27 23.477 16.438 20.407 193 HB2 LYS 27 HB2 LYS 27 21.972 14.604 18.483 194 HB3 LYS 27 HB3 LYS 27 23.173 14.072 19.649 195 HG2 LYS 27 HG2 LYS 27 21.421 13.679 20.959 196 HG3 LYS 27 HG3 LYS 27 21.587 15.382 21.379 197 HD2 LYS 27 HD2 LYS 27 19.855 15.876 19.557 198 HD3 LYS 27 HD3 LYS 27 19.638 14.133 19.385 199 HE2 LYS 27 HE2 LYS 27 19.211 15.761 21.931 200 HE3 LYS 27 HE3 LYS 27 17.919 15.201 20.854 201 HZ1 LYS 27 HZ1 LYS 27 18.513 12.906 21.433 202 HZ2 LYS 27 HZ2 LYS 27 19.756 13.406 22.356 203 HZ3 LYS 27 HZ3 LYS 27 18.230 13.781 22.805 204 H CYS 28 H CYS 28 25.410 15.198 19.966 205 HA CYS 28 HA CYS 28 26.786 16.200 17.552 206 HB2 CYS 28 HB2 CYS 28 27.873 14.468 19.789 207 HB3 CYS 28 HB3 CYS 28 28.788 15.353 18.563 208 H VAL 29 H VAL 29 27.937 14.895 16.061 209 HA VAL 29 HA VAL 29 27.042 12.074 15.818 210 HB VAL 29 HB VAL 29 26.738 12.390 13.393 211 HG11 VAL 29 HG11 VAL 29 24.878 14.079 15.094 212 HG12 VAL 29 HG12 VAL 29 24.512 13.350 13.517 213 HG13 VAL 29 HG13 VAL 29 24.821 12.309 14.918 214 HG21 VAL 29 HG21 VAL 29 26.285 14.638 12.481 215 HG22 VAL 29 HG22 VAL 29 26.836 15.370 13.994 216 HG23 VAL 29 HG23 VAL 29 27.973 14.451 12.976 217 HA PRO 30 HA PRO 30 31.275 11.171 15.098 218 HB2 PRO 30 HB2 PRO 30 31.150 8.667 14.057 219 HB3 PRO 30 HB3 PRO 30 30.579 9.021 15.718 220 HG2 PRO 30 HG2 PRO 30 28.912 8.882 13.171 221 HG3 PRO 30 HG3 PRO 30 28.635 8.002 14.707 222 HD2 PRO 30 HD2 PRO 30 27.364 10.324 14.191 223 HD3 PRO 30 HD3 PRO 30 27.984 9.975 15.833 224 H TYR 31 H TYR 31 29.197 11.643 12.458 225 HA TYR 31 HA TYR 31 30.569 10.734 10.210 226 HB2 TYR 31 HB2 TYR 31 28.739 13.134 10.420 227 HB3 TYR 31 HB3 TYR 31 29.063 12.189 8.979 228 HD1 TYR 31 HD1 TYR 31 28.810 9.367 9.918 229 HD2 TYR 31 HD2 TYR 31 26.448 12.857 10.827 230 HE1 TYR 31 HE1 TYR 31 26.875 7.914 10.481 231 HE2 TYR 31 HE2 TYR 31 24.521 11.398 11.402 232 HH TYR 31 HH TYR 31 23.775 9.273 11.676 Start of MODEL 19 1 H1 ALA 1 H1 ALA 1 12.351 27.644 20.672 2 H2 ALA 1 H2 ALA 1 11.526 26.310 21.193 3 H3 ALA 1 H3 ALA 1 12.369 26.256 19.778 4 HA ALA 1 HA ALA 1 13.525 26.614 22.442 5 HB1 ALA 1 HB1 ALA 1 14.469 24.355 22.163 6 HB2 ALA 1 HB2 ALA 1 12.699 24.311 22.098 7 HB3 ALA 1 HB3 ALA 1 13.652 24.185 20.603 8 H PHE 2 H PHE 2 15.817 26.740 22.520 9 HA PHE 2 HA PHE 2 16.842 28.353 20.316 10 HB2 PHE 2 HB2 PHE 2 18.042 27.698 23.010 11 HB3 PHE 2 HB3 PHE 2 18.611 28.923 21.874 12 HD1 PHE 2 HD1 PHE 2 16.425 28.307 24.659 13 HD2 PHE 2 HD2 PHE 2 16.969 30.797 21.177 14 HE1 PHE 2 HE1 PHE 2 14.873 29.987 25.618 15 HE2 PHE 2 HE2 PHE 2 15.433 32.487 22.151 16 HZ PHE 2 HZ PHE 2 14.373 32.080 24.370 17 H CYS 3 H CYS 3 16.622 25.839 19.334 18 HA CYS 3 HA CYS 3 19.012 24.233 19.501 19 HB2 CYS 3 HB2 CYS 3 16.621 23.529 19.093 20 HB3 CYS 3 HB3 CYS 3 16.781 24.119 17.442 21 H ASN 4 H ASN 4 20.202 26.519 18.977 22 HA ASN 4 HA ASN 4 20.560 27.179 16.178 23 HB2 ASN 4 HB2 ASN 4 20.925 28.801 18.018 24 HB3 