NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
577280 | 2mpg | 19978 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 2.523 -0.735 -0.144 2 H2 GLY 1 2H GLY 1 3.499 0.404 -0.630 3 HA2 GLY 1 1HA GLY 1 4.665 -1.069 -2.153 4 HA3 GLY 1 2HA GLY 1 3.491 -2.296 -1.682 5 H ILE 2 H ILE 2 3.914 -1.842 -4.242 6 HA ILE 2 HA ILE 2 2.323 0.149 -5.462 7 HB ILE 2 HB ILE 2 2.825 -2.667 -6.626 8 HG12 ILE 2 1HG1 ILE 2 4.772 -1.089 -7.788 9 HG13 ILE 2 2HG1 ILE 2 4.780 -0.493 -6.130 10 HG21 ILE 2 1HG2 ILE 2 2.603 0.002 -8.048 11 HG22 ILE 2 2HG2 ILE 2 2.780 -1.566 -8.793 12 HG23 ILE 2 3HG2 ILE 2 1.281 -1.191 -7.916 13 HD11 ILE 2 3HD1 ILE 2 5.088 -3.451 -6.910 14 HD12 ILE 2 1HD1 ILE 2 6.466 -2.338 -6.582 15 HD13 ILE 2 2HD1 ILE 2 5.301 -2.772 -5.297 16 H VAL 3 H VAL 3 1.516 -3.220 -4.439 17 HA VAL 3 HA VAL 3 -1.027 -3.307 -5.703 18 HB VAL 3 HB VAL 3 -0.203 -4.611 -3.079 19 HG11 VAL 3 1HG1 VAL 3 -2.631 -4.798 -3.307 20 HG12 VAL 3 2HG1 VAL 3 -2.505 -5.205 -5.004 21 HG13 VAL 3 3HG1 VAL 3 -1.968 -6.336 -3.783 22 HG21 VAL 3 3HG2 VAL 3 0.090 -5.561 -5.951 23 HG22 VAL 3 1HG2 VAL 3 1.372 -5.301 -4.749 24 HG23 VAL 3 2HG2 VAL 3 0.205 -6.619 -4.558 25 H GLU 4 H GLU 4 -0.166 -2.347 -2.379 26 HA GLU 4 HA GLU 4 -2.819 -1.675 -1.590 27 HB2 GLU 4 1HB GLU 4 -0.120 -0.530 -0.636 28 HB3 GLU 4 2HB GLU 4 -1.635 -0.446 0.257 29 HG2 GLU 4 1HG GLU 4 -0.925 -2.220 1.328 30 HG3 GLU 4 2HG GLU 4 -1.367 -3.137 -0.112 31 HE2 GLU 4 HE2 GLU 4 0.959 -2.314 1.829 32 H GLN 5 H GLN 5 -0.183 0.367 -3.020 33 HA GLN 5 HA GLN 5 -1.750 2.779 -2.740 34 HB2 GLN 5 1HB GLN 5 0.735 2.685 -3.119 35 HB3 GLN 5 2HB GLN 5 0.437 2.117 -4.764 36 HG2 GLN 5 1HG GLN 5 -0.632 4.311 -5.286 37 HG3 GLN 5 2HG GLN 5 -0.617 4.782 -3.606 38 HE21 GLN 5 2HE2 GLN 5 0.530 6.670 -5.012 39 HE22 GLN 5 1HE2 GLN 5 2.295 6.551 -4.960 40 H CYS 6 H CYS 6 -1.446 0.327 -5.475 41 HA CYS 6 HA CYS 6 -3.254 2.049 -7.089 42 HB2 CYS 6 1HB CYS 6 -2.144 -0.798 -7.517 43 HB3 CYS 6 2HB CYS 6 -3.187 0.093 -8.628 44 H CYS 7 H CYS 7 -3.746 -0.265 -4.611 45 HA CYS 7 HA CYS 7 -6.400 -1.065 -5.471 46 HB2 CYS 7 1HB CYS 7 -4.857 -2.102 -3.654 47 HB3 CYS 7 2HB CYS 7 -5.457 -0.810 -2.611 48 H THR 8 H THR 8 -4.954 1.580 -3.692 49 HA THR 8 HA THR 8 -7.668 2.721 -3.239 50 HB THR 8 HB THR 8 -5.951 2.342 -1.379 51 HG1 THR 8 HG1 THR 8 -7.098 4.922 -1.784 52 HG21 THR 8 1HG2 THR 8 -4.843 4.977 -2.346 53 HG22 THR 8 2HG2 THR 8 -4.021 3.412 -2.521 54 HG23 THR 8 3HG2 THR 8 -4.356 4.070 -0.913 55 H SER 9 H SER 9 -5.423 3.039 -5.626 56 HA SER 9 HA SER 9 -6.371 5.797 -6.252 57 HB2 SER 9 1HB SER 9 -4.128 5.892 -5.055 58 HB3 SER 9 2HB SER 9 -3.449 4.948 -6.430 59 HG SER 9 HG SER 9 -3.055 6.980 -6.986 60 H ILE 10 H ILE 10 -6.014 6.299 -8.526 61 HA ILE 10 HA ILE 10 -6.455 4.056 -10.279 62 HB ILE 10 HB ILE 10 -6.096 7.031 -10.752 63 HG12 ILE 10 1HG1 ILE 10 -8.637 5.869 -11.536 64 HG13 ILE 10 2HG1 ILE 10 -8.216 5.313 -9.915 65 HG21 ILE 10 1HG2 ILE 10 -5.270 5.901 -12.730 66 HG22 ILE 10 2HG2 ILE 10 -6.723 4.847 -12.794 67 HG23 ILE 10 3HG2 ILE 10 -6.879 6.615 -13.070 68 HD11 ILE 10 3HD1 ILE 10 -7.942 7.679 -9.175 69 HD12 ILE 10 1HD1 ILE 10 -8.312 8.236 -10.847 70 HD13 ILE 10 2HD1 ILE 10 -9.577 7.424 -9.876 71 H CYS 11 H CYS 11 -4.899 3.059 -11.626 72 HA CYS 11 HA CYS 11 -2.214 4.305 -11.762 73 HB2 CYS 11 1HB CYS 11 -3.020 1.524 -11.008 74 HB3 CYS 11 2HB CYS 11 -1.417 1.945 -11.627 75 H SER 12 H SER 12 -2.743 5.104 -13.747 76 HA SER 12 HA SER 12 -3.378 3.337 -15.969 77 HB2 SER 12 1HB SER 12 -2.804 5.235 -17.325 78 HB3 SER 12 2HB SER 12 -3.624 5.906 -15.934 79 HG SER 12 HG SER 12 -1.860 6.871 -15.385 80 H LEU 13 H LEU 13 -1.850 2.759 -17.680 81 HA LEU 13 HA LEU 13 0.589 1.600 -16.970 82 HB2 LEU 13 1HB LEU 13 -0.018 2.951 -19.612 83 HB3 LEU 13 2HB LEU 13 1.258 1.797 -19.361 84 HG LEU 13 HG LEU 13 -1.736 1.039 -18.863 85 HD11 LEU 13 1HD1 LEU 13 -1.251 1.764 -21.163 86 HD12 LEU 13 2HD1 LEU 13 -1.746 0.097 -21.032 87 HD13 LEU 13 3HD1 LEU 13 -0.026 0.494 -21.309 88 HD21 LEU 13 3HD2 LEU 13 0.082 -0.474 -17.777 89 HD22 LEU 13 1HD2 LEU 13 0.850 -0.688 -19.375 90 HD23 LEU 13 2HD2 LEU 13 -0.791 -1.290 -19.018 91 H TYR 14 H TYR 14 0.004 5.100 -17.654 92 HA TYR 14 HA TYR 14 2.828 5.875 -17.911 93 HB2 TYR 14 1HB TYR 14 0.943 7.340 -18.699 94 HB3 TYR 14 2HB TYR 14 0.467 7.618 -17.044 95 HD1 TYR 14 HD2 TYR 14 3.134 8.100 -19.544 96 HD2 TYR 14 HD1 TYR 14 1.732 9.058 -15.619 97 HE1 TYR 14 HE2 TYR 14 5.241 9.135 -18.687 98 HE2 TYR 14 HE1 TYR 14 3.411 10.815 -15.444 99 HH TYR 14 HH TYR 14 5.642 11.649 -17.988 100 H GLN 15 H GLN 15 0.588 5.673 -15.166 101 HA GLN 15 HA GLN 15 2.576 6.595 -13.267 102 HB2 GLN 15 1HB GLN 15 -0.077 5.060 -12.983 103 HB3 GLN 15 2HB GLN 15 0.927 5.593 -11.618 104 HG2 GLN 15 1HG GLN 15 0.491 7.919 -12.194 105 HG3 GLN 15 2HG GLN 15 -0.184 7.484 -13.765 106 HE21 GLN 15 2HE2 GLN 15 -0.837 7.793 -10.407 107 HE22 GLN 15 1HE2 GLN 15 -2.542 7.407 -10.505 108 H LEU 16 H LEU 16 1.371 3.361 -14.335 109 HA LEU 16 HA LEU 16 2.842 1.893 -12.465 110 HB2 LEU 16 1HB LEU 16 1.857 1.261 -15.224 111 HB3 LEU 16 2HB LEU 16 2.694 0.066 -14.270 112 HG LEU 16 HG LEU 16 0.064 1.424 -13.574 113 HD11 LEU 16 1HD1 LEU 16 0.445 -1.562 -14.148 114 HD12 LEU 16 2HD1 LEU 16 -0.014 -0.379 -15.405 115 HD13 LEU 16 3HD1 LEU 16 -1.076 -0.638 -13.994 116 HD21 LEU 16 3HD2 LEU 16 -0.075 -0.119 -11.651 117 HD22 LEU 16 1HD2 LEU 16 1.364 0.858 -11.523 118 HD23 LEU 16 2HD2 LEU 16 1.503 -0.821 -12.083 119 H GLU 17 H GLU 17 3.933 3.463 -15.426 120 HA GLU 17 HA GLU 17 6.373 2.013 -15.759 121 HB2 GLU 17 1HB GLU 17 5.462 4.785 -16.342 122 HB3 GLU 17 2HB GLU 17 7.174 4.397 -16.521 123 HG2 GLU 17 1HG GLU 17 6.671 2.657 -18.102 124 HG3 GLU 17 2HG GLU 17 4.927 2.982 -17.966 125 HE2 GLU 17 HE2 GLU 17 6.845 3.187 -20.031 126 H ASN 18 H ASN 18 5.537 4.432 -13.283 127 HA ASN 18 HA ASN 18 8.243 5.147 -12.663 128 HB2 ASN 18 1HB ASN 18 5.640 5.296 -11.081 129 HB3 ASN 18 2HB ASN 18 7.135 5.937 -10.495 130 HD21 ASN 18 2HD2 ASN 18 4.750 7.401 -10.927 131 HD22 ASN 18 1HD2 ASN 18 5.041 8.547 -12.172 132 H TYR 19 H TYR 19 6.346 2.311 -11.937 133 HA TYR 19 HA TYR 19 8.025 1.620 -9.584 134 HB2 TYR 19 1HB TYR 19 5.839 0.125 -11.072 135 HB3 TYR 19 2HB TYR 19 6.590 -0.432 -9.589 136 HD1 TYR 19 HD1 TYR 19 6.393 1.188 -7.507 137 HD2 TYR 19 HD2 TYR 19 3.872 1.445 -10.983 138 HE1 TYR 19 HE1 TYR 19 4.675 2.505 -6.170 139 HE2 TYR 19 HE2 TYR 19 2.205 2.735 -9.648 140 HH TYR 19 HH TYR 19 2.638 3.424 -6.211 141 H CYS 20 H CYS 20 8.155 1.432 -12.959 142 HA CYS 20 HA CYS 20 9.889 -1.038 -12.917 143 HB2 CYS 20 1HB CYS 20 8.856 0.731 -15.169 144 HB3 CYS 20 2HB CYS 20 10.026 -0.541 -15.399 145 H ASN 21 H ASN 21 10.453 1.887 -11.856 146 HA ASN 21 HA ASN 21 12.549 2.992 -13.446 147 HB2 ASN 21 1HB ASN 21 11.437 4.409 -11.874 148 HB3 ASN 21 2HB ASN 21 11.882 3.323 -10.469 149 HD21 ASN 21 2HD2 ASN 21 13.363 4.415 -9.250 150 HD22 ASN 21 1HD2 ASN 21 14.701 5.227 -9.892 151 HXT ASN 21 H02 ASN 21 15.168 0.965 -12.704 152 H1 PHE 1 1H PHE 1 -6.874 0.284 -22.673 153 H2 PHE 1 2H PHE 1 -7.985 -0.905 -22.261 154 HA PHE 1 HA PHE 1 -6.763 -1.584 -20.349 155 HB2 PHE 1 1HB PHE 1 -4.522 -0.998 -21.455 156 HB3 PHE 1 2HB PHE 1 -4.913 0.723 -21.191 157 HD1 PHE 1 HD2 PHE 1 -4.055 -2.567 -19.542 158 HD2 PHE 1 HD1 PHE 1 -4.762 1.712 -19.029 159 HE1 PHE 1 HE2 PHE 1 -3.176 -2.722 -17.267 160 HE2 PHE 1 HE1 PHE 1 -3.861 1.553 -16.794 161 HZ PHE 1 HZ PHE 1 -3.078 -0.659 -15.803 162 H VAL 2 H VAL 2 -8.446 -0.929 -19.143 163 HA VAL 2 HA VAL 2 -9.574 1.679 -18.952 164 HB VAL 2 HB VAL 2 -10.601 -0.591 -18.128 165 HG11 VAL 2 1HG1 VAL 2 -10.147 -1.402 -15.877 166 HG12 VAL 2 2HG1 VAL 2 -8.586 -1.185 -16.676 167 HG13 VAL 2 3HG1 VAL 2 -9.134 0.011 -15.480 168 HG21 VAL 2 3HG2 VAL 2 -11.578 1.771 -17.678 169 HG22 VAL 2 1HG2 VAL 2 -12.142 0.447 -16.633 170 HG23 VAL 2 2HG2 VAL 2 -10.906 1.619 -16.032 171 H ASN 3 H ASN 3 -9.212 3.495 -17.543 172 HA ASN 3 HA ASN 3 -6.598 3.277 -16.019 173 HB2 ASN 3 1HB ASN 3 -8.064 5.733 -17.200 174 HB3 ASN 3 2HB ASN 3 -6.794 5.867 -15.950 175 HD21 ASN 3 2HD2 ASN 3 -6.175 3.313 -18.074 176 HD22 ASN 3 1HD2 ASN 3 -5.066 4.105 -19.110 177 H GLN 4 H GLN 4 -7.851 1.970 -14.402 178 HA GLN 4 HA GLN 4 -9.425 3.819 -12.601 179 HB2 GLN 4 1HB GLN 4 -10.358 1.593 -14.041 180 HB3 GLN 4 2HB GLN 4 -10.301 1.087 -12.375 181 HG2 GLN 4 1HG GLN 4 -12.560 2.016 -13.043 182 HG3 GLN 4 2HG GLN 4 -11.805 2.979 -11.775 183 HE21 GLN 4 2HE2 GLN 4 -11.989 5.164 -12.180 184 HE22 GLN 4 1HE2 GLN 4 -12.142 5.881 -13.761 185 H HIS 5 H HIS 5 -9.741 2.027 -10.534 186 HA HIS 5 HA HIS 5 -7.003 1.844 -9.420 187 HB2 HIS 5 1HB HIS 5 -9.683 0.793 -8.388 188 HB3 HIS 5 2HB HIS 5 -8.165 0.629 -7.524 189 HD1 HIS 5 HD1 HIS 5 -8.574 2.145 -5.569 190 HD2 HIS 5 HD2 HIS 5 -9.698 3.960 -9.148 191 HE1 HIS 5 HE1 HIS 5 -9.208 4.568 -4.957 192 HE2 HIS 5 H01 HIS 5 -9.847 5.643 -7.204 193 H LEU 6 H LEU 6 -5.843 0.019 -9.011 194 HA LEU 6 HA LEU 6 -6.890 -2.510 -10.236 195 HB2 LEU 6 1HB LEU 6 -4.074 -1.371 -10.305 196 HB3 LEU 6 2HB LEU 6 -4.520 -2.953 -10.917 197 HG LEU 6 HG LEU 6 -5.602 -0.357 -12.058 198 HD11 LEU 6 1HD1 LEU 6 -3.496 -2.213 -13.259 199 HD12 LEU 6 2HD1 LEU 6 -3.144 -0.637 -12.444 200 HD13 LEU 6 3HD1 LEU 6 -4.132 -0.667 -13.900 201 HD21 LEU 6 3HD2 LEU 6 -5.801 -3.283 -12.909 202 HD22 LEU 6 1HD2 LEU 6 -6.233 -1.894 -13.948 203 HD23 LEU 6 2HD2 LEU 6 -7.136 -2.180 -12.477 204 H CYS 7 H CYS 7 -7.490 -3.274 -8.175 205 HA CYS 7 HA CYS 7 -5.434 -3.506 -6.107 206 HB2 CYS 7 1HB CYS 7 -7.866 -2.909 -5.741 207 HB3 CYS 7 2HB CYS 7 -8.239 -4.591 -5.969 208 H AIB 8 H AIB 8 -7.637 -5.770 -7.974 209 HB11 AIB 8 1HB1 AIB 8 -8.829 -7.838 -8.687 210 HB12 AIB 8 3HB1 AIB 8 -7.728 -8.880 -9.638 211 HB13 AIB 8 1HB2 AIB 8 -7.736 -7.114 -9.911 212 HB21 AIB 8 3HB2 AIB 8 -6.951 -9.725 -7.132 213 HB22 AIB 8 2HB1 AIB 8 -7.900 -8.455 -6.393 214 HB23 AIB 8 2HB2 AIB 8 -6.187 -8.550 -6.119 215 H SER 9 H SER 9 -5.894 -9.980 -8.903 216 HA SER 9 HA SER 9 -3.140 -9.718 -9.374 217 HB2 SER 9 1HB SER 9 -4.352 -11.924 -9.390 218 HB3 SER 9 2HB SER 9 -5.138 -11.393 -10.929 219 HG SER 9 HG SER 9 -3.335 -12.793 -11.269 220 H HIS 10 H HIS 10 -5.779 -8.394 -11.163 221 HA HIS 10 HA HIS 10 -4.632 -7.981 -13.720 222 HB2 HIS 10 1HB HIS 10 -6.340 -6.117 -12.090 223 HB3 HIS 10 2HB HIS 10 -6.222 -6.146 -13.837 224 HD1 HIS 10 HD1 HIS 10 -8.985 -6.471 -12.289 225 HD2 HIS 10 HD2 HIS 10 -6.650 -9.628 -13.798 226 HE1 HIS 10 HE1 HIS 10 -10.532 -8.441 -12.612 227 HE2 HIS 10 H01 HIS 10 -9.132 -10.321 -13.595 228 H LEU 11 H LEU 11 -3.941 -6.308 -10.684 229 HA LEU 11 HA LEU 11 -2.426 -4.120 -11.840 230 HB2 LEU 11 1HB LEU 11 -3.381 -4.193 -9.554 231 HB3 LEU 11 2HB LEU 11 -2.368 -5.523 -9.122 232 HG LEU 11 HG LEU 11 -1.813 -3.233 -8.181 233 HD11 LEU 11 1HD1 LEU 11 -0.365 -5.286 -8.172 234 HD12 LEU 11 2HD1 LEU 11 0.478 -3.715 -7.985 235 HD13 LEU 11 3HD1 LEU 11 0.499 -4.557 -9.558 236 HD21 LEU 11 3HD2 LEU 11 -0.403 -1.716 -9.445 237 HD22 LEU 11 1HD2 LEU 11 -1.864 -1.968 -10.393 238 HD23 LEU 11 2HD2 LEU 11 -0.364 -2.793 -10.835 239 H VAL 12 H VAL 12 -1.503 -7.439 -10.662 240 HA VAL 12 HA VAL 12 1.318 -7.007 -11.034 241 HB VAL 12 HB VAL 12 -0.169 -9.667 -11.037 242 HG11 VAL 12 1HG1 VAL 12 1.957 -10.596 -10.178 243 HG12 VAL 12 2HG1 VAL 12 2.232 -9.790 -11.742 244 HG13 VAL 12 3HG1 VAL 12 2.691 -8.974 -10.231 245 HG21 VAL 12 3HG2 VAL 12 0.281 -9.718 -8.597 246 HG22 VAL 12 1HG2 VAL 12 0.818 -8.035 -8.691 247 HG23 VAL 12 2HG2 VAL 12 -0.876 -8.443 -9.053 248 H GLU 13 H GLU 13 -1.295 -8.495 -13.001 249 HA GLU 13 HA GLU 13 0.371 -9.224 -15.189 250 HB2 GLU 13 1HB GLU 13 -1.983 -9.982 -14.838 251 HB3 GLU 13 2HB GLU 13 -2.589 -8.399 -15.292 252 HG2 GLU 13 1HG GLU 13 -1.745 -8.761 -17.569 253 HG3 GLU 13 2HG GLU 13 -0.752 -10.102 -16.997 254 HE2 GLU 13 HE2 GLU 13 -4.197 -10.908 -18.457 255 H ALA 14 H ALA 14 -1.401 -6.136 -14.586 256 HA ALA 14 HA ALA 14 -0.593 -4.923 -17.051 257 HB1 ALA 14 3HB ALA 14 -1.290 -3.681 -14.370 258 HB2 ALA 14 1HB ALA 14 -1.198 -2.840 -15.919 259 HB3 ALA 14 2HB ALA 14 -2.451 -4.049 -15.666 260 H LEU 15 H LEU 15 0.973 -4.954 -13.808 261 HA LEU 15 HA LEU 15 3.032 -3.086 -14.632 262 HB2 LEU 15 1HB LEU 15 2.370 -4.673 -12.336 263 HB3 LEU 15 2HB LEU 15 3.986 -5.135 -12.762 264 HG LEU 15 HG LEU 15 3.080 -2.310 -12.155 265 HD11 LEU 15 1HD1 LEU 15 4.576 -2.708 -10.165 266 HD12 LEU 15 2HD1 LEU 15 4.589 -4.424 -10.610 267 HD13 LEU 15 3HD1 LEU 15 3.045 -3.653 -10.200 268 HD21 LEU 15 3HD2 LEU 15 5.529 -1.847 -12.110 269 HD22 LEU 15 1HD2 LEU 15 4.948 -2.280 -13.726 270 HD23 LEU 15 2HD2 LEU 15 5.848 -3.430 -12.768 271 H TYR 16 H TYR 16 2.728 -6.660 -14.727 272 HA TYR 16 HA TYR 16 5.332 -7.103 -15.788 273 HB2 TYR 16 1HB TYR 16 4.100 -8.952 -14.883 274 HB3 TYR 16 2HB TYR 16 2.796 -8.647 -16.040 275 HD1 TYR 16 HD2 TYR 16 6.432 -9.558 -15.969 276 HD2 TYR 16 HD1 TYR 16 2.752 -9.834 -18.080 277 HE1 TYR 16 HE2 TYR 16 7.440 -11.137 -17.639 278 HE2 TYR 16 HE1 TYR 16 3.717 -11.409 -19.658 279 HH TYR 16 HH TYR 16 5.543 -12.591 -20.286 280 H LEU 17 H LEU 17 2.246 -6.249 -17.420 281 HA LEU 17 HA LEU 17 3.372 -6.698 -20.050 282 HB2 LEU 17 1HB LEU 17 1.088 -4.931 -19.135 283 HB3 LEU 17 2HB LEU 17 1.532 -5.069 -20.807 284 HG LEU 17 HG LEU 17 0.844 -7.553 -19.178 285 HD11 LEU 17 1HD1 LEU 17 -1.364 -7.617 -20.277 286 HD12 LEU 17 2HD1 LEU 17 -1.126 -5.994 -20.917 287 HD13 LEU 17 3HD1 LEU 17 -1.258 -6.244 -19.168 288 HD21 LEU 17 3HD2 LEU 17 0.398 -8.377 -21.551 289 HD22 LEU 17 1HD2 LEU 17 2.093 -8.014 -21.216 290 HD23 LEU 17 2HD2 LEU 17 1.115 -6.869 -22.167 291 H VAL 18 H VAL 18 3.225 -3.768 -17.981 292 HA VAL 18 HA VAL 18 4.413 -2.212 -20.135 293 HB VAL 18 HB VAL 18 2.877 -1.199 -18.361 294 HG11 VAL 18 1HG1 VAL 18 5.323 -1.353 -16.567 295 HG12 VAL 18 2HG1 VAL 18 3.889 -0.331 -16.255 296 HG13 VAL 18 3HG1 VAL 18 3.753 -2.113 -16.332 297 HG21 VAL 18 3HG2 VAL 18 4.026 0.965 -18.255 298 HG22 VAL 18 1HG2 VAL 18 5.530 0.171 -18.788 299 HG23 VAL 18 2HG2 VAL 18 4.107 0.234 -19.858 300 H CYS 19 H CYS 19 5.748 -3.941 -17.368 301 HA CYS 19 HA CYS 19 8.420 -2.798 -17.636 302 HB2 CYS 19 1HB CYS 19 7.059 -4.513 -15.774 303 HB3 CYS 19 2HB CYS 19 8.592 -5.190 -16.235 304 H GLY 20 H GLY 20 6.724 -5.632 -18.910 305 HA2 GLY 20 1HA GLY 20 7.448 -6.896 -20.711 306 HA3 GLY 20 2HA GLY 20 8.945 -5.982 -20.789 307 H GLU 21 H GLU 21 10.366 -6.427 -18.505 308 HA GLU 21 HA GLU 21 10.468 -9.430 -18.475 309 HB2 GLU 21 1HB GLU 21 12.794 -7.447 -18.521 310 HB3 GLU 21 2HB GLU 21 12.953 -9.167 -18.274 311 HG2 GLU 21 1HG GLU 21 11.825 -9.553 -20.480 312 HG3 GLU 21 2HG GLU 21 12.033 -7.824 -20.799 313 HE2 GLU 21 HE2 GLU 21 15.262 -8.230 -21.702 314 H ARG 22 H ARG 22 9.040 -8.181 -16.484 315 HA ARG 22 HA ARG 22 8.703 -8.143 -14.214 316 HB2 ARG 22 1HB ARG 22 10.839 -10.278 -14.260 317 HB3 ARG 22 2HB ARG 22 9.769 -9.941 -12.916 318 HG2 ARG 22 1HG ARG 22 8.558 -10.596 -15.526 319 HG3 ARG 22 2HG ARG 22 9.223 -11.889 -14.516 320 HD2 ARG 22 1HD ARG 22 7.906 -11.068 -12.609 321 HD3 ARG 22 2HD ARG 22 7.143 -9.837 -13.679 322 HE ARG 22 HE ARG 22 6.909 -12.386 -14.869 323 HH11 ARG 22 1HH1 ARG 22 5.521 -10.658 -12.078 324 HH12 ARG 22 2HH1 ARG 22 4.018 -11.599 -12.124 325 HH21 ARG 22 1HH2 ARG 22 5.031 -13.501 -14.907 326 HH22 ARG 22 2HH2 ARG 22 3.781 -13.185 -13.743 327 H GLY 23 H GLY 23 10.426 -6.057 -14.960 328 HA2 GLY 23 1HA GLY 23 12.592 -5.970 -13.001 329 HA3 GLY 23 2HA GLY 23 12.073 -4.669 -14.106 330 H PHE 24 H PHE 24 10.278 -6.507 -11.663 331 HA PHE 24 HA PHE 24 10.120 -4.140 -9.877 332 HB2 PHE 24 1HB PHE 24 7.650 -4.111 -9.867 333 HB3 PHE 24 2HB PHE 24 8.201 -3.685 -11.478 334 HD1 PHE 24 HD1 PHE 24 7.976 -5.466 -13.331 335 HD2 PHE 24 HD2 PHE 24 6.385 -6.051 -9.354 336 HE1 PHE 24 HE1 PHE 24 6.489 -7.299 -14.183 337 HE2 PHE 24 HE2 PHE 24 4.921 -7.865 -10.217 338 HZ PHE 24 HZ PHE 24 4.966 -8.472 -12.570 339 H PHE 25 H PHE 25 8.884 -4.767 -7.908 340 HA PHE 25 HA PHE 25 8.929 -7.712 -7.378 341 HB2 PHE 25 1HB PHE 25 10.952 -5.957 -6.611 342 HB3 PHE 25 2HB PHE 25 9.927 -5.971 -5.185 343 HD1 PHE 25 HD2 PHE 25 11.724 -8.137 -7.601 344 HD2 PHE 25 HD1 PHE 25 9.897 -7.807 -3.693 345 HE1 PHE 25 HE2 PHE 25 12.620 -10.382 -7.005 346 HE2 PHE 25 HE1 PHE 25 10.911 -9.997 -3.047 347 HZ PHE 25 HZ PHE 25 12.286 -11.255 -4.652 348 H TYR 26 H TYR 26 8.023 -8.108 -5.226 349 HA TYR 26 HA TYR 26 6.847 -7.582 -3.291 350 HB2 TYR 26 1HB TYR 26 6.720 -5.138 -3.730 351 HB3 TYR 26 2HB TYR 26 5.303 -5.406 -4.715 352 HD1 TYR 26 HD1 TYR 26 3.117 -6.006 -3.705 353 HD2 TYR 26 HD2 TYR 26 6.600 -5.338 -1.315 354 HE1 TYR 26 HE1 TYR 26 1.704 -5.857 -1.675 355 HE2 TYR 26 HE2 TYR 26 5.167 -5.135 0.692 356 HH TYR 26 HH TYR 26 3.124 -5.186 1.586 357 H THR 27 H THR 27 5.127 -8.659 -2.497 358 HA THR 27 HA THR 27 2.742 -9.166 -4.162 359 HB THR 27 HB THR 27 4.383 -11.097 -4.724 360 HG1 THR 27 HG1 THR 27 2.787 -12.756 -4.215 361 HG21 THR 27 1HG2 THR 27 4.486 -12.859 -2.891 362 HG22 THR 27 2HG2 THR 27 4.086 -11.544 -1.745 363 HG23 THR 27 3HG2 THR 27 5.595 -11.456 -2.736 364 H LYS 28 H LYS 28 1.104 -10.298 -2.582 365 HA LYS 28 HA LYS 28 0.965 -8.852 -0.175 366 HB2 LYS 28 1HB LYS 28 -0.784 -10.589 0.454 367 HB3 LYS 28 2HB LYS 28 -1.035 -9.788 -1.100 368 HG2 LYS 28 1HG LYS 28 -0.018 -11.815 -2.251 369 HG3 LYS 28 2HG LYS 28 0.134 -12.600 -0.696 370 HD2 LYS 28 1HD LYS 28 -2.371 -12.378 -0.368 371 HD3 LYS 28 2HD LYS 28 -2.439 -11.692 -1.986 372 HE2 LYS 28 1HE LYS 28 -1.516 -13.783 -2.932 373 HE3 LYS 28 2HE LYS 28 -1.379 -14.458 -1.286 374 HZ1 LYS 28 3HZ LYS 28 -3.899 -13.633 -2.560 375 HZ2 LYS 28 1HZ LYS 28 -3.756 -14.247 -1.066 376 HZ3 LYS 28 2HZ LYS 28 -3.438 -15.207 -2.345 377 HA PRO 29 HA PRO 29 4.065 -11.357 1.984 378 HB2 PRO 29 1HB PRO 29 4.219 -9.987 4.335 379 HB3 PRO 29 2HB PRO 29 4.884 -9.328 2.827 380 HG2 PRO 29 1HG PRO 29 2.309 -8.682 4.241 381 HG3 PRO 29 2HG PRO 29 3.472 -7.595 3.366 382 HD2 PRO 29 1HD PRO 29 1.132 -8.502 2.259 383 HD3 PRO 29 2HD PRO 29 2.598 -8.015 1.341 384 H THR 30 H THR 30 2.857 -13.406 2.264 385 HA THR 30 HA THR 30 1.738 -13.804 4.989 386 HB THR 30 HB THR 30 -0.333 -13.235 4.055 387 HG1 THR 30 HG1 THR 30 -0.045 -16.028 3.910 388 HG21 THR 30 1HG2 THR 30 0.300 -13.312 1.649 389 HG22 THR 30 2HG2 THR 30 -1.327 -13.944 2.078 390 HG23 THR 30 3HG2 THR 30 0.018 -15.074 1.717 391 HXT THR 30 H02 THR 30 2.418 -15.310 2.127 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 1.430 1.721 -0.172 2 H2 GLY 1 2H GLY 1 2.273 3.013 -0.759 3 HA2 GLY 1 1HA GLY 1 3.998 1.507 -1.665 4 HA3 GLY 1 2HA GLY 1 3.081 0.128 -0.982 5 H ILE 2 H ILE 2 3.679 -0.345 -3.315 6 HA ILE 2 HA ILE 2 2.441 0.642 -5.608 7 HB ILE 2 HB ILE 2 3.012 -2.338 -5.162 8 HG12 ILE 2 1HG1 ILE 2 4.928 -0.269 -6.217 9 HG13 ILE 2 2HG1 ILE 2 5.049 -0.901 -4.571 10 HG21 ILE 2 1HG2 ILE 2 3.179 -2.558 -7.578 11 HG22 ILE 2 2HG2 ILE 2 1.673 -1.710 -7.275 12 HG23 ILE 2 3HG2 ILE 2 3.115 -0.795 -7.787 13 HD11 ILE 2 3HD1 ILE 2 6.637 -2.144 -5.900 14 HD12 ILE 2 1HD1 ILE 2 5.239 -3.260 -5.755 15 HD13 ILE 2 2HD1 ILE 2 5.494 -2.322 -7.247 16 H VAL 3 H VAL 3 1.202 -2.199 -3.653 17 HA VAL 3 HA VAL 3 -1.187 -2.388 -5.224 18 HB VAL 3 HB VAL 3 -0.707 -3.392 -2.370 19 HG11 VAL 3 1HG1 VAL 3 -3.158 -3.310 -3.087 20 HG12 VAL 3 2HG1 VAL 3 -2.764 -4.254 -4.556 21 HG13 VAL 3 3HG1 VAL 3 -2.611 -4.992 -2.926 22 HG21 VAL 3 3HG2 VAL 3 0.954 -4.426 -3.788 23 HG22 VAL 3 1HG2 VAL 3 -0.352 -5.595 -3.661 24 HG23 VAL 3 2HG2 VAL 3 -0.194 -4.601 -5.140 25 H GLU 4 H GLU 4 -0.617 -0.788 -2.043 26 HA GLU 4 HA GLU 4 -3.284 0.083 -1.655 27 HB2 GLU 4 1HB GLU 4 -1.171 -0.008 -0.111 28 HB3 GLU 4 2HB GLU 4 -0.773 1.566 -0.795 29 HG2 GLU 4 1HG GLU 4 -1.954 1.881 1.315 30 HG3 GLU 4 2HG GLU 4 -3.000 2.404 -0.043 31 HE2 GLU 4 HE2 GLU 4 -5.472 0.663 1.216 32 H GLN 5 H GLN 5 -0.624 1.756 -3.441 33 HA GLN 5 HA GLN 5 -2.141 4.152 -3.874 34 HB2 GLN 5 1HB GLN 5 0.297 4.040 -4.063 35 HB3 GLN 5 2HB GLN 5 0.184 2.946 -5.448 36 HG2 GLN 5 1HG GLN 5 0.830 5.089 -6.157 37 HG3 GLN 5 2HG GLN 5 -0.852 4.854 -6.691 38 HE21 GLN 5 2HE2 GLN 5 -2.175 6.513 -6.267 39 HE22 GLN 5 1HE2 GLN 5 -1.947 7.752 -5.049 40 H CYS 6 H CYS 6 -1.669 1.164 -5.758 41 HA CYS 6 HA CYS 6 -2.872 2.225 -8.203 42 HB2 CYS 6 1HB CYS 6 -0.987 0.630 -8.017 43 HB3 CYS 6 2HB CYS 6 -2.055 -0.558 -7.304 44 H CYS 7 H CYS 7 -3.872 -0.316 -5.843 45 HA CYS 7 HA CYS 7 -6.258 -0.964 -7.242 46 HB2 CYS 7 1HB CYS 7 -4.855 -2.430 -5.735 47 HB3 CYS 7 2HB CYS 7 -5.585 -1.534 -4.372 48 H THR 8 H THR 8 -5.630 1.627 -4.912 49 HA THR 8 HA THR 8 -8.231 1.505 -3.761 50 HB THR 8 HB THR 8 -6.215 2.519 -2.663 51 HG1 THR 8 HG1 THR 8 -7.462 4.568 -2.061 52 HG21 THR 8 1HG2 THR 8 -5.216 4.490 -3.324 53 HG22 THR 8 2HG2 THR 8 -6.687 5.105 -4.113 54 HG23 THR 8 3HG2 THR 8 -5.701 3.872 -4.926 55 H SER 9 H SER 9 -7.217 2.605 -6.802 56 HA SER 9 HA SER 9 -9.808 3.927 -7.212 57 HB2 SER 9 1HB SER 9 -8.051 5.693 -6.549 58 HB3 SER 9 2HB SER 9 -7.242 5.310 -8.062 59 HG SER 9 HG SER 9 -8.642 7.073 -8.276 60 H ILE 10 H ILE 10 -9.430 4.703 -9.791 61 HA ILE 10 HA ILE 10 -8.719 2.298 -11.295 62 HB ILE 10 HB ILE 10 -9.172 5.198 -12.243 63 HG12 ILE 10 1HG1 ILE 10 -11.253 4.256 -11.333 64 HG13 ILE 10 2HG1 ILE 10 -11.350 4.397 -13.091 65 HG21 ILE 10 1HG2 ILE 10 -9.534 4.045 -14.516 66 HG22 ILE 10 2HG2 ILE 10 -7.882 4.120 -13.945 67 HG23 ILE 10 3HG2 ILE 10 -8.782 2.613 -13.792 68 HD11 ILE 10 3HD1 ILE 10 -10.845 1.761 -11.583 69 HD12 ILE 10 1HD1 ILE 10 -12.429 2.320 -12.198 70 HD13 ILE 10 2HD1 ILE 10 -11.107 1.977 -13.341 71 H CYS 11 H CYS 11 -6.729 1.770 -11.960 72 HA CYS 11 HA CYS 11 -4.466 3.495 -11.110 73 HB2 CYS 11 1HB CYS 11 -4.842 1.083 -10.336 74 HB3 CYS 11 2HB CYS 11 -4.469 0.549 -11.964 75 H SER 12 H SER 12 -2.893 4.253 -12.664 76 HA SER 12 HA SER 12 -3.625 3.513 -15.521 77 HB2 SER 12 1HB SER 12 -2.275 6.037 -14.547 78 HB3 SER 12 2HB SER 12 -2.723 5.675 -16.202 79 HG SER 12 HG SER 12 -4.509 5.804 -13.924 80 H LEU 13 H LEU 13 -1.911 3.301 -17.138 81 HA LEU 13 HA LEU 13 0.318 1.873 -16.264 82 HB2 LEU 13 1HB LEU 13 -0.057 3.165 -19.010 83 HB3 LEU 13 2HB LEU 13 1.184 1.928 -18.613 84 HG LEU 13 HG LEU 13 -1.879 1.517 -18.284 85 HD11 LEU 13 1HD1 LEU 13 -1.947 0.360 -20.266 86 HD12 LEU 13 2HD1 LEU 13 -0.177 0.500 -20.512 87 HD13 LEU 13 3HD1 LEU 13 -1.248 1.948 -20.597 88 HD21 LEU 13 3HD2 LEU 13 -0.667 -0.003 -16.807 89 HD22 LEU 13 1HD2 LEU 13 0.474 -0.410 -18.080 90 HD23 