ASN 4 HB3 ASN 4 22.292 27.855 18.588 25 HD21 ASN 4 HD21 ASN 4 22.648 30.176 15.230 26 HD22 ASN 4 HD22 ASN 4 21.085 29.956 16.031 27 H LEU 5 H LEU 5 21.578 26.033 14.716 28 HA LEU 5 HA LEU 5 23.032 23.648 15.264 29 HB2 LEU 5 HB2 LEU 5 21.765 24.051 13.209 30 HB3 LEU 5 HB3 LEU 5 22.817 25.406 12.790 31 HG LEU 5 HG LEU 5 24.728 23.886 12.484 32 HD11 LEU 5 HD11 LEU 5 24.388 21.457 12.411 33 HD12 LEU 5 HD12 LEU 5 24.094 22.053 14.039 34 HD13 LEU 5 HD13 LEU 5 22.712 21.649 12.986 35 HD21 LEU 5 HD21 LEU 5 23.916 22.799 10.439 36 HD22 LEU 5 HD22 LEU 5 22.232 23.037 10.962 37 HD23 LEU 5 HD23 LEU 5 23.255 24.436 10.589 38 H ARG 6 H ARG 6 24.181 27.001 14.692 39 HA ARG 6 HA ARG 6 26.944 26.152 14.376 40 HB2 ARG 6 HB2 ARG 6 26.004 28.251 13.408 41 HB3 ARG 6 HB3 ARG 6 25.878 28.933 15.022 42 HG2 ARG 6 HG2 ARG 6 27.877 29.674 13.700 43 HG3 ARG 6 HG3 ARG 6 28.256 29.026 15.291 44 HD2 ARG 6 HD2 ARG 6 29.836 28.326 13.470 45 HD3 ARG 6 HD3 ARG 6 29.126 27.000 14.377 46 HE ARG 6 HE ARG 6 27.666 27.695 11.922 47 HH11 ARG 6 HH11 ARG 6 30.398 25.794 13.019 48 HH12 ARG 6 HH12 ARG 6 30.173 24.584 11.795 49 HH21 ARG 6 HH21 ARG 6 27.380 26.152 10.484 50 HH22 ARG 6 HH22 ARG 6 28.362 24.693 10.443 51 H ARG 7 H ARG 7 25.112 27.367 17.214 52 HA ARG 7 HA ARG 7 27.350 27.125 19.057 53 HB2 ARG 7 HB2 ARG 7 24.321 27.080 19.426 54 HB3 ARG 7 HB3 ARG 7 25.436 26.791 20.768 55 HG2 ARG 7 HG2 ARG 7 26.598 28.916 20.265 56 HG3 ARG 7 HG3 ARG 7 25.378 29.307 19.043 57 HD2 ARG 7 HD2 ARG 7 23.680 29.603 20.660 58 HD3 ARG 7 HD3 ARG 7 24.534 28.634 21.875 59 HE ARG 7 HE ARG 7 26.214 30.804 21.350 60 HH11 ARG 7 HH11 ARG 7 23.018 30.403 22.781 61 HH12 ARG 7 HH12 ARG 7 23.358 31.584 24.028 62 HH21 ARG 7 HH21 ARG 7 26.415 32.494 22.762 63 HH22 ARG 7 HH22 ARG 7 25.191 32.763 23.978 64 H CYS 8 H CYS 8 24.912 24.764 17.990 65 HA CYS 8 HA CYS 8 25.869 22.623 19.644 66 HB2 CYS 8 HB2 CYS 8 24.268 22.631 17.062 67 HB3 CYS 8 HB3 CYS 8 24.493 21.237 18.120 68 H GLU 9 H GLU 9 26.734 23.546 16.275 69 HA GLU 9 HA GLU 9 28.488 21.402 15.691 70 HB2 GLU 9 HB2 GLU 9 28.250 24.269 14.761 71 HB3 GLU 9 HB3 GLU 9 29.613 23.301 14.231 72 HG2 GLU 9 HG2 GLU 9 26.798 22.230 13.891 73 HG3 GLU 9 HG3 GLU 9 27.459 23.417 12.764 74 H LEU 10 H LEU 10 29.357 24.625 17.124 75 HA LEU 10 HA LEU 10 32.098 23.801 17.464 76 HB2 LEU 10 HB2 LEU 10 32.509 25.887 18.395 77 HB3 LEU 10 HB3 LEU 10 31.317 26.118 17.135 78 HG LEU 10 HG LEU 10 29.631 25.996 19.231 79 HD11 LEU 10 HD11 LEU 10 31.412 25.611 20.939 80 HD12 LEU 10 HD12 LEU 10 32.211 27.103 20.421 81 HD13 LEU 10 HD13 LEU 10 30.615 27.174 21.183 82 HD21 LEU 10 HD21 LEU 10 29.832 27.887 17.671 83 HD22 LEU 10 HD22 LEU 10 29.718 28.456 19.346 84 HD23 LEU 10 HD23 LEU 10 31.291 28.439 18.522 85 H SER 11 H SER 11 29.287 23.646 19.617 86 HA SER 11 HA SER 11 30.542 22.784 22.014 87 HB2 SER 11 HB2 SER 11 28.153 23.368 21.834 88 HB3 SER 11 HB3 SER 11 27.875 21.961 20.801 89 HG SER 