LEU 13 2HD2 LEU 13 -1.208 -0.934 -18.170 91 H TYR 14 H TYR 14 0.032 5.314 -16.930 92 HA TYR 14 HA TYR 14 2.813 5.936 -16.918 93 HB2 TYR 14 1HB TYR 14 0.750 7.520 -17.447 94 HB3 TYR 14 2HB TYR 14 0.562 7.671 -15.770 95 HD1 TYR 14 HD1 TYR 14 2.463 8.749 -14.377 96 HD2 TYR 14 HD2 TYR 14 2.479 8.681 -18.696 97 HE1 TYR 14 HE1 TYR 14 4.154 10.436 -14.324 98 HE2 TYR 14 HE2 TYR 14 4.761 9.579 -18.363 99 HH TYR 14 HH TYR 14 5.123 12.206 -15.779 100 H GLN 15 H GLN 15 0.520 5.484 -14.242 101 HA GLN 15 HA GLN 15 2.469 6.129 -12.213 102 HB2 GLN 15 1HB GLN 15 -0.017 4.415 -12.072 103 HB3 GLN 15 2HB GLN 15 0.868 5.074 -10.699 104 HG2 GLN 15 1HG GLN 15 0.238 7.364 -11.335 105 HG3 GLN 15 2HG GLN 15 -0.557 6.797 -12.808 106 HE21 GLN 15 2HE2 GLN 15 -1.282 7.882 -9.880 107 HE22 GLN 15 1HE2 GLN 15 -2.728 7.031 -9.591 108 H LEU 16 H LEU 16 1.281 3.053 -13.673 109 HA LEU 16 HA LEU 16 2.763 1.245 -12.026 110 HB2 LEU 16 1HB LEU 16 1.483 1.173 -14.756 111 HB3 LEU 16 2HB LEU 16 2.625 -0.095 -14.310 112 HG LEU 16 HG LEU 16 0.791 0.398 -12.111 113 HD11 LEU 16 1HD1 LEU 16 -1.167 -0.751 -13.264 114 HD12 LEU 16 2HD1 LEU 16 -0.358 -0.439 -14.823 115 HD13 LEU 16 3HD1 LEU 16 -0.848 0.911 -13.773 116 HD21 LEU 16 3HD2 LEU 16 1.397 -2.074 -13.763 117 HD22 LEU 16 1HD2 LEU 16 0.633 -1.977 -12.139 118 HD23 LEU 16 2HD2 LEU 16 2.340 -1.467 -12.361 119 H GLU 17 H GLU 17 3.928 3.132 -14.825 120 HA GLU 17 HA GLU 17 6.332 1.597 -15.225 121 HB2 GLU 17 1HB GLU 17 5.530 4.494 -15.801 122 HB3 GLU 17 2HB GLU 17 7.200 3.949 -15.942 123 HG2 GLU 17 1HG GLU 17 6.425 2.210 -17.556 124 HG3 GLU 17 2HG GLU 17 4.804 2.919 -17.512 125 HE2 GLU 17 HE2 GLU 17 7.418 4.358 -19.950 126 H ASN 18 H ASN 18 5.422 3.744 -12.588 127 HA ASN 18 HA ASN 18 8.077 4.603 -11.857 128 HB2 ASN 18 1HB ASN 18 5.599 4.107 -10.104 129 HB3 ASN 18 2HB ASN 18 7.107 4.743 -9.469 130 HD21 ASN 18 2HD2 ASN 18 5.461 6.428 -8.855 131 HD22 ASN 18 1HD2 ASN 18 5.212 7.728 -9.975 132 H TYR 19 H TYR 19 6.446 1.584 -11.670 133 HA TYR 19 HA TYR 19 8.420 0.484 -9.695 134 HB2 TYR 19 1HB TYR 19 5.812 -0.787 -10.637 135 HB3 TYR 19 2HB TYR 19 6.743 -1.176 -9.204 136 HD1 TYR 19 HD1 TYR 19 7.161 1.112 -7.610 137 HD2 TYR 19 HD2 TYR 19 3.909 0.434 -10.342 138 HE1 TYR 19 HE1 TYR 19 5.797 2.830 -6.441 139 HE2 TYR 19 HE2 TYR 19 2.547 2.217 -9.153 140 HH TYR 19 HH TYR 19 3.655 3.882 -6.338 141 H CYS 20 H CYS 20 8.462 0.957 -12.791 142 HA CYS 20 HA CYS 20 9.326 -1.825 -13.424 143 HB2 CYS 20 1HB CYS 20 7.374 -0.193 -14.799 144 HB3 CYS 20 2HB CYS 20 8.759 -0.538 -15.847 145 H ASN 21 H ASN 21 11.154 -2.071 -14.722 146 HA ASN 21 HA ASN 21 13.039 0.123 -14.420 147 HB2 ASN 21 1HB ASN 21 14.679 -1.389 -15.463 148 HB3 ASN 21 2HB ASN 21 13.764 -2.273 -14.199 149 HD21 ASN 21 2HD2 ASN 21 12.662 -4.013 -14.721 150 HD22 ASN 21 1HD2 ASN 21 12.466 -4.650 -16.355 151 HXT ASN 21 H02 ASN 21 11.939 0.212 -18.092 152 H1 PHE 1 1H PHE 1 -7.028 1.218 -23.116 153 H2 PHE 1 2H PHE 1 -7.635 0.114 -24.140 154 HA PHE 1 HA PHE 1 -7.178 -1.649 -22.681 155 HB2 PHE 1 1HB PHE 1 -5.872 0.535 -20.937 156 HB3 PHE 1 2HB PHE 1 -5.975 -1.176 -20.498 157 HD1 PHE 1 HD1 PHE 1 -4.155 1.217 -22.760 158 HD2 PHE 1 HD2 PHE 1 -4.482 -2.909 -21.444 159 HE1 PHE 1 HE1 PHE 1 -1.977 0.638 -23.781 160 HE2 PHE 1 HE2 PHE 1 -2.269 -3.362 -22.508 161 HZ PHE 1 HZ PHE 1 -1.085 -1.581 -23.624 162 H VAL 2 H VAL 2 -8.779 -2.274 -21.261 163 HA VAL 2 HA VAL 2 -10.824 -0.296 -20.689 164 HB VAL 2 HB VAL 2 -11.291 -2.788 -20.933 165 HG11 VAL 2 1HG1 VAL 2 -10.330 -2.985 -18.044 166 HG12 VAL 2 2HG1 VAL 2 -11.004 -4.291 -19.024 167 HG13 VAL 2 3HG1 VAL 2 -9.410 -3.592 -19.450 168 HG21 VAL 2 3HG2 VAL 2 -12.292 -1.506 -18.348 169 HG22 VAL 2 1HG2 VAL 2 -12.920 -1.155 -19.968 170 HG23 VAL 2 2HG2 VAL 2 -13.105 -2.769 -19.265 171 H ASN 3 H ASN 3 -10.989 1.040 -18.912 172 HA ASN 3 HA ASN 3 -8.746 1.150 -17.070 173 HB2 ASN 3 1HB ASN 3 -11.389 2.583 -17.411 174 HB3 ASN 3 2HB ASN 3 -10.495 2.776 -15.930 175 HD21 ASN 3 2HD2 ASN 3 -7.962 3.177 -16.504 176 HD22 ASN 3 1HD2 ASN 3 -7.714 4.390 -17.711 177 H GLN 4 H GLN 4 -8.445 0.236 -15.133 178 HA GLN 4 HA GLN 4 -10.764 -0.709 -13.543 179 HB2 GLN 4 1HB GLN 4 -9.324 -2.421 -15.319 180 HB3 GLN 4 2HB GLN 4 -8.651 -2.751 -13.744 181 HG2 GLN 4 1HG GLN 4 -11.651 -2.782 -14.311 182 HG3 GLN 4 2HG GLN 4 -10.627 -4.206 -14.550 183 HE21 GLN 4 2HE2 GLN 4 -12.916 -3.170 -12.680 184 HE22 GLN 4 1HE2 GLN 4 -12.365 -3.698 -11.108 185 H HIS 5 H HIS 5 -9.811 -1.740 -11.481 186 HA HIS 5 HA HIS 5 -7.970 0.167 -10.235 187 HB2 HIS 5 1HB HIS 5 -9.305 -2.393 -9.305 188 HB3 HIS 5 2HB HIS 5 -8.326 -1.330 -8.327 189 HD1 HIS 5 HD1 HIS 5 -9.549 0.495 -7.080 190 HD2 HIS 5 HD2 HIS 5 -11.766 -0.968 -10.357 191 HE1 HIS 5 HE1 HIS 5 -11.844 1.569 -6.907 192 HE2 HIS 5 H01 HIS 5 -13.135 0.685 -8.972 193 H LEU 6 H LEU 6 -7.730 -2.846 -11.927 194 HA LEU 6 HA LEU 6 -6.046 -4.387 -12.256 195 HB2 LEU 6 1HB LEU 6 -4.324 -1.860 -11.912 196 HB3 LEU 6 2HB LEU 6 -3.817 -3.392 -12.682 197 HG LEU 6 HG LEU 6 -6.055 -1.602 -13.659 198 HD11 LEU 6 1HD1 LEU 6 -3.879 -0.435 -13.776 199 HD12 LEU 6 2HD1 LEU 6 -4.569 -0.804 -15.364 200 HD13 LEU 6 3HD1 LEU 6 -3.229 -1.768 -14.690 201 HD21 LEU 6 3HD2 LEU 6 -4.510 -3.844 -15.089 202 HD22 LEU 6 1HD2 LEU 6 -5.847 -2.906 -15.752 203 HD23 LEU 6 2HD2 LEU 6 -6.146 -4.031 -14.428 204 H CYS 7 H CYS 7 -6.799 -4.965 -9.786 205 HA CYS 7 HA CYS 7 -4.476 -4.732 -7.973 206 HB2 CYS 7 1HB CYS 7 -7.115 -6.137 -7.366 207 HB3 CYS 7 2HB CYS 7 -5.930 -5.422 -6.273 208 H AIB 8 H AIB 8 -3.879 -6.654 -6.675 209 HB11 AIB 8 1HB1 AIB 8 -5.063 -9.129 -5.714 210 HB12 AIB 8 3HB1 AIB 8 -4.312 -10.572 -6.326 211 HB13 AIB 8 1HB2 AIB 8 -5.517 -9.788 -7.331 212 HB21 AIB 8 3HB2 AIB 8 -1.886 -9.592 -6.158 213 HB22 AIB 8 2HB1 AIB 8 -2.703 -8.279 -5.283 214 HB23 AIB 8 2HB2 AIB 8 -1.599 -7.892 -6.626 215 H SER 9 H SER 9 -4.173 -10.923 -8.574 216 HA SER 9 HA SER 9 -1.930 -11.356 -10.217 217 HB2 SER 9 1HB SER 9 -3.859 -12.998 -9.803 218 HB3 SER 9 2HB SER 9 -4.778 -12.027 -10.985 219 HG SER 9 HG SER 9 -3.866 -13.203 -12.484 220 H HIS 10 H HIS 10 -4.708 -9.218 -10.783 221 HA HIS 10 HA HIS 10 -4.013 -8.809 -13.590 222 HB2 HIS 10 1HB HIS 10 -5.627 -6.859 -11.938 223 HB3 HIS 10 2HB HIS 10 -5.796 -7.292 -13.655 224 HD1 HIS 10 HD1 HIS 10 -6.576 -9.965 -13.959 225 HD2 HIS 10 HD2 HIS 10 -7.480 -8.088 -10.356 226 HE1 HIS 10 HE1 HIS 10 -8.343 -11.382 -12.859 227 HE2 HIS 10 H01 HIS 10 -8.857 -10.249 -10.622 228 H LEU 11 H LEU 11 -3.057 -7.357 -10.510 229 HA LEU 11 HA LEU 11 -1.716 -5.032 -11.629 230 HB2 LEU 11 1HB LEU 11 -2.365 -5.408 -9.190 231 HB3 LEU 11 2HB LEU 11 -1.060 -6.557 -9.053 232 HG LEU 11 HG LEU 11 -0.256 -3.852 -10.063 233 HD11 LEU 11 1HD1 LEU 11 -1.242 -4.420 -7.227 234 HD12 LEU 11 2HD1 LEU 11 -1.939 -3.249 -8.384 235 HD13 LEU 11 3HD1 LEU 11 -0.317 -2.986 -7.704 236 HD21 LEU 11 3HD2 LEU 11 1.272 -5.790 -9.599 237 HD22 LEU 11 1HD2 LEU 11 0.785 -5.720 -7.870 238 HD23 LEU 11 2HD2 LEU 11 1.625 -4.336 -8.607 239 H VAL 12 H VAL 12 -0.814 -8.447 -10.926 240 HA VAL 12 HA VAL 12 2.004 -8.065 -11.620 241 HB VAL 12 HB VAL 12 0.335 -10.651 -11.677 242 HG11 VAL 12 1HG1 VAL 12 3.326 -10.225 -11.583 243 HG12 VAL 12 2HG1 VAL 12 2.506 -11.788 -11.580 244 HG13 VAL 12 3HG1 VAL 12 2.406 -10.732 -13.051 245 HG21 VAL 12 3HG2 VAL 12 1.146 -11.002 -9.454 246 HG22 VAL 12 1HG2 VAL 12 2.280 -9.661 -9.545 247 HG23 VAL 12 2HG2 VAL 12 0.530 -9.335 -9.462 248 H GLU 13 H GLU 13 -0.862 -9.135 -13.479 249 HA GLU 13 HA GLU 13 0.380 -9.423 -15.979 250 HB2 GLU 13 1HB GLU 13 -2.175 -9.781 -15.186 251 HB3 GLU 13 2HB GLU 13 -2.353 -8.130 -15.809 252 HG2 GLU 13 1HG GLU 13 -2.850 -9.176 -17.702 253 HG3 GLU 13 2HG GLU 13 -1.102 -9.150 -17.916 254 HE2 GLU 13 HE2 GLU 13 -0.730 -10.833 -18.771 255 H ALA 14 H ALA 14 -0.984 -6.483 -14.390 256 HA ALA 14 HA ALA 14 -0.716 -4.726 -16.678 257 HB1 ALA 14 3HB ALA 14 -0.764 -4.104 -13.689 258 HB2 ALA 14 1HB ALA 14 -1.020 -2.924 -14.999 259 HB3 ALA 14 2HB ALA 14 -2.160 -4.253 -14.761 260 H LEU 15 H LEU 15 1.429 -5.385 -13.897 261 HA LEU 15 HA LEU 15 3.539 -3.602 -14.665 262 HB2 LEU 15 1HB LEU 15 3.363 -6.126 -13.022 263 HB3 LEU 15 2HB LEU 15 4.953 -5.479 -13.400 264 HG LEU 15 HG LEU 15 2.855 -3.850 -11.945 265 HD11 LEU 15 1HD1 LEU 15 3.530 -5.864 -10.673 266 HD12 LEU 15 2HD1 LEU 15 4.069 -4.350 -9.932 267 HD13 LEU 15 3HD1 LEU 15 5.204 -5.339 -10.812 268 HD21 LEU 15 3HD2 LEU 15 4.961 -2.553 -11.213 269 HD22 LEU 15 1HD2 LEU 15 4.573 -2.384 -12.958 270 HD23 LEU 15 2HD2 LEU 15 5.887 -3.496 -12.417 271 H TYR 16 H TYR 16 2.839 -7.022 -15.508 272 HA TYR 16 HA TYR 16 5.278 -7.383 -17.009 273 HB2 TYR 16 1HB TYR 16 3.697 -9.231 -16.313 274 HB3 TYR 16 2HB TYR 16 2.509 -8.672 -17.493 275 HD1 TYR 16 HD2 TYR 16 6.240 -9.514 -17.495 276 HD2 TYR 16 HD1 TYR 16 2.449 -9.795 -19.515 277 HE1 TYR 16 HE2 TYR 16 7.292 -10.942 -19.297 278 HE2 TYR 16 HE1 TYR 16 3.455 -11.228 -21.225 279 HH TYR 16 HH TYR 16 6.849 -12.137 -21.177 280 H LEU 17 H LEU 17 2.064 -6.180 -17.896 281 HA LEU 17 HA LEU 17 2.699 -6.045 -20.717 282 HB2 LEU 17 1HB LEU 17 0.664 -4.654 -19.004 283 HB3 LEU 17 2HB LEU 17 0.781 -4.388 -20.743 284 HG LEU 17 HG LEU 17 0.369 -7.107 -19.491 285 HD11 LEU 17 1HD1 LEU 17 -2.009 -6.813 -19.910 286 HD12 LEU 17 2HD1 LEU 17 -1.711 -5.200 -20.556 287 HD13 LEU 17 3HD1 LEU 17 -1.458 -5.518 -18.855 288 HD21 LEU 17 3HD2 LEU 17 -0.607 -7.460 -21.947 289 HD22 LEU 17 1HD2 LEU 17 1.149 -7.417 -21.738 290 HD23 LEU 17 2HD2 LEU 17 0.270 -5.980 -22.343 291 H VAL 18 H VAL 18 2.908 -3.631 -18.065 292 HA VAL 18 HA VAL 18 3.640 -1.573 -19.989 293 HB VAL 18 HB VAL 18 2.503 -1.235 -17.712 294 HG11 VAL 18 1HG1 VAL 18 5.412 -1.238 -16.682 295 HG12 VAL 18 2HG1 VAL 18 3.946 -0.820 -15.772 296 HG13 VAL 18 3HG1 VAL 18 4.168 -2.461 -16.315 297 HG21 VAL 18 3HG2 VAL 18 4.849 0.524 -18.488 298 HG22 VAL 18 1HG2 VAL 18 3.204 0.532 -19.199 299 HG23 VAL 18 2HG2 VAL 18 3.436 0.982 -17.511 300 H CYS 19 H CYS 19 5.587 -3.831 -18.038 301 HA CYS 19 HA CYS 19 8.096 -2.437 -18.681 302 HB2 CYS 19 1HB CYS 19 7.209 -4.810 -17.204 303 HB3 CYS 19 2HB CYS 19 8.704 -5.049 -18.079 304 H GLY 20 H GLY 20 5.964 -4.889 -19.992 305 HA2 GLY 20 1HA GLY 20 5.968 -5.910 -22.075 306 HA3 GLY 20 2HA GLY 20 7.535 -5.088 -22.426 307 H GLU 21 H GLU 21 7.847 -7.494 -23.239 308 HA GLU 21 HA GLU 21 8.073 -9.585 -21.408 309 HB2 GLU 21 1HB GLU 21 9.426 -9.242 -24.092 310 HB3 GLU 21 2HB GLU 21 9.368 -10.765 -23.198 311 HG2 GLU 21 1HG GLU 21 6.885 -10.710 -23.336 312 HG3 GLU 21 2HG GLU 21 6.969 -9.209 -24.251 313 HE2 GLU 21 HE2 GLU 21 7.773 -12.643 -25.947 314 H ARG 22 H ARG 22 9.951 -6.914 -21.629 315 HA ARG 22 HA ARG 22 12.579 -7.765 -20.967 316 HB2 ARG 22 1HB ARG 22 11.051 -5.302 -19.908 317 HB3 ARG 22 2HB ARG 22 12.813 -5.563 -20.033 318 HG2 ARG 22 1HG ARG 22 10.825 -5.182 -22.327 319 HG3 ARG 22 2HG ARG 22 12.033 -4.022 -21.753 320 HD2 ARG 22 1HD ARG 22 12.797 -6.728 -22.946 321 HD3 ARG 22 2HD ARG 22 12.672 -5.206 -23.894 322 HE ARG 22 HE ARG 22 14.389 -4.770 -21.656 323 HH11 ARG 22 1HH1 ARG 22 14.460 -6.477 -24.769 324 HH12 ARG 22 2HH1 ARG 22 16.174 -6.343 -24.900 325 HH21 ARG 22 1HH2 ARG 22 16.531 -4.719 -21.885 326 HH22 ARG 22 2HH2 ARG 22 17.320 -5.379 -23.259 327 H GLY 23 H GLY 23 9.557 -7.405 -19.143 328 HA2 GLY 23 1HA GLY 23 8.903 -8.438 -17.213 329 HA3 GLY 23 2HA GLY 23 10.531 -9.151 -17.079 330 H PHE 24 H PHE 24 9.284 -8.284 -14.812 331 HA PHE 24 HA PHE 24 10.875 -5.843 -14.040 332 HB2 PHE 24 1HB PHE 24 9.006 -5.223 -12.588 333 HB3 PHE 24 2HB PHE 24 8.504 -5.301 -14.291 334 HD1 PHE 24 HD1 PHE 24 6.958 -7.138 -15.028 335 HD2 PHE 24 HD2 PHE 24 8.155 -6.656 -10.905 336 HE1 PHE 24 HE1 PHE 24 5.133 -8.707 -14.321 337 HE2 PHE 24 HE2 PHE 24 6.313 -8.155 -10.239 338 HZ PHE 24 HZ PHE 24 4.792 -9.167 -11.882 339 H PHE 25 H PHE 25 10.705 -9.041 -13.946 340 HA PHE 25 HA PHE 25 10.065 -9.565 -11.237 341 HB2 PHE 25 1HB PHE 25 11.309 -11.455 -13.234 342 HB3 PHE 25 2HB PHE 25 10.460 -11.893 -11.778 343 HD1 PHE 25 HD1 PHE 25 8.008 -11.499 -11.489 344 HD2 PHE 25 HD2 PHE 25 10.074 -10.983 -15.211 345 HE1 PHE 25 HE1 PHE 25 5.816 -11.614 -12.719 346 HE2 PHE 25 HE2 PHE 25 7.923 -11.146 -16.482 347 HZ PHE 25 HZ PHE 25 5.790 -11.527 -15.256 348 H TYR 26 H TYR 26 11.255 -10.142 -9.517 349 HA TYR 26 HA TYR 26 14.047 -9.341 -9.471 350 HB2 TYR 26 1HB TYR 26 12.498 -9.177 -7.561 351 HB3 TYR 26 2HB TYR 26 12.422 -10.941 -7.463 352 HD1 TYR 26 HD1 TYR 26 14.619 -7.956 -6.999 353 HD2 TYR 26 HD2 TYR 26 14.223 -12.229 -6.395 354 HE1 TYR 26 HE1 TYR 26 16.684 -7.984 -5.545 355 HE2 TYR 26 HE2 TYR 26 16.223 -12.211 -4.861 356 HH TYR 26 HH TYR 26 17.927 -10.930 -4.004 357 H THR 27 H THR 27 12.215 -12.315 -9.922 358 HA THR 27 HA THR 27 14.502 -14.045 -9.785 359 HB THR 27 HB THR 27 12.696 -15.406 -11.251 360 HG1 THR 27 HG1 THR 27 10.748 -14.433 -11.082 361 HG21 THR 27 1HG2 THR 27 11.765 -16.157 -9.022 362 HG22 THR 27 2HG2 THR 27 12.780 -14.910 -8.259 363 HG23 THR 27 3HG2 THR 27 13.521 -16.255 -9.129 364 H LYS 28 H LYS 28 16.099 -13.921 -11.206 365 HA LYS 28 HA LYS 28 15.626 -12.624 -13.767 366 HB2 LYS 28 1HB LYS 28 18.100 -13.937 -12.549 367 HB3 LYS 28 2HB LYS 28 18.122 -13.023 -14.061 368 HG2 LYS 28 1HG LYS 28 17.270 -10.996 -12.765 369 HG3 LYS 28 2HG LYS 28 17.485 -11.928 -11.266 370 HD2 LYS 28 1HD LYS 28 20.015 -12.226 -11.922 371 HD3 LYS 28 2HD LYS 28 19.645 -11.139 -13.318 372 HE2 LYS 28 1HE LYS 28 18.784 -9.456 -11.610 373 HE3 LYS 28 2HE LYS 28 19.537 -10.487 -10.361 374 HZ1 LYS 28 3HZ LYS 28 21.019 -8.676 -11.010 375 HZ2 LYS 28 1HZ LYS 28 20.922 -9.009 -12.635 376 HZ3 LYS 28 2HZ LYS 28 21.702 -10.050 -11.622 377 HA PRO 29 HA PRO 29 14.784 -16.330 -15.944 378 HB2 PRO 29 1HB PRO 29 14.927 -15.505 -18.571 379 HB3 PRO 29 2HB PRO 29 13.696 -14.863 -17.415 380 HG2 PRO 29 1HG PRO 29 16.325 -13.709 -18.242 381 HG3 PRO 29 2HG PRO 29 14.723 -12.946 -18.203 382 HD2 PRO 29 1HD PRO 29 16.603 -12.657 -16.167 383 HD3 PRO 29 2HD PRO 29 14.800 -12.629 -15.897 384 H THR 30 H THR 30 16.749 -17.224 -14.977 385 HA THR 30 HA THR 30 18.960 -17.649 -16.799 386 HB THR 30 HB THR 30 19.295 -17.483 -14.341 387 HG1 THR 30 HG1 THR 30 20.867 -18.803 -15.255 388 HG21 THR 30 1HG2 THR 30 18.538 -19.346 -12.824 389 HG22 THR 30 2HG2 THR 30 17.660 -20.125 -14.194 390 HG23 THR 30 3HG2 THR 30 17.126 -18.579 -13.550 391 HXT THR 30 H02 THR 30 19.447 -19.308 -17.507 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 1.566 1.451 -0.251 2 H2 GLY 1 2H GLY 1 2.431 0.449 0.661 3 HA2 GLY 1 1HA GLY 1 3.792 1.455 -1.268 4 HA3 GLY 1 2HA GLY 1 3.733 -0.342 -1.254 5 H ILE 2 H ILE 2 4.066 -0.585 -3.272 6 HA ILE 2 HA ILE 2 2.972 0.594 -5.515 7 HB ILE 2 HB ILE 2 3.680 -2.390 -5.262 8 HG12 ILE 2 1HG1 ILE 2 5.404 0.045 -5.854 9 HG13 ILE 2 2HG1 ILE 2 5.521 -1.101 -4.511 10 HG21 ILE 2 1HG2 ILE 2 3.302 -0.563 -7.665 11 HG22 ILE 2 2HG2 ILE 2 4.107 -2.121 -7.775 12 HG23 ILE 2 3HG2 ILE 2 2.424 -2.028 -7.278 13 HD11 ILE 2 3HD1 ILE 2 6.167 -2.934 -6.157 14 HD12 ILE 2 1HD1 ILE 2 6.236 -1.672 -7.428 15 HD13 ILE 2 2HD1 ILE 2 7.320 -1.590 -6.008 16 H VAL 3 H VAL 3 1.809 -2.564 -4.162 17 HA VAL 3 HA VAL 3 -0.400 -2.717 -5.954 18 HB VAL 3 HB VAL 3 -0.087 -4.093 -3.204 19 HG11 VAL 3 1HG1 VAL 3 -2.409 -4.241 -4.404 20 HG12 VAL 3 2HG1 VAL 3 -1.589 -5.196 -5.658 21 HG13 VAL 3 3HG1 VAL 3 -1.664 -5.809 -3.972 22 HG21 VAL 3 3HG2 VAL 3 0.873 -6.023 -4.573 23 HG22 VAL 3 1HG2 VAL 3 0.969 -4.890 -5.957 24 HG23 VAL 3 2HG2 VAL 3 1.897 -4.556 -4.466 25 H GLU 4 H GLU 4 -0.055 -1.496 -2.596 26 HA GLU 4 HA GLU 4 -2.785 -1.244 -2.109 27 HB2 GLU 4 1HB GLU 4 -0.995 -1.197 -0.400 28 HB3 GLU 4 2HB GLU 4 -0.519 0.391 -0.959 29 HG2 GLU 4 1HG GLU 4 -2.727 1.319 -0.286 30 HG3 GLU 4 2HG GLU 4 -3.243 -0.323 0.171 31 HE2 GLU 4 HE2 GLU 4 -2.466 2.278 1.422 32 H GLN 5 H GLN 5 -0.485 1.266 -3.352 33 HA GLN 5 HA GLN 5 -2.571 3.211 -3.410 34 HB2 GLN 5 1HB GLN 5 0.215 3.166 -4.674 35 HB3 GLN 5 2HB GLN 5 -0.903 4.554 -4.846 36 HG2 GLN 5 1HG GLN 5 -1.042 4.791 -2.408 37 HG3 GLN 5 2HG GLN 5 0.052 3.430 -2.172 38 HE21 GLN 5 2HE2 GLN 5 -0.153 6.712 -2.252 39 HE22 GLN 5 1HE2 GLN 5 1.501 7.093 -2.645 40 H CYS 6 H CYS 6 -1.072 0.997 -5.843 41 HA CYS 6 HA CYS 6 -2.439 2.112 -8.103 42 HB2 CYS 6 1HB CYS 6 -0.499 0.417 -7.983 43 HB3 CYS 6 2HB CYS 6 -1.754 -0.792 -7.861 44 H CYS 7 H CYS 7 -3.559 0.026 -5.512 45 HA CYS 7 HA CYS 7 -5.935 -0.804 -7.086 46 HB2 CYS 7 1HB CYS 7 -4.758 -2.449 -5.574 47 HB3 CYS 7 2HB CYS 7 -5.081 -1.405 -4.204 48 H THR 8 H THR 8 -5.090 1.125 -4.150 49 HA THR 8 HA THR 8 -7.833 1.647 -3.550 50 HB THR 8 HB THR 8 -5.788 1.813 -1.948 51 HG1 THR 8 HG1 THR 8 -6.945 3.787 -0.972 52 HG21 THR 8 1HG2 THR 8 -4.712 3.639 -3.511 53 HG22 THR 8 2HG2 THR 8 -4.608 3.789 -1.730 54 HG23 THR 8 3HG2 THR 8 -5.800 4.742 -2.644 55 H SER 9 H SER 9 -5.638 3.049 -5.880 56 HA SER 9 HA SER 9 -7.618 5.325 -6.286 57 HB2 SER 9 1HB SER 9 -4.591 5.392 -6.449 58 HB3 SER 9 2HB SER 9 -5.662 6.696 -6.991 59 HG SER 9 HG SER 9 -5.105 7.238 -4.990 60 H ILE 10 H ILE 10 -7.280 6.229 -8.511 61 HA ILE 10 HA ILE 10 -7.390 4.169 -10.564 62 HB ILE 10 HB ILE 10 -6.927 7.228 -10.852 63 HG12 ILE 10 1HG1 ILE 10 -9.080 6.770 -9.709 64 HG13 ILE 10 2HG1 ILE 10 -9.313 7.378 -11.359 65 HG21 ILE 10 1HG2 ILE 10 -7.794 5.109 -12.906 66 HG22 ILE 10 2HG2 ILE 10 -7.860 6.864 -13.180 67 HG23 ILE 10 3HG2 ILE 10 -6.305 6.086 -12.926 68 HD11 ILE 10 3HD1 ILE 10 -10.911 5.603 -10.702 69 HD12 ILE 10 1HD1 ILE 10 -9.968 5.265 -12.180 70 HD13 ILE 10 2HD1 ILE 10 -9.559 4.463 -10.641 71 H CYS 11 H CYS 11 -5.732 3.318 -11.748 72 HA CYS 11 HA CYS 11 -2.998 4.345 -11.150 73 HB2 CYS 11 1HB CYS 11 -3.928 2.069 -10.267 74 HB3 CYS 11 2HB CYS 11 -3.557 1.502 -11.885 75 H SER 12 H SER 12 -3.162 5.713 -13.003 76 HA SER 12 HA SER 12 -3.632 4.745 -15.593 77 HB2 SER 12 1HB SER 12 -1.905 7.067 -14.678 78 HB3 SER 12 2HB SER 12 -2.646 6.909 -16.270 79 HG SER 12 HG SER 12 -4.710 6.700 -15.061 80 H LEU 13 H LEU 13 -1.988 4.761 -17.465 81 HA LEU 13 HA LEU 13 0.120 2.981 -17.025 82 HB2 LEU 13 1HB LEU 13 -0.398 4.986 -19.277 83 HB3 LEU 13 2HB LEU 13 1.020 3.882 -19.347 84 HG LEU 13 HG LEU 13 -1.892 2.870 -18.944 85 HD11 LEU 13 1HD1 LEU 13 -0.363 3.072 -21.583 86 HD12 LEU 13 2HD1 LEU 13 -1.822 4.009 -21.072 87 HD13 LEU 13 3HD1 LEU 13 -1.913 2.282 -21.299 88 HD21 LEU 13 3HD2 LEU 13 0.730 1.430 -19.825 89 HD22 LEU 13 1HD2 LEU 13 -0.904 0.725 -19.667 90 HD23 LEU 13 2HD2 LEU 13 -0.108 1.286 -18.255 91 H TYR 14 H TYR 14 0.339 6.476 -17.081 92 HA TYR 14 HA TYR 14 3.114 6.851 -16.802 93 HB2 TYR 14 1HB TYR 14 1.436 8.670 -17.204 94 HB3 TYR 14 2HB TYR 14 0.682 8.368 -15.632 95 HD1 TYR 14 HD2 TYR 14 3.828 9.508 -17.202 96 HD2 TYR 14 HD1 TYR 14 1.382 9.470 -13.730 97 HE1 TYR 14 HE2 TYR 14 5.570 10.520 -15.613 98 HE2 TYR 14 HE1 TYR 14 2.634 11.102 -12.623 99 HH TYR 14 HH TYR 14 4.433 12.577 -12.725 100 H GLN 15 H GLN 15 0.688 6.003 -14.310 101 HA GLN 15 HA GLN 15 2.595 6.404 -12.131 102 HB2 GLN 15 1HB GLN 15 -0.082 4.922 -12.240 103 HB3 GLN 15 2HB GLN 15 0.846 5.178 -10.788 104 HG2 GLN 15 1HG GLN 15 0.572 7.513 -10.924 105 HG3 GLN 15 2HG GLN 15 -0.167 7.399 -12.546 106 HE21 GLN 15 2HE2 GLN 15 -0.649 6.124 -9.211 107 HE22 GLN 15 1HE2 GLN 15 -2.410 6.227 -9.298 108 H LEU 16 H LEU 16 1.145 3.626 -13.909 109 HA LEU 16 HA LEU 16 2.457 1.524 -12.669 110 HB2 LEU 16 1HB LEU 16 1.383 2.076 -15.383 111 HB3 LEU 16 2HB LEU 16 2.555 0.733 -15.274 112 HG LEU 16 HG LEU 16 0.046 0.957 -13.567 113 HD11 LEU 16 1HD1 LEU 16 -0.964 -0.727 -15.004 114 HD12 LEU 16 2HD1 LEU 16 0.519 -0.944 -15.909 115 HD13 LEU 16 3HD1 LEU 16 -0.391 0.537 -16.089 116 HD21 LEU 16 3HD2 LEU 16 0.448 -1.392 -13.077 117 HD22 LEU 16 1HD2 LEU 16 1.820 -0.421 -12.502 118 HD23 LEU 16 2HD2 LEU 16 1.951 -1.360 -13.992 119 H GLU 17 H GLU 17 3.868 3.752 -15.082 120 HA GLU 17 HA GLU 17 6.231 2.214 -15.577 121 HB2 GLU 17 1HB GLU 17 5.683 5.211 -15.719 122 HB3 GLU 17 2HB GLU 17 7.251 4.447 -16.157 123 HG2 GLU 17 1HG GLU 17 6.023 3.008 -17.806 124 HG3 GLU 17 2HG GLU 17 4.556 3.849 -17.423 125 HE2 GLU 17 HE2 GLU 17 5.441 3.776 -19.773 126 H ASN 18 H ASN 18 5.398 4.304 -12.840 127 HA ASN 18 HA ASN 18 8.132 4.634 -11.964 128 HB2 ASN 18 1HB ASN 18 5.487 4.641 -10.339 129 HB3 ASN 18 2HB ASN 18 7.125 5.197 -9.808 130 HD21 ASN 18 2HD2 ASN 18 4.353 6.422 -10.350 131 HD22 ASN 18 1HD2 ASN 18 4.790 7.855 -11.289 132 H TYR 19 H TYR 19 5.930 1.935 -11.905 133 HA TYR 19 HA TYR 19 7.456 0.661 -9.622 134 HB2 TYR 19 1HB TYR 19 4.985 -0.369 -11.136 135 HB3 TYR 19 2HB TYR 19 5.692 -1.004 -9.627 136 HD1 TYR 19 HD2 TYR 19 6.030 1.208 -7.863 137 HD2 TYR 19 HD1 TYR 19 2.948 0.709 -10.822 138 HE1 TYR 19 HE2 TYR 19 4.565 2.795 -6.625 139 HE2 TYR 19 HE1 TYR 19 1.490 2.301 -9.564 140 HH TYR 19 HH TYR 19 1.207 3.460 -7.504 141 H CYS 20 H CYS 20 7.946 1.104 -12.807 142 HA CYS 20 HA CYS 20 8.869 -1.702 -13.351 143 HB2 CYS 20 1HB CYS 20 7.622 -0.332 -15.066 144 HB3 CYS 20 2HB CYS 20 8.934 0.799 -15.111 145 H ASN 21 H ASN 21 11.086 -0.669 -15.005 146 HA ASN 21 HA ASN 21 13.388 -0.904 -13.445 147 HB2 ASN 21 1HB ASN 21 13.038 0.894 -15.951 148 HB3 ASN 21 2HB ASN 21 14.613 0.378 -15.313 149 HD21 ASN 21 2HD2 ASN 21 13.841 -0.225 -17.947 150 HD22 ASN 21 1HD2 ASN 21 13.624 -1.927 -18.043 151 HXT ASN 21 H02 ASN 21 13.181 0.249 -11.580 152 H1 PHE 1 1H PHE 1 -6.041 -2.617 -21.341 153 H2 PHE 1 2H PHE 1 -4.453 -2.927 -21.136 154 HA PHE 1 HA PHE 1 -5.136 -1.781 -19.231 155 HB2 PHE 1 1HB PHE 1 -3.519 -0.080 -21.149 156 HB3 PHE 1 2HB PHE 1 -3.622 0.256 -19.461 157 HD1 PHE 1 HD2 PHE 1 -2.220 -1.968 -21.986 158 HD2 PHE 1 HD1 PHE 1 -2.420 -1.112 -17.881 159 HE1 PHE 1 HE2 PHE 1 -0.227 -3.411 -21.664 160 HE2 PHE 1 HE1 PHE 1 -0.430 -2.481 -17.421 161 HZ PHE 1 HZ PHE 1 0.716 -3.689 -19.304 162 H VAL 2 H VAL 2 -6.705 -0.887 -18.377 163 HA VAL 2 HA VAL 2 -8.194 1.368 -19.749 164 HB VAL 2 HB VAL 2 -9.207 -0.606 -17.658 165 HG11 VAL 2 1HG1 VAL 2 -10.425 1.505 -17.340 166 HG12 VAL 2 2HG1 VAL 2 -10.573 1.723 -19.125 167 HG13 VAL 2 3HG1 VAL 2 -11.467 0.420 -18.278 168 HG21 VAL 2 3HG2 VAL 2 -9.063 -1.656 -19.936 169 HG22 VAL 2 1HG2 VAL 2 -10.743 -1.378 -19.533 170 HG23 VAL 2 2HG2 VAL 2 -9.906 -0.254 -20.644 171 H ASN 3 H ASN 3 -8.531 3.244 -18.531 172 HA ASN 3 HA ASN 3 -6.643 3.656 -16.359 173 HB2 ASN 3 1HB ASN 3 -7.193 5.246 -18.227 174 HB3 ASN 3 2HB ASN 3 -8.698 5.544 -17.379 175 HD21 ASN 3 2HD2 ASN 3 -8.257 7.700 -16.843 176 HD22 ASN 3 1HD2 ASN 3 -6.986 8.199 -15.762 177 H GLN 4 H GLN 4 -7.368 2.300 -14.757 178 HA GLN 4 HA GLN 4 -9.685 3.244 -13.218 179 HB2 GLN 4 1HB GLN 4 -10.400 1.569 -15.047 180 HB3 GLN 4 2HB GLN 4 -9.443 0.358 -14.220 181 HG2 GLN 4 1HG GLN 4 -11.942 0.250 -13.833 182 HG3 GLN 4 2HG GLN 4 -11.029 0.431 -12.355 183 HE21 GLN 4 2HE2 GLN 4 -13.037 2.119 -14.725 184 HE22 GLN 4 1HE2 GLN 4 -13.496 3.399 -13.686 185 H HIS 5 H HIS 5 -9.743 1.259 -11.352 186 HA HIS 5 HA HIS 5 -7.179 1.395 -9.976 187 HB2 HIS 5 1HB HIS 5 -9.649 -0.283 -9.400 188 HB3 HIS 5 2HB HIS 5 -8.349 0.020 -8.261 189 HD1 HIS 5 HD1 HIS 5 -8.575 2.003 -6.683 190 HD2 HIS 5 HD2 HIS 5 -11.163 2.271 -9.982 191 HE1 HIS 5 HE1 HIS 5 -10.105 4.041 -6.342 192 HE2 HIS 5 H01 HIS 5 -11.588 4.212 -8.309 193 H LEU 6 H LEU 6 -5.781 -0.237 -9.620 194 HA LEU 6 HA LEU 6 -6.227 -2.743 -11.202 195 HB2 LEU 6 1HB LEU 6 -3.701 -1.174 -10.956 196 HB3 LEU 6 2HB LEU 6 -3.762 -2.819 -11.558 197 HG LEU 6 HG LEU 6 -5.102 -0.419 -12.859 198 HD11 LEU 6 1HD1 LEU 6 -2.545 -1.947 -13.454 199 HD12 LEU 6 2HD1 LEU 6 -2.708 -0.225 -12.978 200 HD13 LEU 6 3HD1 LEU 6 -3.313 -0.800 -14.560 201 HD21 LEU 6 3HD2 LEU 6 -6.196 -2.685 -13.299 202 HD22 LEU 6 1HD2 LEU 6 -4.660 -3.189 -14.044 203 HD23 LEU 6 2HD2 LEU 6 -5.554 -1.821 -14.727 204 H CYS 7 H CYS 7 -6.560 -4.323 -9.849 205 HA CYS 7 HA CYS 7 -5.048 -4.361 -7.266 206 HB2 CYS 7 1HB CYS 7 -7.893 -5.185 -7.803 207 HB3 CYS 7 2HB CYS 7 -7.097 -5.202 -6.247 208 H AIB 8 H AIB 8 -4.809 -6.547 -6.318 209 HB11 AIB 8 1HB1 AIB 8 -6.654 -8.782 -6.283 210 HB12 AIB 8 3HB1 AIB 8 -5.819 -10.287 -6.557 211 HB13 AIB 8 1HB2 AIB 8 -6.632 -9.505 -7.904 212 HB21 AIB 8 3HB2 AIB 8 -2.763 -8.244 -6.315 213 HB22 AIB 8 2HB1 AIB 8 -3.484 -9.918 -6.063 214 HB23 AIB 8 2HB2 AIB 8 -4.103 -8.506 -5.153 215 H SER 9 H SER 9 -4.878 -10.648 -8.600 216 HA SER 9 HA SER 9 -2.539 -10.866 -9.978 217 HB2 SER 9 1HB SER 9 -4.385 -12.588 -9.775 218 HB3 SER 9 2HB SER 9 -5.260 -11.629 -11.020 219 HG SER 9 HG SER 9 -3.162 -13.347 -11.323 220 H HIS 10 H HIS 10 -5.334 -8.918 -10.854 221 HA HIS 10 HA HIS 10 -4.565 -8.504 -13.569 222 HB2 HIS 10 1HB HIS 10 -6.154 -6.674 -11.787 223 HB3 HIS 10 2HB HIS 10 -6.138 -6.656 -13.550 224 HD1 HIS 10 HD1 HIS 10 -6.999 -9.233 -14.550 225 HD2 HIS 10 HD2 HIS 10 -8.191 -8.018 -10.729 226 HE1 HIS 10 HE1 HIS 10 -8.963 -10.703 -13.894 227 HE2 HIS 10 H01 HIS 10 -9.702 -9.942 -11.644 228 H LEU 11 H LEU 11 -3.584 -6.872 -10.606 229 HA LEU 11 HA LEU 11 -2.214 -4.623 -11.840 230 HB2 LEU 11 1HB LEU 11 -2.991 -4.645 -9.509 231 HB3 LEU 11 2HB LEU 11 -1.920 -5.964 -9.104 232 HG LEU 11 HG LEU 11 -1.307 -3.585 -8.349 233 HD11 LEU 11 1HD1 LEU 11 0.872 -5.158 -9.740 234 HD12 LEU 11 2HD1 LEU 11 0.205 -5.547 -8.125 235 HD13 LEU 11 3HD1 LEU 11 1.099 -3.998 -8.381 236 HD21 LEU 11 3HD2 LEU 11 -0.047 -2.171 -9.862 237 HD22 LEU 11 1HD2 LEU 11 -1.571 -2.571 -10.669 238 HD23 LEU 11 2HD2 LEU 11 -0.062 -3.420 -11.121 239 H VAL 12 H VAL 12 -1.280 -7.894 -10.595 240 HA VAL 12 HA VAL 12 1.501 -7.624 -11.122 241 HB VAL 12 HB VAL 12 -0.207 -10.139 -11.177 242 HG11 VAL 12 1HG1 VAL 12 1.909 -10.729 -12.186 243 HG12 VAL 12 2HG1 VAL 12 2.796 -9.803 -10.946 244 HG13 VAL 12 3HG1 VAL 12 1.968 -11.319 -10.478 245 HG21 VAL 12 3HG2 VAL 12 0.364 -10.382 -8.823 246 HG22 VAL 12 1HG2 VAL 12 1.435 -8.976 -8.916 247 HG23 VAL 12 2HG2 VAL 12 -0.291 -8.797 -9.068 248 H GLU 13 H GLU 13 -1.073 -8.952 -13.156 249 HA GLU 13 HA GLU 13 0.636 -9.670 -15.358 250 HB2 GLU 13 1HB GLU 13 -1.642 -10.519 -14.870 251 HB3 GLU 13 2HB GLU 13 -2.334 -8.989 -15.315 252 HG2 GLU 13 1HG GLU 13 -1.314 -9.272 -17.642 253 HG3 GLU 13 2HG GLU 13 -0.876 -10.931 -17.145 254 HE2 GLU 13 HE2 GLU 13 -3.914 -11.194 -18.830 255 H ALA 14 H ALA 14 -1.214 -6.658 -14.560 256 HA ALA 14 HA ALA 14 -0.769 -5.409 -17.083 257 HB1 ALA 14 3HB ALA 14 -1.160 -4.119 -14.294 258 HB2 ALA 14 1HB ALA 14 -1.423 -3.293 -15.831 259 HB3 ALA 14 2HB ALA 14 -2.492 -4.632 -15.359 260 H LEU 15 H LEU 15 0.959 -5.365 -13.948 261 HA LEU 15 HA LEU 15 2.930 -3.482 -14.813 262 HB2 LEU 15 1HB LEU 15 2.389 -4.048 -12.571 263 HB3 LEU 15 2HB LEU 15 3.038 -5.679 -12.761 264 HG LEU 15 HG LEU 15 5.307 -4.727 -13.023 265 HD11 LEU 15 1HD1 LEU 15 5.733 -2.323 -12.597 266 HD12 LEU 15 2HD1 LEU 15 3.971 -2.029 -12.685 267 HD13 LEU 15 3HD1 LEU 15 4.876 -2.609 -14.120 268 HD21 LEU 15 3HD2 LEU 15 3.979 -3.434 -10.639 269 HD22 LEU 15 1HD2 LEU 15 5.654 -4.055 -10.799 270 HD23 LEU 15 2HD2 LEU 15 4.292 -5.212 -10.792 271 H TYR 16 H TYR 16 2.914 -7.086 -14.929 272 HA TYR 16 HA TYR 16 5.579 -7.331 -15.875 273 HB2 TYR 16 1HB TYR 16 4.083 -9.105 -14.901 274 HB3 TYR 16 2HB TYR 16 3.157 -9.170 -16.384 275 HD1 TYR 16 HD2 TYR 16 6.784 -9.438 -15.302 276 HD2 TYR 16 HD1 TYR 16 3.638 -10.856 -17.923 277 HE1 TYR 16 HE2 TYR 16 8.366 -10.999 -16.291 278 HE2 TYR 16 HE1 TYR 16 5.275 -12.439 -18.972 279 HH TYR 16 HH TYR 16 8.715 -12.627 -17.828 280 H LEU 17 H LEU 17 2.468 -6.827 -17.513 281 HA LEU 17 HA LEU 17 3.496 -7.205 -20.195 282 HB2 LEU 17 1HB LEU 17 1.034 -5.915 -19.014 283 HB3 LEU 17 2HB LEU 17 1.365 -5.757 -20.714 284 HG LEU 17 HG LEU 17 1.075 -8.379 -19.222 285 HD11 LEU 17 1HD1 LEU 17 -1.056 -7.199 -19.209 286 HD12 LEU 17 2HD1 LEU 17 -1.133 -8.593 -20.315 287 HD13 LEU 17 3HD1 LEU 17 -0.968 -6.935 -20.941 288 HD21 LEU 17 3HD2 LEU 17 0.957 -9.439 -21.315 289 HD22 LEU 17 1HD2 LEU 17 2.414 -8.402 -21.310 290 HD23 LEU 17 2HD2 LEU 17 0.973 -7.882 -22.193 291 H VAL 18 H VAL 18 2.972 -4.184 -18.224 292 HA VAL 18 HA VAL 18 3.914 -2.616 -20.474 293 HB VAL 18 HB VAL 18 2.282 -1.789 -18.816 294 HG11 VAL 18 1HG1 VAL 18 3.364 -2.720 -16.740 295 HG12 VAL 18 2HG1 VAL 18 4.615 -1.482 -16.872 296 HG13 VAL 18 3HG1 VAL 18 2.925 -1.002 -16.658 297 HG21 VAL 18 3HG2 VAL 18 4.799 -0.093 -19.075 298 HG22 VAL 18 1HG2 VAL 18 3.487 -0.249 -20.270 299 HG23 VAL 18 2HG2 VAL 18 3.187 0.459 -18.708 300 H CYS 19 H CYS 19 5.491 -4.004 -17.597 301 HA CYS 19 HA CYS 19 7.921 -2.491 -18.094 302 HB2 CYS 19 1HB CYS 19 6.877 -3.413 -15.842 303 HB3 CYS 19 2HB CYS 19 7.712 -4.909 -16.312 304 H GLY 20 H GLY 20 6.441 -5.514 -19.086 305 HA2 GLY 20 1HA GLY 20 7.195 -6.779 -20.901 306 HA3 GLY 20 2HA GLY 20 8.802 -6.011 -20.857 307 H GLU 21 H GLU 21 9.058 -8.499 -21.312 308 HA GLU 21 HA GLU 21 8.849 -10.255 -19.035 309 HB2 GLU 21 1HB GLU 21 10.388 -10.480 -21.642 310 HB3 GLU 21 2HB GLU 21 10.162 -11.797 -20.469 311 HG2 GLU 21 1HG GLU 21 7.743 -11.711 -20.841 312 HG3 GLU 21 2HG GLU 21 7.932 -10.277 -21.835 313 HE2 GLU 21 HE2 GLU 21 7.531 -13.316 -21.824 314 H ARG 22 H ARG 22 10.821 -7.723 -19.424 315 HA ARG 22 HA ARG 22 13.408 -8.683 -18.686 316 HB2 ARG 22 1HB ARG 22 12.095 -5.913 -18.615 317 HB3 ARG 22 2HB ARG 22 13.775 -6.198 -18.210 318 HG2 ARG 22 1HG ARG 22 14.041 -5.582 -20.443 319 HG3 ARG 22 2HG ARG 22 13.798 -7.304 -20.699 320 HD2 ARG 22 1HD ARG 22 12.414 -5.943 -22.214 321 HD3 ARG 22 2HD ARG 22 11.332 -6.765 -21.092 322 HE ARG 22 HE ARG 22 10.849 -4.732 -20.028 323 HH11 ARG 22 1HH1 ARG 22 13.094 -4.254 -22.694 324 HH12 ARG 22 2HH1 ARG 22 12.763 -2.530 -22.797 325 HH21 ARG 22 1HH2 ARG 22 10.424 -2.619 -20.200 326 HH22 ARG 22 2HH2 ARG 22 11.229 -1.593 -21.365 327 H GLY 23 H GLY 23 10.449 -7.740 -17.115 328 HA2 GLY 23 1HA GLY 23 9.763 -8.539 -15.021 329 HA3 GLY 23 2HA GLY 23 11.435 -8.809 -14.566 330 H PHE 24 H PHE 24 9.654 -7.732 -12.753 331 HA PHE 24 HA PHE 24 10.698 -4.922 -12.556 332 HB2 PHE 24 1HB PHE 24 8.563 -4.402 -11.316 333 HB3 PHE 24 2HB PHE 24 8.374 -4.750 -13.037 334 HD1 PHE 24 HD2 PHE 24 8.064 -6.276 -9.673 335 HD2 PHE 24 HD1 PHE 24 6.947 -6.558 -13.860 336 HE1 PHE 24 HE2 PHE 24 6.438 -8.111 -9.143 337 HE2 PHE 24 HE1 PHE 24 5.401 -8.376 -13.304 338 HZ PHE 24 HZ PHE 24 5.081 -9.136 -10.974 339 H PHE 25 H PHE 25 10.680 -4.221 -10.207 340 HA PHE 25 HA PHE 25 11.845 -6.526 -8.621 341 HB2 PHE 25 1HB PHE 25 13.045 -4.195 -9.573 342 HB3 PHE 25 2HB PHE 25 12.768 -3.880 -7.875 343 HD1 PHE 25 HD1 PHE 25 14.141 -6.331 -10.259 344 HD2 PHE 25 HD2 PHE 25 14.285 -4.800 -6.288 345 HE1 PHE 25 HE1 PHE 25 16.093 -7.861 -9.836 346 HE2 PHE 25 HE2 PHE 25 16.273 -6.321 -5.762 347 HZ PHE 25 HZ PHE 25 17.168 -7.854 -7.568 348 H TYR 26 H TYR 26 12.302 -5.174 -6.236 349 HA TYR 26 HA TYR 26 11.254 -4.885 -4.199 350 HB2 TYR 26 1HB TYR 26 10.932 -2.667 -5.470 351 HB3 TYR 26 2HB TYR 26 9.236 -3.177 -5.637 352 HD1 TYR 26 HD2 TYR 26 11.896 -2.816 -2.992 353 HD2 TYR 26 HD1 TYR 26 7.684 -2.539 -3.979 354 HE1 TYR 26 HE2 TYR 26 11.435 -1.938 -0.738 355 HE2 TYR 26 HE1 TYR 26 7.224 -1.575 -1.700 356 HH TYR 26 HH TYR 26 8.150 -0.809 0.246 357 H THR 27 H THR 27 10.643 -7.258 -4.648 358 HA THR 27 HA THR 27 7.760 -7.582 -3.827 359 HB THR 27 HB THR 27 7.823 -9.839 -4.938 360 HG1 THR 27 HG1 THR 27 9.811 -9.271 -6.684 361 HG21 THR 27 1HG2 THR 27 7.423 -9.131 -7.199 362 HG22 THR 27 2HG2 THR 27 8.431 -7.669 -7.006 363 HG23 THR 27 3HG2 THR 27 6.857 -7.810 -6.176 364 H LYS 28 H LYS 28 7.548 -9.569 -2.399 365 HA LYS 28 HA LYS 28 10.021 -9.937 -0.782 366 HB2 LYS 28 1HB LYS 28 7.008 -10.426 -0.249 367 HB3 LYS 28 2HB LYS 28 8.285 -10.955 0.870 368 HG2 LYS 28 1HG LYS 28 8.994 -8.726 1.289 369 HG3 LYS 28 2HG LYS 28 7.811 -8.022 0.147 370 HD2 LYS 28 1HD LYS 28 5.992 -9.043 1.422 371 HD3 LYS 28 2HD LYS 28 7.125 -9.616 2.661 372 HE2 LYS 28 1HE LYS 28 6.790 -6.731 1.909 373 HE3 LYS 28 2HE LYS 28 5.925 -7.497 3.257 374 HZ1 LYS 28 3HZ LYS 28 8.100 -8.018 4.226 375 HZ2 LYS 28 1HZ LYS 28 7.987 -6.366 3.945 376 HZ3 LYS 28 2HZ LYS 28 8.871 -7.351 2.924 377 HA PRO 29 HA PRO 29 9.678 -13.987 -2.757 378 HB2 PRO 29 1HB PRO 29 11.984 -15.101 -1.782 379 HB3 PRO 29 2HB PRO 29 11.981 -13.937 -3.153 380 HG2 PRO 29 1HG PRO 29 12.609 -13.432 -0.266 381 HG3 PRO 29 2HG PRO 29 13.476 -12.868 -1.760 382 HD2 PRO 29 1HD PRO 29 11.618 -11.311 -0.372 383 HD3 PRO 29 2HD PRO 29 11.837 -11.165 -2.193 384 H THR 30 H THR 30 8.192 -15.318 -1.696 385 HA THR 30 HA THR 30 8.790 -16.229 1.060 386 HB THR 30 HB THR 30 7.458 -14.310 1.600 387 HG1 THR 30 HG1 THR 30 5.538 -15.449 2.484 388 HG21 THR 30 1HG2 THR 30 5.234 -13.963 0.806 389 HG22 THR 30 2HG2 THR 30 5.179 -15.424 -0.191 390 HG23 THR 30 3HG2 THR 30 6.247 -14.053 -0.667 391 HXT THR 30 H02 THR 30 7.464 -19.111 0.175 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 1.425 -0.989 -0.133 2 H2 GLY 1 2H GLY 1 2.364 0.288 -0.060 3 HA2 GLY 1 1HA GLY 1 4.036 -0.712 -1.372 4 HA3 GLY 1 2HA GLY 1 3.194 -2.271 -1.308 5 H ILE 2 H ILE 2 3.488 -2.178 -3.649 6 HA ILE 2 HA ILE 2 2.472 -0.094 -5.265 7 HB ILE 2 HB ILE 2 2.596 -3.081 -6.088 8 HG12 ILE 2 1HG1 ILE 2 4.905 -1.061 -6.017 9 HG13 ILE 2 2HG1 ILE 2 4.704 -2.436 -4.975 10 HG21 ILE 2 1HG2 ILE 2 3.040 -2.221 -8.372 11 HG22 ILE 2 2HG2 ILE 2 1.520 -1.539 -7.753 12 HG23 ILE 2 3HG2 ILE 2 3.001 -0.547 -7.783 13 HD11 ILE 2 3HD1 ILE 2 6.307 -3.105 -6.564 14 HD12 ILE 2 1HD1 ILE 2 4.808 -3.884 -7.126 15 HD13 ILE 2 2HD1 ILE 2 5.414 -2.413 -7.913 16 H VAL 3 H VAL 3 0.831 -3.107 -4.268 17 HA VAL 3 HA VAL 3 -1.403 -2.714 -5.951 18 HB VAL 3 HB VAL 3 -1.252 -4.237 -3.319 19 HG11 VAL 3 1HG1 VAL 3 -3.235 -4.424 -5.591 20 HG12 VAL 3 2HG1 VAL 3 -3.187 -5.486 -4.151 21 HG13 VAL 3 3HG1 VAL 3 -3.575 -3.746 -3.968 22 HG21 VAL 3 3HG2 VAL 3 0.410 -5.196 -4.878 23 HG22 VAL 3 1HG2 VAL 3 -1.003 -6.264 -4.895 24 HG23 VAL 3 2HG2 VAL 3 -0.782 -5.119 -6.220 25 H GLU 4 H GLU 4 -0.745 -1.748 -2.554 26 HA GLU 4 HA GLU 4 -3.430 -0.797 -2.027 27 HB2 GLU 4 1HB GLU 4 -1.777 -1.543 -0.248 28 HB3 GLU 4 2HB GLU 4 -0.801 -0.100 -0.543 29 HG2 GLU 4 1HG GLU 4 -2.161 0.031 1.404 30 HG3 GLU 4 2HG GLU 4 -2.612 1.270 0.218 31 HE2 GLU 4 HE2 GLU 4 -4.546 1.363 -0.274 32 H GLN 5 H GLN 5 -0.399 0.760 -2.929 33 HA GLN 5 HA GLN 5 -1.349 3.456 -2.962 34 HB2 GLN 5 1HB GLN 5 0.871 1.989 -4.396 35 HB3 GLN 5 2HB GLN 5 0.616 3.739 -4.515 36 HG2 GLN 5 1HG GLN 5 1.039 4.074 -2.153 37 HG3 GLN 5 2HG GLN 5 0.911 2.328 -1.862 38 HE21 GLN 5 2HE2 GLN 5 3.030 3.513 -0.851 39 HE22 GLN 5 1HE2 GLN 5 4.501 3.159 -1.752 40 H CYS 6 H CYS 6 -1.229 0.900 -5.548 41 HA CYS 6 HA CYS 6 -2.314 2.856 -7.424 42 HB2 CYS 6 1HB CYS 6 -0.669 0.984 -7.909 43 HB3 CYS 6 2HB CYS 6 -2.076 -0.071 -7.998 44 H CYS 7 H CYS 7 -3.602 -0.211 -6.090 45 HA CYS 7 HA CYS 7 -6.021 -0.132 -7.580 46 HB2 CYS 7 1HB CYS 7 -4.899 -1.999 -6.351 47 HB3 CYS 7 2HB CYS 7 -5.602 -1.404 -4.865 48 H THR 8 H THR 8 -5.208 1.807 -4.788 49 HA THR 8 HA THR 8 -7.948 2.199 -3.904 50 HB THR 8 HB THR 8 -5.844 2.621 -2.534 51 HG1 THR 8 HG1 THR 8 -7.931 4.503 -2.787 52 HG21 THR 8 1HG2 THR 8 -5.907 5.419 -3.737 53 HG22 THR 8 2HG2 THR 8 -4.803 4.151 -4.392 54 HG23 THR 8 3HG2 THR 8 -4.664 4.667 -2.702 55 H SER 9 H SER 9 -6.440 3.073 -6.739 56 HA SER 9 HA SER 9 -8.412 5.241 -7.268 57 HB2 SER 9 1HB SER 9 -6.637 6.531 -8.364 58 HB3 SER 9 2HB SER 9 -6.172 6.239 -6.661 59 HG SER 9 HG SER 9 -5.182 4.222 -7.756 60 H ILE 10 H ILE 10 -7.980 5.601 -9.904 61 HA ILE 10 HA ILE 10 -8.105 2.872 -11.124 62 HB ILE 10 HB ILE 10 -8.604 5.668 -12.281 63 HG12 ILE 10 1HG1 ILE 10 -10.766 4.324 -13.036 64 HG13 ILE 10 2HG1 ILE 10 -10.308 3.277 -11.674 65 HG21 ILE 10 1HG2 ILE 10 -9.115 4.379 -14.479 66 HG22 ILE 10 2HG2 ILE 10 -7.417 4.563 -14.082 67 HG23 ILE 10 3HG2 ILE 10 -8.200 3.013 -13.787 68 HD11 ILE 10 3HD1 ILE 10 -10.780 6.303 -11.474 69 HD12 ILE 10 1HD1 ILE 10 -11.993 5.075 -11.074 70 HD13 ILE 10 2HD1 ILE 10 -10.474 5.194 -10.118 71 H CYS 11 H CYS 11 -6.341 1.997 -11.842 72 HA CYS 11 HA CYS 11 -3.792 3.383 -11.656 73 HB2 CYS 11 1HB CYS 11 -4.699 0.643 -12.611 74 HB3 CYS 11 2HB CYS 11 -3.006 1.140 -12.647 75 H SER 12 H SER 12 -2.441 3.798 -13.202 76 HA SER 12 HA SER 12 -3.372 3.686 -16.033 77 HB2 SER 12 1HB SER 12 -2.143 6.063 -14.596 78 HB3 SER 12 2HB SER 12 -2.484 5.963 -16.370 79 HG SER 12 HG SER 12 -4.221 6.117 -14.109 80 H LEU 13 H LEU 13 -1.750 3.489 -17.585 81 HA LEU 13 HA LEU 13 0.532 1.957 -16.968 82 HB2 LEU 13 1HB LEU 13 0.011 3.620 -19.503 83 HB3 LEU 13 2HB LEU 13 1.252 2.356 -19.314 84 HG LEU 13 HG LEU 13 -0.456 1.224 -20.434 85 HD11 LEU 13 1HD1 LEU 13 -1.306 -0.544 -19.008 86 HD12 LEU 13 2HD1 LEU 13 -1.405 0.498 -17.603 87 HD13 LEU 13 3HD1 LEU 13 0.189 0.018 -18.180 88 HD21 LEU 13 3HD2 LEU 13 -2.115 2.961 -20.282 89 HD22 LEU 13 1HD2 LEU 13 -2.646 2.435 -18.659 90 HD23 LEU 13 2HD2 LEU 13 -2.850 1.374 -20.072 91 H TYR 14 H TYR 14 0.306 5.462 -17.347 92 HA TYR 14 HA TYR 14 3.148 5.845 -17.377 93 HB2 TYR 14 1HB TYR 14 1.090 7.555 -17.942 94 HB3 TYR 14 2HB TYR 14 1.182 7.903 -16.240 95 HD1 TYR 14 HD1 TYR 14 3.519 8.541 -15.238 96 HD2 TYR 14 HD2 TYR 14 2.681 8.605 -19.426 97 HE1 TYR 14 HE1 TYR 14 5.339 10.064 -15.487 98 HE2 TYR 14 HE2 TYR 14 5.076 9.386 -19.569 99 HH TYR 14 HH TYR 14 6.889 11.010 -16.974 100 H GLN 15 H GLN 15 0.692 5.596 -14.717 101 HA GLN 15 HA GLN 15 2.640 6.359 -12.792 102 HB2 GLN 15 1HB GLN 15 0.095 4.774 -12.494 103 HB3 GLN 15 2HB GLN 15 1.103 5.314 -11.121 104 HG2 GLN 15 1HG GLN 15 0.665 7.679 -11.727 105 HG3 GLN 15 2HG GLN 15 -0.300 7.160 -13.125 106 HE21 GLN 15 2HE2 GLN 15 -0.672 8.347 -10.046 107 HE22 GLN 15 1HE2 GLN 15 -2.191 7.543 -9.620 108 H LEU 16 H LEU 16 1.426 3.218 -14.048 109 HA LEU 16 HA LEU 16 2.868 1.521 -12.378 110 HB2 LEU 16 1HB LEU 16 1.981 1.129 -15.250 111 HB3 LEU 16 2HB LEU 16 2.697 -0.123 -14.219 112 HG LEU 16 HG LEU 16 0.164 1.356 -13.509 113 HD11 LEU 16 1HD1 LEU 16 0.468 -1.386 -14.800 114 HD12 LEU 16 2HD1 LEU 16 -0.233 0.066 -15.529 115 HD13 LEU 16 3HD1 LEU 16 -1.025 -0.699 -14.146 116 HD21 LEU 16 3HD2 LEU 16 -0.169 -0.405 -11.927 117 HD22 LEU 16 1HD2 LEU 16 1.393 0.443 -11.617 118 HD23 LEU 16 2HD2 LEU 16 1.363 -1.182 -12.378 119 H GLU 17 H GLU 17 4.035 3.323 -15.169 120 HA GLU 17 HA GLU 17 6.394 1.874 -15.539 121 HB2 GLU 17 1HB GLU 17 5.322 4.487 -16.269 122 HB3 GLU 17 2HB GLU 17 7.104 4.465 -16.078 123 HG2 GLU 17 1HG GLU 17 7.207 2.449 -17.572 124 HG3 GLU 17 2HG GLU 17 5.471 2.654 -17.863 125 HE2 GLU 17 HE2 GLU 17 8.187 3.018 -19.150 126 H ASN 18 H ASN 18 5.471 4.095 -12.893 127 HA ASN 18 HA ASN 18 8.188 4.817 -12.087 128 HB2 ASN 18 1HB ASN 18 5.501 4.738 -10.649 129 HB3 ASN 18 2HB ASN 18 7.002 5.338 -9.924 130 HD21 ASN 18 2HD2 ASN 18 4.262 6.380 -11.014 131 HD22 ASN 18 1HD2 ASN 18 4.724 7.836 -11.847 132 H TYR 19 H TYR 19 6.256 1.932 -11.772 133 HA TYR 19 HA TYR 19 7.899 0.932 -9.431 134 HB2 TYR 19 1HB TYR 19 5.413 -0.241 -10.877 135 HB3 TYR 19 2HB TYR 19 6.179 -0.955 -9.449 136 HD1 TYR 19 HD1 TYR 19 6.178 0.473 -7.297 137 HD2 TYR 19 HD2 TYR 19 3.777 1.442 -10.714 138 HE1 TYR 19 HE1 TYR 19 4.796 1.926 -5.869 139 HE2 TYR 19 HE2 TYR 19 2.249 2.886 -9.249 140 HH TYR 19 HH TYR 19 3.072 3.118 -5.645 141 H CYS 20 H CYS 20 8.114 1.237 -12.700 142 HA CYS 20 HA CYS 20 8.867 -1.574 -13.412 143 HB2 CYS 20 1HB CYS 20 7.659 -0.282 -15.126 144 HB3 CYS 20 2HB CYS 20 8.844 1.022 -15.075 145 H ASN 21 H ASN 21 11.104 -1.747 -14.500 146 HA ASN 21 HA ASN 21 13.023 -1.193 -12.529 147 HB2 ASN 21 1HB ASN 21 14.618 -2.269 -14.030 148 HB3 ASN 21 2HB ASN 21 13.087 -2.999 -14.346 149 HD21 ASN 21 2HD2 ASN 21 15.702 -2.129 -15.971 150 HD22 ASN 21 1HD2 ASN 21 15.025 -1.502 -17.421 151 HXT ASN 21 H02 ASN 21 12.352 0.559 -15.263 152 H1 PHE 1 1H PHE 1 -3.278 -1.392 -21.617 153 H2 PHE 1 2H PHE 1 -2.900 -0.762 -20.059 154 HA PHE 1 HA PHE 1 -4.631 -3.073 -20.729 155 HB2 PHE 1 1HB PHE 1 -2.362 -2.741 -18.758 156 HB3 PHE 1 2HB PHE 1 -3.099 -4.223 -19.256 157 HD1 PHE 1 HD2 PHE 1 -2.968 -4.498 -22.031 158 HD2 PHE 1 HD1 PHE 1 -0.321 -2.179 -19.501 159 HE1 PHE 1 HE2 PHE 1 -1.225 -4.761 -23.700 160 HE2 PHE 1 HE1 PHE 1 1.465 -2.380 -21.314 161 HZ PHE 1 HZ PHE 1 1.009 -3.595 -23.324 162 H VAL 2 H VAL 2 -6.522 -2.228 -20.076 163 HA VAL 2 HA VAL 2 -8.331 -2.114 -18.738 164 HB VAL 2 HB VAL 2 -6.628 -3.308 -16.521 165 HG11 VAL 2 1HG1 VAL 2 -8.805 -4.215 -15.740 166 HG12 VAL 2 2HG1 VAL 2 -8.830 -2.429 -15.785 167 HG13 VAL 2 3HG1 VAL 2 -9.665 -3.362 -17.074 168 HG21 VAL 2 3HG2 VAL 2 -7.685 -5.493 -17.431 169 HG22 VAL 2 1HG2 VAL 2 -7.920 -4.540 -18.965 170 HG23 VAL 2 2HG2 VAL 2 -6.297 -4.753 -18.293 171 H ASN 3 H ASN 3 -8.831 -0.091 -18.518 172 HA ASN 3 HA ASN 3 -7.301 1.726 -16.766 173 HB2 ASN 3 1HB ASN 3 -9.768 2.175 -18.517 174 HB3 ASN 3 2HB ASN 3 -8.874 3.425 -17.653 175 HD21 ASN 3 2HD2 ASN 3 -6.342 3.118 -18.151 176 HD22 ASN 3 1HD2 ASN 3 -5.972 3.007 -19.846 177 H GLN 4 H GLN 4 -8.074 0.054 -14.965 178 HA GLN 4 HA GLN 4 -10.332 1.426 -13.614 179 HB2 GLN 4 1HB GLN 4 -10.656 -1.095 -14.921 180 HB3 GLN 4 2HB GLN 4 -10.546 -1.429 -13.198 181 HG2 GLN 4 1HG GLN 4 -12.498 0.629 -14.360 182 HG3 GLN 4 2HG GLN 4 -12.885 -1.095 -14.204 183 HE21 GLN 4 2HE2 GLN 4 -13.872 1.447 -12.885 184 HE22 GLN 4 1HE2 GLN 4 -13.885 1.039 -11.205 185 H HIS 5 H HIS 5 -10.515 -0.270 -11.365 186 HA HIS 5 HA HIS 5 -8.058 0.450 -9.957 187 HB2 HIS 5 1HB HIS 5 -10.644 -1.052 -9.276 188 HB3 HIS 5 2HB HIS 5 -9.386 -0.760 -8.074 189 HD1 HIS 5 HD1 HIS 5 -9.349 1.589 -6.973 190 HD2 HIS 5 HD2 HIS 5 -12.078 1.291 -10.146 191 HE1 HIS 5 HE1 HIS 5 -10.771 3.736 -6.933 192 HE2 HIS 5 H01 HIS 5 -12.416 3.501 -8.894 193 H LEU 6 H LEU 6 -6.397 -0.797 -10.885 194 HA LEU 6 HA LEU 6 -6.776 -3.693 -11.274 195 HB2 LEU 6 1HB LEU 6 -4.515 -1.733 -11.530 196 HB3 LEU 6 2HB LEU 6 -4.200 -3.459 -11.506 197 HG LEU 6 HG LEU 6 -6.130 -2.226 -13.478 198 HD11 LEU 6 1HD1 LEU 6 -3.121 -2.385 -13.457 199 HD12 LEU 6 2HD1 LEU 6 -4.190 -1.076 -14.002 200 HD13 LEU 6 3HD1 LEU 6 -3.990 -2.516 -15.002 201 HD21 LEU 6 3HD2 LEU 6 -5.644 -4.263 -14.778 202 HD22 LEU 6 1HD2 LEU 6 -6.175 -4.729 -13.154 203 HD23 LEU 6 2HD2 LEU 6 -4.473 -4.793 -13.600 204 H CYS 7 H CYS 7 -6.651 -5.184 -9.758 205 HA CYS 7 HA CYS 7 -4.861 -4.756 -7.390 206 HB2 CYS 7 1HB CYS 7 -7.791 -5.160 -7.538 207 HB3 CYS 7 2HB CYS 7 -6.982 -6.372 -6.553 208 H AIB 8 H AIB 8 -4.460 -6.794 -6.226 209 HB11 AIB 8 1HB1 AIB 8 -5.740 -9.413 -5.743 210 HB12 AIB 8 3HB1 AIB 8 -4.978 -10.682 -6.654 211 HB13 AIB 8 1HB2 AIB 8 -6.049 -9.566 -7.505 212 HB21 AIB 8 3HB2 AIB 8 -2.697 -9.773 -5.728 213 HB22 AIB 8 2HB1 AIB 8 -3.562 -8.508 -4.879 214 HB23 AIB 8 2HB2 AIB 8 -2.322 -8.055 -5.991 215 H SER 9 H SER 9 -4.134 -10.833 -8.346 216 HA SER 9 HA SER 9 -1.780 -10.952 -9.841 217 HB2 SER 9 1HB SER 9 -3.374 -12.846 -9.525 218 HB3 SER 9 2HB SER 9 -4.526 -12.012 -10.610 219 HG SER 9 HG SER 9 -3.110 -13.588 -11.657 220 H HIS 10 H HIS 10 -4.787 -9.215 -10.528 221 HA HIS 10 HA HIS 10 -4.210 -8.914 -13.307 222 HB2 HIS 10 1HB HIS 10 -5.944 -7.017 -11.699 223 HB3 HIS 10 2HB HIS 10 -6.151 -7.513 -13.372 224 HD1 HIS 10 HD1 HIS 10 -6.945 -10.132 -13.701 225 HD2 HIS 10 HD2 HIS 10 -7.315 -8.387 -9.868 226 HE1 HIS 10 HE1 HIS 10 -8.662 -11.546 -12.387 227 HE2 HIS 10 H01 HIS 10 -8.784 -10.521 -10.081 228 H LEU 11 H LEU 11 -3.377 -7.010 -10.419 229 HA LEU 11 HA LEU 11 -2.464 -4.721 -11.807 230 HB2 LEU 11 1HB LEU 11 -3.177 -4.741 -9.476 231 HB3 LEU 11 2HB LEU 11 -1.895 -5.846 -9.067 232 HG LEU 11 HG LEU 11 -1.686 -3.594 -8.201 233 HD11 LEU 11 1HD1 LEU 11 0.633 -4.567 -9.901 234 HD12 LEU 11 2HD1 LEU 11 0.229 -5.179 -8.302 235 HD13 LEU 11 3HD1 LEU 11 0.744 -3.508 -8.493 236 HD21 LEU 11 3HD2 LEU 11 -0.604 -1.866 -9.631 237 HD22 LEU 11 1HD2 LEU 11 -2.277 -2.194 -10.105 238 HD23 LEU 11 2HD2 LEU 11 -0.962 -2.851 -11.046 239 H VAL 12 H VAL 12 -1.017 -7.768 -10.594 240 HA VAL 12 HA VAL 12 1.701 -7.066 -11.198 241 HB VAL 12 HB VAL 12 0.327 -9.780 -10.860 242 HG11 VAL 12 1HG1 VAL 12 3.273 -9.226 -10.982 243 HG12 VAL 12 2HG1 VAL 12 2.514 -10.779 -10.612 244 HG13 VAL 12 3HG1 VAL 12 2.290 -10.046 -12.223 245 HG21 VAL 12 3HG2 VAL 12 1.630 -9.829 -8.682 246 HG22 VAL 12 1HG2 VAL 12 1.900 -8.073 -8.928 247 HG23 VAL 12 2HG2 VAL 12 0.218 -8.681 -8.791 248 H GLU 13 H GLU 13 -0.844 -8.792 -13.016 249 HA GLU 13 HA GLU 13 0.787 -9.462 -15.283 250 HB2 GLU 13 1HB GLU 13 -1.401 -10.487 -14.830 251 HB3 GLU 13 2HB GLU 13 -2.211 -8.960 -14.914 252 HG2 GLU 13 1HG GLU 13 -1.643 -8.834 -17.346 253 HG3 GLU 13 2HG GLU 13 -0.934 -10.461 -17.215 254 HE2 GLU 13 HE2 GLU 13 -4.834 -9.771 -17.189 255 H ALA 14 H ALA 14 -1.275 -6.562 -14.585 256 HA ALA 14 HA ALA 14 -0.723 -5.258 -17.092 257 HB1 ALA 14 3HB ALA 14 -1.384 -4.123 -14.330 258 HB2 ALA 14 1HB ALA 14 -1.371 -3.199 -15.841 259 HB3 ALA 14 2HB ALA 14 -2.525 -4.557 -15.618 260 H LEU 15 H LEU 15 0.937 -5.089 -13.891 