11 HG SER 11 28.419 22.107 23.554 90 H CYS 12 H CYS 12 29.688 20.918 19.088 91 HA CYS 12 HA CYS 12 30.695 18.413 20.246 92 HB2 CYS 12 HB2 CYS 12 29.662 19.079 17.482 93 HB3 CYS 12 HB3 CYS 12 30.095 17.469 18.068 94 H ARG 13 H ARG 13 31.897 20.819 17.823 95 HA ARG 13 HA ARG 13 34.228 19.476 16.944 96 HB2 ARG 13 HB2 ARG 13 33.200 21.814 16.339 97 HB3 ARG 13 HB3 ARG 13 34.179 22.437 17.647 98 HG2 ARG 13 HG2 ARG 13 35.097 21.058 15.090 99 HG3 ARG 13 HG3 ARG 13 35.223 22.764 15.469 100 HD2 ARG 13 HD2 ARG 13 36.808 20.503 16.707 101 HD3 ARG 13 HD3 ARG 13 37.389 21.739 15.599 102 HE ARG 13 HE ARG 13 36.270 22.884 18.048 103 HH11 ARG 13 HH11 ARG 13 39.363 21.597 16.811 104 HH12 ARG 13 HH12 ARG 13 40.195 22.505 18.073 105 HH21 ARG 13 HH21 ARG 13 37.478 23.831 19.514 106 HH22 ARG 13 HH22 ARG 13 39.236 23.638 19.501 107 H SER 14 H SER 14 33.632 21.287 19.930 108 HA SER 14 HA SER 14 36.221 21.060 21.011 109 HB2 SER 14 HB2 SER 14 34.332 22.543 21.811 110 HB3 SER 14 HB3 SER 14 33.576 21.109 22.536 111 HG SER 14 HG SER 14 35.961 22.459 23.193 112 H LEU 15 H LEU 15 33.719 18.634 20.913 113 HA LEU 15 HA LEU 15 35.196 16.759 22.681 114 HB2 LEU 15 HB2 LEU 15 32.564 16.402 21.194 115 HB3 LEU 15 HB3 LEU 15 33.210 15.372 22.453 116 HG LEU 15 HG LEU 15 32.280 18.243 22.844 117 HD11 LEU 15 HD11 LEU 15 31.005 15.596 23.657 118 HD12 LEU 15 HD12 LEU 15 30.395 17.224 24.036 119 HD13 LEU 15 HD13 LEU 15 30.448 16.674 22.359 120 HD21 LEU 15 HD21 LEU 15 34.040 17.643 24.462 121 HD22 LEU 15 HD22 LEU 15 32.461 17.753 25.250 122 HD23 LEU 15 HD23 LEU 15 33.164 16.158 24.890 123 H GLY 16 H GLY 16 35.528 17.697 19.565 124 HA2 GLY 16 HA2 GLY 16 36.908 16.817 17.926 125 HA3 GLY 16 HA3 GLY 16 36.779 15.204 18.637 126 H LEU 17 H LEU 17 33.760 16.846 18.078 127 HA LEU 17 HA LEU 17 33.240 14.999 15.754 128 HB2 LEU 17 HB2 LEU 17 30.998 15.658 17.592 129 HB3 LEU 17 HB3 LEU 17 31.289 14.206 16.655 130 HG LEU 17 HG LEU 17 32.659 15.028 19.199 131 HD11 LEU 17 HD11 LEU 17 31.375 13.125 20.229 132 HD12 LEU 17 HD12 LEU 17 30.462 14.565 19.800 133 HD13 LEU 17 HD13 LEU 17 30.382 13.117 18.755 134 HD21 LEU 17 HD21 LEU 17 32.618 12.264 17.879 135 HD22 LEU 17 HD22 LEU 17 33.983 13.372 17.705 136 HD23 LEU 17 HD23 LEU 17 33.570 12.738 19.299 137 H LEU 18 H LEU 18 30.815 15.564 15.070 138 HA LEU 18 HA LEU 18 30.616 18.473 14.332 139 HB2 LEU 18 HB2 LEU 18 29.928 15.931 12.864 140 HB3 LEU 18 HB3 LEU 18 28.868 17.313 12.679 141 HG LEU 18 HG LEU 18 30.773 18.738 11.974 142 HD11 LEU 18 HD11 LEU 18 32.888 17.577 11.248 143 HD12 LEU 18 HD12 LEU 18 32.669 17.631 12.992 144 HD13 LEU 18 HD13 LEU 18 32.329 16.126 12.120 145 HD21 LEU 18 HD21 LEU 18 29.354 17.487 10.339 146 HD22 LEU 18 HD22 LEU 18 30.999 17.825 9.778 147 HD23 LEU 18 HD23 LEU 18 30.573 16.185 10.341 148 H GLY 19 H GLY 19 28.480 19.370 14.383 149 HA2 GLY 19 HA2 GLY 19 26.639 18.099 16.401 150 HA3 GLY 19 HA3 GLY 19 26.875 19.831 16.228 151 