261 HA LEU 15 HA LEU 15 2.849 -3.078 -14.763 262 HB2 LEU 15 1HB LEU 15 2.404 -4.611 -12.469 263 HB3 LEU 15 2HB LEU 15 4.000 -5.115 -13.035 264 HG LEU 15 HG LEU 15 3.300 -2.283 -12.328 265 HD11 LEU 15 1HD1 LEU 15 3.474 -3.951 -10.460 266 HD12 LEU 15 2HD1 LEU 15 4.698 -2.670 -10.390 267 HD13 LEU 15 3HD1 LEU 15 5.130 -4.309 -10.977 268 HD21 LEU 15 3HD2 LEU 15 5.790 -1.914 -12.462 269 HD22 LEU 15 1HD2 LEU 15 5.021 -2.155 -14.026 270 HD23 LEU 15 2HD2 LEU 15 5.932 -3.456 -13.263 271 H TYR 16 H TYR 16 2.887 -6.678 -15.020 272 HA TYR 16 HA TYR 16 5.476 -6.838 -16.149 273 HB2 TYR 16 1HB TYR 16 4.411 -8.713 -15.104 274 HB3 TYR 16 2HB TYR 16 3.113 -8.690 -16.304 275 HD1 TYR 16 HD1 TYR 16 6.772 -9.298 -15.876 276 HD2 TYR 16 HD2 TYR 16 3.300 -9.936 -18.323 277 HE1 TYR 16 HE1 TYR 16 8.106 -10.801 -17.319 278 HE2 TYR 16 HE2 TYR 16 4.623 -11.499 -19.786 279 HH TYR 16 HH TYR 16 6.803 -12.508 -20.115 280 H LEU 17 H LEU 17 2.330 -6.375 -17.577 281 HA LEU 17 HA LEU 17 3.235 -6.824 -20.317 282 HB2 LEU 17 1HB LEU 17 0.863 -5.413 -19.141 283 HB3 LEU 17 2HB LEU 17 1.157 -5.447 -20.871 284 HG LEU 17 HG LEU 17 0.843 -7.938 -19.233 285 HD11 LEU 17 1HD1 LEU 17 -1.495 -8.010 -20.043 286 HD12 LEU 17 2HD1 LEU 17 -1.303 -6.331 -20.583 287 HD13 LEU 17 3HD1 LEU 17 -1.167 -6.713 -18.870 288 HD21 LEU 17 3HD2 LEU 17 1.870 -8.007 -21.570 289 HD22 LEU 17 1HD2 LEU 17 0.261 -7.609 -22.142 290 HD23 LEU 17 2HD2 LEU 17 0.509 -9.086 -21.208 291 H VAL 18 H VAL 18 2.863 -3.918 -18.245 292 HA VAL 18 HA VAL 18 3.589 -2.283 -20.530 293 HB VAL 18 HB VAL 18 2.001 -1.475 -18.688 294 HG11 VAL 18 1HG1 VAL 18 4.554 -1.059 -17.160 295 HG12 VAL 18 2HG1 VAL 18 2.946 -0.430 -16.719 296 HG13 VAL 18 3HG1 VAL 18 3.239 -2.160 -16.753 297 HG21 VAL 18 3HG2 VAL 18 3.011 -0.091 -20.444 298 HG22 VAL 18 1HG2 VAL 18 2.705 0.806 -18.963 299 HG23 VAL 18 2HG2 VAL 18 4.332 0.311 -19.344 300 H CYS 19 H CYS 19 5.329 -3.605 -17.697 301 HA CYS 19 HA CYS 19 7.681 -1.886 -18.235 302 HB2 CYS 19 1HB CYS 19 7.001 -2.732 -15.931 303 HB3 CYS 19 2HB CYS 19 7.576 -4.336 -16.417 304 H GLY 20 H GLY 20 6.646 -5.218 -19.021 305 HA2 GLY 20 1HA GLY 20 7.556 -5.927 -21.238 306 HA3 GLY 20 2HA GLY 20 9.166 -5.369 -20.682 307 H GLU 21 H GLU 21 9.140 -7.749 -21.680 308 HA GLU 21 HA GLU 21 8.288 -9.815 -19.903 309 HB2 GLU 21 1HB GLU 21 10.169 -9.736 -22.233 310 HB3 GLU 21 2HB GLU 21 9.804 -11.209 -21.300 311 HG2 GLU 21 1HG GLU 21 7.448 -10.950 -21.827 312 HG3 GLU 21 2HG GLU 21 7.810 -9.477 -22.738 313 HE2 GLU 21 HE2 GLU 21 7.732 -12.085 -25.133 314 H ARG 22 H ARG 22 11.087 -7.755 -19.755 315 HA ARG 22 HA ARG 22 12.830 -9.759 -18.506 316 HB2 ARG 22 1HB ARG 22 13.021 -6.734 -18.382 317 HB3 ARG 22 2HB ARG 22 14.321 -7.912 -18.168 318 HG2 ARG 22 1HG ARG 22 12.878 -7.001 -20.747 319 HG3 ARG 22 2HG ARG 22 14.583 -6.873 -20.335 320 HD2 ARG 22 1HD ARG 22 13.079 -9.436 -20.951 321 HD3 ARG 22 2HD ARG 22 14.256 -8.649 -22.053 322 HE ARG 22 HE ARG 22 15.504 -9.093 -19.521 323 HH11 ARG 22 1HH1 ARG 22 14.380 -10.953 -22.303 324 HH12 ARG 22 2HH1 ARG 22 15.542 -12.255 -22.008 325 HH21 ARG 22 1HH2 ARG 22 16.939 -10.699 -19.194 326 HH22 ARG 22 2HH2 ARG 22 16.978 -12.089 -20.238 327 H GLY 23 H GLY 23 9.990 -8.317 -17.410 328 HA2 GLY 23 1HA GLY 23 9.035 -8.374 -15.339 329 HA3 GLY 23 2HA GLY 23 10.579 -8.863 -14.608 330 H PHE 24 H PHE 24 9.613 -7.093 -13.034 331 HA PHE 24 HA PHE 24 10.567 -4.390 -13.940 332 HB2 PHE 24 1HB PHE 24 8.853 -3.626 -12.115 333 HB3 PHE 24 2HB PHE 24 8.292 -4.105 -13.742 334 HD1 PHE 24 HD2 PHE 24 8.354 -5.175 -10.207 335 HD2 PHE 24 HD1 PHE 24 6.958 -5.978 -14.208 336 HE1 PHE 24 HE2 PHE 24 6.763 -6.814 -9.333 337 HE2 PHE 24 HE1 PHE 24 5.324 -7.639 -13.309 338 HZ PHE 24 HZ PHE 24 5.263 -8.075 -10.838 339 H PHE 25 H PHE 25 10.194 -6.476 -11.052 340 HA PHE 25 HA PHE 25 12.579 -5.191 -9.905 341 HB2 PHE 25 1HB PHE 25 10.117 -4.113 -9.299 342 HB3 PHE 25 2HB PHE 25 10.190 -5.414 -8.102 343 HD1 PHE 25 HD1 PHE 25 11.902 -2.387 -9.500 344 HD2 PHE 25 HD2 PHE 25 11.584 -5.158 -6.244 345 HE1 PHE 25 HE1 PHE 25 13.411 -0.915 -8.145 346 HE2 PHE 25 HE2 PHE 25 13.031 -3.703 -4.813 347 HZ PHE 25 HZ PHE 25 13.884 -1.501 -5.798 348 H TYR 26 H TYR 26 13.213 -6.416 -7.974 349 HA TYR 26 HA TYR 26 12.032 -9.152 -7.702 350 HB2 TYR 26 1HB TYR 26 14.927 -8.281 -7.709 351 HB3 TYR 26 2HB TYR 26 14.392 -9.769 -6.912 352 HD1 TYR 26 HD1 TYR 26 12.973 -11.455 -8.362 353 HD2 TYR 26 HD2 TYR 26 15.578 -8.392 -9.930 354 HE1 TYR 26 HE1 TYR 26 13.194 -12.719 -10.543 355 HE2 TYR 26 HE2 TYR 26 15.752 -9.621 -12.099 356 HH TYR 26 HH TYR 26 14.163 -12.749 -12.724 357 H THR 27 H THR 27 11.486 -9.624 -5.565 358 HA THR 27 HA THR 27 12.767 -8.011 -3.412 359 HB THR 27 HB THR 27 10.694 -6.722 -4.070 360 HG1 THR 27 HG1 THR 27 9.883 -6.549 -1.951 361 HG21 THR 27 1HG2 THR 27 9.239 -8.644 -4.719 362 HG22 THR 27 2HG2 THR 27 8.507 -7.559 -3.499 363 HG23 THR 27 3HG2 THR 27 9.196 -9.148 -2.995 364 H LYS 28 H LYS 28 12.345 -9.052 -1.254 365 HA LYS 28 HA LYS 28 12.368 -12.022 -1.699 366 HB2 LYS 28 1HB LYS 28 13.133 -10.308 0.659 367 HB3 LYS 28 2HB LYS 28 13.150 -12.075 0.654 368 HG2 LYS 28 1HG LYS 28 14.818 -12.072 -1.189 369 HG3 LYS 28 2HG LYS 28 14.779 -10.333 -1.220 370 HD2 LYS 28 1HD LYS 28 16.742 -10.852 0.061 371 HD3 LYS 28 2HD LYS 28 15.567 -10.353 1.277 372 HE2 LYS 28 1HE LYS 28 16.698 -12.364 2.032 373 HE3 LYS 28 2HE LYS 28 14.960 -12.702 1.773 374 HZ1 LYS 28 3HZ LYS 28 16.339 -14.415 0.737 375 HZ2 LYS 28 1HZ LYS 28 17.131 -13.237 -0.140 376 HZ3 LYS 28 2HZ LYS 28 15.507 -13.580 -0.432 377 HA PRO 29 HA PRO 29 8.271 -11.824 0.372 378 HB2 PRO 29 1HB PRO 29 7.550 -14.419 0.058 379 HB3 PRO 29 2HB PRO 29 7.434 -13.267 -1.284 380 HG2 PRO 29 1HG PRO 29 9.571 -15.295 -0.736 381 HG3 PRO 29 2HG PRO 29 8.781 -14.920 -2.271 382 HD2 PRO 29 1HD PRO 29 11.268 -13.930 -1.610 383 HD3 PRO 29 2HD PRO 29 10.094 -13.047 -2.634 384 H THR 30 H THR 30 8.629 -11.614 2.521 385 HA THR 30 HA THR 30 10.345 -13.565 3.870 386 HB THR 30 HB THR 30 9.742 -12.126 5.985 387 HG1 THR 30 HG1 THR 30 9.069 -9.939 4.723 388 HG21 THR 30 1HG2 THR 30 11.040 -10.670 3.514 389 HG22 THR 30 2HG2 THR 30 11.967 -11.788 4.567 390 HG23 THR 30 3HG2 THR 30 11.309 -10.249 5.219 391 HXT THR 30 H02 THR 30 8.259 -15.520 5.458 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 2.788 1.853 -1.854 2 H2 GLY 1 2H GLY 1 4.286 1.432 -1.374 3 HA2 GLY 1 1HA GLY 1 4.157 -0.575 -2.755 4 HA3 GLY 1 2HA GLY 1 2.725 -0.506 -1.669 5 H ILE 2 H ILE 2 3.444 -1.650 -4.573 6 HA ILE 2 HA ILE 2 2.162 -0.153 -6.522 7 HB ILE 2 HB ILE 2 1.856 -3.165 -6.439 8 HG12 ILE 2 1HG1 ILE 2 4.145 -2.885 -5.627 9 HG13 ILE 2 2HG1 ILE 2 4.086 -3.646 -7.212 10 HG21 ILE 2 1HG2 ILE 2 2.657 -1.294 -8.793 11 HG22 ILE 2 2HG2 ILE 2 2.124 -3.004 -8.904 12 HG23 ILE 2 3HG2 ILE 2 0.997 -1.723 -8.426 13 HD11 ILE 2 3HD1 ILE 2 4.748 -0.693 -6.932 14 HD12 ILE 2 1HD1 ILE 2 5.981 -1.994 -6.840 15 HD13 ILE 2 2HD1 ILE 2 4.990 -1.808 -8.325 16 H VAL 3 H VAL 3 0.873 -2.764 -4.431 17 HA VAL 3 HA VAL 3 -1.789 -2.610 -5.299 18 HB VAL 3 HB VAL 3 -0.661 -4.549 -4.122 19 HG11 VAL 3 1HG1 VAL 3 -0.369 -4.637 -1.741 20 HG12 VAL 3 2HG1 VAL 3 0.223 -3.020 -2.122 21 HG13 VAL 3 3HG1 VAL 3 -1.405 -3.251 -1.452 22 HG21 VAL 3 3HG2 VAL 3 -3.233 -3.781 -2.755 23 HG22 VAL 3 1HG2 VAL 3 -3.165 -4.311 -4.459 24 HG23 VAL 3 2HG2 VAL 3 -2.637 -5.376 -3.142 25 H GLU 4 H GLU 4 -0.047 -0.802 -2.831 26 HA GLU 4 HA GLU 4 -2.413 0.304 -1.624 27 HB2 GLU 4 1HB GLU 4 0.401 1.354 -1.736 28 HB3 GLU 4 2HB GLU 4 -0.893 1.960 -0.694 29 HG2 GLU 4 1HG GLU 4 0.311 -0.852 -0.551 30 HG3 GLU 4 2HG GLU 4 0.588 0.454 0.581 31 HE2 GLU 4 HE2 GLU 4 -2.844 0.222 1.604 32 H GLN 5 H GLN 5 -0.287 1.212 -4.368 33 HA GLN 5 HA GLN 5 -1.502 3.752 -4.735 34 HB2 GLN 5 1HB GLN 5 0.762 2.961 -5.618 35 HB3 GLN 5 2HB GLN 5 -0.149 2.116 -6.896 36 HG2 GLN 5 1HG GLN 5 0.367 4.085 -7.959 37 HG3 GLN 5 2HG GLN 5 -1.218 4.502 -7.324 38 HE21 GLN 5 2HE2 GLN 5 2.156 4.993 -7.002 39 HE22 GLN 5 1HE2 GLN 5 2.027 6.369 -5.920 40 H CYS 6 H CYS 6 -2.045 0.518 -6.180 41 HA CYS 6 HA CYS 6 -4.044 1.690 -7.972 42 HB2 CYS 6 1HB CYS 6 -2.782 -1.045 -7.921 43 HB3 CYS 6 2HB CYS 6 -3.898 -0.445 -9.132 44 H CYS 7 H CYS 7 -4.249 -0.416 -5.093 45 HA CYS 7 HA CYS 7 -6.749 -1.630 -6.006 46 HB2 CYS 7 1HB CYS 7 -5.034 -2.549 -4.384 47 HB3 CYS 7 2HB CYS 7 -5.701 -1.492 -3.166 48 H THR 8 H THR 8 -5.837 1.428 -4.780 49 HA THR 8 HA THR 8 -8.716 1.940 -4.129 50 HB THR 8 HB THR 8 -7.272 2.031 -2.128 51 HG1 THR 8 HG1 THR 8 -8.102 4.203 -1.676 52 HG21 THR 8 1HG2 THR 8 -6.167 4.680 -3.054 53 HG22 THR 8 2HG2 THR 8 -5.280 3.233 -3.596 54 HG23 THR 8 3HG2 THR 8 -5.507 3.514 -1.864 55 H SER 9 H SER 9 -9.495 3.969 -4.775 56 HA SER 9 HA SER 9 -9.876 5.309 -6.610 57 HB2 SER 9 1HB SER 9 -8.194 6.610 -5.259 58 HB3 SER 9 2HB SER 9 -6.945 5.965 -6.407 59 HG SER 9 HG SER 9 -9.200 7.600 -6.906 60 H ILE 10 H ILE 10 -7.746 5.964 -8.681 61 HA ILE 10 HA ILE 10 -7.463 3.364 -10.087 62 HB ILE 10 HB ILE 10 -8.319 6.031 -11.415 63 HG12 ILE 10 1HG1 ILE 10 -10.142 5.117 -10.016 64 HG13 ILE 10 2HG1 ILE 10 -10.558 5.178 -11.723 65 HG21 ILE 10 1HG2 ILE 10 -8.769 4.610 -13.434 66 HG22 ILE 10 2HG2 ILE 10 -7.076 4.619 -12.966 67 HG23 ILE 10 3HG2 ILE 10 -8.048 3.217 -12.573 68 HD11 ILE 10 3HD1 ILE 10 -9.605 2.600 -10.369 69 HD12 ILE 10 1HD1 ILE 10 -11.307 3.068 -10.556 70 HD13 ILE 10 2HD1 ILE 10 -10.292 2.788 -11.995 71 H CYS 11 H CYS 11 -5.289 3.104 -10.128 72 HA CYS 11 HA CYS 11 -3.501 5.457 -10.287 73 HB2 CYS 11 1HB CYS 11 -1.676 3.961 -10.012 74 HB3 CYS 11 2HB CYS 11 -2.943 3.425 -8.891 75 H SER 12 H SER 12 -1.823 5.610 -11.944 76 HA SER 12 HA SER 12 -3.011 5.017 -14.598 77 HB2 SER 12 1HB SER 12 -1.731 6.858 -15.382 78 HB3 SER 12 2HB SER 12 -2.561 7.352 -13.921 79 HG SER 12 HG SER 12 -0.653 8.021 -13.360 80 H LEU 13 H LEU 13 -1.690 4.337 -16.370 81 HA LEU 13 HA LEU 13 0.270 2.294 -15.643 82 HB2 LEU 13 1HB LEU 13 -0.286 3.590 -18.346 83 HB3 LEU 13 2HB LEU 13 0.581 2.065 -18.119 84 HG LEU 13 HG LEU 13 -2.295 2.531 -17.411 85 HD11 LEU 13 1HD1 LEU 13 -1.851 2.452 -19.852 86 HD12 LEU 13 2HD1 LEU 13 -2.966 1.271 -19.286 87 HD13 LEU 13 3HD1 LEU 13 -1.303 0.821 -19.637 88 HD21 LEU 13 3HD2 LEU 13 -1.524 0.915 -15.920 89 HD22 LEU 13 1HD2 LEU 13 -0.674 0.056 -17.172 90 HD23 LEU 13 2HD2 LEU 13 -2.460 0.062 -17.125 91 H TYR 14 H TYR 14 0.389 5.767 -16.177 92 HA TYR 14 HA TYR 14 3.192 5.834 -16.759 93 HB2 TYR 14 1HB TYR 14 1.489 7.727 -17.179 94 HB3 TYR 14 2HB TYR 14 1.405 7.976 -15.450 95 HD1 TYR 14 HD1 TYR 14 3.719 8.271 -18.294 96 HD2 TYR 14 HD2 TYR 14 3.166 8.899 -14.047 97 HE1 TYR 14 HE1 TYR 14 5.702 9.647 -18.278 98 HE2 TYR 14 HE2 TYR 14 4.728 10.945 -14.492 99 HH TYR 14 HH TYR 14 7.058 11.160 -15.481 100 H GLN 15 H GLN 15 1.264 5.874 -13.913 101 HA GLN 15 HA GLN 15 3.406 6.215 -12.007 102 HB2 GLN 15 1HB GLN 15 0.597 5.153 -11.680 103 HB3 GLN 15 2HB GLN 15 1.738 5.174 -10.356 104 HG2 GLN 15 1HG GLN 15 1.990 7.539 -10.491 105 HG3 GLN 15 2HG GLN 15 0.911 7.642 -11.902 106 HE21 GLN 15 2HE2 GLN 15 0.975 8.226 -8.714 107 HE22 GLN 15 1HE2 GLN 15 -0.677 7.884 -8.277 108 H LEU 16 H LEU 16 1.700 3.322 -13.309 109 HA LEU 16 HA LEU 16 3.159 1.344 -11.848 110 HB2 LEU 16 1HB LEU 16 1.926 1.316 -14.636 111 HB3 LEU 16 2HB LEU 16 2.728 -0.077 -13.939 112 HG LEU 16 HG LEU 16 0.110 1.199 -13.093 113 HD11 LEU 16 1HD1 LEU 16 -0.872 -0.810 -13.853 114 HD12 LEU 16 2HD1 LEU 16 0.665 -1.706 -13.789 115 HD13 LEU 16 3HD1 LEU 16 0.371 -0.489 -15.053 116 HD21 LEU 16 3HD2 LEU 16 -0.008 -0.574 -11.369 117 HD22 LEU 16 1HD2 LEU 16 1.234 0.656 -11.072 118 HD23 LEU 16 2HD2 LEU 16 1.703 -0.963 -11.676 119 H GLU 17 H GLU 17 4.028 3.129 -14.895 120 HA GLU 17 HA GLU 17 6.363 1.570 -15.416 121 HB2 GLU 17 1HB GLU 17 5.500 4.371 -16.135 122 HB3 GLU 17 2HB GLU 17 7.113 3.735 -16.631 123 HG2 GLU 17 1HG GLU 17 4.562 2.186 -17.291 124 HG3 GLU 17 2HG GLU 17 5.061 3.570 -18.341 125 HE2 GLU 17 HE2 GLU 17 7.256 0.372 -18.402 126 H ASN 18 H ASN 18 5.762 4.024 -12.956 127 HA ASN 18 HA ASN 18 8.557 4.844 -12.681 128 HB2 ASN 18 1HB ASN 18 6.167 5.100 -10.858 129 HB3 ASN 18 2HB ASN 18 7.763 5.493 -10.317 130 HD21 ASN 18 2HD2 ASN 18 5.276 7.043 -10.927 131 HD22 ASN 18 1HD2 ASN 18 5.877 8.372 -11.896 132 H TYR 19 H TYR 19 6.749 1.989 -11.794 133 HA TYR 19 HA TYR 19 8.586 1.353 -9.618 134 HB2 TYR 19 1HB TYR 19 6.414 -0.363 -10.880 135 HB3 TYR 19 2HB TYR 19 7.325 -0.725 -9.412 136 HD1 TYR 19 HD1 TYR 19 7.267 1.652 -7.776 137 HD2 TYR 19 HD2 TYR 19 4.288 0.194 -10.451 138 HE1 TYR 19 HE1 TYR 19 5.498 2.772 -6.423 139 HE2 TYR 19 HE2 TYR 19 2.492 1.415 -9.137 140 HH TYR 19 HH TYR 19 3.206 3.128 -6.151 141 H CYS 20 H CYS 20 8.771 1.273 -13.005 142 HA CYS 20 HA CYS 20 10.240 -1.271 -13.216 143 HB2 CYS 20 1HB CYS 20 9.980 1.184 -14.961 144 HB3 CYS 20 2HB CYS 20 10.808 -0.311 -15.510 145 H ASN 21 H ASN 21 12.562 -1.078 -14.037 146 HA ASN 21 HA ASN 21 14.369 -0.023 -12.180 147 HB2 ASN 21 1HB ASN 21 14.695 -1.572 -14.262 148 HB3 ASN 21 2HB ASN 21 15.037 -0.148 -15.156 149 HD21 ASN 21 2HD2 ASN 21 16.901 -2.164 -14.889 150 HD22 ASN 21 1HD2 ASN 21 18.207 -1.549 -13.892 151 HXT ASN 21 H02 ASN 21 13.357 1.547 -14.883 152 H1 PHE 1 1H PHE 1 -7.945 0.146 -23.479 153 H2 PHE 1 2H PHE 1 -6.882 1.354 -23.136 154 HA PHE 1 HA PHE 1 -7.077 -1.235 -21.749 155 HB2 PHE 1 1HB PHE 1 -4.797 0.106 -21.789 156 HB3 PHE 1 2HB PHE 1 -5.629 1.360 -20.875 157 HD1 PHE 1 HD1 PHE 1 -6.335 0.839 -18.508 158 HD2 PHE 1 HD2 PHE 1 -4.061 -2.011 -20.782 159 HE1 PHE 1 HE1 PHE 1 -5.712 -0.363 -16.419 160 HE2 PHE 1 HE2 PHE 1 -3.422 -3.147 -18.704 161 HZ PHE 1 HZ PHE 1 -4.239 -2.246 -16.464 162 H VAL 2 H VAL 2 -8.810 -1.466 -20.623 163 HA VAL 2 HA VAL 2 -10.305 0.866 -19.603 164 HB VAL 2 HB VAL 2 -11.045 -2.093 -19.511 165 HG11 VAL 2 1HG1 VAL 2 -13.313 -1.141 -18.849 166 HG12 VAL 2 2HG1 VAL 2 -12.077 -0.911 -17.618 167 HG13 VAL 2 3HG1 VAL 2 -12.560 0.449 -18.659 168 HG21 VAL 2 3HG2 VAL 2 -11.155 -1.125 -21.861 169 HG22 VAL 2 1HG2 VAL 2 -12.753 -1.523 -21.227 170 HG23 VAL 2 2HG2 VAL 2 -12.196 0.173 -21.266 171 H ASN 3 H ASN 3 -9.793 1.565 -17.674 172 HA ASN 3 HA ASN 3 -8.043 -0.071 -15.969 173 HB2 ASN 3 1HB ASN 3 -7.357 2.105 -17.099 174 HB3 ASN 3 2HB ASN 3 -8.474 2.948 -16.009 175 HD21 ASN 3 2HD2 ASN 3 -6.059 3.814 -15.698 176 HD22 ASN 3 1HD2 ASN 3 -5.189 3.119 -14.358 177 H GLN 4 H GLN 4 -8.570 -0.646 -14.044 178 HA GLN 4 HA GLN 4 -10.806 0.730 -12.662 179 HB2 GLN 4 1HB GLN 4 -11.337 -1.609 -13.937 180 HB3 GLN 4 2HB GLN 4 -10.624 -2.248 -12.460 181 HG2 GLN 4 1HG GLN 4 -13.053 -2.191 -12.180 182 HG3 GLN 4 2HG GLN 4 -12.319 -0.937 -11.128 183 HE21 GLN 4 2HE2 GLN 4 -14.228 -1.552 -14.076 184 HE22 GLN 4 1HE2 GLN 4 -14.931 0.060 -14.187 185 H HIS 5 H HIS 5 -10.687 -1.222 -10.456 186 HA HIS 5 HA HIS 5 -8.352 -0.099 -9.052 187 HB2 HIS 5 1HB HIS 5 -10.374 -2.078 -8.018 188 HB3 HIS 5 2HB HIS 5 -9.342 -0.989 -7.112 189 HD1 HIS 5 HD1 HIS 5 -9.865 1.752 -7.870 190 HD2 HIS 5 HD2 HIS 5 -12.892 -1.120 -8.200 191 HE1 HIS 5 HE1 HIS 5 -12.082 2.973 -8.008 192 HE2 HIS 5 H01 HIS 5 -13.881 1.240 -8.202 193 H LEU 6 H LEU 6 -6.788 -1.235 -10.387 194 HA LEU 6 HA LEU 6 -6.806 -4.053 -10.502 195 HB2 LEU 6 1HB LEU 6 -4.680 -1.944 -10.924 196 HB3 LEU 6 2HB LEU 6 -4.259 -3.637 -10.983 197 HG LEU 6 HG LEU 6 -4.378 -2.709 -13.195 198 HD11 LEU 6 1HD1 LEU 6 -6.564 -4.675 -12.593 199 HD12 LEU 6 2HD1 LEU 6 -4.876 -5.008 -13.062 200 HD13 LEU 6 3HD1 LEU 6 -6.013 -4.266 -14.232 201 HD21 LEU 6 3HD2 LEU 6 -6.175 -0.948 -12.733 202 HD22 LEU 6 1HD2 LEU 6 -7.385 -2.250 -12.879 203 HD23 LEU 6 2HD2 LEU 6 -6.341 -1.834 -14.262 204 H CYS 7 H CYS 7 -6.291 -5.497 -8.898 205 HA CYS 7 HA CYS 7 -4.610 -4.500 -6.638 206 HB2 CYS 7 1HB CYS 7 -7.135 -4.206 -6.308 207 HB3 CYS 7 2HB CYS 7 -7.253 -5.952 -6.179 208 H AIB 8 H AIB 8 -6.355 -7.390 -7.729 209 HB11 AIB 8 1HB1 AIB 8 -6.980 -9.588 -8.508 210 HB12 AIB 8 3HB1 AIB 8 -7.099 -9.874 -6.725 211 HB13 AIB 8 1HB2 AIB 8 -6.190 -10.980 -7.759 212 HB21 AIB 8 3HB2 AIB 8 -4.443 -10.643 -5.887 213 HB22 AIB 8 2HB1 AIB 8 -5.202 -9.221 -5.172 214 HB23 AIB 8 2HB2 AIB 8 -3.612 -9.147 -5.751 215 H SER 9 H SER 9 -4.511 -11.406 -8.502 216 HA SER 9 HA SER 9 -1.909 -11.075 -9.493 217 HB2 SER 9 1HB SER 9 -3.059 -13.161 -9.373 218 HB3 SER 9 2HB SER 9 -4.211 -12.697 -10.600 219 HG SER 9 HG SER 9 -2.368 -14.017 -11.331 220 H HIS 10 H HIS 10 -4.845 -9.917 -10.987 221 HA HIS 10 HA HIS 10 -3.755 -9.418 -13.603 222 HB2 HIS 10 1HB HIS 10 -6.141 -8.662 -12.077 223 HB3 HIS 10 2HB HIS 10 -5.639 -7.443 -13.275 224 HD1 HIS 10 HD1 HIS 10 -5.272 -8.435 -15.823 225 HD2 HIS 10 HD2 HIS 10 -7.627 -10.697 -13.175 226 HE1 HIS 10 HE1 HIS 10 -6.666 -10.101 -17.235 227 HE2 HIS 10 H01 HIS 10 -8.052 -11.434 -15.634 228 H LEU 11 H LEU 11 -3.429 -7.624 -10.520 229 HA LEU 11 HA LEU 11 -2.669 -5.144 -11.765 230 HB2 LEU 11 1HB LEU 11 -3.275 -5.271 -9.413 231 HB3 LEU 11 2HB LEU 11 -1.992 -6.413 -9.061 232 HG LEU 11 HG LEU 11 -0.279 -4.806 -9.452 233 HD11 LEU 11 1HD1 LEU 11 -1.330 -3.383 -11.125 234 HD12 LEU 11 2HD1 LEU 11 -0.762 -2.428 -9.709 235 HD13 LEU 11 3HD1 LEU 11 -2.512 -2.791 -9.886 236 HD21 LEU 11 3HD2 LEU 11 -1.428 -5.150 -7.277 237 HD22 LEU 11 1HD2 LEU 11 -2.356 -3.662 -7.580 238 HD23 LEU 11 2HD2 LEU 11 -0.566 -3.630 -7.455 239 H VAL 12 H VAL 12 -1.064 -8.082 -10.713 240 HA VAL 12 HA VAL 12 1.631 -7.152 -11.191 241 HB VAL 12 HB VAL 12 0.549 -10.000 -10.974 242 HG11 VAL 12 1HG1 VAL 12 3.377 -8.963 -10.772 243 HG12 VAL 12 2HG1 VAL 12 2.869 -10.619 -10.316 244 HG13 VAL 12 3HG1 VAL 12 2.738 -10.063 -12.001 245 HG21 VAL 12 3HG2 VAL 12 1.586 -8.062 -8.848 246 HG22 VAL 12 1HG2 VAL 12 0.005 -8.861 -8.893 247 HG23 VAL 12 2HG2 VAL 12 1.492 -9.808 -8.544 248 H GLU 13 H GLU 13 -0.733 -9.062 -13.043 249 HA GLU 13 HA GLU 13 0.985 -9.426 -15.372 250 HB2 GLU 13 1HB GLU 13 -1.245 -10.587 -14.888 251 HB3 GLU 13 2HB GLU 13 -2.034 -9.070 -15.342 252 HG2 GLU 13 1HG GLU 13 -0.939 -9.289 -17.589 253 HG3 GLU 13 2HG GLU 13 -0.332 -10.893 -17.071 254 HE2 GLU 13 HE2 GLU 13 -1.667 -11.068 -19.017 255 H ALA 14 H ALA 14 -1.251 -6.691 -14.426 256 HA ALA 14 HA ALA 14 -0.982 -5.335 -16.970 257 HB1 ALA 14 3HB ALA 14 -2.741 -4.881 -15.217 258 HB2 ALA 14 1HB ALA 14 -1.479 -4.031 -14.286 259 HB3 ALA 14 2HB ALA 14 -1.943 -3.435 -15.901 260 H LEU 15 H LEU 15 0.891 -5.201 -13.960 261 HA LEU 15 HA LEU 15 2.649 -3.106 -14.818 262 HB2 LEU 15 1HB LEU 15 2.344 -4.556 -12.481 263 HB3 LEU 15 2HB LEU 15 3.918 -5.073 -13.082 264 HG LEU 15 HG LEU 15 2.964 -2.241 -12.433 265 HD11 LEU 15 1HD1 LEU 15 3.394 -3.759 -10.598 266 HD12 LEU 15 2HD1 LEU 15 4.562 -2.416 -10.654 267 HD13 LEU 15 3HD1 LEU 15 5.034 -4.032 -11.194 268 HD21 LEU 15 3HD2 LEU 15 5.746 -3.068 -13.418 269 HD22 LEU 15 1HD2 LEU 15 5.270 -1.456 -12.817 270 HD23 LEU 15 2HD2 LEU 15 4.551 -2.079 -14.317 271 H TYR 16 H TYR 16 2.801 -6.664 -14.975 272 HA TYR 16 HA TYR 16 5.440 -6.666 -16.220 273 HB2 TYR 16 1HB TYR 16 4.209 -8.597 -15.159 274 HB3 TYR 16 2HB TYR 16 3.227 -8.729 -16.678 275 HD1 TYR 16 HD2 TYR 16 6.706 -8.827 -15.347 276 HD2 TYR 16 HD1 TYR 16 4.098 -9.759 -18.616 277 HE1 TYR 16 HE2 TYR 16 8.561 -10.037 -16.426 278 HE2 TYR 16 HE1 TYR 16 5.927 -10.992 -19.697 279 HH TYR 16 HH TYR 16 9.170 -11.309 -18.309 280 H LEU 17 H LEU 17 2.176 -6.539 -17.651 281 HA LEU 17 HA LEU 17 3.070 -6.746 -20.312 282 HB2 LEU 17 1HB LEU 17 0.654 -5.407 -19.065 283 HB3 LEU 17 2HB LEU 17 0.869 -5.412 -20.822 284 HG LEU 17 HG LEU 17 0.859 -7.956 -19.256 285 HD11 LEU 17 1HD1 LEU 17 -1.470 -8.266 -20.255 286 HD12 LEU 17 2HD1 LEU 17 -1.419 -6.559 -20.755 287 HD13 LEU 17 3HD1 LEU 17 -1.353 -6.997 -19.052 288 HD21 LEU 17 3HD2 LEU 17 0.571 -7.465 -22.258 289 HD22 LEU 17 1HD2 LEU 17 0.496 -9.032 -21.457 290 HD23 LEU 17 2HD2 LEU 17 1.994 -8.115 -21.432 291 H VAL 18 H VAL 18 2.578 -3.785 -18.266 292 HA VAL 18 HA VAL 18 3.368 -2.090 -20.509 293 HB VAL 18 HB VAL 18 1.742 -1.532 -18.663 294 HG11 VAL 18 1HG1 VAL 18 4.198 -0.923 -16.978 295 HG12 VAL 18 2HG1 VAL 18 2.509 -0.620 -16.556 296 HG13 VAL 18 3HG1 VAL 18 3.056 -2.279 -16.741 297 HG21 VAL 18 3HG2 VAL 18 4.009 0.476 -19.191 298 HG22 VAL 18 1HG2 VAL 18 2.578 0.199 -20.215 299 HG23 VAL 18 2HG2 VAL 18 2.412 0.900 -18.604 300 H CYS 19 H CYS 19 5.140 -3.619 -17.842 301 HA CYS 19 HA CYS 19 7.359 -1.719 -18.046 302 HB2 CYS 19 1HB CYS 19 6.577 -3.031 -15.881 303 HB3 CYS 19 2HB CYS 19 7.501 -4.373 -16.526 304 H GLY 20 H GLY 20 6.245 -4.747 -19.322 305 HA2 GLY 20 1HA GLY 20 7.130 -5.918 -21.165 306 HA3 GLY 20 2HA GLY 20 8.572 -4.905 -21.123 307 H GLU 21 H GLU 21 9.324 -7.183 -21.592 308 HA GLU 21 HA GLU 21 9.397 -9.088 -19.455 309 HB2 GLU 21 1HB GLU 21 11.194 -8.776 -21.845 310 HB3 GLU 21 2HB GLU 21 11.177 -10.160 -20.779 311 HG2 GLU 21 1HG GLU 21 8.808 -10.621 -21.431 312 HG3 GLU 21 2HG GLU 21 8.886 -9.239 -22.565 313 HE2 GLU 21 HE2 GLU 21 9.810 -12.655 -23.979 314 H ARG 22 H ARG 22 10.859 -6.106 -19.767 315 HA ARG 22 HA ARG 22 13.513 -6.530 -18.869 316 HB2 ARG 22 1HB ARG 22 11.912 -4.064 -18.186 317 HB3 ARG 22 2HB ARG 22 13.636 -4.174 -18.514 318 HG2 ARG 22 1HG ARG 22 11.411 -4.574 -20.567 319 HG3 ARG 22 2HG ARG 22 12.343 -3.111 -20.400 320 HD2 ARG 22 1HD ARG 22 13.504 -5.826 -21.101 321 HD3 ARG 22 2HD ARG 22 13.139 -4.530 -22.300 322 HE ARG 22 HE ARG 22 15.353 -4.542 -20.377 323 HH11 ARG 22 1HH1 ARG 22 13.460 -2.717 -22.716 324 HH12 ARG 22 2HH1 ARG 22 14.677 -1.494 -22.920 325 HH21 ARG 22 1HH2 ARG 22 16.890 -2.979 -20.631 326 HH22 ARG 22 2HH2 ARG 22 16.651 -1.658 -21.707 327 H GLY 23 H GLY 23 10.450 -6.129 -17.179 328 HA2 GLY 23 1HA GLY 23 9.951 -7.129 -15.172 329 HA3 GLY 23 2HA GLY 23 11.659 -7.343 -14.750 330 H PHE 24 H PHE 24 9.663 -6.393 -12.888 331 HA PHE 24 HA PHE 24 10.583 -3.530 -12.523 332 HB2 PHE 24 1HB PHE 24 8.255 -3.084 -11.685 333 HB3 PHE 24 2HB PHE 24 8.353 -3.562 -13.368 334 HD1 PHE 24 HD1 PHE 24 7.598 -4.887 -9.981 335 HD2 PHE 24 HD2 PHE 24 7.160 -5.496 -14.223 336 HE1 PHE 24 HE1 PHE 24 6.094 -6.824 -9.606 337 HE2 PHE 24 HE2 PHE 24 5.591 -7.412 -13.777 338 HZ PHE 24 HZ PHE 24 5.185 -8.121 -11.486 339 H PHE 25 H PHE 25 10.898 -6.531 -11.468 340 HA PHE 25 HA PHE 25 10.217 -6.206 -8.646 341 HB2 PHE 25 1HB PHE 25 10.799 -8.650 -8.604 342 HB3 PHE 25 2HB PHE 25 9.541 -8.258 -9.811 343 HD1 PHE 25 HD2 PHE 25 13.101 -9.101 -9.200 344 HD2 PHE 25 HD1 PHE 25 10.036 -8.617 -12.204 345 HE1 PHE 25 HE2 PHE 25 14.573 -10.168 -10.874 346 HE2 PHE 25 HE1 PHE 25 11.518 -9.742 -13.908 347 HZ PHE 25 HZ PHE 25 13.786 -10.463 -13.226 348 H TYR 26 H TYR 26 11.819 -7.001 -7.056 349 HA TYR 26 HA TYR 26 14.605 -6.130 -7.734 350 HB2 TYR 26 1HB TYR 26 13.081 -6.110 -5.103 351 HB3 TYR 26 2HB TYR 26 14.811 -5.734 -5.229 352 HD1 TYR 26 HD2 TYR 26 15.532 -3.669 -6.457 353 HD2 TYR 26 HD1 TYR 26 11.333 -4.464 -5.863 354 HE1 TYR 26 HE2 TYR 26 14.936 -1.261 -7.044 355 HE2 TYR 26 HE1 TYR 26 10.812 -2.147 -6.368 356 HH TYR 26 HH TYR 26 13.280 0.269 -7.294 357 H THR 27 H THR 27 16.252 -7.418 -7.282 358 HA THR 27 HA THR 27 17.492 -9.206 -6.832 359 HB THR 27 HB THR 27 17.162 -10.571 -4.826 360 HG1 THR 27 HG1 THR 27 14.498 -9.933 -5.229 361 HG21 THR 27 1HG2 THR 27 17.272 -8.952 -3.176 362 HG22 THR 27 2HG2 THR 27 16.132 -7.890 -3.981 363 HG23 THR 27 3HG2 THR 27 17.794 -8.098 -4.646 364 H LYS 28 H LYS 28 18.017 -11.068 -7.656 365 HA LYS 28 HA LYS 28 15.722 -12.828 -8.594 366 HB2 LYS 28 1HB LYS 28 18.524 -12.348 -9.776 367 HB3 LYS 28 2HB LYS 28 17.413 -13.562 -10.396 368 HG2 LYS 28 1HG LYS 28 15.878 -11.805 -10.999 369 HG3 LYS 28 2HG LYS 28 16.995 -10.592 -10.341 370 HD2 LYS 28 1HD LYS 28 18.692 -11.462 -11.992 371 HD3 LYS 28 2HD LYS 28 17.412 -12.497 -12.674 372 HE2 LYS 28 1HE LYS 28 16.036 -10.557 -13.193 373 HE3 LYS 28 2HE LYS 28 17.207 -9.472 -12.430 374 HZ1 LYS 28 3HZ LYS 28 18.838 -10.093 -14.160 375 HZ2 LYS 28 1HZ LYS 28 17.528 -9.329 -14.771 376 HZ3 LYS 28 2HZ LYS 28 17.715 -10.962 -14.922 377 HA PRO 29 HA PRO 29 18.030 -15.824 -6.182 378 HB2 PRO 29 1HB PRO 29 17.322 -18.211 -7.327 379 HB3 PRO 29 2HB PRO 29 16.165 -17.235 -6.418 380 HG2 PRO 29 1HG PRO 29 16.570 -17.344 -9.368 381 HG3 PRO 29 2HG PRO 29 15.039 -17.413 -8.451 382 HD2 PRO 29 1HD PRO 29 15.892 -15.150 -9.622 383 HD3 PRO 29 2HD PRO 29 15.015 -15.127 -8.047 384 H THR 30 H THR 30 20.249 -15.500 -6.506 385 HA THR 30 HA THR 30 21.447 -16.728 -8.970 386 HB THR 30 HB THR 30 21.283 -14.356 -9.396 387 HG1 THR 30 HG1 THR 30 23.169 -15.521 -10.027 388 HG21 THR 30 1HG2 THR 30 22.436 -12.691 -8.157 389 HG22 THR 30 2HG2 THR 30 23.103 -13.788 -6.994 390 HG23 THR 30 3HG2 THR 30 21.331 -13.428 -7.053 391 HXT THR 30 H02 THR 30 22.516 -15.471 -5.944 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 1.933 2.501 -1.445 2 H2 GLY 1 2H GLY 1 3.349 3.047 -1.968 3 HA2 GLY 1 1HA GLY 1 4.145 0.892 -2.615 4 HA3 GLY 1 2HA GLY 1 2.822 0.104 -1.651 5 H ILE 2 H ILE 2 3.544 -0.441 -4.296 6 HA ILE 2 HA ILE 2 1.929 0.749 -6.358 7 HB ILE 2 HB ILE 2 2.515 -2.207 -6.312 8 HG12 ILE 2 1HG1 ILE 2 4.539 -0.050 -6.990 9 HG13 ILE 2 2HG1 ILE 2 4.607 -1.055 -5.542 10 HG21 ILE 2 1HG2 ILE 2 2.696 -1.909 -8.750 11 HG22 ILE 2 2HG2 ILE 2 1.168 -1.205 -8.198 12 HG23 ILE 2 3HG2 ILE 2 2.535 -0.171 -8.603 13 HD11 ILE 2 3HD1 ILE 2 4.869 -3.108 -6.933 14 HD12 ILE 2 1HD1 ILE 2 4.828 -2.116 -8.410 15 HD13 ILE 2 2HD1 ILE 2 6.159 -1.910 -7.252 16 H VAL 3 H VAL 3 1.187 -2.117 -4.253 17 HA VAL 3 HA VAL 3 -1.421 -2.457 -5.401 18 HB VAL 3 HB VAL 3 0.066 -4.170 -4.141 19 HG11 VAL 3 1HG1 VAL 3 -1.392 -2.937 -1.689 20 HG12 VAL 3 2HG1 VAL 3 -0.470 -4.469 -1.677 21 HG13 VAL 3 3HG1 VAL 3 0.360 -2.918 -1.941 22 HG21 VAL 3 3HG2 VAL 3 -1.872 -5.518 -3.755 23 HG22 VAL 3 1HG2 VAL 3 -2.835 -4.152 -3.273 24 HG23 VAL 3 2HG2 VAL 3 -2.428 -4.387 -4.965 25 H GLU 4 H GLU 4 -0.232 -0.555 -2.718 26 HA GLU 4 HA GLU 4 -2.790 -0.166 -1.473 27 HB2 GLU 4 1HB GLU 4 -0.437 0.371 -0.517 28 HB3 GLU 4 2HB GLU 4 -0.437 1.773 -1.588 29 HG2 GLU 4 1HG GLU 4 -2.559 1.281 0.492 30 HG3 GLU 4 2HG GLU 4 -1.115 2.207 0.822 31 HE2 GLU 4 HE2 GLU 4 -3.907 2.592 0.486 32 H GLN 5 H GLN 5 -0.824 1.720 -3.876 33 HA GLN 5 HA GLN 5 -2.856 3.670 -4.367 34 HB2 GLN 5 1HB GLN 5 -0.568 2.615 -6.018 35 HB3 GLN 5 2HB GLN 5 -1.550 4.046 -6.467 36 HG2 GLN 5 1HG GLN 5 -0.679 5.289 -4.555 37 HG3 GLN 5 2HG GLN 5 -0.039 3.829 -3.765 38 HE21 GLN 5 2HE2 GLN 5 1.912 5.139 -3.596 39 HE22 GLN 5 1HE2 GLN 5 3.001 5.130 -4.915 40 H CYS 6 H CYS 6 -2.173 0.570 -6.064 41 HA CYS 6 HA CYS 6 -4.150 1.225 -8.084 42 HB2 CYS 6 1HB CYS 6 -2.638 -1.327 -7.440 43 HB3 CYS 6 2HB CYS 6 -3.747 -1.127 -8.810 44 H CYS 7 H CYS 7 -4.473 -0.179 -4.917 45 HA CYS 7 HA CYS 7 -7.080 -1.363 -5.678 46 HB2 CYS 7 1HB CYS 7 -5.511 -1.563 -3.113 47 HB3 CYS 7 2HB CYS 7 -7.130 -2.276 -3.348 48 H THR 8 H THR 8 -5.804 1.321 -3.634 49 HA THR 8 HA THR 8 -8.387 2.029 -2.649 50 HB THR 8 HB THR 8 -6.129 2.586 -1.503 51 HG1 THR 8 HG1 THR 8 -7.097 4.861 -1.107 52 HG21 THR 8 1HG2 THR 8 -5.104 3.693 -3.554 53 HG22 THR 8 2HG2 THR 8 -5.054 4.660 -2.098 54 HG23 THR 8 3HG2 THR 8 -6.270 4.999 -3.341 55 H SER 9 H SER 9 -6.627 2.678 -5.611 56 HA SER 9 HA SER 9 -8.857 4.370 -6.610 57 HB2 SER 9 1HB SER 9 -7.350 6.220 -7.341 58 HB3 SER 9 2HB SER 9 -7.291 5.988 -5.562 59 HG SER 9 HG SER 9 -5.352 4.424 -6.358 60 H ILE 10 H ILE 10 -8.628 4.774 -8.980 61 HA ILE 10 HA ILE 10 -7.554 2.391 -10.235 62 HB ILE 10 HB ILE 10 -8.572 4.904 -11.727 63 HG12 ILE 10 1HG1 ILE 10 -10.318 4.200 -10.089 64 HG13 ILE 10 2HG1 ILE 10 -10.843 3.818 -11.680 65 HG21 ILE 10 1HG2 ILE 10 -8.524 1.933 -12.595 66 HG22 ILE 10 2HG2 ILE 10 -9.049 3.323 -13.583 67 HG23 ILE 10 3HG2 ILE 10 -7.347 3.166 -13.101 68 HD11 ILE 10 3HD1 ILE 10 -9.737 1.891 -9.555 69 HD12 ILE 10 1HD1 ILE 10 -11.403 1.956 -10.219 70 HD13 ILE 10 2HD1 ILE 10 -10.076 1.434 -11.245 71 H CYS 11 H CYS 11 -5.313 2.362 -9.991 72 HA CYS 11 HA CYS 11 -3.659 4.679 -10.338 73 HB2 CYS 11 1HB CYS 11 -1.792 3.170 -10.235 74 HB3 CYS 11 2HB CYS 11 -2.994 2.798 -9.001 75 H SER 12 H SER 12 -2.158 5.239 -11.946 76 HA SER 12 HA SER 12 -3.276 4.643 -14.615 77 HB2 SER 12 1HB SER 12 -1.192 6.601 -13.619 78 HB3 SER 12 2HB SER 12 -1.789 6.512 -15.275 79 HG SER 12 HG SER 12 -3.979 6.878 -14.110 80 H LEU 13 H LEU 13 -2.144 3.809 -16.345 81 HA LEU 13 HA LEU 13 -0.115 1.954 -15.883 82 HB2 LEU 13 1HB LEU 13 -0.576 3.369 -18.484 83 HB3 LEU 13 2HB LEU 13 0.355 1.870 -18.208 84 HG LEU 13 HG LEU 13 -2.647 2.172 -17.527 85 HD11 LEU 13 1HD1 LEU 13 -2.417 2.437 -19.907 86 HD12 LEU 13 2HD1 LEU 13 -2.858 0.757 -19.637 87 HD13 LEU 13 3HD1 LEU 13 -1.197 1.177 -20.030 88 HD21 LEU 13 3HD2 LEU 13 -1.513 0.329 -16.259 89 HD22 LEU 13 1HD2 LEU 13 -0.750 -0.302 -17.726 90 HD23 LEU 13 2HD2 LEU 13 -2.515 -0.372 -17.498 91 H TYR 14 H TYR 14 0.264 5.381 -16.764 92 HA TYR 14 HA TYR 14 3.168 5.294 -16.904 93 HB2 TYR 14 1HB TYR 14 1.607 7.264 -17.496 94 HB3 TYR 14 2HB TYR 14 1.622 7.647 -15.764 95 HD1 TYR 14 HD2 TYR 14 3.724 7.296 -18.750 96 HD2 TYR 14 HD1 TYR 14 3.527 8.683 -14.739 97 HE1 TYR 14 HE2 TYR 14 6.304 7.882 -18.454 98 HE2 TYR 14 HE1 TYR 14 5.648 9.867 -14.894 99 HH TYR 14 HH TYR 14 7.086 10.805 -16.507 100 H GLN 15 H GLN 15 1.000 5.481 -14.055 101 HA GLN 15 HA GLN 15 3.229 6.024 -12.236 102 HB2 GLN 15 1HB GLN 15 0.466 4.883 -11.760 103 HB3 GLN 15 2HB GLN 15 1.613 5.217 -10.464 104 HG2 GLN 15 1HG GLN 15 1.680 7.556 -10.980 105 HG3 GLN 15 2HG GLN 15 0.613 7.379 -12.357 106 HE21 GLN 15 2HE2 GLN 15 0.590 8.471 -9.286 107 HE22 GLN 15 1HE2 GLN 15 -1.093 8.126 -8.886 108 H LEU 16 H LEU 16 1.645 3.101 -13.404 109 HA LEU 16 HA LEU 16 3.093 1.240 -11.737 110 HB2 LEU 16 1HB LEU 16 1.765 1.075 -14.417 111 HB3 LEU 16 2HB LEU 16 2.747 -0.251 -13.873 112 HG LEU 16 HG LEU 16 0.889 0.519 -11.785 113 HD11 LEU 16 1HD1 LEU 16 -1.117 -0.165 -12.791 114 HD12 LEU 16 2HD1 LEU 16 -0.307 -0.505 -14.364 115 HD13 LEU 16 3HD1 LEU 16 -0.448 1.189 -13.744 116 HD21 LEU 16 3HD2 LEU 16 1.447 -2.060 -13.430 117 HD22 LEU 16 1HD2 LEU 16 0.350 -1.986 -12.013 118 HD23 LEU 16 2HD2 LEU 16 2.085 -1.648 -11.838 119 H GLU 17 H GLU 17 3.957 2.816 -14.820 120 HA GLU 17 HA GLU 17 6.341 1.415 -15.279 121 HB2 GLU 17 1HB GLU 17 5.429 4.158 -16.090 122 HB3 GLU 17 2HB GLU 17 7.049 3.602 -16.475 123 HG2 GLU 17 1HG GLU 17 6.210 1.875 -17.797 124 HG3 GLU 17 2HG GLU 17 4.566 2.068 -17.184 125 HE2 GLU 17 HE2 GLU 17 6.875 3.408 -19.221 126 H ASN 18 H ASN 18 5.695 3.760 -12.801 127 HA ASN 18 HA ASN 18 8.436 4.658 -12.605 128 HB2 ASN 18 1HB ASN 18 6.293 4.502 -10.476 129 HB3 ASN 18 2HB ASN 18 7.838 5.376 -10.337 130 HD21 ASN 18 2HD2 ASN 18 5.281 6.534 -9.973 131 HD22 ASN 18 1HD2 ASN 18 5.013 7.683 -11.273 132 H TYR 19 H TYR 19 6.817 1.717 -11.853 133 HA TYR 19 HA TYR 19 8.943 0.814 -9.891 134 HB2 TYR 19 1HB TYR 19 6.252 -0.433 -10.584 135 HB3 TYR 19 2HB TYR 19 7.319 -0.866 -9.254 136 HD1 TYR 19 HD2 TYR 19 7.825 1.339 -7.575 137 HD2 TYR 19 HD1 TYR 19 4.361 0.862 -10.141 138 HE1 TYR 19 HE2 TYR 19 6.630 2.950 -6.180 139 HE2 TYR 19 HE1 TYR 19 3.102 2.461 -8.679 140 HH TYR 19 HH TYR 19 3.202 3.935 -6.911 141 H CYS 20 H CYS 20 8.789 1.150 -12.959 142 HA CYS 20 HA CYS 20 9.664 -1.667 -13.627 143 HB2 CYS 20 1HB CYS 20 7.345 -0.275 -14.610 144 HB3 CYS 20 2HB CYS 20 8.510 -0.405 -15.940 145 H ASN 21 H ASN 21 10.811 -1.172 -16.098 146 HA ASN 21 HA ASN 21 13.005 0.683 -15.370 147 HB2 ASN 21 1HB ASN 21 13.181 -1.438 -16.933 148 HB3 ASN 21 2HB ASN 21 12.398 -0.543 -18.190 149 HD21 ASN 21 2HD2 ASN 21 15.388 -1.155 -16.617 150 HD22 ASN 21 1HD2 ASN 21 16.293 0.108 -17.371 151 HXT ASN 21 H02 ASN 21 12.242 3.500 -16.962 152 H1 PHE 1 1H PHE 1 -5.416 -4.000 -23.444 153 H2 PHE 1 2H PHE 1 -6.020 -2.501 -23.183 154 HA PHE 1 HA PHE 1 -6.477 -4.863 -21.458 155 HB2 PHE 1 1HB PHE 1 -4.071 -4.083 -21.632 156 HB3 PHE 1 2HB PHE 1 -4.486 -2.572 -20.970 157 HD1 PHE 1 HD1 PHE 1 -4.728 -6.242 -20.181 158 HD2 PHE 1 HD2 PHE 1 -4.331 -2.241 -18.684 159 HE1 PHE 1 HE1 PHE 1 -4.408 -7.155 -17.903 160 HE2 PHE 1 HE2 PHE 1 -3.931 -3.119 -16.396 161 HZ PHE 1 HZ PHE 1 -4.016 -5.582 -16.015 162 H VAL 2 H VAL 2 -7.656 -4.763 -19.866 163 HA VAL 2 HA VAL 2 -9.308 -2.362 -19.487 164 HB VAL 2 HB VAL 2 -9.237 -5.010 -18.016 165 HG11 VAL 2 1HG1 VAL 2 -10.262 -3.249 -16.601 166 HG12 VAL 2 2HG1 VAL 2 -11.375 -2.856 -18.000 167 HG13 VAL 2 3HG1 VAL 2 -11.455 -4.464 -17.192 168 HG21 VAL 2 3HG2 VAL 2 -9.869 -5.446 -20.335 169 HG22 VAL 2 1HG2 VAL 2 -11.391 -5.382 -19.427 170 HG23 VAL 2 2HG2 VAL 2 -10.874 -3.967 -20.395 171 H ASN 3 H ASN 3 -9.109 -0.784 -17.987 172 HA ASN 3 HA ASN 3 -7.158 -1.257 -15.765 173 HB2 ASN 3 1HB ASN 3 -6.853 1.168 -15.731 174 HB3 ASN 3 2HB ASN 3 -6.525 0.535 -17.345 175 HD21 ASN 3 2HD2 ASN 3 -7.896 2.922 -15.701 176 HD22 ASN 3 1HD2 ASN 3 -9.134 3.416 -16.828 177 H GLN 4 H GLN 4 -7.912 -1.376 -13.809 178 HA GLN 4 HA GLN 4 -10.443 -0.197 -12.956 179 HB2 GLN 4 1HB GLN 4 -10.288 -2.860 -13.972 180 HB3 GLN 4 2HB GLN 4 -10.581 -3.004 -12.273 181 HG2 GLN 4 1HG GLN 4 -12.571 -1.738 -12.380 182 HG3 GLN 4 2HG GLN 4 -12.243 -1.184 -14.019 183 HE21 GLN 4 2HE2 GLN 4 -13.342 -2.054 -15.582 184 HE22 GLN 4 1HE2 GLN 4 -13.971 -3.678 -15.546 185 H HIS 5 H HIS 5 -10.463 -1.970 -10.626 186 HA HIS 5 HA HIS 5 -8.265 -0.815 -9.026 187 HB2 HIS 5 1HB HIS 5 -10.419 -2.908 -8.301 188 HB3 HIS 5 2HB HIS 5 -9.218 -2.242 -7.161 189 HD1 HIS 5 HD1 HIS 5 -9.428 0.246 -6.403 190 HD2 HIS 5 HD2 HIS 5 -12.583 -1.094 -8.815 191 HE1 HIS 5 HE1 HIS 5 -11.351 2.005 -6.214 192 HE2 HIS 5 H01 HIS 5 -13.204 1.104 -7.646 193 H LEU 6 H LEU 6 -6.360 -1.581 -9.898 194 HA LEU 6 HA LEU 6 -6.150 -4.368 -10.750 195 HB2 LEU 6 1HB LEU 6 -4.050 -2.152 -10.638 196 HB3 LEU 6 2HB LEU 6 -3.828 -3.743 -11.325 197 HG LEU 6 HG LEU 6 -5.885 -1.785 -12.319 198 HD11 LEU 6 1HD1 LEU 6 -3.131 -2.299 -13.379 199 HD12 LEU 6 2HD1 LEU 6 -3.659 -0.860 -12.521 200 HD13 LEU 6 3HD1 LEU 6 -4.392 -1.273 -14.080 201 HD21 LEU 6 3HD2 LEU 6 -4.734 -4.322 -13.557 202 HD22 LEU 6 1HD2 LEU 6 -5.829 -3.173 -14.376 203 HD23 LEU 6 2HD2 LEU 6 -6.387 -4.083 -12.953 204 H CYS 7 H CYS 7 -6.606 -5.349 -8.733 205 HA CYS 7 HA CYS 7 -4.331 -5.244 -6.772 206 HB2 CYS 7 1HB CYS 7 -7.168 -6.470 -6.549 207 HB3 CYS 7 2HB CYS 7 -5.907 -6.380 -5.296 208 H AIB 8 H AIB 8 -3.506 -7.242 -6.021 209 HB11 AIB 8 1HB1 AIB 8 -4.626 -9.845 -5.387 210 HB12 AIB 8 3HB1 AIB 8 -3.935 -11.212 -6.227 211 HB13 AIB 8 1HB2 AIB 8 -5.224 -10.195 -6.939 212 HB21 AIB 8 3HB2 AIB 8 -1.171 -8.791 -6.344 213 HB22 AIB 8 2HB1 AIB 8 -1.625 -10.420 -5.957 214 HB23 AIB 8 2HB2 AIB 8 -2.163 -9.040 -4.987 215 H SER 9 H SER 9 -4.174 -11.130 -8.428 216 HA SER 9 HA SER 9 -2.221 -11.554 -10.385 217 HB2 SER 9 1HB SER 9 -4.281 -12.996 -10.138 218 HB3 SER 9 2HB SER 9 -5.233 -11.607 -10.766 219 HG SER 9 HG SER 9 -4.758 -13.133 -12.409 220 H HIS 10 H HIS 10 -4.811 -9.096 -10.388 221 HA HIS 10 HA HIS 10 -4.357 -8.240 -13.113 222 HB2 HIS 10 1HB HIS 10 -5.534 -6.613 -10.782 223 HB3 HIS 10 2HB HIS 10 -5.672 -6.255 -12.528 224 HD1 HIS 10 HD1 HIS 10 -7.064 -8.397 -13.849 225 HD2 HIS 10 HD2 HIS 10 -7.553 -7.988 -9.751 226 HE1 HIS 10 HE1 HIS 10 -9.069 -9.734 -13.246 227 HE2 HIS 10 H01 HIS 10 -9.476 -9.425 -10.803 228 H LEU 11 H LEU 11 -2.939 -7.222 -10.014 229 HA LEU 11 HA LEU 11 -1.702 -4.816 -11.031 230 HB2 LEU 11 1HB LEU 11 -2.007 -5.590 -8.591 231 HB3 LEU 11 2HB LEU 11 -0.657 -6.676 -8.880 232 HG LEU 11 HG LEU 11 -0.170 -3.812 -9.540 233 HD11 LEU 11 1HD1 LEU 11 -0.022 -3.251 -7.134 234 HD12 LEU 11 2HD1 LEU 11 -0.716 -4.847 -6.739 235 HD13 LEU 11 3HD1 LEU 11 -1.656 -3.653 -7.608 236 HD21 LEU 11 3HD2 LEU 11 1.775 -5.182 -9.574 237 HD22 LEU 11 1HD2 LEU 11 1.300 -6.042 -8.076 238 HD23 LEU 11 2HD2 LEU 11 1.858 -4.384 -8.026 239 H VAL 12 H VAL 12 -0.732 -8.209 -10.637 240 HA VAL 12 HA VAL 12 1.951 -7.918 -11.519 241 HB VAL 12 HB VAL 12 0.070 -10.342 -11.560 242 HG11 VAL 12 1HG1 VAL 12 2.002 -10.640 -13.211 243 HG12 VAL 12 2HG1 VAL 12 3.119 -10.417 -11.875 244 HG13 VAL 12 3HG1 VAL 12 2.043 -11.822 -11.852 245 HG21 VAL 12 3HG2 VAL 12 0.567 -9.533 -9.282 246 HG22 VAL 12 1HG2 VAL 12 1.510 -11.010 -9.571 247 HG23 VAL 12 2HG2 VAL 12 2.301 -9.439 -9.681 248 H GLU 13 H GLU 13 -1.033 -8.881 -13.274 249 HA GLU 13 HA GLU 13 0.283 -9.234 -15.752 250 HB2 GLU 13 1HB GLU 13 -2.109 -9.902 -15.108 251 HB3 GLU 13 2HB GLU 13 -2.594 -8.229 -15.313 252 HG2 GLU 13 1HG GLU 13 -1.940 -8.363 -17.672 253 HG3 GLU 13 2HG GLU 13 -1.349 -9.992 -17.428 254 HE2 GLU 13 HE2 GLU 13 -4.635 -10.258 -18.771 255 H ALA 14 H ALA 14 -1.077 -6.243 -14.260 256 HA ALA 14 HA ALA 14 -0.685 -4.599 -16.530 257 HB1 ALA 14 3HB ALA 14 -0.818 -2.679 -14.975 258 HB2 ALA 14 1HB ALA 14 -2.069 -3.911 -14.604 259 HB3 ALA 14 2HB ALA 14 -0.611 -3.784 -13.590 260 H LEU 15 H LEU 15 1.510 -5.293 -13.743 261 HA LEU 15 HA LEU 15 3.591 -3.510 -14.472 262 HB2 LEU 15 1HB LEU 15 3.310 -6.030 -12.889 263 HB3 LEU 15 2HB LEU 15 4.938 -5.558 -13.381 264 HG LEU 15 HG LEU 15 3.052 -3.851 -11.708 265 HD11 LEU 15 1HD1 LEU 15 3.903 -5.813 -10.459 266 HD12 LEU 15 2HD1 LEU 15 4.765 -4.379 -9.907 267 HD13 LEU 15 3HD1 LEU 15 5.564 -5.512 -11.022 268 HD21 LEU 15 3HD2 LEU 15 5.030 -2.459 -11.317 269 HD22 LEU 15 1HD2 LEU 15 4.639 -2.446 -13.030 270 HD23 LEU 15 2HD2 LEU 15 5.998 -3.432 -12.443 271 H TYR 16 H TYR 16 3.031 -6.927 -15.370 272 HA TYR 16 HA TYR 16 5.353 -7.207 -16.965 273 HB2 TYR 16 1HB TYR 16 3.948 -9.012 -16.054 274 HB3 TYR 16 2HB TYR 16 2.681 -8.605 -17.203 275 HD1 TYR 16 HD2 TYR 16 6.257 -9.766 -16.945 276 HD2 TYR 16 HD1 TYR 16 2.734 -9.515 -19.429 277 HE1 TYR 16 HE2 TYR 16 7.341 -11.360 -18.603 278 HE2 TYR 16 HE1 TYR 16 3.921 -11.015 -21.082 279 HH TYR 16 HH TYR 16 7.150 -12.209 -20.721 280 H LEU 17 H LEU 17 2.042 -6.088 -17.882 281 HA LEU 17 HA LEU 17 2.761 -5.966 -20.662 282 HB2 LEU 17 1HB LEU 17 0.563 -4.613 -19.097 283 HB3 LEU 17 2HB LEU 17 0.684 -4.536 -20.848 284 HG LEU 17 HG LEU 17 0.362 -7.124 -19.205 285 HD11 LEU 17 1HD1 LEU 17 -1.892 -7.117 -20.386 286 HD12 LEU 17 2HD1 LEU 17 -1.616 -5.409 -20.728 287 HD13 LEU 17 3HD1 LEU 17 -1.658 -5.959 -19.044 288 HD21 LEU 17 3HD2 LEU 17 -0.222 -7.980 -21.550 289 HD22 LEU 17 1HD2 LEU 17 1.460 -7.776 -21.151 290 HD23 LEU 17 2HD2 LEU 17 0.653 -6.593 -22.144 291 H VAL 18 H VAL 18 3.019 -3.522 -18.010 292 HA VAL 18 HA VAL 18 3.581 -1.458 -20.010 293 HB VAL 18 HB VAL 18 4.144 0.081 -18.221 294 HG11 VAL 18 1HG1 VAL 18 1.827 -0.028 -18.521 295 HG12 VAL 18 2HG1 VAL 18 1.711 -1.663 -17.833 296 HG13 VAL 18 3HG1 VAL 18 1.989 -0.278 -16.747 297 HG21 VAL 18 3HG2 VAL 18 3.865 -2.181 -16.221 298 HG22 VAL 18 1HG2 VAL 18 5.432 -1.516 -16.753 299 HG23 VAL 18 2HG2 VAL 18 4.290 -0.492 -15.877 300 H CYS 19 H CYS 19 5.579 -3.767 -18.119 301 HA CYS 19 HA CYS 19 8.027 -2.331 -18.882 302 HB2 CYS 19 1HB CYS 19 7.252 -4.685 -17.325 303 HB3 CYS 19 2HB CYS 19 8.730 -4.937 -18.251 304 H GLY 20 H GLY 20 6.181 -5.144 -19.993 305 HA2 GLY 20 1HA GLY 20 6.300 -5.591 -22.499 306 HA3 GLY 20 2HA GLY 20 8.049 -5.365 -22.314 307 H GLU 21 H GLU 21 7.485 -7.574 -23.519 308 HA GLU 21 HA GLU 21 6.787 -9.767 -21.821 309 HB2 GLU 21 1HB GLU 21 8.240 -9.678 -24.502 310 HB3 GLU 21 2HB GLU 21 7.632 -11.151 -23.718 311 HG2 GLU 21 1HG GLU 21 5.306 -10.281 -23.870 312 HG3 GLU 21 2HG GLU 21 5.926 -8.804 -24.589 313 HE2 GLU 21 HE2 GLU 21 5.291 -11.984 -24.965 314 H ARG 22 H ARG 22 9.628 -7.923 -22.041 315 HA ARG 22 HA ARG 22 11.539 -10.000 -21.420 316 HB2 ARG 22 1HB ARG 22 13.087 -8.187 -20.986 317 HB3 ARG 22 2HB ARG 22 12.233 -7.922 -22.507 318 HG2 ARG 22 1HG ARG 22 11.494 -5.960 -21.915 319 HG3 ARG 22 2HG ARG 22 10.887 -6.521 -20.353 320 HD2 ARG 22 1HD ARG 22 12.874 -6.113 -19.271 321 HD3 ARG 22 2HD ARG 22 13.826 -6.322 -20.748 322 HE ARG 22 HE ARG 22 12.043 -4.062 -20.921 323 HH11 ARG 22 1HH1 ARG 22 15.122 -5.040 -19.505 324 HH12 ARG 22 2HH1 ARG 22 15.827 -3.454 -19.613 325 HH21 ARG 22 1HH2 ARG 22 12.989 -1.996 -21.061 326 HH22 ARG 22 2HH2 ARG 22 14.617 -1.712 -20.498 327 H GLY 23 H GLY 23 9.088 -8.478 -19.569 328 HA2 GLY 23 1HA GLY 23 8.484 -9.056 -17.426 329 HA3 GLY 23 2HA GLY 23 10.055 -9.799 -17.181 330 H PHE 24 H PHE 24 9.181 -8.508 -15.165 331 HA PHE 24 HA PHE 24 10.469 -5.813 -15.086 332 HB2 PHE 24 1HB PHE 24 8.780 -5.146 -13.456 333 HB3 PHE 24 2HB PHE 24 8.029 -5.548 -15.004 334 HD1 PHE 24 HD2 PHE 24 8.510 -6.713 -11.445 335 HD2 PHE 24 HD1 PHE 24 6.446 -7.398 -15.161 336 HE1 PHE 24 HE2 PHE 24 6.905 -8.145 -10.318 337 HE2 PHE 24 HE1 PHE 24 4.850 -8.936 -14.029 338 HZ PHE 24 HZ PHE 24 5.110 -9.356 -11.575 339 H PHE 25 H PHE 25 10.833 -5.240 -12.629 340 HA PHE 25 HA PHE 25 12.062 -7.576 -11.239 341 HB2 PHE 25 1HB PHE 25 13.687 -5.920 -10.337 342 HB3 PHE 25 2HB PHE 25 13.800 -6.136 -12.110 343 HD1 PHE 25 HD2 PHE 25 12.854 -3.835 -9.349 344 HD2 PHE 25 HD1 PHE 25 13.214 -4.303 -13.638 345 HE1 PHE 25 HE2 PHE 25 12.534 -1.387 -9.640 346 HE2 PHE 25 HE1 PHE 25 12.903 -1.872 -13.898 347 HZ PHE 25 HZ PHE 25 12.608 -0.364 -11.892 348 H TYR 26 H TYR 26 12.404 -7.043 -8.827 349 HA TYR 26 HA TYR 26 9.986 -5.649 -7.771 350 HB2 TYR 26 1HB TYR 26 11.607 -7.868 -6.554 351 HB3 TYR 26 2HB TYR 26 10.244 -7.099 -5.791 352 HD1 TYR 26 HD2 TYR 26 11.186 -9.467 -8.463 353 HD2 TYR 26 HD1 TYR 26 7.986 -7.426 -6.525 354 HE1 TYR 26 HE2 TYR 26 9.552 -10.972 -9.595 355 HE2 TYR 26 HE1 TYR 26 6.299 -9.090 -7.586 356 HH TYR 26 HH TYR 26 6.092 -10.864 -8.913 357 H THR 27 H THR 27 10.888 -3.703 -7.659 358 HA THR 27 HA THR 27 11.903 -1.868 -6.802 359 HB THR 27 HB THR 27 12.889 -1.793 -4.572 360 HG1 THR 27 HG1 THR 27 13.170 -4.582 -4.960 361 HG21 THR 27 1HG2 THR 27 10.454 -2.115 -4.616 362 HG22 THR 27 2HG2 THR 27 11.194 -2.955 -3.254 363 HG23 THR 27 3HG2 THR 27 10.666 -3.850 -4.657 364 H LYS 28 H LYS 28 13.880 -0.631 -6.951 365 HA LYS 28 HA LYS 28 15.793 -1.874 -8.775 366 HB2 LYS 28 1HB LYS 28 15.783 0.829 -7.335 367 HB3 LYS 28 2HB LYS 28 16.989 0.307 -8.522 368 HG2 LYS 28 1HG LYS 28 15.282 0.139 -10.279 369 HG3 LYS 28 2HG LYS 28 14.017 0.533 -9.129 370 HD2 LYS 28 1HD LYS 28 16.283 2.417 -10.013 371 HD3 LYS 28 2HD LYS 28 14.612 2.494 -10.585 372 HE2 LYS 28 1HE LYS 28 13.802 2.912 -8.304 373 HE3 LYS 28 2HE LYS 28 15.466 2.885 -7.686 374 HZ1 LYS 28 3HZ LYS 28 14.476 4.886 -9.650 375 HZ2 LYS 28 1HZ LYS 28 15.980 4.812 -9.004 376 HZ3 LYS 28 2HZ LYS 28 14.704 5.128 -7.997 377 HA PRO 29 HA PRO 29 18.542 -3.056 -5.512 378 HB2 PRO 29 1HB PRO 29 20.874 -3.561 -6.895 379 HB3 PRO 29 2HB PRO 29 19.421 -4.635 -6.971 380 HG2 PRO 29 1HG PRO 29 20.353 -2.510 -8.886 381 HG3 PRO 29 2HG PRO 29 19.743 -4.167 -9.248 382 HD2 PRO 29 1HD PRO 29 18.196 -1.944 -9.451 383 HD3 PRO 29 2HD PRO 29 17.567 -3.584 -9.098 384 H THR 30 H THR 30 18.566 -0.945 -4.491 385 HA THR 30 HA THR 30 20.862 0.805 -5.166 386 HB THR 30 HB THR 30 18.810 1.941 -5.915 387 HG1 THR 30 HG1 THR 30 19.029 3.373 -3.650 388 HG21 THR 30 1HG2 THR 30 17.703 1.574 -3.046 389 HG22 THR 30 2HG2 THR 30 17.071 0.891 -4.524 390 HG23 THR 30 3HG2 THR 30 16.997 2.605 -4.304 391 HXT THR 30 H02 THR 30 21.672 1.865 -3.672 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 4.735 -1.948 -1.002 2 H2 GLY 1 2H GLY 1 5.166 -1.018 -2.248 3 HA2 GLY 1 1HA GLY 1 2.622 -0.828 -0.777 4 HA3 GLY 1 2HA GLY 1 3.797 0.455 -1.189 5 H ILE 2 H ILE 2 3.659 -1.672 -3.587 6 HA ILE 2 HA ILE 2 2.449 0.227 -5.397 7 HB ILE 2 HB ILE 2 2.793 -2.757 -6.030 8 HG12 ILE 2 1HG1 ILE 2 5.002 -1.432 -7.057 9 HG13 ILE 2 2HG1 ILE 2 4.879 -0.772 -5.448 10 HG21 ILE 2 1HG2 ILE 2 1.567 -1.252 -7.660 11 HG22 ILE 2 2HG2 ILE 2 3.089 -0.338 -7.864 12 HG23 ILE 2 3HG2 ILE 2 3.015 -2.068 -8.322 13 HD11 ILE 2 3HD1 ILE 2 4.904 -3.077 -4.500 14 HD12 ILE 2 1HD1 ILE 2 5.064 -3.706 -6.168 15 HD13 ILE 2 2HD1 ILE 2 6.338 -2.697 -5.501 16 H VAL 3 H VAL 3 1.150 -2.896 -4.130 17 HA VAL 3 HA VAL 3 -1.303 -2.716 -5.562 18 HB VAL 3 HB VAL 3 -2.049 -4.610 -4.269 19 HG11 VAL 3 1HG1 VAL 3 -0.549 -5.008 -6.092 20 HG12 VAL 3 2HG1 VAL 3 0.817 -5.029 -4.948 21 HG13 VAL 3 3HG1 VAL 3 -0.490 -6.247 -4.857 22 HG21 VAL 3 3HG2 VAL 3 -0.677 -5.739 -2.511 23 HG22 VAL 3 1HG2 VAL 3 0.390 -4.319 -2.452 24 HG23 VAL 3 2HG2 VAL 3 -1.308 -4.144 -1.992 25 H GLU 4 H GLU 4 -0.236 -1.667 -2.413 26 HA GLU 4 HA GLU 4 -2.818 -0.996 -1.354 27 HB2 GLU 4 1HB GLU 4 0.037 -0.077 -0.826 28 HB3 GLU 4 2HB GLU 4 -1.289 0.797 -0.056 29 HG2 GLU 4 1HG GLU 4 -1.874 -0.928 1.341 30 HG3 GLU 4 2HG GLU 4 -1.212 -2.181 0.305 31 HE2 GLU 4 HE2 GLU 4 -0.401 0.525 2.160 32 H GLN 5 H GLN 5 -0.331 0.946 -3.109 33 HA GLN 5 HA GLN 5 -1.977 3.320 -3.206 34 HB2 GLN 5 1HB GLN 5 0.489 3.226 -3.608 35 HB3 GLN 5 2HB GLN 5 0.161 2.312 -5.061 36 HG2 GLN 5 1HG GLN 5 0.691 4.534 -5.798 37 HG3 GLN 5 2HG GLN 5 -1.057 4.297 -6.022 38 HE21 GLN 5 2HE2 GLN 5 -1.775 6.346 -5.851 39 HE22 GLN 5 1HE2 GLN 5 -1.577 7.316 -4.423 40 H CYS 6 H