H GLU 20 H GLU 20 24.432 18.151 16.093 152 HA GLU 20 HA GLU 20 23.313 19.408 13.656 153 HB2 GLU 20 HB2 GLU 20 23.886 17.187 12.922 154 HB3 GLU 20 HB3 GLU 20 23.239 16.475 14.390 155 HG2 GLU 20 HG2 GLU 20 21.776 15.993 12.585 156 HG3 GLU 20 HG3 GLU 20 20.944 17.042 13.719 157 H CYS 21 H CYS 21 21.217 20.055 13.790 158 HA CYS 21 HA CYS 21 19.876 19.892 16.459 159 HB2 CYS 21 HB2 CYS 21 20.095 22.147 15.594 160 HB3 CYS 21 HB3 CYS 21 19.359 21.662 14.064 161 H ILE 22 H ILE 22 18.358 18.418 16.769 162 HA ILE 22 HA ILE 22 17.348 16.704 14.622 163 HB ILE 22 HB ILE 22 16.608 16.859 17.567 164 HG12 ILE 22 HG12 ILE 22 18.983 16.405 17.436 165 HG13 ILE 22 HG13 ILE 22 18.127 14.959 17.915 166 HG21 ILE 22 HG21 ILE 22 14.889 15.646 16.390 167 HG22 ILE 22 HG22 ILE 22 16.093 14.676 15.519 168 HG23 ILE 22 HG23 ILE 22 15.884 14.487 17.271 169 HD11 ILE 22 HD11 ILE 22 19.928 14.441 16.327 170 HD12 ILE 22 HD12 ILE 22 18.362 14.040 15.605 171 HD13 ILE 22 HD13 ILE 22 19.227 15.520 15.116 172 H GLY 23 H GLY 23 16.172 19.478 16.383 173 HA2 GLY 23 HA2 GLY 23 14.437 20.530 14.578 174 HA3 GLY 23 HA3 GLY 23 13.409 19.359 15.424 175 H GLU 24 H GLU 24 14.322 19.544 18.006 176 HA GLU 24 HA GLU 24 14.236 22.420 18.870 177 HB2 GLU 24 HB2 GLU 24 12.714 20.078 20.078 178 HB3 GLU 24 HB3 GLU 24 12.809 21.702 20.765 179 HG2 GLU 24 HG2 GLU 24 11.599 22.652 18.891 180 HG3 GLU 24 HG3 GLU 24 11.571 21.096 18.051 181 H GLU 25 H GLU 25 15.867 19.399 19.135 182 HA GLU 25 HA GLU 25 17.628 20.570 21.188 183 HB2 GLU 25 HB2 GLU 25 17.941 18.544 22.354 184 HB3 GLU 25 HB3 GLU 25 16.220 18.891 22.375 185 HG2 GLU 25 HG2 GLU 25 15.798 17.161 20.693 186 HG3 GLU 25 HG3 GLU 25 17.528 16.893 20.463 187 H CYS 26 H CYS 26 19.844 19.776 21.059 188 HA CYS 26 HA CYS 26 20.567 18.858 18.317 189 HB2 CYS 26 HB2 CYS 26 22.132 20.396 20.406 190 HB3 CYS 26 HB3 CYS 26 22.817 19.774 18.907 191 H LYS 27 H LYS 27 22.109 17.262 17.971 192 HA LYS 27 HA LYS 27 23.386 15.920 20.299 193 HB2 LYS 27 HB2 LYS 27 22.005 14.563 17.950 194 HB3 LYS 27 HB3 LYS 27 23.101 13.751 19.074 195 HG2 LYS 27 HG2 LYS 27 21.586 14.077 20.939 196 HG3 LYS 27 HG3 LYS 27 20.546 15.148 19.993 197 HD2 LYS 27 HD2 LYS 27 19.528 12.935 20.160 198 HD3 LYS 27 HD3 LYS 27 19.905 13.371 18.502 199 HE2 LYS 27 HE2 LYS 27 20.526 11.114 18.678 200 HE3 LYS 27 HE3 LYS 27 22.037 12.036 18.671 201 HZ1 LYS 27 HZ1 LYS 27 21.823 10.200 20.356 202 HZ2 LYS 27 HZ2 LYS 27 22.253 11.658 21.017 203 HZ3 LYS 27 HZ3 LYS 27 20.709 11.089 21.164 204 H CYS 28 H CYS 28 25.449 15.071 19.839 205 HA CYS 28 HA CYS 28 26.791 16.143 17.445 206 HB2 CYS 28 HB2 CYS 28 27.866 14.252 19.548 207 HB3 CYS 28 HB3 CYS 28 28.801 15.148 18.350 208 H VAL 29 H VAL 29 27.776 14.913 15.829 209 HA VAL 29 HA VAL 29 26.522 12.264 15.283 210 HB VAL 29 HB VAL 29 26.299 13.046 12.889 211 HG11 VAL 29 HG11 VAL 29 24.166 14.137 13.267 212 HG12 VAL 29 HG12 VAL 29 24.393 12.814 14.414 213 HG13 VAL 29 