CYS 6 -1.614 0.642 -5.639 41 HA CYS 6 HA CYS 6 -3.488 1.942 -7.491 42 HB2 CYS 6 1HB CYS 6 -2.549 -0.938 -7.338 43 HB3 CYS 6 2HB CYS 6 -3.509 -0.240 -8.644 44 H CYS 7 H CYS 7 -4.142 -0.202 -4.733 45 HA CYS 7 HA CYS 7 -6.842 -0.624 -5.725 46 HB2 CYS 7 1HB CYS 7 -5.638 -1.042 -3.014 47 HB3 CYS 7 2HB CYS 7 -7.312 -1.440 -3.427 48 H THR 8 H THR 8 -5.316 1.795 -3.477 49 HA THR 8 HA THR 8 -8.023 2.868 -3.028 50 HB THR 8 HB THR 8 -6.238 2.869 -1.214 51 HG1 THR 8 HG1 THR 8 -8.071 4.253 -1.172 52 HG21 THR 8 1HG2 THR 8 -4.383 3.734 -2.786 53 HG22 THR 8 2HG2 THR 8 -4.490 4.445 -1.179 54 HG23 THR 8 3HG2 THR 8 -5.158 5.347 -2.558 55 H SER 9 H SER 9 -5.347 3.585 -5.252 56 HA SER 9 HA SER 9 -6.839 6.072 -6.086 57 HB2 SER 9 1HB SER 9 -4.716 6.448 -4.808 58 HB3 SER 9 2HB SER 9 -3.790 5.692 -6.123 59 HG SER 9 HG SER 9 -3.960 8.022 -6.193 60 H ILE 10 H ILE 10 -5.719 6.683 -8.383 61 HA ILE 10 HA ILE 10 -6.457 4.423 -10.086 62 HB ILE 10 HB ILE 10 -5.775 7.338 -10.810 63 HG12 ILE 10 1HG1 ILE 10 -7.785 7.284 -9.357 64 HG13 ILE 10 2HG1 ILE 10 -8.159 7.844 -10.974 65 HG21 ILE 10 1HG2 ILE 10 -7.117 5.186 -12.564 66 HG22 ILE 10 2HG2 ILE 10 -6.876 6.885 -12.996 67 HG23 ILE 10 3HG2 ILE 10 -5.478 5.822 -12.753 68 HD11 ILE 10 3HD1 ILE 10 -8.801 5.046 -9.851 69 HD12 ILE 10 1HD1 ILE 10 -9.960 6.357 -10.185 70 HD13 ILE 10 2HD1 ILE 10 -9.133 5.593 -11.537 71 H CYS 11 H CYS 11 -4.920 3.254 -11.124 72 HA CYS 11 HA CYS 11 -2.115 4.307 -11.277 73 HB2 CYS 11 1HB CYS 11 -3.240 1.577 -10.848 74 HB3 CYS 11 2HB CYS 11 -1.653 1.828 -11.614 75 H SER 12 H SER 12 -2.449 5.490 -13.187 76 HA SER 12 HA SER 12 -3.301 4.136 -15.623 77 HB2 SER 12 1HB SER 12 -1.562 6.609 -15.227 78 HB3 SER 12 2HB SER 12 -2.440 6.169 -16.729 79 HG SER 12 HG SER 12 -3.551 7.726 -15.573 80 H LEU 13 H LEU 13 -1.909 3.452 -17.454 81 HA LEU 13 HA LEU 13 0.231 1.826 -16.773 82 HB2 LEU 13 1HB LEU 13 -0.557 3.031 -19.426 83 HB3 LEU 13 2HB LEU 13 0.730 1.951 -19.300 84 HG LEU 13 HG LEU 13 -0.876 0.336 -18.142 85 HD11 LEU 13 1HD1 LEU 13 -2.873 1.899 -17.926 86 HD12 LEU 13 2HD1 LEU 13 -3.245 0.514 -18.884 87 HD13 LEU 13 3HD1 LEU 13 -2.940 2.056 -19.691 88 HD21 LEU 13 3HD2 LEU 13 -1.600 -0.515 -20.348 89 HD22 LEU 13 1HD2 LEU 13 0.155 -0.183 -20.274 90 HD23 LEU 13 2HD2 LEU 13 -0.983 0.930 -21.123 91 H TYR 14 H TYR 14 0.465 5.356 -17.858 92 HA TYR 14 HA TYR 14 3.343 5.284 -17.873 93 HB2 TYR 14 1HB TYR 14 1.769 7.082 -18.784 94 HB3 TYR 14 2HB TYR 14 1.575 7.702 -17.177 95 HD1 TYR 14 HD2 TYR 14 3.935 7.246 -19.967 96 HD2 TYR 14 HD1 TYR 14 3.413 8.780 -16.028 97 HE1 TYR 14 HE2 TYR 14 6.371 7.976 -19.597 98 HE2 TYR 14 HE1 TYR 14 5.464 10.073 -16.132 99 HH TYR 14 HH TYR 14 7.008 11.021 -18.605 100 H GLN 15 H GLN 15 1.108 5.812 -15.188 101 HA GLN 15 HA GLN 15 3.204 6.491 -13.306 102 HB2 GLN 15 1HB GLN 15 0.451 5.296 -12.771 103 HB3 GLN 15 2HB GLN 15 1.516 6.034 -11.577 104 HG2 GLN 15 1HG GLN 15 1.209 8.237 -12.650 105 HG3 GLN 15 2HG GLN 15 0.204 7.491 -13.939 106 HE21 GLN 15 2HE2 GLN 15 0.175 8.883 -10.827 107 HE22 GLN 15 1HE2 GLN 15 -1.517 8.536 -10.524 108 H LEU 16 H LEU 16 1.573 3.369 -14.221 109 HA LEU 16 HA LEU 16 2.791 1.724 -12.215 110 HB2 LEU 16 1HB LEU 16 1.906 1.150 -15.027 111 HB3 LEU 16 2HB LEU 16 2.555 -0.067 -13.975 112 HG LEU 16 HG LEU 16 -0.058 1.443 -13.491 113 HD11 LEU 16 1HD1 LEU 16 -1.084 -0.728 -14.144 114 HD12 LEU 16 2HD1 LEU 16 0.529 -1.410 -14.410 115 HD13 LEU 16 3HD1 LEU 16 -0.095 -0.124 -15.455 116 HD21 LEU 16 3HD2 LEU 16 -0.549 -0.250 -11.773 117 HD22 LEU 16 1HD2 LEU 16 0.949 0.641 -11.335 118 HD23 LEU 16 2HD2 LEU 16 1.036 -0.984 -12.028 119 H GLU 17 H GLU 17 4.066 3.004 -15.244 120 HA GLU 17 HA GLU 17 6.417 1.367 -15.440 121 HB2 GLU 17 1HB GLU 17 6.018 4.287 -16.208 122 HB3 GLU 17 2HB GLU 17 7.434 3.326 -16.599 123 HG2 GLU 17 1HG GLU 17 6.082 1.833 -17.959 124 HG3 GLU 17 2HG GLU 17 4.616 2.730 -17.529 125 HE2 GLU 17 HE2 GLU 17 7.664 3.001 -18.944 126 H ASN 18 H ASN 18 5.638 3.906 -13.068 127 HA ASN 18 HA ASN 18 8.436 4.510 -12.444 128 HB2 ASN 18 1HB ASN 18 5.998 4.625 -10.637 129 HB3 ASN 18 2HB ASN 18 7.526 5.333 -10.326 130 HD21 ASN 18 2HD2 ASN 18 4.952 6.562 -10.545 131 HD22 ASN 18 1HD2 ASN 18 5.036 7.695 -11.837 132 H TYR 19 H TYR 19 6.439 1.723 -11.775 133 HA TYR 19 HA TYR 19 8.254 0.871 -9.505 134 HB2 TYR 19 1HB TYR 19 5.691 -0.336 -10.574 135 HB3 TYR 19 2HB TYR 19 6.544 -0.839 -9.096 136 HD1 TYR 19 HD2 TYR 19 6.614 0.777 -7.135 137 HD2 TYR 19 HD1 TYR 19 4.193 1.513 -10.624 138 HE1 TYR 19 HE2 TYR 19 5.191 2.365 -5.852 139 HE2 TYR 19 HE1 TYR 19 2.866 3.160 -9.354 140 HH TYR 19 HH TYR 19 3.538 3.906 -5.947 141 H CYS 20 H CYS 20 8.134 0.738 -12.830 142 HA CYS 20 HA CYS 20 8.880 -2.061 -13.346 143 HB2 CYS 20 1HB CYS 20 7.894 -0.515 -15.052 144 HB3 CYS 20 2HB CYS 20 9.326 0.502 -14.908 145 H ASN 21 H ASN 21 11.039 -2.657 -14.130 146 HA ASN 21 HA ASN 21 13.299 -2.136 -12.448 147 HB2 ASN 21 1HB ASN 21 12.645 -3.784 -14.743 148 HB3 ASN 21 2HB ASN 21 14.017 -2.849 -15.246 149 HD21 ASN 21 2HD2 ASN 21 13.163 -5.778 -14.127 150 HD22 ASN 21 1HD2 ASN 21 14.491 -6.109 -13.103 151 HXT ASN 21 H02 ASN 21 14.307 -0.712 -12.297 152 H1 PHE 1 1H PHE 1 -7.075 -1.611 -23.230 153 H2 PHE 1 2H PHE 1 -7.249 -0.005 -23.476 154 HA PHE 1 HA PHE 1 -6.946 -1.309 -20.839 155 HB2 PHE 1 1HB PHE 1 -5.249 0.615 -22.383 156 HB3 PHE 1 2HB PHE 1 -4.851 0.029 -20.775 157 HD1 PHE 1 HD2 PHE 1 -4.521 -2.468 -20.462 158 HD2 PHE 1 HD1 PHE 1 -4.618 -0.624 -24.289 159 HE1 PHE 1 HE2 PHE 1 -3.291 -4.408 -21.412 160 HE2 PHE 1 HE1 PHE 1 -3.399 -2.564 -25.258 161 HZ PHE 1 HZ PHE 1 -2.727 -4.474 -23.829 162 H VAL 2 H VAL 2 -8.845 -0.422 -19.995 163 HA VAL 2 HA VAL 2 -8.876 2.537 -19.647 164 HB VAL 2 HB VAL 2 -10.651 0.401 -18.379 165 HG11 VAL 2 1HG1 VAL 2 -10.704 2.390 -16.973 166 HG12 VAL 2 2HG1 VAL 2 -10.779 3.467 -18.372 167 HG13 VAL 2 3HG1 VAL 2 -12.146 2.397 -17.997 168 HG21 VAL 2 3HG2 VAL 2 -10.920 2.233 -20.834 169 HG22 VAL 2 1HG2 VAL 2 -11.018 0.478 -20.818 170 HG23 VAL 2 2HG2 VAL 2 -12.306 1.452 -20.096 171 H ASN 3 H ASN 3 -7.874 3.645 -18.150 172 HA ASN 3 HA ASN 3 -6.385 2.257 -16.109 173 HB2 ASN 3 1HB ASN 3 -5.373 4.425 -15.622 174 HB3 ASN 3 2HB ASN 3 -5.297 4.134 -17.392 175 HD21 ASN 3 2HD2 ASN 3 -5.651 6.539 -15.308 176 HD22 ASN 3 1HD2 ASN 3 -6.744 7.557 -16.232 177 H GLN 4 H GLN 4 -6.975 1.970 -14.081 178 HA GLN 4 HA GLN 4 -8.743 3.884 -12.725 179 HB2 GLN 4 1HB GLN 4 -9.961 1.956 -14.261 180 HB3 GLN 4 2HB GLN 4 -9.764 1.024 -12.772 181 HG2 GLN 4 1HG GLN 4 -11.374 2.131 -11.717 182 HG3 GLN 4 2HG GLN 4 -10.954 3.727 -12.382 183 HE21 GLN 4 2HE2 GLN 4 -11.499 4.110 -14.687 184 HE22 GLN 4 1HE2 GLN 4 -13.017 3.394 -15.297 185 H HIS 5 H HIS 5 -9.535 2.098 -10.644 186 HA HIS 5 HA HIS 5 -7.109 1.716 -9.190 187 HB2 HIS 5 1HB HIS 5 -9.785 0.361 -8.807 188 HB3 HIS 5 2HB HIS 5 -8.479 0.558 -7.591 189 HD1 HIS 5 HD1 HIS 5 -7.869 3.255 -7.265 190 HD2 HIS 5 HD2 HIS 5 -11.734 2.227 -8.425 191 HE1 HIS 5 HE1 HIS 5 -9.381 5.205 -6.543 192 HE2 HIS 5 H01 HIS 5 -11.747 4.563 -7.328 193 H LEU 6 H LEU 6 -6.046 -0.322 -8.815 194 HA LEU 6 HA LEU 6 -6.813 -2.653 -10.500 195 HB2 LEU 6 1HB LEU 6 -4.152 -1.210 -10.529 196 HB3 LEU 6 2HB LEU 6 -4.297 -2.883 -11.047 197 HG LEU 6 HG LEU 6 -5.898 -0.696 -12.394 198 HD11 LEU 6 1HD1 LEU 6 -3.141 -1.861 -13.109 199 HD12 LEU 6 2HD1 LEU 6 -3.504 -0.164 -12.660 200 HD13 LEU 6 3HD1 LEU 6 -4.156 -0.826 -14.182 201 HD21 LEU 6 3HD2 LEU 6 -6.133 -2.431 -14.160 202 HD22 LEU 6 1HD2 LEU 6 -6.718 -3.053 -12.589 203 HD23 LEU 6 2HD2 LEU 6 -5.117 -3.564 -13.225 204 H CYS 7 H CYS 7 -6.686 -4.468 -9.430 205 HA CYS 7 HA CYS 7 -4.871 -4.736 -7.061 206 HB2 CYS 7 1HB CYS 7 -7.852 -5.336 -7.028 207 HB3 CYS 7 2HB CYS 7 -6.723 -5.690 -5.729 208 H AIB 8 H AIB 8 -5.771 -7.270 -6.349 209 HB11 AIB 8 1HB1 AIB 8 -6.980 -8.955 -9.470 210 HB12 AIB 8 3HB1 AIB 8 -7.838 -8.904 -7.983 211 HB13 AIB 8 1HB2 AIB 8 -7.118 -10.434 -8.502 212 HB21 AIB 8 3HB2 AIB 8 -6.304 -9.521 -5.742 213 HB22 AIB 8 2HB1 AIB 8 -4.554 -9.444 -5.913 214 HB23 AIB 8 2HB2 AIB 8 -5.467 -10.829 -6.634 215 H SER 9 H SER 9 -5.177 -10.973 -9.244 216 HA SER 9 HA SER 9 -2.392 -10.832 -9.831 217 HB2 SER 9 1HB SER 9 -2.975 -12.370 -11.711 218 HB3 SER 9 2HB SER 9 -3.683 -12.893 -10.165 219 HG SER 9 HG SER 9 -5.250 -12.979 -11.818 220 H HIS 10 H HIS 10 -5.227 -9.391 -11.230 221 HA HIS 10 HA HIS 10 -4.234 -8.517 -13.751 222 HB2 HIS 10 1HB HIS 10 -6.096 -6.971 -11.847 223 HB3 HIS 10 2HB HIS 10 -5.917 -6.702 -13.578 224 HD1 HIS 10 HD1 HIS 10 -6.231 -9.359 -14.906 225 HD2 HIS 10 HD2 HIS 10 -8.574 -8.186 -11.647 226 HE1 HIS 10 HE1 HIS 10 -8.311 -10.842 -14.910 227 HE2 HIS 10 H01 HIS 10 -9.721 -10.150 -12.935 228 H LEU 11 H LEU 11 -3.664 -7.031 -10.510 229 HA LEU 11 HA LEU 11 -2.477 -4.651 -11.651 230 HB2 LEU 11 1HB LEU 11 -3.193 -4.779 -9.277 231 HB3 LEU 11 2HB LEU 11 -1.968 -5.979 -8.927 232 HG LEU 11 HG LEU 11 -1.635 -3.562 -8.142 233 HD11 LEU 11 1HD1 LEU 11 -0.023 -5.539 -8.126 234 HD12 LEU 11 2HD1 LEU 11 0.650 -3.918 -7.941 235 HD13 LEU 11 3HD1 LEU 11 0.744 -4.750 -9.499 236 HD21 LEU 11 3HD2 LEU 11 -1.845 -2.372 -10.328 237 HD22 LEU 11 1HD2 LEU 11 -0.364 -3.152 -10.856 238 HD23 LEU 11 2HD2 LEU 11 -0.332 -2.046 -9.501 239 H VAL 12 H VAL 12 -1.117 -7.772 -10.523 240 HA VAL 12 HA VAL 12 1.585 -7.137 -11.009 241 HB VAL 12 HB VAL 12 0.313 -9.934 -11.271 242 HG11 VAL 12 1HG1 VAL 12 2.524 -10.803 -10.570 243 HG12 VAL 12 2HG1 VAL 12 2.730 -9.738 -11.988 244 HG13 VAL 12 3HG1 VAL 12 3.116 -9.146 -10.324 245 HG21 VAL 12 3HG2 VAL 12 1.161 -8.408 -8.815 246 HG22 VAL 12 1HG2 VAL 12 -0.470 -8.993 -9.201 247 HG23 VAL 12 2HG2 VAL 12 0.789 -10.152 -8.796 248 H GLU 13 H GLU 13 -0.865 -8.778 -13.071 249 HA GLU 13 HA GLU 13 0.935 -9.282 -15.255 250 HB2 GLU 13 1HB GLU 13 -1.310 -10.323 -14.913 251 HB3 GLU 13 2HB GLU 13 -2.069 -8.783 -15.281 252 HG2 GLU 13 1HG GLU 13 -2.157 -10.044 -17.320 253 HG3 GLU 13 2HG GLU 13 -0.867 -8.890 -17.549 254 HE2 GLU 13 HE2 GLU 13 1.066 -11.493 -18.488 255 H ALA 14 H ALA 14 -1.248 -6.467 -14.546 256 HA ALA 14 HA ALA 14 -0.867 -5.157 -17.073 257 HB1 ALA 14 3HB ALA 14 -1.630 -3.135 -15.843 258 HB2 ALA 14 1HB ALA 14 -2.666 -4.524 -15.486 259 HB3 ALA 14 2HB ALA 14 -1.448 -3.987 -14.316 260 H LEU 15 H LEU 15 0.809 -4.875 -13.911 261 HA LEU 15 HA LEU 15 2.703 -2.839 -14.713 262 HB2 LEU 15 1HB LEU 15 2.103 -3.936 -12.434 263 HB3 LEU 15 2HB LEU 15 3.479 -4.982 -12.730 264 HG LEU 15 HG LEU 15 3.477 -1.962 -12.455 265 HD11 LEU 15 1HD1 LEU 15 3.278 -3.247 -10.327 266 HD12 LEU 15 2HD1 LEU 15 4.786 -2.378 -10.436 267 HD13 LEU 15 3HD1 LEU 15 4.799 -4.097 -10.732 268 HD21 LEU 15 3HD2 LEU 15 5.723 -3.814 -13.207 269 HD22 LEU 15 1HD2 LEU 15 5.982 -2.221 -12.449 270 HD23 LEU 15 2HD2 LEU 15 5.149 -2.310 -14.037 271 H TYR 16 H TYR 16 2.808 -6.433 -14.919 272 HA TYR 16 HA TYR 16 5.501 -6.535 -15.859 273 HB2 TYR 16 1HB TYR 16 4.134 -8.469 -14.874 274 HB3 TYR 16 2HB TYR 16 3.198 -8.470 -16.385 275 HD1 TYR 16 HD1 TYR 16 6.698 -9.051 -15.155 276 HD2 TYR 16 HD2 TYR 16 3.882 -9.382 -18.406 277 HE1 TYR 16 HE1 TYR 16 8.355 -10.379 -16.429 278 HE2 TYR 16 HE2 TYR 16 5.590 -10.825 -19.619 279 HH TYR 16 HH TYR 16 8.803 -11.583 -18.349 280 H LEU 17 H LEU 17 2.365 -6.304 -17.636 281 HA LEU 17 HA LEU 17 3.567 -6.520 -20.219 282 HB2 LEU 17 1HB LEU 17 0.993 -5.304 -19.266 283 HB3 LEU 17 2HB LEU 17 1.446 -5.377 -20.961 284 HG LEU 17 HG LEU 17 1.231 -7.858 -19.229 285 HD11 LEU 17 1HD1 LEU 17 -0.929 -6.717 -19.232 286 HD12 LEU 17 2HD1 LEU 17 -0.982 -8.190 -20.223 287 HD13 LEU 17 3HD1 LEU 17 -0.905 -6.627 -21.024 288 HD21 LEU 17 3HD2 LEU 17 2.533 -8.252 -21.206 289 HD22 LEU 17 1HD2 LEU 17 1.325 -7.454 -22.258 290 HD23 LEU 17 2HD2 LEU 17 0.945 -8.997 -21.436 291 H VAL 18 H VAL 18 2.678 -3.657 -18.278 292 HA VAL 18 HA VAL 18 3.536 -1.850 -20.398 293 HB VAL 18 HB VAL 18 1.884 -1.205 -18.607 294 HG11 VAL 18 1HG1 VAL 18 4.271 -0.874 -16.833 295 HG12 VAL 18 2HG1 VAL 18 2.541 -0.475 -16.473 296 HG13 VAL 18 3HG1 VAL 18 3.080 -2.151 -16.668 297 HG21 VAL 18 3HG2 VAL 18 2.661 1.167 -18.461 298 HG22 VAL 18 1HG2 VAL 18 4.313 0.656 -18.827 299 HG23 VAL 18 2HG2 VAL 18 3.071 0.516 -20.083 300 H CYS 19 H CYS 19 5.206 -3.410 -17.688 301 HA CYS 19 HA CYS 19 7.510 -1.638 -17.867 302 HB2 CYS 19 1HB CYS 19 6.831 -2.811 -15.815 303 HB3 CYS 19 2HB CYS 19 7.094 -4.366 -16.627 304 H GLY 20 H GLY 20 6.681 -4.828 -19.146 305 HA2 GLY 20 1HA GLY 20 7.678 -5.580 -21.260 306 HA3 GLY 20 2HA GLY 20 9.174 -4.817 -20.709 307 H GLU 21 H GLU 21 9.593 -7.059 -21.584 308 HA GLU 21 HA GLU 21 9.199 -9.448 -20.075 309 HB2 GLU 21 1HB GLU 21 11.476 -8.698 -21.989 310 HB3 GLU 21 2HB GLU 21 11.047 -10.328 -21.514 311 HG2 GLU 21 1HG GLU 21 8.945 -10.226 -22.614 312 HG3 GLU 21 2HG GLU 21 9.177 -8.566 -23.091 313 HE2 GLU 21 HE2 GLU 21 10.305 -9.891 -25.975 314 H ARG 22 H ARG 22 11.257 -6.755 -19.492 315 HA ARG 22 HA ARG 22 13.255 -8.185 -17.934 316 HB2 ARG 22 1HB ARG 22 13.797 -5.921 -16.997 317 HB3 ARG 22 2HB ARG 22 13.867 -6.057 -18.740 318 HG2 ARG 22 1HG ARG 22 11.250 -5.197 -17.948 319 HG3 ARG 22 2HG ARG 22 12.499 -4.148 -17.266 320 HD2 ARG 22 1HD ARG 22 12.847 -4.935 -20.081 321 HD3 ARG 22 2HD ARG 22 11.550 -3.801 -19.757 322 HE ARG 22 HE ARG 22 14.419 -3.299 -19.511 323 HH11 ARG 22 1HH1 ARG 22 11.209 -2.075 -18.564 324 HH12 ARG 22 2HH1 ARG 22 11.819 -0.465 -18.297 325 HH21 ARG 22 1HH2 ARG 22 15.083 -1.244 -19.143 326 HH22 ARG 22 2HH2 ARG 22 13.984 -0.048 -18.599 327 H GLY 23 H GLY 23 9.948 -7.298 -17.336 328 HA2 GLY 23 1HA GLY 23 8.780 -7.596 -15.301 329 HA3 GLY 23 2HA GLY 23 10.106 -8.639 -14.830 330 H PHE 24 H PHE 24 9.506 -7.804 -12.647 331 HA PHE 24 HA PHE 24 11.191 -5.475 -11.903 332 HB2 PHE 24 1HB PHE 24 9.337 -4.516 -10.572 333 HB3 PHE 24 2HB PHE 24 8.945 -4.524 -12.311 334 HD1 PHE 24 HD1 PHE 24 7.257 -6.096 -13.290 335 HD2 PHE 24 HD2 PHE 24 7.954 -5.847 -8.997 336 HE1 PHE 24 HE1 PHE 24 5.140 -7.115 -12.869 337 HE2 PHE 24 HE2 PHE 24 5.805 -6.928 -8.565 338 HZ PHE 24 HZ PHE 24 4.357 -7.613 -10.486 339 H PHE 25 H PHE 25 11.699 -5.580 -9.653 340 HA PHE 25 HA PHE 25 11.517 -8.428 -8.605 341 HB2 PHE 25 1HB PHE 25 13.736 -6.835 -9.426 342 HB3 PHE 25 2HB PHE 25 13.864 -6.950 -7.677 343 HD1 PHE 25 HD1 PHE 25 12.613 -9.449 -10.087 344 HD2 PHE 25 HD2 PHE 25 15.699 -8.475 -7.360 345 HE1 PHE 25 HE1 PHE 25 13.638 -11.792 -10.410 346 HE2 PHE 25 HE2 PHE 25 16.759 -10.734 -7.630 347 HZ PHE 25 HZ PHE 25 15.718 -12.402 -9.168 348 H TYR 26 H TYR 26 9.806 -6.098 -8.021 349 HA TYR 26 HA TYR 26 10.447 -5.141 -5.340 350 HB2 TYR 26 1HB TYR 26 8.812 -4.297 -7.426 351 HB3 TYR 26 2HB TYR 26 7.667 -4.854 -6.160 352 HD1 TYR 26 HD2 TYR 26 8.884 -3.949 -3.687 353 HD2 TYR 26 HD1 TYR 26 8.658 -1.938 -7.468 354 HE1 TYR 26 HE2 TYR 26 9.149 -1.719 -2.545 355 HE2 TYR 26 HE1 TYR 26 9.046 0.263 -6.377 356 HH TYR 26 HH TYR 26 9.509 1.322 -4.482 357 H THR 27 H THR 27 9.673 -8.119 -6.312 358 HA THR 27 HA THR 27 8.049 -8.698 -3.872 359 HB THR 27 HB THR 27 6.281 -8.246 -5.447 360 HG1 THR 27 HG1 THR 27 5.282 -9.990 -4.865 361 HG21 THR 27 1HG2 THR 27 7.519 -8.521 -7.617 362 HG22 THR 27 2HG2 THR 27 5.994 -9.427 -7.610 363 HG23 THR 27 3HG2 THR 27 7.525 -10.302 -7.373 364 H LYS 28 H LYS 28 10.574 -9.274 -3.886 365 HA LYS 28 HA LYS 28 11.204 -11.940 -4.865 366 HB2 LYS 28 1HB LYS 28 12.459 -10.041 -2.906 367 HB3 LYS 28 2HB LYS 28 13.173 -11.606 -3.322 368 HG2 LYS 28 1HG LYS 28 13.437 -10.964 -5.599 369 HG3 LYS 28 2HG LYS 28 12.570 -9.460 -5.390 370 HD2 LYS 28 1HD LYS 28 15.151 -10.204 -3.917 371 HD3 LYS 28 2HD LYS 28 15.115 -9.268 -5.401 372 HE2 LYS 28 1HE LYS 28 13.674 -7.532 -4.310 373 HE3 LYS 28 2HE LYS 28 13.782 -8.445 -2.784 374 HZ1 LYS 28 3HZ LYS 28 16.018 -7.230 -4.280 375 HZ2 LYS 28 1HZ LYS 28 16.187 -8.137 -2.882 376 HZ3 LYS 28 2HZ LYS 28 15.382 -6.664 -2.841 377 HA PRO 29 HA PRO 29 9.490 -13.836 -1.156 378 HB2 PRO 29 1HB PRO 29 9.775 -16.496 -1.770 379 HB3 PRO 29 2HB PRO 29 8.625 -15.431 -2.651 380 HG2 PRO 29 1HG PRO 29 11.352 -16.320 -3.450 381 HG3 PRO 29 2HG PRO 29 9.876 -16.203 -4.433 382 HD2 PRO 29 1HD PRO 29 11.893 -14.257 -4.415 383 HD3 PRO 29 2HD PRO 29 10.170 -13.982 -4.907 384 H THR 30 H THR 30 11.023 -12.895 0.095 385 HA THR 30 HA THR 30 12.749 -12.557 1.461 386 HB THR 30 HB THR 30 13.780 -14.362 2.812 387 HG1 THR 30 HG1 THR 30 13.150 -16.470 2.383 388 HG21 THR 30 1HG2 THR 30 10.804 -15.130 2.498 389 HG22 THR 30 2HG2 THR 30 11.207 -13.621 3.264 390 HG23 THR 30 3HG2 THR 30 11.776 -15.135 3.974 391 HXT THR 30 H02 THR 30 14.003 -15.355 -0.097 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 3.808 -2.857 -1.383 2 H2 GLY 1 2H GLY 1 4.932 -1.801 -1.044 3 HA2 GLY 1 1HA GLY 1 2.423 -1.215 -0.750 4 HA3 GLY 1 2HA GLY 1 3.539 0.028 -1.271 5 H ILE 2 H ILE 2 3.521 -2.026 -3.687 6 HA ILE 2 HA ILE 2 2.449 -0.251 -5.554 7 HB ILE 2 HB ILE 2 2.092 -3.159 -6.183 8 HG12 ILE 2 1HG1 ILE 2 4.004 -3.320 -4.706 9 HG13 ILE 2 2HG1 ILE 2 4.443 -3.733 -6.365 10 HG21 ILE 2 1HG2 ILE 2 3.495 -0.820 -7.579 11 HG22 ILE 2 2HG2 ILE 2 3.223 -2.425 -8.270 12 HG23 ILE 2 3HG2 ILE 2 1.839 -1.357 -7.886 13 HD11 ILE 2 3HD1 ILE 2 5.056 -0.963 -5.259 14 HD12 ILE 2 1HD1 ILE 2 6.142 -2.338 -5.035 15 HD13 ILE 2 2HD1 ILE 2 5.792 -1.742 -6.680 16 H VAL 3 H VAL 3 0.643 -3.092 -4.191 17 HA VAL 3 HA VAL 3 -1.581 -2.442 -5.915 18 HB VAL 3 HB VAL 3 -2.558 -4.374 -5.394 19 HG11 VAL 3 1HG1 VAL 3 -0.240 -5.096 -5.845 20 HG12 VAL 3 2HG1 VAL 3 0.210 -4.918 -4.114 21 HG13 VAL 3 3HG1 VAL 3 -0.953 -6.167 -4.595 22 HG21 VAL 3 3HG2 VAL 3 -3.328 -3.760 -3.184 23 HG22 VAL 3 1HG2 VAL 3 -2.608 -5.408 -3.108 24 HG23 VAL 3 2HG2 VAL 3 -1.726 -3.997 -2.482 25 H GLU 4 H GLU 4 -0.672 -1.647 -2.621 26 HA GLU 4 HA GLU 4 -3.223 -0.688 -1.747 27 HB2 GLU 4 1HB GLU 4 -0.405 0.027 -0.923 28 HB3 GLU 4 2HB GLU 4 -1.879 0.516 -0.042 29 HG2 GLU 4 1HG GLU 4 -2.334 -1.866 0.397 30 HG3 GLU 4 2HG GLU 4 -0.938 -2.371 -0.528 31 HE2 GLU 4 HE2 GLU 4 0.828 -2.393 0.400 32 H GLN 5 H GLN 5 -0.420 0.813 -3.449 33 HA GLN 5 HA GLN 5 -1.648 3.422 -3.471 34 HB2 GLN 5 1HB GLN 5 0.829 2.985 -3.781 35 HB3 GLN 5 2HB GLN 5 0.499 2.441 -5.413 36 HG2 GLN 5 1HG GLN 5 1.306 4.721 -5.464 37 HG3 GLN 5 2HG GLN 5 -0.344 4.639 -6.022 38 HE21 GLN 5 2HE2 GLN 5 0.832 4.754 -2.677 39 HE22 GLN 5 1HE2 GLN 5 0.027 6.292 -2.280 40 H CYS 6 H CYS 6 -1.740 0.665 -5.739 41 HA CYS 6 HA CYS 6 -2.945 2.267 -7.787 42 HB2 CYS 6 1HB CYS 6 -2.200 -0.512 -7.408 43 HB3 CYS 6 2HB CYS 6 -3.662 -0.326 -8.411 44 H CYS 7 H CYS 7 -4.263 -0.093 -5.380 45 HA CYS 7 HA CYS 7 -6.837 -0.131 -6.729 46 HB2 CYS 7 1HB CYS 7 -5.935 -0.942 -3.963 47 HB3 CYS 7 2HB CYS 7 -7.535 -1.294 -4.635 48 H THR 8 H THR 8 -5.658 2.261 -4.464 49 HA THR 8 HA THR 8 -8.274 2.754 -3.351 50 HB THR 8 HB THR 8 -6.186 3.142 -2.081 51 HG1 THR 8 HG1 THR 8 -7.812 5.432 -2.572 52 HG21 THR 8 1HG2 THR 8 -4.716 4.128 -3.879 53 HG22 THR 8 2HG2 THR 8 -4.803 5.162 -2.457 54 HG23 THR 8 3HG2 THR 8 -5.768 5.560 -3.903 55 H SER 9 H SER 9 -6.976 3.354 -6.300 56 HA SER 9 HA SER 9 -9.001 5.319 -6.964 57 HB2 SER 9 1HB SER 9 -6.926 6.653 -6.325 58 HB3 SER 9 2HB SER 9 -6.024 5.751 -7.558 59 HG SER 9 HG SER 9 -6.794 7.819 -8.319 60 H ILE 10 H ILE 10 -7.826 5.512 -9.622 61 HA ILE 10 HA ILE 10 -7.648 2.630 -10.504 62 HB ILE 10 HB ILE 10 -8.940 5.038 -11.883 63 HG12 ILE 10 1HG1 ILE 10 -10.220 2.422 -10.979 64 HG13 ILE 10 2HG1 ILE 10 -10.305 3.990 -10.150 65 HG21 ILE 10 1HG2 ILE 10 -9.384 3.577 -13.822 66 HG22 ILE 10 2HG2 ILE 10 -7.631 3.751 -13.520 67 HG23 ILE 10 3HG2 ILE 10 -8.481 2.257 -13.036 68 HD11 ILE 10 3HD1 ILE 10 -11.533 3.382 -12.874 69 HD12 ILE 10 1HD1 ILE 10 -12.383 3.550 -11.361 70 HD13 ILE 10 2HD1 ILE 10 -11.578 4.935 -12.074 71 H CYS 11 H CYS 11 -5.457 2.544 -10.543 72 HA CYS 11 HA CYS 11 -3.876 4.881 -11.117 73 HB2 CYS 11 1HB CYS 11 -1.964 3.331 -10.974 74 HB3 CYS 11 2HB CYS 11 -3.037 3.178 -9.604 75 H SER 12 H SER 12 -2.296 5.081 -12.781 76 HA SER 12 HA SER 12 -3.476 4.125 -15.383 77 HB2 SER 12 1HB SER 12 -2.496 6.009 -16.443 78 HB3 SER 12 2HB SER 12 -3.177 6.643 -14.915 79 HG SER 12 HG SER 12 -1.323 7.198 -14.226 80 H LEU 13 H LEU 13 -2.033 3.446 -17.144 81 HA LEU 13 HA LEU 13 0.127 1.685 -16.340 82 HB2 LEU 13 1HB LEU 13 -0.406 3.062 -19.031 83 HB3 LEU 13 2HB LEU 13 0.670 1.660 -18.847 84 HG LEU 13 HG LEU 13 -2.344 1.615 -18.171 85 HD11 LEU 13 1HD1 LEU 13 -2.582 0.468 -20.359 86 HD12 LEU 13 2HD1 LEU 13 -0.844 0.626 -20.689 87 HD13 LEU 13 3HD1 LEU 13 -1.865 2.070 -20.589 88 HD21 LEU 13 3HD2 LEU 13 -0.356 -0.752 -18.574 89 HD22 LEU 13 1HD2 LEU 13 -2.041 -0.822 -18.138 90 HD23 LEU 13 2HD2 LEU 13 -0.918 -0.149 -17.049 91 H TYR 14 H TYR 14 0.183 5.134 -17.442 92 HA TYR 14 HA TYR 14 2.919 5.594 -17.458 93 HB2 TYR 14 1HB TYR 14 1.185 7.238 -18.141 94 HB3 TYR 14 2HB TYR 14 0.700 7.385 -16.446 95 HD1 TYR 14 HD2 TYR 14 3.825 7.673 -18.663 96 HD2 TYR 14 HD1 TYR 14 1.754 9.028 -15.186 97 HE1 TYR 14 HE2 TYR 14 5.783 8.743 -17.551 98 HE2 TYR 14 HE1 TYR 14 3.424 10.723 -14.758 99 HH TYR 14 HH TYR 14 6.409 10.872 -16.034 100 H GLN 15 H GLN 15 0.714 5.558 -14.605 101 HA GLN 15 HA GLN 15 2.843 6.414 -12.872 102 HB2 GLN 15 1HB GLN 15 0.192 5.024 -12.492 103 HB3 GLN 15 2HB GLN 15 1.263 5.344 -11.108 104 HG2 GLN 15 1HG GLN 15 1.115 7.738 -11.396 105 HG3 GLN 15 2HG GLN 15 0.227 7.483 -12.932 106 HE21 GLN 15 2HE2 GLN 15 -0.688 8.924 -10.516 107 HE22 GLN 15 1HE2 GLN 15 -2.094 8.044 -9.965 108 H LEU 16 H LEU 16 1.514 3.245 -13.900 109 HA LEU 16 HA LEU 16 2.974 1.586 -12.158 110 HB2 LEU 16 1HB LEU 16 1.721 1.124 -14.857 111 HB3 LEU 16 2HB LEU 16 2.574 -0.161 -13.984 112 HG LEU 16 HG LEU 16 0.193 1.295 -12.822 113 HD11 LEU 16 1HD1 LEU 16 0.284 -1.364 -14.336 114 HD12 LEU 16 2HD1 LEU 16 -0.421 0.139 -14.955 115 HD13 LEU 16 3HD1 LEU 16 -1.127 -0.641 -13.561 116 HD21 LEU 16 3HD2 LEU 16 0.012 -0.748 -11.494 117 HD22 LEU 16 1HD2 LEU 16 1.481 0.172 -11.149 118 HD23 LEU 16 2HD2 LEU 16 1.562 -1.310 -12.161 119 H GLU 17 H GLU 17 3.988 3.140 -15.117 120 HA GLU 17 HA GLU 17 6.310 1.568 -15.693 121 HB2 GLU 17 1HB GLU 17 5.789 4.523 -16.035 122 HB3 GLU 17 2HB GLU 17 7.276 3.771 -16.600 123 HG2 GLU 17 1HG GLU 17 6.043 2.519 -18.324 124 HG3 GLU 17 2HG GLU 17 4.530 2.863 -17.534 125 HE2 GLU 17 HE2 GLU 17 5.278 4.914 -20.453 126 H ASN 18 H ASN 18 5.700 3.876 -13.079 127 HA ASN 18 HA ASN 18 8.479 4.420 -12.547 128 HB2 ASN 18 1HB ASN 18 