HG13 VAL 29 24.605 14.497 14.955 214 HG21 VAL 29 HG21 VAL 29 27.721 15.054 12.945 215 HG22 VAL 29 HG22 VAL 29 26.067 15.451 12.463 216 HG23 VAL 29 HG23 VAL 29 26.607 15.829 14.099 217 HA PRO 30 HA PRO 30 30.491 10.824 14.301 218 HB2 PRO 30 HB2 PRO 30 29.988 8.701 12.642 219 HB3 PRO 30 HB3 PRO 30 29.533 8.720 14.374 220 HG2 PRO 30 HG2 PRO 30 27.804 9.394 11.966 221 HG3 PRO 30 HG3 PRO 30 27.426 8.282 13.324 222 HD2 PRO 30 HD2 PRO 30 26.532 10.831 13.314 223 HD3 PRO 30 HD3 PRO 30 27.111 10.078 14.831 224 H TYR 31 H TYR 31 28.841 12.436 11.932 225 HA TYR 31 HA TYR 31 30.059 11.807 9.510 226 HB2 TYR 31 HB2 TYR 31 28.938 14.479 10.407 227 HB3 TYR 31 HB3 TYR 31 29.149 13.959 8.744 228 HD1 TYR 31 HD1 TYR 31 28.073 11.029 9.140 229 HD2 TYR 31 HD2 TYR 31 26.596 14.924 10.264 230 HE1 TYR 31 HE1 TYR 31 25.757 10.150 9.150 231 HE2 TYR 31 HE2 TYR 31 24.265 14.037 10.265 232 HH TYR 31 HH TYR 31 22.927 12.146 10.053 Start of MODEL 20 1 H1 ALA 1 H1 ALA 1 11.926 26.939 13.421 2 H2 ALA 1 H2 ALA 1 11.301 25.434 13.179 3 H3 ALA 1 H3 ALA 1 12.885 25.756 12.808 4 HA ALA 1 HA ALA 1 11.691 25.786 15.492 5 HB1 ALA 1 HB1 ALA 1 13.077 23.827 15.972 6 HB2 ALA 1 HB2 ALA 1 11.974 23.487 14.627 7 HB3 ALA 1 HB3 ALA 1 13.695 23.812 14.312 8 H PHE 2 H PHE 2 12.956 26.547 17.167 9 HA PHE 2 HA PHE 2 15.250 28.264 16.366 10 HB2 PHE 2 HB2 PHE 2 13.663 28.152 18.933 11 HB3 PHE 2 HB3 PHE 2 14.928 29.313 18.543 12 HD1 PHE 2 HD1 PHE 2 14.574 30.715 16.307 13 HD2 PHE 2 HD2 PHE 2 11.433 28.715 18.463 14 HE1 PHE 2 HE1 PHE 2 12.893 32.180 15.223 15 HE2 PHE 2 HE2 PHE 2 9.745 30.217 17.415 16 HZ PHE 2 HZ PHE 2 10.477 31.944 15.773 17 H CYS 3 H CYS 3 16.092 25.806 16.107 18 HA CYS 3 HA CYS 3 17.644 25.008 18.522 19 HB2 CYS 3 HB2 CYS 3 16.433 23.267 17.366 20 HB3 CYS 3 HB3 CYS 3 17.252 23.608 15.849 21 H ASN 4 H ASN 4 19.571 25.890 18.736 22 HA ASN 4 HA ASN 4 20.637 27.579 16.601 23 HB2 ASN 4 HB2 ASN 4 21.497 27.251 19.500 24 HB3 ASN 4 HB3 ASN 4 22.091 28.475 18.377 25 HD21 ASN 4 HD21 ASN 4 18.445 28.991 20.122 26 HD22 ASN 4 HD22 ASN 4 19.194 27.404 20.182 27 H LEU 5 H LEU 5 21.167 25.581 15.254 28 HA LEU 5 HA LEU 5 23.042 23.659 15.845 29 HB2 LEU 5 HB2 LEU 5 21.602 23.710 13.837 30 HB3 LEU 5 HB3 LEU 5 22.522 25.062 13.196 31 HG LEU 5 HG LEU 5 24.545 23.637 13.069 32 HD11 LEU 5 HD11 LEU 5 24.011 21.929 14.772 33 HD12 LEU 5 HD12 LEU 5 22.613 21.401 13.807 34 HD13 LEU 5 HD13 LEU 5 24.271 21.173 13.196 35 HD21 LEU 5 HD21 LEU 5 23.066 23.939 11.119 36 HD22 LEU 5 HD22 LEU 5 23.822 22.342 11.118 37 HD23 LEU 5 HD23 LEU 5 22.116 22.521 11.605 38 H ARG 6 H ARG 6 23.771 26.898 14.510 39 HA ARG 6 HA ARG 6 26.587 26.474 14.233 40 HB2 ARG 6 HB2 ARG 6 24.995 28.218 13.109 41 HB3 ARG 6 HB3 ARG 6 25.237 29.175 14.561 42 HG2 ARG 6 HG2 ARG 6 26.720 30.051 12.993 43 HG3 ARG 6 HG3 ARG 6 27.770 29.083 14.008 44 HD2 ARG 6 HD2 ARG 6 26.607 28.211 11.321 45 HD3 ARG 6 HD3 ARG 6 28.195 28.932 11.517 46 HE