6.073 4.698 -10.759 129 HB3 ASN 18 2HB ASN 18 7.687 5.311 -10.405 130 HD21 ASN 18 2HD2 ASN 18 5.064 6.602 -10.737 131 HD22 ASN 18 1HD2 ASN 18 5.322 7.801 -11.991 132 H TYR 19 H TYR 19 6.530 1.670 -11.929 133 HA TYR 19 HA TYR 19 8.178 0.759 -9.645 134 HB2 TYR 19 1HB TYR 19 5.798 -0.479 -11.089 135 HB3 TYR 19 2HB TYR 19 6.569 -1.179 -9.694 136 HD1 TYR 19 HD1 TYR 19 6.661 0.329 -7.503 137 HD2 TYR 19 HD2 TYR 19 4.074 1.143 -10.793 138 HE1 TYR 19 HE1 TYR 19 5.176 1.617 -5.978 139 HE2 TYR 19 HE2 TYR 19 2.614 2.480 -9.329 140 HH TYR 19 HH TYR 19 3.226 3.015 -5.898 141 H CYS 20 H CYS 20 8.175 0.736 -13.022 142 HA CYS 20 HA CYS 20 9.733 -1.720 -13.297 143 HB2 CYS 20 1HB CYS 20 8.019 -0.910 -15.024 144 HB3 CYS 20 2HB CYS 20 9.140 0.454 -15.347 145 H ASN 21 H ASN 21 9.961 1.796 -12.767 146 HA ASN 21 HA ASN 21 12.555 2.212 -13.926 147 HB2 ASN 21 1HB ASN 21 10.704 3.930 -13.538 148 HB3 ASN 21 2HB ASN 21 11.234 3.964 -11.867 149 HD21 ASN 21 2HD2 ASN 21 11.841 4.846 -15.199 150 HD22 ASN 21 1HD2 ASN 21 13.246 5.776 -14.847 151 HXT ASN 21 H02 ASN 21 14.148 1.332 -13.160 152 H1 PHE 1 1H PHE 1 -4.053 -4.508 -19.963 153 H2 PHE 1 2H PHE 1 -5.457 -4.620 -20.684 154 HA PHE 1 HA PHE 1 -4.483 -2.352 -19.144 155 HB2 PHE 1 1HB PHE 1 -5.316 -2.676 -22.094 156 HB3 PHE 1 2HB PHE 1 -4.590 -1.258 -21.372 157 HD1 PHE 1 HD1 PHE 1 -2.190 -1.837 -20.101 158 HD2 PHE 1 HD2 PHE 1 -3.962 -3.926 -23.419 159 HE1 PHE 1 HE1 PHE 1 0.079 -2.700 -20.764 160 HE2 PHE 1 HE2 PHE 1 -1.760 -4.577 -24.155 161 HZ PHE 1 HZ PHE 1 0.320 -3.991 -22.862 162 H VAL 2 H VAL 2 -6.675 -3.702 -18.338 163 HA VAL 2 HA VAL 2 -9.191 -2.423 -19.225 164 HB VAL 2 HB VAL 2 -8.646 -4.177 -16.728 165 HG11 VAL 2 1HG1 VAL 2 -10.916 -4.851 -16.792 166 HG12 VAL 2 2HG1 VAL 2 -10.811 -3.103 -16.667 167 HG13 VAL 2 3HG1 VAL 2 -11.226 -3.818 -18.196 168 HG21 VAL 2 3HG2 VAL 2 -9.419 -6.141 -18.191 169 HG22 VAL 2 1HG2 VAL 2 -9.205 -5.074 -19.590 170 HG23 VAL 2 2HG2 VAL 2 -7.823 -5.466 -18.566 171 H ASN 3 H ASN 3 -10.237 -0.744 -18.163 172 HA ASN 3 HA ASN 3 -8.586 1.031 -16.573 173 HB2 ASN 3 1HB ASN 3 -10.605 2.547 -16.680 174 HB3 ASN 3 2HB ASN 3 -9.980 1.975 -18.233 175 HD21 ASN 3 2HD2 ASN 3 -11.455 1.129 -19.608 176 HD22 ASN 3 1HD2 ASN 3 -13.047 0.599 -19.173 177 H GLN 4 H GLN 4 -9.586 -1.566 -15.377 178 HA GLN 4 HA GLN 4 -11.371 -0.751 -13.234 179 HB2 GLN 4 1HB GLN 4 -10.715 -3.134 -14.382 180 HB3 GLN 4 2HB GLN 4 -9.746 -3.178 -12.900 181 HG2 GLN 4 1HG GLN 4 -11.849 -4.236 -12.394 182 HG3 GLN 4 2HG GLN 4 -11.836 -2.672 -11.566 183 HE21 GLN 4 2HE2 GLN 4 -13.865 -1.812 -11.695 184 HE22 GLN 4 1HE2 GLN 4 -14.815 -1.835 -13.155 185 H HIS 5 H HIS 5 -10.473 -1.531 -10.911 186 HA HIS 5 HA HIS 5 -8.381 0.324 -10.197 187 HB2 HIS 5 1HB HIS 5 -9.720 -1.997 -8.729 188 HB3 HIS 5 2HB HIS 5 -8.605 -0.849 -7.936 189 HD1 HIS 5 HD1 HIS 5 -9.371 1.335 -7.131 190 HD2 HIS 5 HD2 HIS 5 -12.177 -0.533 -9.629 191 HE1 HIS 5 HE1 HIS 5 -11.477 2.700 -7.007 192 HE2 HIS 5 H01 HIS 5 -13.206 1.585 -8.513 193 H LEU 6 H LEU 6 -8.069 -2.770 -11.580 194 HA LEU 6 HA LEU 6 -6.348 -4.296 -11.782 195 HB2 LEU 6 1HB LEU 6 -4.714 -1.800 -11.340 196 HB3 LEU 6 2HB LEU 6 -4.104 -3.295 -12.031 197 HG LEU 6 HG LEU 6 -6.231 -1.528 -13.316 198 HD11 LEU 6 1HD1 LEU 6 -3.289 -1.817 -14.087 199 HD12 LEU 6 2HD1 LEU 6 -3.973 -0.418 -13.187 200 HD13 LEU 6 3HD1 LEU 6 -4.533 -0.775 -14.863 201 HD21 LEU 6 3HD2 LEU 6 -5.445 -2.958 -15.336 202 HD22 LEU 6 1HD2 LEU 6 -6.472 -3.743 -14.133 203 HD23 LEU 6 2HD2 LEU 6 -4.720 -4.052 -14.161 204 H CYS 7 H CYS 7 -7.190 -5.041 -9.435 205 HA CYS 7 HA CYS 7 -4.925 -4.731 -7.572 206 HB2 CYS 7 1HB CYS 7 -7.687 -5.843 -7.177 207 HB3 CYS 7 2HB CYS 7 -6.525 -5.635 -5.893 208 H AIB 8 H AIB 8 -4.179 -6.600 -6.259 209 HB11 AIB 8 1HB1 AIB 8 -5.520 -9.211 -5.501 210 HB12 AIB 8 3HB1 AIB 8 -4.849 -10.614 -6.294 211 HB13 AIB 8 1HB2 AIB 8 -5.973 -9.562 -7.149 212 HB21 AIB 8 3HB2 AIB 8 -2.339 -9.651 -5.684 213 HB22 AIB 8 2HB1 AIB 8 -3.292 -8.378 -4.803 214 HB23 AIB 8 2HB2 AIB 8 -2.045 -7.878 -5.957 215 H SER 9 H SER 9 -4.448 -10.725 -8.490 216 HA SER 9 HA SER 9 -2.063 -10.966 -10.003 217 HB2 SER 9 1HB SER 9 -3.767 -12.730 -9.843 218 HB3 SER 9 2HB SER 9 -4.859 -11.655 -10.826 219 HG SER 9 HG SER 9 -2.311 -12.722 -11.646 220 H HIS 10 H HIS 10 -4.882 -8.871 -10.566 221 HA HIS 10 HA HIS 10 -4.182 -8.382 -13.338 222 HB2 HIS 10 1HB HIS 10 -5.775 -6.593 -11.444 223 HB3 HIS 10 2HB HIS 10 -5.750 -6.525 -13.171 224 HD1 HIS 10 HD1 HIS 10 -6.544 -9.097 -14.263 225 HD2 HIS 10 HD2 HIS 10 -7.926 -7.930 -10.496 226 HE1 HIS 10 HE1 HIS 10 -8.496 -10.586 -13.754 227 HE2 HIS 10 H01 HIS 10 -9.356 -9.938 -11.485 228 H LEU 11 H LEU 11 -3.188 -7.023 -10.207 229 HA LEU 11 HA LEU 11 -2.053 -4.597 -11.236 230 HB2 LEU 11 1HB LEU 11 -2.576 -5.012 -8.862 231 HB3 LEU 11 2HB LEU 11 -1.337 -6.241 -8.812 232 HG LEU 11 HG LEU 11 -0.842 -3.995 -7.714 233 HD11 LEU 11 1HD1 LEU 11 1.216 -4.881 -9.760 234 HD12 LEU 11 2HD1 LEU 11 0.878 -5.732 -8.255 235 HD13 LEU 11 3HD1 LEU 11 1.496 -4.120 -8.186 236 HD21 LEU 11 3HD2 LEU 11 0.018 -2.187 -9.113 237 HD22 LEU 11 1HD2 LEU 11 -1.682 -2.527 -9.486 238 HD23 LEU 11 2HD2 LEU 11 -0.389 -3.088 -10.568 239 H VAL 12 H VAL 12 -0.738 -7.864 -10.432 240 HA VAL 12 HA VAL 12 1.865 -7.214 -11.305 241 HB VAL 12 HB VAL 12 0.721 -10.027 -11.254 242 HG11 VAL 12 1HG1 VAL 12 3.525 -8.966 -10.952 243 HG12 VAL 12 2HG1 VAL 12 3.082 -10.659 -10.828 244 HG13 VAL 12 3HG1 VAL 12 2.880 -9.813 -12.341 245 HG21 VAL 12 3HG2 VAL 12 1.920 -8.476 -8.949 246 HG22 VAL 12 1HG2 VAL 12 0.253 -8.923 -9.091 247 HG23 VAL 12 2HG2 VAL 12 1.466 -10.165 -8.892 248 H GLU 13 H GLU 13 -0.910 -8.597 -13.046 249 HA GLU 13 HA GLU 13 0.516 -9.296 -15.380 250 HB2 GLU 13 1HB GLU 13 -1.872 -9.957 -14.784 251 HB3 GLU 13 2HB GLU 13 -2.381 -8.309 -15.151 252 HG2 GLU 13 1HG GLU 13 -2.941 -9.601 -16.994 253 HG3 GLU 13 2HG GLU 13 -1.583 -8.604 -17.507 254 HE2 GLU 13 HE2 GLU 13 0.243 -11.240 -18.376 255 H ALA 14 H ALA 14 -1.210 -6.238 -14.454 256 HA ALA 14 HA ALA 14 -0.792 -4.800 -16.874 257 HB1 ALA 14 3HB ALA 14 -0.957 -3.552 -14.156 258 HB2 ALA 14 1HB ALA 14 -1.611 -2.977 -15.699 259 HB3 ALA 14 2HB ALA 14 -2.382 -4.313 -14.893 260 H LEU 15 H LEU 15 1.148 -4.947 -13.822 261 HA LEU 15 HA LEU 15 3.117 -3.037 -14.599 262 HB2 LEU 15 1HB LEU 15 2.606 -4.654 -12.386 263 HB3 LEU 15 2HB LEU 15 4.092 -5.378 -13.027 264 HG LEU 15 HG LEU 15 3.767 -2.433 -12.287 265 HD11 LEU 15 1HD1 LEU 15 5.196 -4.617 -10.787 266 HD12 LEU 15 2HD1 LEU 15 3.666 -3.865 -10.310 267 HD13 LEU 15 3HD1 LEU 15 5.148 -2.905 -10.358 268 HD21 LEU 15 3HD2 LEU 15 5.485 -2.661 -14.005 269 HD22 LEU 15 1HD2 LEU 15 6.234 -4.013 -13.122 270 HD23 LEU 15 2HD2 LEU 15 6.284 -2.384 -12.420 271 H TYR 16 H TYR 16 2.935 -6.625 -15.015 272 HA TYR 16 HA TYR 16 5.541 -6.799 -16.273 273 HB2 TYR 16 1HB TYR 16 4.355 -8.720 -15.314 274 HB3 TYR 16 2HB TYR 16 3.009 -8.556 -16.482 275 HD1 TYR 16 HD2 TYR 16 6.702 -9.156 -16.348 276 HD2 TYR 16 HD1 TYR 16 3.016 -9.703 -18.516 277 HE1 TYR 16 HE2 TYR 16 7.952 -10.584 -17.930 278 HE2 TYR 16 HE1 TYR 16 4.262 -11.150 -20.155 279 HH TYR 16 HH TYR 16 7.829 -11.776 -19.911 280 H LEU 17 H LEU 17 2.239 -6.335 -17.680 281 HA LEU 17 HA LEU 17 3.221 -6.501 -20.352 282 HB2 LEU 17 1HB LEU 17 0.924 -5.002 -19.180 283 HB3 LEU 17 2HB LEU 17 1.207 -5.134 -20.920 284 HG LEU 17 HG LEU 17 0.852 -7.591 -19.213 285 HD11 LEU 17 1HD1 LEU 17 -1.179 -6.371 -19.045 286 HD12 LEU 17 2HD1 LEU 17 -1.441 -7.571 -20.285 287 HD13 LEU 17 3HD1 LEU 17 -1.134 -5.893 -20.784 288 HD21 LEU 17 3HD2 LEU 17 2.085 -7.814 -21.378 289 HD22 LEU 17 1HD2 LEU 17 0.687 -7.165 -22.224 290 HD23 LEU 17 2HD2 LEU 17 0.551 -8.691 -21.352 291 H VAL 18 H VAL 18 2.992 -3.663 -18.195 292 HA VAL 18 HA VAL 18 3.735 -1.903 -20.420 293 HB VAL 18 HB VAL 18 2.133 -1.218 -18.551 294 HG11 VAL 18 1HG1 VAL 18 3.395 -1.992 -16.613 295 HG12 VAL 18 2HG1 VAL 18 4.710 -0.839 -17.000 296 HG13 VAL 18 3HG1 VAL 18 3.098 -0.242 -16.522 297 HG21 VAL 18 3HG2 VAL 18 2.904 1.107 -18.588 298 HG22 VAL 18 1HG2 VAL 18 4.525 0.580 -19.081 299 HG23 VAL 18 2HG2 VAL 18 3.123 0.352 -20.168 300 H CYS 19 H CYS 19 5.353 -3.497 -17.763 301 HA CYS 19 HA CYS 19 7.737 -1.877 -17.969 302 HB2 CYS 19 1HB CYS 19 6.941 -3.015 -15.855 303 HB3 CYS 19 2HB CYS 19 7.319 -4.531 -16.610 304 H GLY 20 H GLY 20 6.661 -5.081 -19.096 305 HA2 GLY 20 1HA GLY 20 7.718 -6.097 -21.047 306 HA3 GLY 20 2HA GLY 20 9.191 -5.189 -20.732 307 H GLU 21 H GLU 21 10.535 -6.834 -20.647 308 HA GLU 21 HA GLU 21 9.835 -9.354 -19.407 309 HB2 GLU 21 1HB GLU 21 12.535 -8.434 -20.491 310 HB3 GLU 21 2HB GLU 21 12.066 -10.120 -20.078 311 HG2 GLU 21 1HG GLU 21 10.300 -10.077 -21.822 312 HG3 GLU 21 2HG GLU 21 10.767 -8.469 -22.259 313 HE2 GLU 21 HE2 GLU 21 12.419 -10.096 -24.697 314 H ARG 22 H ARG 22 9.358 -8.584 -17.347 315 HA ARG 22 HA ARG 22 9.705 -8.363 -15.150 316 HB2 ARG 22 1HB ARG 22 12.027 -10.233 -15.801 317 HB3 ARG 22 2HB ARG 22 11.272 -10.127 -14.246 318 HG2 ARG 22 1HG ARG 22 9.724 -11.099 -16.655 319 HG3 ARG 22 2HG ARG 22 10.541 -12.117 -15.436 320 HD2 ARG 22 1HD ARG 22 9.089 -11.261 -13.648 321 HD3 ARG 22 2HD ARG 22 8.388 -10.074 -14.755 322 HE ARG 22 HE ARG 22 7.910 -12.634 -15.857 323 HH11 ARG 22 1HH1 ARG 22 6.851 -10.758 -13.103 324 HH12 ARG 22 2HH1 ARG 22 5.322 -11.527 -13.039 325 HH21 ARG 22 1HH2 ARG 22 5.887 -13.562 -15.731 326 HH22 ARG 22 2HH2 ARG 22 4.782 -13.096 -14.486 327 H GLY 23 H GLY 23 10.733 -6.086 -16.039 328 HA2 GLY 23 1HA GLY 23 13.403 -5.729 -15.019 329 HA3 GLY 23 2HA GLY 23 12.393 -4.451 -15.734 330 H PHE 24 H PHE 24 11.208 -6.678 -13.285 331 HA PHE 24 HA PHE 24 11.426 -4.668 -11.205 332 HB2 PHE 24 1HB PHE 24 9.015 -4.601 -10.795 333 HB3 PHE 24 2HB PHE 24 9.279 -3.999 -12.422 334 HD1 PHE 24 HD1 PHE 24 8.936 -5.606 -14.419 335 HD2 PHE 24 HD2 PHE 24 7.544 -6.349 -10.389 336 HE1 PHE 24 HE1 PHE 24 7.365 -7.183 -15.316 337 HE2 PHE 24 HE2 PHE 24 5.912 -8.023 -11.322 338 HZ PHE 24 HZ PHE 24 5.838 -8.516 -13.779 339 H PHE 25 H PHE 25 10.383 -5.785 -9.198 340 HA PHE 25 HA PHE 25 10.835 -8.700 -9.394 341 HB2 PHE 25 1HB PHE 25 11.657 -6.840 -7.139 342 HB3 PHE 25 2HB PHE 25 11.876 -8.583 -7.153 343 HD1 PHE 25 HD2 PHE 25 12.960 -5.447 -8.753 344 HD2 PHE 25 HD1 PHE 25 13.709 -9.627 -8.262 345 HE1 PHE 25 HE2 PHE 25 15.131 -5.138 -9.941 346 HE2 PHE 25 HE1 PHE 25 15.893 -9.383 -9.493 347 HZ PHE 25 HZ PHE 25 16.616 -7.174 -10.301 348 H TYR 26 H TYR 26 9.910 -9.907 -7.722 349 HA TYR 26 HA TYR 26 7.137 -9.239 -7.097 350 HB2 TYR 26 1HB TYR 26 9.034 -11.484 -6.207 351 HB3 TYR 26 2HB TYR 26 7.305 -11.376 -5.828 352 HD1 TYR 26 HD2 TYR 26 5.658 -11.218 -7.865 353 HD2 TYR 26 HD1 TYR 26 9.648 -12.785 -8.084 354 HE1 TYR 26 HE2 TYR 26 5.112 -12.407 -10.016 355 HE2 TYR 26 HE1 TYR 26 9.036 -14.037 -10.162 356 HH TYR 26 HH TYR 26 5.749 -14.044 -11.491 357 H THR 27 H THR 27 10.282 -9.426 -5.431 358 HA THR 27 HA THR 27 9.570 -7.225 -3.730 359 HB THR 27 HB THR 27 8.559 -9.215 -2.464 360 HG1 THR 27 HG1 THR 27 9.005 -7.818 -0.974 361 HG21 THR 27 1HG2 THR 27 9.881 -10.857 -1.483 362 HG22 THR 27 2HG2 THR 27 11.374 -10.041 -1.874 363 HG23 THR 27 3HG2 THR 27 10.417 -10.789 -3.158 364 H LYS 28 H LYS 28 11.537 -6.708 -2.389 365 HA LYS 28 HA LYS 28 14.052 -7.942 -3.378 366 HB2 LYS 28 1HB LYS 28 13.410 -5.001 -3.421 367 HB3 LYS 28 2HB LYS 28 15.075 -5.572 -3.182 368 HG2 LYS 28 1HG LYS 28 15.043 -6.726 -5.269 369 HG3 LYS 28 2HG LYS 28 13.329 -6.358 -5.521 370 HD2 LYS 28 1HD LYS 28 14.721 -4.828 -6.872 371 HD3 LYS 28 2HD LYS 28 13.758 -3.964 -5.659 372 HE2 LYS 28 1HE LYS 28 15.945 -2.946 -5.697 373 HE3 LYS 28 2HE LYS 28 15.892 -3.863 -4.192 374 HZ1 LYS 28 3HZ LYS 28 17.967 -4.183 -5.515 375 HZ2 LYS 28 1HZ LYS 28 17.073 -4.950 -6.689 376 HZ3 LYS 28 2HZ LYS 28 17.219 -5.603 -5.209 377 HA PRO 29 HA PRO 29 14.715 -7.605 0.946 378 HB2 PRO 29 1HB PRO 29 17.285 -8.555 1.123 379 HB3 PRO 29 2HB PRO 29 15.855 -9.604 0.936 380 HG2 PRO 29 1HG PRO 29 17.837 -8.683 -1.088 381 HG3 PRO 29 2HG PRO 29 17.089 -10.272 -0.952 382 HD2 PRO 29 1HD PRO 29 16.283 -8.376 -2.748 383 HD3 PRO 29 2HD PRO 29 15.206 -9.651 -2.133 384 H THR 30 H THR 30 14.801 -5.362 1.428 385 HA THR 30 HA THR 30 17.462 -4.071 1.224 386 HB THR 30 HB THR 30 16.417 -3.540 -0.956 387 HG1 THR 30 HG1 THR 30 16.243 -1.067 0.161 388 HG21 THR 30 1HG2 THR 30 14.549 -2.027 -1.179 389 HG22 THR 30 2HG2 THR 30 14.260 -2.003 0.540 390 HG23 THR 30 3HG2 THR 30 13.957 -3.536 -0.389 391 HXT THR 30 H02 THR 30 17.563 -2.227 1.986 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 3.060 -2.664 -0.340 2 H2 GLY 1 2H GLY 1 4.085 -2.398 -1.565 3 HA2 GLY 1 1HA GLY 1 1.992 -0.621 -0.616 4 HA3 GLY 1 2HA GLY 1 3.622 -0.222 -1.215 5 H ILE 2 H ILE 2 3.206 -2.081 -3.515 6 HA ILE 2 HA ILE 2 2.307 -0.058 -5.383 7 HB ILE 2 HB ILE 2 2.319 -3.055 -5.956 8 HG12 ILE 2 1HG1 ILE 2 4.629 -1.031 -6.035 9 HG13 ILE 2 2HG1 ILE 2 4.476 -2.382 -4.914 10 HG21 ILE 2 1HG2 ILE 2 2.618 -2.389 -8.259 11 HG22 ILE 2 2HG2 ILE 2 1.250 -1.438 -7.648 12 HG23 ILE 2 3HG2 ILE 2 2.848 -0.665 -7.779 13 HD11 ILE 2 3HD1 ILE 2 4.492 -3.940 -6.957 14 HD12 ILE 2 1HD1 ILE 2 4.974 -2.533 -7.923 15 HD13 ILE 2 2HD1 ILE 2 6.025 -3.080 -6.576 16 H VAL 3 H VAL 3 0.611 -2.817 -3.918 17 HA VAL 3 HA VAL 3 -1.895 -2.336 -5.298 18 HB VAL 3 HB VAL 3 -2.890 -3.767 -3.560 19 HG11 VAL 3 1HG1 VAL 3 -1.511 -5.814 -4.056 20 HG12 VAL 3 2HG1 VAL 3 -1.886 -4.818 -5.482 21 HG13 VAL 3 3HG1 VAL 3 -0.280 -4.747 -4.737 22 HG21 VAL 3 3HG2 VAL 3 -1.374 -3.048 -1.584 23 HG22 VAL 3 1HG2 VAL 3 -1.571 -4.810 -1.743 24 HG23 VAL 3 2HG2 VAL 3 -0.066 -4.013 -2.334 25 H GLU 4 H GLU 4 -0.460 -1.092 -2.353 26 HA GLU 4 HA GLU 4 -2.862 0.005 -1.226 27 HB2 GLU 4 1HB GLU 4 0.068 0.658 -0.977 28 HB3 GLU 4 2HB GLU 4 -1.112 1.612 -0.169 29 HG2 GLU 4 1HG GLU 4 -1.202 -1.357 0.187 30 HG3 GLU 4 2HG GLU 4 -0.010 -0.364 1.055 31 HE2 GLU 4 HE2 GLU 4 -2.252 0.478 3.355 32 H GLN 5 H GLN 5 -0.421 1.256 -3.505 33 HA GLN 5 HA GLN 5 -1.815 3.834 -3.653 34 HB2 GLN 5 1HB GLN 5 0.708 3.505 -3.869 35 HB3 GLN 5 2HB GLN 5 0.408 2.733 -5.441 36 HG2 GLN 5 1HG GLN 5 1.024 5.109 -5.713 37 HG3 GLN 5 2HG GLN 5 -0.622 4.842 -6.258 38 HE21 GLN 5 2HE2 GLN 5 -2.220 5.998 -5.274 39 HE22 GLN 5 1HE2 GLN 5 -1.959 7.157 -3.980 40 H CYS 6 H CYS 6 -1.692 0.889 -5.683 41 HA CYS 6 HA CYS 6 -3.284 2.299 -7.743 42 HB2 CYS 6 1HB CYS 6 -1.344 0.106 -7.749 43 HB3 CYS 6 2HB CYS 6 -2.758 -0.192 -8.737 44 H CYS 7 H CYS 7 -3.923 -0.016 -5.224 45 HA CYS 7 HA CYS 7 -6.390 -0.906 -6.636 46 HB2 CYS 7 1HB CYS 7 -4.851 -2.251 -5.114 47 HB3 CYS 7 2HB CYS 7 -5.752 -1.458 -3.801 48 H THR 8 H THR 8 -5.330 1.875 -5.174 49 HA THR 8 HA THR 8 -8.167 2.562 -4.580 50 HB THR 8 HB THR 8 -6.691 2.791 -2.515 51 HG1 THR 8 HG1 THR 8 -7.526 4.774 -1.987 52 HG21 THR 8 1HG2 THR 8 -5.156 4.667 -2.386 53 HG22 THR 8 2HG2 THR 8 -5.432 5.083 -4.147 54 HG23 THR 8 3HG2 THR 8 -4.645 3.543 -3.661 55 H SER 9 H SER 9 -8.591 4.862 -5.173 56 HA SER 9 HA SER 9 -8.909 6.170 -7.046 57 HB2 SER 9 1HB SER 9 -5.889 6.200 -7.426 58 HB3 SER 9 2HB SER 9 -7.054 7.510 -7.681 59 HG SER 9 HG SER 9 -7.329 7.485 -5.333 60 H ILE 10 H ILE 10 -7.164 6.372 -9.513 61 HA ILE 10 HA ILE 10 -7.960 3.700 -10.651 62 HB ILE 10 HB ILE 10 -7.627 6.381 -12.078 63 HG12 ILE 10 1HG1 ILE 10 -9.651 6.480 -10.838 64 HG13 ILE 10 2HG1 ILE 10 -10.078 6.229 -12.509 65 HG21 ILE 10 1HG2 ILE 10 -8.553 3.637 -13.155 66 HG22 ILE 10 2HG2 ILE 10 -8.546 5.148 -14.099 67 HG23 ILE 10 3HG2 ILE 10 -7.019 4.458 -13.554 68 HD11 ILE 10 3HD1 ILE 10 -10.408 4.329 -10.178 69 HD12 ILE 10 1HD1 ILE 10 -11.614 4.845 -11.394 70 HD13 ILE 10 2HD1 ILE 10 -10.359 3.661 -11.824 71 H CYS 11 H CYS 11 -6.235 2.413 -10.983 72 HA CYS 11 HA CYS 11 -3.511 3.329 -10.818 73 HB2 CYS 11 1HB CYS 11 -4.338 1.014 -10.332 74 HB3 CYS 11 2HB CYS 11 -4.510 0.737 -12.086 75 H SER 12 H SER 12 -2.563 4.559 -12.296 76 HA SER 12 HA SER 12 -3.574 4.480 -15.110 77 HB2 SER 12 1HB SER 12 -1.824 6.537 -13.656 78 HB3 SER 12 2HB SER 12 -2.530 6.707 -15.279 79 HG SER 12 HG SER 12 -3.942 6.274 -12.785 80 H LEU 13 H LEU 13 -2.082 4.574 -16.925 81 HA LEU 13 HA LEU 13 -0.014 2.691 -16.816 82 HB2 LEU 13 1HB LEU 13 -0.385 4.879 -18.927 83 HB3 LEU 13 2HB LEU 13 0.675 3.514 -19.117 84 HG LEU 13 HG LEU 13 -2.403 3.421 -18.736 85 HD11 LEU 13 1HD1 LEU 13 -2.555 2.633 -21.035 86 HD12 LEU 13 2HD1 LEU 13 -0.782 2.694 -21.234 87 HD13 LEU 13 3HD1 LEU 13 -1.705 4.186 -20.980 88 HD21 LEU 13 3HD2 LEU 13 -2.069 0.923 -19.359 89 HD22 LEU 13 1HD2 LEU 13 -1.456 1.412 -17.746 90 HD23 LEU 13 2HD2 LEU 13 -0.340 1.155 -19.097 91 H TYR 14 H TYR 14 0.276 6.175 -16.570 92 HA TYR 14 HA TYR 14 3.054 6.434 -16.767 93 HB2 TYR 14 1HB TYR 14 1.294 8.339 -16.916 94 HB3 TYR 14 2HB TYR 14 0.970 8.152 -15.202 95 HD1 TYR 14 HD1 TYR 14 2.569 8.803 -13.569 96 HD2 TYR 14 HD2 TYR 14 3.403 9.267 -17.701 97 HE1 TYR 14 HE1 TYR 14 4.456 10.134 -12.948 98 HE2 TYR 14 HE2 TYR 14 5.818 9.881 -16.836 99 HH TYR 14 HH TYR 14 6.788 10.741 -13.795 100 H GLN 15 H GLN 15 0.872 5.854 -14.060 101 HA GLN 15 HA GLN 15 2.798 6.032 -11.910 102 HB2 GLN 15 1HB GLN 15 0.077 4.611 -12.152 103 HB3 GLN 15 2HB GLN 15 1.028 4.668 -10.667 104 HG2 GLN 15 1HG GLN 15 0.860 7.140 -10.555 105 HG3 GLN 15 2HG GLN 15 0.056 7.136 -12.142 106 HE21 GLN 15 2HE2 GLN 15 -0.541 7.530 -8.917 107 HE22 GLN 15 1HE2 GLN 15 -2.138 6.825 -8.824 108 H LEU 16 H LEU 16 1.340 3.326 -13.803 109 HA LEU 16 HA LEU 16 2.609 1.218 -12.536 110 HB2 LEU 16 1HB LEU 16 1.521 1.663 -15.329 111 HB3 LEU 16 2HB LEU 16 2.432 0.187 -14.983 112 HG LEU 16 HG LEU 16 0.114 1.004 -13.244 113 HD11 LEU 16 1HD1 LEU 16 -0.822 1.118 -15.478 114 HD12 LEU 16 2HD1 LEU 16 -1.449 -0.282 -14.666 115 HD13 LEU 16 3HD1 LEU 16 -0.164 -0.487 -15.880 116 HD21 LEU 16 3HD2 LEU 16 1.328 -0.835 -12.362 117 HD22 LEU 16 1HD2 LEU 16 1.300 -1.711 -13.912 118 HD23 LEU 16 2HD2 LEU 16 -0.208 -1.455 -12.980 119 H GLU 17 H GLU 17 3.884 3.173 -15.205 120 HA GLU 17 HA GLU 17 6.215 1.584 -15.593 121 HB2 GLU 17 1HB GLU 17 5.572 4.511 -16.117 122 HB3 GLU 17 2HB GLU 17 7.164 3.837 -16.431 123 HG2 GLU 17 1HG GLU 17 6.151 2.093 -17.839 124 HG3 GLU 17 2HG GLU 17 4.558 2.928 -17.688 125 HE2 GLU 17 HE2 GLU 17 5.464 2.608 -19.924 126 H ASN 18 H ASN 18 5.416 3.882 -12.997 127 HA ASN 18 HA ASN 18 8.255 4.372 -12.437 128 HB2 ASN 18 1HB ASN 18 5.794 4.793 -10.766 129 HB3 ASN 18 2HB ASN 18 7.400 5.022 -10.086 130 HD21 ASN 18 2HD2 ASN 18 4.974 6.685 -10.966 131 HD22 ASN 18 1HD2 ASN 18 5.742 8.024 -11.799 132 H TYR 19 H TYR 19 5.864 1.865 -11.604 133 HA TYR 19 HA TYR 19 7.657 0.737 -9.531 134 HB2 TYR 19 1HB TYR 19 5.197 -0.443 -10.889 135 HB3 TYR 19 2HB TYR 19 6.049 -1.105 -9.509 136 HD1 TYR 19 HD2 TYR 19 6.241 0.443 -7.370 137 HD2 TYR 19 HD1 TYR 19 3.517 1.178 -10.573 138 HE1 TYR 19 HE2 TYR 19 4.897 1.841 -5.857 139 HE2 TYR 19 HE1 TYR 19 2.125 2.578 -9.068 140 HH TYR 19 HH TYR 19 1.918 3.427 -6.884 141 H CYS 20 H CYS 20 7.746 0.735 -12.884 142 HA CYS 20 HA CYS 20 8.598 -2.004 -13.247 143 HB2 CYS 20 1HB CYS 20 7.545 -0.437 -14.987 144 HB3 CYS 20 2HB CYS 20 9.105 0.358 -15.093 145 H ASN 21 H ASN 21 9.918 0.952 -12.110 146 HA ASN 21 HA ASN 21 12.678 0.574 -13.047 147 HB2 ASN 21 1HB ASN 21 11.582 2.811 -12.553 148 HB3 ASN 21 2HB ASN 21 11.398 2.391 -10.839 149 HD21 ASN 21 2HD2 ASN 21 12.611 4.003 -10.028 150 HD22 ASN 21 1HD2 ASN 21 14.298 4.111 -10.260 151 HXT ASN 21 H02 ASN 21 12.318 -1.503 -12.208 152 H1 PHE 1 1H PHE 1 -5.457 -2.369 -23.886 153 H2 PHE 1 2H PHE 1 -6.530 -1.107 -24.003 154 HA PHE 1 HA PHE 1 -5.857 -2.504 -21.520 155 HB2 PHE 1 1HB PHE 1 -4.809 0.029 -22.867 156 HB3 PHE 1 2HB PHE 1 -4.681 -0.275 -21.132 157 HD1 PHE 1 HD2 PHE 1 -3.235 -2.012 -20.167 158 HD2 PHE 1 HD1 PHE 1 -3.277 -1.468 -24.378 159 HE1 PHE 1 HE2 PHE 1 -1.201 -3.388 -20.360 160 HE2 PHE 1 HE1 PHE 1 -1.288 -2.823 -24.604 161 HZ PHE 1 HZ PHE 1 -0.274 -3.801 -22.567 162 H VAL 2 H VAL 2 -7.012 -2.203 -19.942 163 HA VAL 2 HA VAL 2 -9.018 -0.044 -19.692 164 HB VAL 2 HB VAL 2 -9.232 -2.898 -18.520 165 HG11 VAL 2 1HG1 VAL 2 -11.550 -2.119 -17.942 166 HG12 VAL 2 2HG1 VAL 2 -10.249 -1.274 -17.056 167 HG13 VAL 2 3HG1 VAL 2 -11.060 -0.476 -18.415 168 HG21 VAL 2 3HG2 VAL 2 -10.701 -1.543 -20.833 169 HG22 VAL 2 1HG2 VAL 2 -9.550 -2.885 -20.933 170 HG23 VAL 2 2HG2 VAL 2 -11.122 -3.105 -20.131 171 H ASN 3 H ASN 3 -8.700 1.355 -18.043 172 HA ASN 3 HA ASN 3 -6.759 0.525 -15.910 173 HB2 ASN 3 1HB ASN 3 -7.413 3.244 -17.092 174 HB3 ASN 3 2HB ASN 3 -6.388 3.015 -15.656 175 HD21 ASN 3 2HD2 ASN 3 -4.350 2.089 -15.753 176 HD22 ASN 3 1HD2 ASN 3 -3.502 1.933 -17.343 177 H GLN 4 H GLN 4 -7.462 0.485 -13.913 178 HA GLN 4 HA GLN 4 -9.865 1.894 -13.077 179 HB2 GLN 4 1HB GLN 4 -10.233 -0.598 -14.254 180 HB3 GLN 4 2HB GLN 4 -10.126 -1.037 -12.548 181 HG2 GLN 4 1HG GLN 4 -12.228 -0.541 -12.289 182 HG3 GLN 4 2HG GLN 4 -11.876 1.174 -12.585 183 HE21 GLN 4 2HE2 GLN 4 -12.969 2.136 -14.201 184 HE22 GLN 4 1HE2 GLN 4 -13.736 1.300 -15.544 185 H HIS 5 H HIS 5 -10.261 0.380 -10.669 186 HA HIS 5 HA HIS 5 -7.759 0.767 -9.169 187 HB2 HIS 5 1HB HIS 5 -10.216 -0.925 -8.629 188 HB3 HIS 5 2HB HIS 5 -8.914 -0.587 -7.448 189 HD1 HIS 5 HD1 HIS 5 -9.363 1.191 -5.770 190 HD2 HIS 5 HD2 HIS 5 -11.416 1.779 -9.400 191 HE1 HIS 5 HE1 HIS 5 -10.891 3.273 -5.466 192 HE2 HIS 5 H01 HIS 5 -12.147 3.551 -7.654 193 H LEU 6 H LEU 6 -6.126 -0.804 -8.927 194 HA LEU 6 HA LEU 6 -6.759 -3.492 -10.140 195 HB2 LEU 6 1HB LEU 6 -4.194 -1.934 -10.403 196 HB3 LEU 6 2HB LEU 6 -4.348 -3.628 -10.859 197 HG LEU 6 HG LEU 6 -5.778 -1.277 -12.171 198 HD11 LEU 6 1HD1 LEU 6 -3.218 -1.575 -12.525 199 HD12 LEU 6 2HD1 LEU 6 -4.187 -1.538 -13.974 200 HD13 LEU 6 3HD1 LEU 6 -3.614 -3.095 -13.370 201 HD21 LEU 6 3HD2 LEU 6 -5.663 -4.203 -12.957 202 HD22 LEU 6 1HD2 LEU 6 -6.447 -2.856 -13.879 203 HD23 LEU 6 2HD2 LEU 6 -7.130 -3.349 -12.295 204 H CYS 7 H CYS 7 -6.363 -5.174 -8.864 205 HA CYS 7 HA CYS 7 -4.427 -4.847 -6.613 206 HB2 CYS 7 1HB CYS 7 -7.341 -5.390 -6.581 207 HB3 CYS 7 2HB CYS 7 -6.427 -6.727 -5.890 208 H AIB 8 H AIB 8 -3.627 -6.889 -5.783 209 HB11 AIB 8 1HB1 AIB 8 -4.926 -9.257 -5.389 210 HB12 AIB 8 3HB1 AIB 8 -4.066 -10.679 -6.083 211 HB13 AIB 8 1HB2 AIB 8 -5.229 -9.732 -7.093 212 HB21 AIB 8 3HB2 AIB 8 -1.511 -8.080 -5.753 213 HB22 AIB 8 2HB1 AIB 8 -1.526 -9.782 -5.993 214 HB23 AIB 8 2HB2 AIB 8 -2.496 -9.065 -4.688 215 