ARG 6 HE ARG 6 27.422 26.174 12.032 47 HH11 ARG 6 HH11 ARG 6 29.890 28.534 12.972 48 HH12 ARG 6 HH12 ARG 6 31.048 27.251 13.278 49 HH21 ARG 6 HH21 ARG 6 28.875 24.721 12.474 50 HH22 ARG 6 HH22 ARG 6 30.554 25.164 12.867 51 H ARG 7 H ARG 7 24.869 26.909 17.095 52 HA ARG 7 HA ARG 7 27.324 27.746 18.627 53 HB2 ARG 7 HB2 ARG 7 24.442 27.366 19.579 54 HB3 ARG 7 HB3 ARG 7 25.817 27.865 20.574 55 HG2 ARG 7 HG2 ARG 7 26.118 29.876 19.131 56 HG3 ARG 7 HG3 ARG 7 24.686 29.409 18.199 57 HD2 ARG 7 HD2 ARG 7 23.297 29.577 20.235 58 HD3 ARG 7 HD3 ARG 7 24.730 30.051 21.172 59 HE ARG 7 HE ARG 7 24.686 31.841 19.057 60 HH11 ARG 7 HH11 ARG 7 22.427 31.116 21.662 61 HH12 ARG 7 HH12 ARG 7 21.710 32.704 21.599 62 HH21 ARG 7 HH21 ARG 7 23.911 33.894 19.230 63 HH22 ARG 7 HH22 ARG 7 22.550 34.234 20.290 64 H CYS 8 H CYS 8 24.947 25.135 18.240 65 HA CYS 8 HA CYS 8 26.077 23.368 20.196 66 HB2 CYS 8 HB2 CYS 8 24.296 22.914 17.775 67 HB3 CYS 8 HB3 CYS 8 24.683 21.672 18.969 68 H GLU 9 H GLU 9 26.716 23.654 16.661 69 HA GLU 9 HA GLU 9 28.353 21.351 16.374 70 HB2 GLU 9 HB2 GLU 9 28.245 24.032 14.949 71 HB3 GLU 9 HB3 GLU 9 29.405 22.777 14.487 72 HG2 GLU 9 HG2 GLU 9 27.608 21.166 14.097 73 HG3 GLU 9 HG3 GLU 9 26.395 22.354 14.553 74 H LEU 10 H LEU 10 29.289 24.598 17.569 75 HA LEU 10 HA LEU 10 32.117 24.134 17.598 76 HB2 LEU 10 HB2 LEU 10 30.535 25.885 19.514 77 HB3 LEU 10 HB3 LEU 10 32.228 26.046 19.063 78 HG LEU 10 HG LEU 10 29.810 26.549 17.276 79 HD11 LEU 10 HD11 LEU 10 31.899 28.442 18.425 80 HD12 LEU 10 HD12 LEU 10 30.554 28.885 17.355 81 HD13 LEU 10 HD13 LEU 10 30.220 28.278 18.983 82 HD21 LEU 10 HD21 LEU 10 31.630 25.703 15.868 83 HD22 LEU 10 HD22 LEU 10 31.448 27.445 15.634 84 HD23 LEU 10 HD23 LEU 10 32.776 26.822 16.633 85 H SER 11 H SER 11 29.582 23.425 19.966 86 HA SER 11 HA SER 11 31.282 22.460 22.091 87 HB2 SER 11 HB2 SER 11 28.879 23.159 22.291 88 HB3 SER 11 HB3 SER 11 28.408 21.670 21.459 89 HG SER 11 HG SER 11 29.051 20.483 23.146 90 H CYS 12 H CYS 12 29.610 20.787 19.363 91 HA CYS 12 HA CYS 12 30.617 18.186 20.047 92 HB2 CYS 12 HB2 CYS 12 29.774 19.190 17.317 93 HB3 CYS 12 HB3 CYS 12 29.911 17.515 17.854 94 H ARG 13 H ARG 13 31.912 20.682 17.693 95 HA ARG 13 HA ARG 13 34.170 19.232 16.842 96 HB2 ARG 13 HB2 ARG 13 33.443 22.171 17.176 97 HB3 ARG 13 HB3 ARG 13 34.972 21.678 16.486 98 HG2 ARG 13 HG2 ARG 13 32.365 20.581 15.367 99 HG3 ARG 13 HG3 ARG 13 32.959 22.164 14.880 100 HD2 ARG 13 HD2 ARG 13 34.681 19.656 14.684 101 HD3 ARG 13 HD3 ARG 13 33.586 20.177 13.392 102 HE ARG 13 HE ARG 13 34.953 22.460 13.866 103 HH11 ARG 13 HH11 ARG 13 36.146 19.211 13.115 104 HH12 ARG 13 HH12 ARG 13 37.415 19.878 12.103 105 HH21 ARG 13 HH21 ARG 13 36.742 23.150 12.586 106 HH22 ARG 13 HH22 ARG 13 37.693 21.895 11.811 107 H SER 14 H SER 14 33.587 20.872 19.889 108 HA SER 14 HA SER 14 36.390 20.767 20.714 109 HB2 SER 14 HB2 SER 14 33.897 21.204 22.413 110 HB3 SER 14 HB3 SER 14 35.572 21.530 22.885 111 HG SER 14 HG SER 14 34.139 22.762 20.730 112 H LEU 15 H LEU 15 33.670 18.553 20.894 113 HA LEU 15 HA LEU 15 35.123 16.593 22.561 114 HB2 LEU 15 HB2 LEU 15 32.492 16.549 21.050 115 HB3 LEU 15 HB3 LEU 15 33.109 15.164 21.940 116 HG LEU 15 HG LEU 15 32.494 17.862 23.221 117 HD11 LEU 15 HD11 LEU 15 30.434 16.755 24.026 118 HD12 LEU 15 HD12 LEU 15 30.467 16.852 22.248 119 HD13 LEU 15 HD13 LEU 15 30.822 15.316 23.066 120 HD21 LEU 15 HD21 LEU 15 32.975 15.071 24.384 121 HD22 LEU 15 HD22 LEU 15 34.056 16.475 24.547 122 HD23 LEU 15 HD23 LEU 15 32.467 16.496 25.310 123 H GLY 16 H GLY 16 35.423 17.590 19.373 124 HA2 GLY 16 HA2 GLY 16 36.723 16.700 17.671 125 HA3 GLY 16 HA3 GLY 16 36.814 15.144 18.502 126 H LEU 17 H LEU 17 33.732 16.750 17.861 127 HA LEU 17 HA LEU 17 33.022 14.720 15.783 128 HB2 LEU 17 HB2 LEU 17 30.805 15.582 17.524 129 HB3 LEU 17 HB3 LEU 17 31.162 14.001 16.870 130 HG LEU 17 HG LEU 17 32.484 15.248 19.246 131 HD11 LEU 17 HD11 LEU 17 30.090 13.411 19.170 132 HD12 LEU 17 HD12 LEU 17 31.078 13.678 20.628 133 HD13 LEU 17 HD13 LEU 17 30.257 15.037 19.895 134 HD21 LEU 17 HD21 LEU 17 33.751 13.293 18.228 135 HD22 LEU 17 HD22 LEU 17 33.165 12.918 19.840 136 HD23 LEU 17 HD23 LEU 17 32.298 12.309 18.400 137 H LEU 18 H LEU 18 30.692 15.323 15.034 138 HA LEU 18 HA LEU 18 30.584 18.204 14.201 139 HB2 LEU 18 HB2 LEU 18 29.848 15.637 12.814 140 HB3 LEU 18 HB3 LEU 18 28.767 16.995 12.576 141 HG LEU 18 HG LEU 18 30.378 16.822 10.778 142 HD11 LEU 18 HD11 LEU 18 30.994 19.310 12.413 143 HD12 LEU 18 HD12 LEU 18 31.110 19.110 10.664 144 HD13 LEU 18 HD13 LEU 18 29.518 19.062 11.439 145 HD21 LEU 18 HD21 LEU 18 32.292 15.849 11.980 146 HD22 LEU 18 HD22 LEU 18 32.750 17.276 11.046 147 HD23 LEU 18 HD23 LEU 18 32.575 17.404 12.801 148 H GLY 19 H GLY 19 28.376 19.109 14.076 149 HA2 GLY 19 HA2 GLY 19 26.619 18.073 16.288 150 HA3 GLY 19 HA3 GLY 19 26.822 19.777 15.915 151 H GLU 20 H GLU 20 24.386 18.289 16.095 152 HA GLU 20 HA GLU 20 23.198 18.898 13.440 153 HB2 GLU 20 HB2 GLU 20 23.863 16.581 13.245 154 HB3 GLU 20 HB3 GLU 20 23.243 16.210 14.842 155 HG2 GLU 20 HG2 GLU 20 21.757 15.259 13.298 156 HG3 GLU 20 HG3 GLU 20 20.910 16.620 14.009 157 H CYS 21 H CYS 21 21.025 19.425 13.511 158 HA CYS 21 HA CYS 21 19.684 19.589 16.195 159 HB2 CYS 21 HB2 CYS 21 19.524 21.288 13.707 160 HB3 CYS 21 HB3 CYS 21 18.144 21.177 14.786 161 H ILE 22 H ILE 22 18.205 18.073 16.533 162 HA ILE 22 HA ILE 22 16.512 17.103 14.266 163 HB ILE 22 HB ILE 22 17.398 15.503 16.683 164 HG12 ILE 22 HG12 ILE 22 19.185 15.574 15.047 165 HG13 ILE 22 HG13 ILE 22 18.485 13.973 15.155 166 HG21 ILE 22 HG21 ILE 22 15.094 14.958 16.159 167 HG22 ILE 22 HG22 ILE 22 15.466 14.778 14.435 168 HG23 ILE 22 HG23 ILE 22 16.123 13.634 15.627 169 HD11 ILE 22 HD11 ILE 22 19.024 14.550 12.837 170 HD12 ILE 22 HD12 ILE 22 17.280 14.308 13.022 171 HD13 ILE 22 HD13 ILE 22 17.947 15.952 12.898 172 H GLY 23 H GLY 23 14.484 17.657 14.429 173 HA2 GLY 23 HA2 GLY 23 12.597 18.713 15.249 174 HA3 GLY 23 HA3 GLY 23 13.001 18.113 16.858 175 H GLU 24 H GLU 24 13.563 19.577 18.278 176 HA GLU 24 HA GLU 24 14.750 22.169 17.431 177 HB2 GLU 24 HB2 GLU 24 13.396 23.372 19.005 178 HB3 GLU 24 HB3 GLU 24 12.452 22.508 17.793 179 HG2 GLU 24 HG2 GLU 24 12.023 20.702 19.535 180 HG3 GLU 24 HG3 GLU 24 12.793 21.759 20.724 181 H GLU 25 H GLU 25 15.916 19.615 18.735 182 HA GLU 25 HA GLU 25 17.549 21.092 20.730 183 HB2 GLU 25 HB2 GLU 25 16.371 18.339 21.214 184 HB3 GLU 25 HB3 GLU 25 17.572 19.121 22.231 185 HG2 GLU 25 HG2 GLU 25 14.715 20.080 21.772 186 HG3 GLU 25 HG3 GLU 25 15.311 19.235 23.187 187 H CYS 26 H CYS 26 19.659 20.551 20.870 188 HA CYS 26 HA CYS 26 20.772 19.509 18.414 189 HB2 CYS 26 HB2 CYS 26 22.014 20.641 20.945 190 HB3 CYS 26 HB3 CYS 26 22.913 20.233 19.487 191 H LYS 27 H LYS 27 22.201 17.876 18.082 192 HA LYS 27 HA LYS 27 23.106 16.080 20.272 193 HB2 LYS 27 HB2 LYS 27 22.649 14.133 19.035 194 HB3 LYS 27 HB3 LYS 27 21.150 15.055 19.101 195 HG2 LYS 27 HG2 LYS 27 21.644 15.905 16.770 196 HG3 LYS 27 HG3 LYS 27 23.068 14.854 16.726 197 HD2 LYS 27 HD2 LYS 27 20.195 13.956 17.065 198 HD3 LYS 27 HD3 LYS 27 21.148 13.855 15.561 199 HE2 LYS 27 HE2 LYS 27 22.778 12.350 16.767 200 HE3 LYS 27 HE3 LYS 27 21.736 12.451 18.191 201 HZ1 LYS 27 HZ1 LYS 27 21.124 11.090 15.642 202 HZ2 LYS 27 HZ2 LYS 27 21.063 10.503 17.160 203 HZ3 LYS 27 HZ3 LYS 27 19.917 11.548 16.691 204 H CYS 28 H CYS 28 25.008 14.711 19.457 205 HA CYS 28 HA CYS 28 26.594 16.121 17.335 206 HB2 CYS 28 HB2 CYS 28 27.699 14.698 19.767 207 HB3 CYS 28 HB3 CYS 28 28.629 15.489 18.492 208 H VAL 29 H VAL 29 27.947 14.818 16.022 209 HA VAL 29 HA VAL 29 27.165 11.956 15.872 210 HB VAL 29 HB VAL 29 26.910 12.183 13.421 211 HG11 VAL 29 HG11 VAL 29 24.923 13.815 15.041 212 HG12 VAL 29 HG12 VAL 29 24.634 12.988 13.495 213 HG13 VAL 29 HG13 VAL 29 24.985 12.040 14.947 214 HG21 VAL 29 HG21 VAL 29 26.336 14.393 12.464 215 HG22 VAL 29 HG22 VAL 29 26.836 15.188 13.964 216 HG23 VAL 29 HG23 VAL 29 28.019 14.303 12.969 217 HA PRO 30 HA PRO 30 31.419 11.201 15.221 218 HB2 PRO 30 HB2 PRO 30 31.392 8.614 14.376 219 HB3 PRO 30 HB3 PRO 30 30.834 9.091 16.018 220 HG2 PRO 30 HG2 PRO 30 29.156 8.613 13.520 221 HG3 PRO 30 HG3 PRO 30 28.912 7.931 15.160 222 HD2 PRO 30 HD2 PRO 30 27.571 10.129 14.331 223 HD3 PRO 30 HD3 PRO 30 28.144 9.970 16.014 224 H TYR 31 H TYR 31 29.452 11.522 12.506 225 HA TYR 31 HA TYR 31 30.745 10.293 10.407 226 HB2 TYR 31 HB2 TYR 31 29.376 12.983 10.185 227 HB3 TYR 31 HB3 TYR 31 29.462 11.715 8.962 228 HD1 TYR 31 HD1 TYR 31 27.030 13.242 10.250 229 HD2 TYR 31 HD2 TYR 31 28.720 9.321 10.807 230 HE1 TYR 31 HE1 TYR 31 24.844 12.405 11.076 231 HE2 TYR 31 HE2 TYR 31 26.545 8.502 11.658 232 HH TYR 31 HH TYR 31 24.388 9.031 12.143
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