H SER 9 H SER 9 -3.417 -10.981 -8.048 216 HA SER 9 HA SER 9 -1.340 -11.003 -9.835 217 HB2 SER 9 1HB SER 9 -2.851 -12.950 -9.343 218 HB3 SER 9 2HB SER 9 -4.101 -12.282 -10.429 219 HG SER 9 HG SER 9 -2.757 -13.791 -11.483 220 H HIS 10 H HIS 10 -4.458 -9.367 -10.357 221 HA HIS 10 HA HIS 10 -4.151 -8.914 -13.170 222 HB2 HIS 10 1HB HIS 10 -5.534 -6.983 -11.239 223 HB3 HIS 10 2HB HIS 10 -5.891 -7.358 -12.942 224 HD1 HIS 10 HD1 HIS 10 -6.466 -10.183 -13.149 225 HD2 HIS 10 HD2 HIS 10 -7.263 -8.181 -9.559 226 HE1 HIS 10 HE1 HIS 10 -8.109 -11.632 -11.838 227 HE2 HIS 10 H01 HIS 10 -8.660 -10.377 -9.717 228 H LEU 11 H LEU 11 -3.117 -7.000 -10.356 229 HA LEU 11 HA LEU 11 -2.109 -4.783 -11.870 230 HB2 LEU 11 1HB LEU 11 -2.706 -5.167 -9.328 231 HB3 LEU 11 2HB LEU 11 -1.053 -5.683 -9.225 232 HG LEU 11 HG LEU 11 -2.015 -2.910 -9.941 233 HD11 LEU 11 1HD1 LEU 11 -0.946 -2.379 -7.824 234 HD12 LEU 11 2HD1 LEU 11 -0.485 -4.066 -7.601 235 HD13 LEU 11 3HD1 LEU 11 -2.206 -3.617 -7.634 236 HD21 LEU 11 3HD2 LEU 11 0.105 -3.314 -11.208 237 HD22 LEU 11 1HD2 LEU 11 0.898 -3.792 -9.669 238 HD23 LEU 11 2HD2 LEU 11 0.287 -2.134 -9.926 239 H VAL 12 H VAL 12 -0.770 -7.858 -10.518 240 HA VAL 12 HA VAL 12 1.939 -7.284 -11.291 241 HB VAL 12 HB VAL 12 0.492 -9.945 -11.059 242 HG11 VAL 12 1HG1 VAL 12 3.441 -9.295 -11.337 243 HG12 VAL 12 2HG1 VAL 12 2.821 -10.865 -10.723 244 HG13 VAL 12 3HG1 VAL 12 2.454 -10.335 -12.378 245 HG21 VAL 12 3HG2 VAL 12 2.115 -8.216 -9.138 246 HG22 VAL 12 1HG2 VAL 12 0.454 -8.826 -8.931 247 HG23 VAL 12 2HG2 VAL 12 1.833 -9.952 -8.852 248 H GLU 13 H GLU 13 -0.715 -8.851 -13.163 249 HA GLU 13 HA GLU 13 0.918 -9.457 -15.409 250 HB2 GLU 13 1HB GLU 13 -1.311 -10.458 -14.881 251 HB3 GLU 13 2HB GLU 13 -2.070 -8.920 -15.367 252 HG2 GLU 13 1HG GLU 13 -1.983 -9.471 -17.540 253 HG3 GLU 13 2HG GLU 13 -0.266 -9.956 -17.444 254 HE2 GLU 13 HE2 GLU 13 0.070 -11.895 -16.375 255 H ALA 14 H ALA 14 -1.121 -6.569 -14.605 256 HA ALA 14 HA ALA 14 -0.660 -5.263 -17.109 257 HB1 ALA 14 3HB ALA 14 -0.989 -3.871 -14.402 258 HB2 ALA 14 1HB ALA 14 -1.456 -3.291 -16.012 259 HB3 ALA 14 2HB ALA 14 -2.318 -4.641 -15.267 260 H LEU 15 H LEU 15 1.240 -5.315 -14.038 261 HA LEU 15 HA LEU 15 3.168 -3.367 -14.906 262 HB2 LEU 15 1HB LEU 15 2.684 -5.018 -12.639 263 HB3 LEU 15 2HB LEU 15 4.310 -5.449 -13.176 264 HG LEU 15 HG LEU 15 3.380 -2.721 -12.263 265 HD11 LEU 15 1HD1 LEU 15 5.166 -3.173 -10.552 266 HD12 LEU 15 2HD1 LEU 15 5.294 -4.806 -11.190 267 HD13 LEU 15 3HD1 LEU 15 3.783 -4.264 -10.468 268 HD21 LEU 15 3HD2 LEU 15 5.949 -3.569 -13.656 269 HD22 LEU 15 1HD2 LEU 15 5.927 -2.177 -12.565 270 HD23 LEU 15 2HD2 LEU 15 4.910 -2.204 -14.004 271 H TYR 16 H TYR 16 3.167 -6.956 -15.268 272 HA TYR 16 HA TYR 16 5.642 -7.176 -16.625 273 HB2 TYR 16 1HB TYR 16 4.255 -9.070 -15.732 274 HB3 TYR 16 2HB TYR 16 3.099 -8.828 -17.047 275 HD1 TYR 16 HD1 TYR 16 6.803 -9.281 -16.542 276 HD2 TYR 16 HD2 TYR 16 3.305 -10.183 -18.925 277 HE1 TYR 16 HE1 TYR 16 8.171 -10.711 -17.992 278 HE2 TYR 16 HE2 TYR 16 4.712 -11.652 -20.383 279 HH TYR 16 HH TYR 16 8.209 -12.212 -19.640 280 H LEU 17 H LEU 17 2.354 -6.552 -17.910 281 HA LEU 17 HA LEU 17 3.065 -6.589 -20.701 282 HB2 LEU 17 1HB LEU 17 0.877 -5.221 -19.106 283 HB3 LEU 17 2HB LEU 17 1.042 -5.016 -20.846 284 HG LEU 17 HG LEU 17 0.758 -7.760 -19.560 285 HD11 LEU 17 1HD1 LEU 17 -1.694 -7.474 -20.397 286 HD12 LEU 17 2HD1 LEU 17 -1.361 -5.734 -20.353 287 HD13 LEU 17 3HD1 LEU 17 -1.252 -6.695 -18.882 288 HD21 LEU 17 3HD2 LEU 17 -0.071 -8.327 -21.864 289 HD22 LEU 17 1HD2 LEU 17 1.625 -7.832 -21.835 290 HD23 LEU 17 2HD2 LEU 17 0.371 -6.671 -22.372 291 H VAL 18 H VAL 18 2.983 -4.005 -18.327 292 HA VAL 18 HA VAL 18 3.651 -1.874 -20.117 293 HB VAL 18 HB VAL 18 3.864 -2.312 -17.103 294 HG11 VAL 18 1HG1 VAL 18 4.582 0.213 -18.577 295 HG12 VAL 18 2HG1 VAL 18 4.201 0.158 -16.844 296 HG13 VAL 18 3HG1 VAL 18 5.622 -0.728 -17.479 297 HG21 VAL 18 3HG2 VAL 18 2.116 -0.238 -18.534 298 HG22 VAL 18 1HG2 VAL 18 1.564 -1.922 -18.321 299 HG23 VAL 18 2HG2 VAL 18 1.917 -0.928 -16.893 300 H CYS 19 H CYS 19 5.700 -4.047 -18.091 301 HA CYS 19 HA CYS 19 8.182 -2.673 -18.862 302 HB2 CYS 19 1HB CYS 19 7.607 -5.229 -17.311 303 HB3 CYS 19 2HB CYS 19 9.171 -4.479 -17.440 304 H GLY 20 H GLY 20 6.226 -5.123 -20.268 305 HA2 GLY 20 1HA GLY 20 6.649 -6.499 -22.019 306 HA3 GLY 20 2HA GLY 20 8.298 -5.732 -22.194 307 H GLU 21 H GLU 21 9.093 -7.965 -22.518 308 HA GLU 21 HA GLU 21 8.819 -9.853 -20.284 309 HB2 GLU 21 1HB GLU 21 10.562 -9.971 -22.742 310 HB3 GLU 21 2HB GLU 21 10.361 -11.272 -21.576 311 HG2 GLU 21 1HG GLU 21 7.914 -11.251 -22.029 312 HG3 GLU 21 2HG GLU 21 8.230 -10.161 -23.371 313 HE2 GLU 21 HE2 GLU 21 8.865 -13.954 -23.808 314 H ARG 22 H ARG 22 10.489 -7.033 -20.268 315 HA ARG 22 HA ARG 22 13.138 -8.039 -19.422 316 HB2 ARG 22 1HB ARG 22 11.770 -5.324 -19.306 317 HB3 ARG 22 2HB ARG 22 13.381 -5.571 -18.670 318 HG2 ARG 22 1HG ARG 22 14.155 -4.989 -20.658 319 HG3 ARG 22 2HG ARG 22 13.686 -6.611 -21.243 320 HD2 ARG 22 1HD ARG 22 12.750 -5.031 -22.843 321 HD3 ARG 22 2HD ARG 22 11.400 -5.593 -21.895 322 HE ARG 22 HE ARG 22 12.507 -3.263 -20.689 323 HH11 ARG 22 1HH1 ARG 22 10.391 -4.145 -23.423 324 HH12 ARG 22 2HH1 ARG 22 9.579 -2.576 -23.351 325 HH21 ARG 22 1HH2 ARG 22 11.473 -1.349 -20.666 326 HH22 ARG 22 2HH2 ARG 22 10.201 -1.041 -21.862 327 H GLY 23 H GLY 23 10.047 -7.254 -17.930 328 HA2 GLY 23 1HA GLY 23 9.453 -7.843 -15.659 329 HA3 GLY 23 2HA GLY 23 11.141 -8.238 -15.327 330 H PHE 24 H PHE 24 10.219 -7.198 -13.314 331 HA PHE 24 HA PHE 24 10.941 -4.291 -13.243 332 HB2 PHE 24 1HB PHE 24 8.864 -3.959 -11.852 333 HB3 PHE 24 2HB PHE 24 8.623 -4.258 -13.565 334 HD1 PHE 24 HD1 PHE 24 8.467 -5.831 -10.188 335 HD2 PHE 24 HD2 PHE 24 7.307 -6.084 -14.339 336 HE1 PHE 24 HE1 PHE 24 6.962 -7.737 -9.625 337 HE2 PHE 24 HE2 PHE 24 5.768 -8.038 -13.791 338 HZ PHE 24 HZ PHE 24 5.639 -8.849 -11.418 339 H PHE 25 H PHE 25 12.067 -6.989 -12.189 340 HA PHE 25 HA PHE 25 11.740 -6.570 -9.260 341 HB2 PHE 25 1HB PHE 25 13.273 -8.709 -10.786 342 HB3 PHE 25 2HB PHE 25 12.917 -8.755 -9.101 343 HD1 PHE 25 HD2 PHE 25 10.566 -9.091 -8.224 344 HD2 PHE 25 HD1 PHE 25 11.441 -9.289 -12.473 345 HE1 PHE 25 HE2 PHE 25 8.392 -10.169 -8.662 346 HE2 PHE 25 HE1 PHE 25 9.210 -10.338 -12.859 347 HZ PHE 25 HZ PHE 25 7.740 -10.838 -10.952 348 H TYR 26 H TYR 26 13.203 -5.852 -7.865 349 HA TYR 26 HA TYR 26 15.801 -4.848 -8.797 350 HB2 TYR 26 1HB TYR 26 14.678 -3.708 -7.006 351 HB3 TYR 26 2HB TYR 26 14.384 -5.228 -6.113 352 HD1 TYR 26 HD1 TYR 26 17.381 -3.327 -7.549 353 HD2 TYR 26 HD2 TYR 26 15.778 -5.632 -4.242 354 HE1 TYR 26 HE1 TYR 26 19.550 -3.089 -6.313 355 HE2 TYR 26 HE2 TYR 26 17.927 -5.383 -3.024 356 HH TYR 26 HH TYR 26 20.043 -4.507 -3.073 357 H THR 27 H THR 27 14.394 -7.374 -6.655 358 HA THR 27 HA THR 27 16.382 -9.286 -7.733 359 HB THR 27 HB THR 27 16.799 -10.226 -5.435 360 HG1 THR 27 HG1 THR 27 14.876 -9.065 -4.574 361 HG21 THR 27 1HG2 THR 27 17.616 -7.269 -5.587 362 HG22 THR 27 2HG2 THR 27 18.462 -8.599 -6.427 363 HG23 THR 27 3HG2 THR 27 18.437 -8.555 -4.655 364 H LYS 28 H LYS 28 15.555 -11.362 -7.857 365 HA LYS 28 HA LYS 28 12.645 -11.621 -7.330 366 HB2 LYS 28 1HB LYS 28 14.284 -12.595 -9.291 367 HB3 LYS 28 2HB LYS 28 14.328 -13.929 -8.166 368 HG2 LYS 28 1HG LYS 28 11.755 -12.709 -9.235 369 HG3 LYS 28 2HG LYS 28 12.595 -14.039 -10.051 370 HD2 LYS 28 1HD LYS 28 12.354 -15.404 -7.803 371 HD3 LYS 28 2HD LYS 28 11.325 -14.048 -7.240 372 HE2 LYS 28 1HE LYS 28 10.885 -15.838 -9.616 373 HE3 LYS 28 2HE LYS 28 9.975 -15.891 -8.125 374 HZ1 LYS 28 3HZ LYS 28 8.805 -14.011 -8.732 375 HZ2 LYS 28 1HZ LYS 28 9.099 -14.586 -10.266 376 HZ3 LYS 28 2HZ LYS 28 10.023 -13.409 -9.675 377 HA PRO 29 HA PRO 29 14.296 -12.782 -3.310 378 HB2 PRO 29 1HB PRO 29 11.548 -13.871 -2.756 379 HB3 PRO 29 2HB PRO 29 12.455 -12.672 -1.816 380 HG2 PRO 29 1HG PRO 29 10.372 -11.871 -3.315 381 HG3 PRO 29 2HG PRO 29 11.818 -10.878 -3.187 382 HD2 PRO 29 1HD PRO 29 10.979 -12.747 -5.426 383 HD3 PRO 29 2HD PRO 29 11.718 -11.109 -5.514 384 H THR 30 H THR 30 15.583 -14.451 -3.259 385 HA THR 30 HA THR 30 14.551 -17.183 -3.181 386 HB THR 30 HB THR 30 14.885 -16.761 -5.609 387 HG1 THR 30 HG1 THR 30 16.691 -18.557 -5.628 388 HG21 THR 30 1HG2 THR 30 16.825 -15.215 -5.643 389 HG22 THR 30 2HG2 THR 30 17.234 -16.695 -6.501 390 HG23 THR 30 3HG2 THR 30 17.803 -16.447 -4.873 391 HXT THR 30 H02 THR 30 16.195 -18.549 -2.757 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 1.196 0.437 -0.308 2 H2 GLY 1 2H GLY 1 1.692 1.966 -0.577 3 HA2 GLY 1 1HA GLY 1 3.570 1.264 -1.864 4 HA3 GLY 1 2HA GLY 1 3.178 -0.448 -1.466 5 H ILE 2 H ILE 2 3.526 -0.540 -3.943 6 HA ILE 2 HA ILE 2 1.740 0.800 -5.730 7 HB ILE 2 HB ILE 2 2.766 -2.058 -6.219 8 HG12 ILE 2 1HG1 ILE 2 4.469 0.434 -6.586 9 HG13 ILE 2 2HG1 ILE 2 4.641 -0.678 -5.211 10 HG21 ILE 2 1HG2 ILE 2 1.300 -0.796 -8.026 11 HG22 ILE 2 2HG2 ILE 2 2.681 0.305 -8.266 12 HG23 ILE 2 3HG2 ILE 2 2.822 -1.437 -8.613 13 HD11 ILE 2 3HD1 ILE 2 5.140 -1.306 -8.122 14 HD12 ILE 2 1HD1 ILE 2 6.314 -1.176 -6.814 15 HD13 ILE 2 2HD1 ILE 2 5.147 -2.536 -6.798 16 H VAL 3 H VAL 3 1.413 -2.406 -4.192 17 HA VAL 3 HA VAL 3 -0.970 -3.107 -5.459 18 HB VAL 3 HB VAL 3 -0.050 -3.791 -2.619 19 HG11 VAL 3 1HG1 VAL 3 -2.134 -5.076 -4.467 20 HG12 VAL 3 2HG1 VAL 3 -1.466 -5.863 -2.988 21 HG13 VAL 3 3HG1 VAL 3 -2.386 -4.298 -2.834 22 HG21 VAL 3 3HG2 VAL 3 0.567 -5.070 -5.297 23 HG22 VAL 3 1HG2 VAL 3 1.698 -4.590 -3.999 24 HG23 VAL 3 2HG2 VAL 3 0.627 -5.980 -3.778 25 H GLU 4 H GLU 4 -0.437 -1.488 -2.265 26 HA GLU 4 HA GLU 4 -3.275 -1.301 -1.744 27 HB2 GLU 4 1HB GLU 4 -0.848 -0.041 -0.528 28 HB3 GLU 4 2HB GLU 4 -2.399 0.676 -0.201 29 HG2 GLU 4 1HG GLU 4 -3.208 -1.510 0.644 30 HG3 GLU 4 2HG GLU 4 -1.541 -2.190 0.372 31 HE2 GLU 4 HE2 GLU 4 -2.312 -0.283 3.674 32 H GLN 5 H GLN 5 -0.997 1.084 -3.249 33 HA GLN 5 HA GLN 5 -3.005 3.121 -3.210 34 HB2 GLN 5 1HB GLN 5 -1.458 4.408 -4.450 35 HB3 GLN 5 2HB GLN 5 -0.512 3.441 -3.388 36 HG2 GLN 5 1HG GLN 5 -0.051 1.897 -5.275 37 HG3 GLN 5 2HG GLN 5 -0.890 2.968 -6.380 38 HE21 GLN 5 2HE2 GLN 5 0.593 3.854 -7.551 39 HE22 GLN 5 1HE2 GLN 5 2.085 4.507 -6.959 40 H CYS 6 H CYS 6 -2.185 0.627 -5.648 41 HA CYS 6 HA CYS 6 -4.103 1.799 -7.543 42 HB2 CYS 6 1HB CYS 6 -2.622 -0.823 -7.440 43 HB3 CYS 6 2HB CYS 6 -3.660 -0.351 -8.812 44 H CYS 7 H CYS 7 -4.405 -0.575 -4.904 45 HA CYS 7 HA CYS 7 -6.851 -1.697 -6.073 46 HB2 CYS 7 1HB CYS 7 -5.581 -1.885 -3.305 47 HB3 CYS 7 2HB CYS 7 -7.072 -2.693 -3.733 48 H THR 8 H THR 8 -6.034 0.696 -3.534 49 HA THR 8 HA THR 8 -8.856 1.038 -2.928 50 HB THR 8 HB THR 8 -6.766 1.155 -1.396 51 HG1 THR 8 HG1 THR 8 -7.987 2.713 -0.104 52 HG21 THR 8 1HG2 THR 8 -5.828 3.303 -1.024 53 HG22 THR 8 2HG2 THR 8 -6.869 4.030 -2.254 54 HG23 THR 8 3HG2 THR 8 -5.605 2.916 -2.759 55 H SER 9 H SER 9 -6.718 2.470 -5.308 56 HA SER 9 HA SER 9 -8.851 4.388 -5.910 57 HB2 SER 9 1HB SER 9 -6.001 5.186 -5.400 58 HB3 SER 9 2HB SER 9 -7.271 6.254 -6.030 59 HG SER 9 HG SER 9 -8.250 5.102 -3.882 60 H ILE 10 H ILE 10 -8.482 5.460 -8.167 61 HA ILE 10 HA ILE 10 -7.468 3.362 -9.966 62 HB ILE 10 HB ILE 10 -8.314 6.248 -10.618 63 HG12 ILE 10 1HG1 ILE 10 -10.114 4.583 -11.857 64 HG13 ILE 10 2HG1 ILE 10 -9.725 3.617 -10.429 65 HG21 ILE 10 1HG2 ILE 10 -6.763 5.440 -12.335 66 HG22 ILE 10 2HG2 ILE 10 -7.574 3.869 -12.393 67 HG23 ILE 10 3HG2 ILE 10 -8.409 5.335 -12.986 68 HD11 ILE 10 3HD1 ILE 10 -10.647 6.469 -10.258 69 HD12 ILE 10 1HD1 ILE 10 -11.730 5.049 -10.171 70 HD13 ILE 10 2HD1 ILE 10 -10.481 5.288 -8.924 71 H CYS 11 H CYS 11 -5.498 3.187 -10.721 72 HA CYS 11 HA CYS 11 -3.583 5.437 -10.513 73 HB2 CYS 11 1HB CYS 11 -1.795 4.049 -9.715 74 HB3 CYS 11 2HB CYS 11 -3.182 3.556 -8.766 75 H SER 12 H SER 12 -1.793 5.040 -12.296 76 HA SER 12 HA SER 12 -3.041 3.549 -14.569 77 HB2 SER 12 1HB SER 12 -1.997 6.270 -15.065 78 HB3 SER 12 2HB SER 12 -3.200 5.314 -15.955 79 HG SER 12 HG SER 12 -4.538 6.585 -14.815 80 H LEU 13 H LEU 13 -1.742 3.639 -16.570 81 HA LEU 13 HA LEU 13 0.460 2.132 -16.100 82 HB2 LEU 13 1HB LEU 13 -0.338 3.519 -18.669 83 HB3 LEU 13 2HB LEU 13 0.928 2.256 -18.525 84 HG LEU 13 HG LEU 13 -1.021 1.073 -19.245 85 HD11 LEU 13 1HD1 LEU 13 -1.226 0.405 -16.317 86 HD12 LEU 13 2HD1 LEU 13 0.279 0.143 -17.325 87 HD13 LEU 13 3HD1 LEU 13 -1.232 -0.649 -17.790 88 HD21 LEU 13 3HD2 LEU 13 -2.651 2.976 -18.507 89 HD22 LEU 13 1HD2 LEU 13 -2.856 1.893 -17.073 90 HD23 LEU 13 2HD2 LEU 13 -3.187 1.320 -18.667 91 H TYR 14 H TYR 14 0.324 5.517 -16.916 92 HA TYR 14 HA TYR 14 3.088 5.931 -17.371 93 HB2 TYR 14 1HB TYR 14 1.243 7.641 -17.781 94 HB3 TYR 14 2HB TYR 14 1.068 7.936 -16.104 95 HD1 TYR 14 HD1 TYR 14 3.506 8.185 -18.817 96 HD2 TYR 14 HD2 TYR 14 2.556 9.226 -14.821 97 HE1 TYR 14 HE1 TYR 14 5.308 9.707 -18.928 98 HE2 TYR 14 HE2 TYR 14 4.018 11.284 -15.367 99 HH TYR 14 HH TYR 14 6.644 11.353 -16.283 100 H GLN 15 H GLN 15 1.267 6.075 -14.310 101 HA GLN 15 HA GLN 15 3.654 6.543 -12.731 102 HB2 GLN 15 1HB GLN 15 0.976 5.313 -11.928 103 HB3 GLN 15 2HB GLN 15 2.250 5.910 -10.820 104 HG2 GLN 15 1HG GLN 15 1.141 7.815 -10.808 105 HG3 GLN 15 2HG GLN 15 1.763 8.074 -12.447 106 HE21 GLN 15 2HE2 GLN 15 -0.996 7.874 -10.592 107 HE22 GLN 15 1HE2 GLN 15 -2.133 7.718 -11.892 108 H LEU 16 H LEU 16 1.944 3.510 -13.765 109 HA LEU 16 HA LEU 16 3.401 1.697 -12.130 110 HB2 LEU 16 1HB LEU 16 1.642 1.619 -14.436 111 HB3 LEU 16 2HB LEU 16 2.890 0.396 -14.545 112 HG LEU 16 HG LEU 16 2.201 -0.463 -12.297 113 HD11 LEU 16 1HD1 LEU 16 -0.092 1.530 -12.494 114 HD12 LEU 16 2HD1 LEU 16 1.153 1.457 -11.228 115 HD13 LEU 16 3HD1 LEU 16 -0.051 0.135 -11.381 116 HD21 LEU 16 3HD2 LEU 16 0.118 -1.568 -13.131 117 HD22 LEU 16 1HD2 LEU 16 1.234 -1.370 -14.503 118 HD23 LEU 16 2HD2 LEU 16 -0.154 -0.271 -14.294 119 H GLU 17 H GLU 17 4.344 3.173 -15.170 120 HA GLU 17 HA GLU 17 6.611 1.534 -15.723 121 HB2 GLU 17 1HB GLU 17 5.827 4.352 -16.486 122 HB3 GLU 17 2HB GLU 17 7.483 3.727 -16.812 123 HG2 GLU 17 1HG GLU 17 6.242 1.704 -17.816 124 HG3 GLU 17 2HG GLU 17 4.792 2.754 -17.842 125 HE2 GLU 17 HE2 GLU 17 6.715 2.793 -20.971 126 H ASN 18 H ASN 18 6.128 4.199 -13.358 127 HA ASN 18 HA ASN 18 8.943 4.616 -13.063 128 HB2 ASN 18 1HB ASN 18 6.694 5.311 -11.189 129 HB3 ASN 18 2HB ASN 18 8.379 5.772 -10.961 130 HD21 ASN 18 2HD2 ASN 18 5.912 7.373 -11.517 131 HD22 ASN 18 1HD2 ASN 18 6.423 8.426 -12.795 132 H TYR 19 H TYR 19 7.040 1.956 -12.091 133 HA TYR 19 HA TYR 19 8.845 1.402 -9.736 134 HB2 TYR 19 1HB TYR 19 6.275 0.127 -10.779 135 HB3 TYR 19 2HB TYR 19 7.177 -0.465 -9.359 136 HD1 TYR 19 HD1 TYR 19 7.493 1.125 -7.350 137 HD2 TYR 19 HD2 TYR 19 4.725 1.963 -10.592 138 HE1 TYR 19 HE1 TYR 19 6.419 2.943 -6.022 139 HE2 TYR 19 HE2 TYR 19 3.700 3.792 -9.235 140 HH TYR 19 HH TYR 19 4.813 4.558 -5.905 141 H CYS 20 H CYS 20 9.122 1.199 -12.884 142 HA CYS 20 HA CYS 20 10.672 -1.271 -12.997 143 HB2 CYS 20 1HB CYS 20 8.132 -1.713 -13.478 144 HB3 CYS 20 2HB CYS 20 8.431 -0.926 -15.008 145 H ASN 21 H ASN 21 10.137 -0.859 -16.122 146 HA ASN 21 HA ASN 21 12.035 1.441 -16.402 147 HB2 ASN 21 1HB ASN 21 12.634 -0.525 -17.798 148 HB3 ASN 21 2HB ASN 21 11.005 -0.539 -18.490 149 HD21 ASN 21 2HD2 ASN 21 11.476 -0.092 -20.627 150 HD22 ASN 21 1HD2 ASN 21 12.284 1.311 -21.171 151 HXT ASN 21 H02 ASN 21 11.349 3.135 -16.777 152 H1 PHE 1 1H PHE 1 -6.468 0.885 -22.845 153 H2 PHE 1 2H PHE 1 -7.782 -0.013 -22.992 154 HA PHE 1 HA PHE 1 -7.242 -1.101 -20.796 155 HB2 PHE 1 1HB PHE 1 -4.958 0.464 -21.148 156 HB3 PHE 1 2HB PHE 1 -5.960 1.419 -20.056 157 HD1 PHE 1 HD2 PHE 1 -4.167 -1.816 -20.615 158 HD2 PHE 1 HD1 PHE 1 -6.315 0.557 -17.709 159 HE1 PHE 1 HE2 PHE 1 -3.402 -3.301 -18.873 160 HE2 PHE 1 HE1 PHE 1 -5.603 -0.949 -15.953 161 HZ PHE 1 HZ PHE 1 -4.174 -2.879 -16.492 162 H VAL 2 H VAL 2 -8.180 -0.177 -18.818 163 HA VAL 2 HA VAL 2 -10.054 2.077 -19.444 164 HB VAL 2 HB VAL 2 -11.266 -0.104 -19.610 165 HG11 VAL 2 1HG1 VAL 2 -11.538 -1.663 -17.872 166 HG12 VAL 2 2HG1 VAL 2 -9.800 -1.400 -17.982 167 HG13 VAL 2 3HG1 VAL 2 -10.700 -0.589 -16.687 168 HG21 VAL 2 3HG2 VAL 2 -13.132 0.378 -18.039 169 HG22 VAL 2 1HG2 VAL 2 -12.057 1.506 -17.139 170 HG23 VAL 2 2HG2 VAL 2 -12.544 1.880 -18.806 171 H ASN 3 H ASN 3 -10.553 3.506 -17.700 172 HA ASN 3 HA ASN 3 -8.353 3.499 -15.674 173 HB2 ASN 3 1HB ASN 3 -10.505 5.513 -16.418 174 HB3 ASN 3 2HB ASN 3 -9.482 5.653 -14.986 175 HD21 ASN 3 2HD2 ASN 3 -9.823 7.193 -17.536 176 HD22 ASN 3 1HD2 ASN 3 -8.224 7.362 -18.162 177 H GLN 4 H GLN 4 -8.984 1.629 -14.442 178 HA GLN 4 HA GLN 4 -11.113 2.366 -12.433 179 HB2 GLN 4 1HB GLN 4 -10.912 -0.211 -14.038 180 HB3 GLN 4 2HB GLN 4 -11.591 -0.199 -12.386 181 HG2 GLN 4 1HG GLN 4 -13.219 1.586 -13.193 182 HG3 GLN 4 2HG GLN 4 -12.686 1.191 -14.846 183 HE21 GLN 4 2HE2 GLN 4 -14.255 -0.113 -11.904 184 HE22 GLN 4 1HE2 GLN 4 -15.066 -1.443 -12.700 185 H HIS 5 H HIS 5 -10.820 0.475 -10.583 186 HA HIS 5 HA HIS 5 -8.120 1.068 -9.646 187 HB2 HIS 5 1HB HIS 5 -10.238 -0.908 -8.615 188 HB3 HIS 5 2HB HIS 5 -8.709 -0.464 -7.805 189 HD1 HIS 5 HD1 HIS 5 -9.859 0.554 -5.721 190 HD2 HIS 5 HD2 HIS 5 -11.204 2.210 -9.323 191 HE1 HIS 5 HE1 HIS 5 -11.192 2.660 -5.162 192 HE2 HIS 5 H01 HIS 5 -12.065 3.592 -7.328 193 H LEU 6 H LEU 6 -6.482 -0.527 -9.250 194 HA LEU 6 HA LEU 6 -6.730 -2.941 -10.938 195 HB2 LEU 6 1HB LEU 6 -4.260 -1.260 -10.559 196 HB3 LEU 6 2HB LEU 6 -4.259 -2.838 -11.282 197 HG LEU 6 HG LEU 6 -5.917 -1.868 -13.020 198 HD11 LEU 6 1HD1 LEU 6 -5.696 0.413 -13.572 199 HD12 LEU 6 2HD1 LEU 6 -4.329 0.677 -12.483 200 HD13 LEU 6 3HD1 LEU 6 -5.977 0.438 -11.855 201 HD21 LEU 6 3HD2 LEU 6 -3.972 -1.295 -14.436 202 HD22 LEU 6 1HD2 LEU 6 -3.747 -2.774 -13.527 203 HD23 LEU 6 2HD2 LEU 6 -2.943 -1.281 -12.981 204 H CYS 7 H CYS 7 -6.823 -4.651 -9.610 205 HA CYS 7 HA CYS 7 -4.996 -4.776 -7.298 206 HB2 CYS 7 1HB CYS 7 -7.554 -4.129 -6.863 207 HB3 CYS 7 2HB CYS 7 -7.790 -5.864 -6.925 208 H AIB 8 H AIB 8 -5.388 -7.039 -6.295 209 HB11 AIB 8 1HB1 AIB 8 -6.667 -9.319 -8.774 210 HB12 AIB 8 3HB1 AIB 8 -7.252 -9.337 -7.111 211 HB13 AIB 8 1HB2 AIB 8 -6.301 -10.721 -7.748 212 HB21 AIB 8 3HB2 AIB 8 -3.903 -8.845 -5.501 213 HB22 AIB 8 2HB1 AIB 8 -4.450 -10.509 -5.921 214 HB23 AIB 8 2HB2 AIB 8 -5.598 -9.316 -5.180 215 H SER 9 H SER 9 -4.921 -10.886 -8.957 216 HA SER 9 HA SER 9 -2.018 -10.726 -9.622 217 HB2 SER 9 1HB SER 9 -3.412 -12.817 -9.434 218 HB3 SER 9 2HB SER 9 -4.184 -12.362 -10.933 219 HG SER 9 HG SER 9 -2.377 -12.899 -11.999 220 H HIS 10 H HIS 10 -4.920 -9.347 -10.791 221 HA HIS 10 HA HIS 10 -4.191 -8.791 -13.524 222 HB2 HIS 10 1HB HIS 10 -6.371 -8.239 -11.766 223 HB3 HIS 10 2HB HIS 10 -5.893 -6.704 -12.461 224 HD1 HIS 10 HD1 HIS 10 -6.091 -6.426 -15.093 225 HD2 HIS 10 HD2 HIS 10 -7.609 -9.987 -13.505 226 HE1 HIS 10 HE1 HIS 10 -7.481 -7.492 -16.933 227 HE2 HIS 10 H01 HIS 10 -8.483 -9.634 -15.922 228 H LEU 11 H LEU 11 -3.549 -7.036 -10.457 229 HA LEU 11 HA LEU 11 -2.431 -4.670 -11.796 230 HB2 LEU 11 1HB LEU 11 -3.275 -4.655 -9.425 231 HB3 LEU 11 2HB LEU 11 -2.060 -5.822 -8.970 232 HG LEU 11 HG LEU 11 -1.885 -3.308 -8.299 233 HD11 LEU 11 1HD1 LEU 11 0.705 -4.384 -9.452 234 HD12 LEU 11 2HD1 LEU 11 -0.104 -5.164 -8.032 235 HD13 LEU 11 3HD1 LEU 11 0.409 -3.457 -7.953 236 HD21 LEU 11 3HD2 LEU 11 -0.627 -1.834 -9.677 237 HD22 LEU 11 1HD2 LEU 11 -2.128 -2.336 -10.510 238 HD23 LEU 11 2HD2 LEU 11 -0.564 -3.062 -11.021 239 H VAL 12 H VAL 12 -1.207 -7.837 -10.657 240 HA VAL 12 HA VAL 12 1.577 -7.145 -11.034 241 HB VAL 12 HB VAL 12 0.323 -9.939 -11.039 242 HG11 VAL 12 1HG1 VAL 12 2.474 -10.753 -10.483 243 HG12 VAL 12 2HG1 VAL 12 2.653 -9.759 -11.962 244 HG13 VAL 12 3HG1 VAL 12 3.156 -9.081 -10.385 245 HG21 VAL 12 3HG2 VAL 12 1.300 -8.168 -8.756 246 HG22 VAL 12 1HG2 VAL 12 -0.309 -8.916 -8.937 247 HG23 VAL 12 2HG2 VAL 12 1.073 -9.910 -8.604 248 H GLU 13 H GLU 13 -0.862 -8.840 -13.008 249 HA GLU 13 HA GLU 13 0.862 -9.400 -15.189 250 HB2 GLU 13 1HB GLU 13 -1.493 -10.354 -14.753 251 HB3 GLU 13 2HB GLU 13 -2.111 -8.846 -15.446 252 HG2 GLU 13 1HG GLU 13 -2.067 -10.451 -17.217 253 HG3 GLU 13 2HG GLU 13 -0.695 -9.410 -17.558 254 HE2 GLU 13 HE2 GLU 13 -0.543 -11.439 -18.745 255 H ALA 14 H ALA 14 -1.185 -6.482 -14.369 256 HA ALA 14 HA ALA 14 -0.767 -5.145 -16.856 257 HB1 ALA 14 3HB ALA 14 -1.380 -3.094 -15.538 258 HB2 ALA 14 1HB ALA 14 -2.506 -4.441 -15.302 259 HB3 ALA 14 2HB ALA 14 -1.303 -4.066 -14.048 260 H LEU 15 H LEU 15 1.037 -5.020 -13.783 261 HA LEU 15 HA LEU 15 3.006 -3.172 -14.699 262 HB2 LEU 15 1HB LEU 15 2.619 -5.026 -12.474 263 HB3 LEU 15 2HB LEU 15 4.283 -5.127 -13.049 264 HG LEU 15 HG LEU 15 2.951 -2.535 -12.162 265 HD11 LEU 15 1HD1 LEU 15 4.442 -2.660 -10.254 266 HD12 LEU 15 2HD1 LEU 15 5.041 -4.276 -10.802 267 HD13 LEU 15 3HD1 LEU 15 3.319 -4.053 -10.314 268 HD21 LEU 15 3HD2 LEU 15 4.812 -2.149 -13.823 269 HD22 LEU 15 1HD2 LEU 15 5.932 -3.069 -12.810 270 HD23 LEU 15 2HD2 LEU 15 5.228 -1.533 -12.236 271 H TYR 16 H TYR 16 2.824 -6.825 -14.961 272 HA TYR 16 HA TYR 16 5.402 -6.988 -16.255 273 HB2 TYR 16 1HB TYR 16 4.151 -8.874 -15.128 274 HB3 TYR 16 2HB TYR 16 3.121 -8.953 -16.540 275 HD1 TYR 16 HD2 TYR 16 6.842 -9.026 -15.681 276 HD2 TYR 16 HD1 TYR 16 3.705 -10.464 -18.262 277 HE1 TYR 16 HE2 TYR 16 8.441 -10.557 -16.818 278 HE2 TYR 16 HE1 TYR 16 5.309 -12.046 -19.364 279 HH TYR 16 HH TYR 16 8.764 -12.137 -18.417 280 H LEU 17 H LEU 17 2.126 -6.488 -17.594 281 HA LEU 17 HA LEU 17 3.002 -6.816 -20.353 282 HB2 LEU 17 1HB LEU 17 0.678 -5.265 -19.180 283 HB3 LEU 17 2HB LEU 17 0.952 -5.526 -20.901 284 HG LEU 17 HG LEU 17 0.706 -7.889 -19.052 285 HD11 LEU 17 1HD1 LEU 17 -1.620 -8.106 -19.689 286 HD12 LEU 17 2HD1 LEU 17 -1.524 -6.607 -20.657 287 HD13 LEU 17 3HD1 LEU 17 -1.353 -6.584 -18.848 288 HD21 LEU 17 3HD2 LEU 17 0.141 -9.045 -21.208 289 HD22 LEU 17 1HD2 LEU 17 1.751 -8.274 -21.287 290 HD23 LEU 17 2HD2 LEU 17 0.350 -7.491 -22.064 291 H VAL 18 H VAL 18 2.666 -3.928 -18.276 292 HA VAL 18 HA VAL 18 3.289 -2.122 -20.509 293 HB VAL 18 HB VAL 18 1.871 -1.582 -18.466 294 HG11 VAL 18 1HG1 VAL 18 3.389 -2.347 -16.674 295 HG12 VAL 18 2HG1 VAL 18 4.548 -1.076 -17.083 296 HG13 VAL 18 3HG1 VAL 18 2.951 -0.634 -16.490 297 HG21 VAL 18 3HG2 VAL 18 2.403 0.131 -20.046 298 HG22 VAL 18 1HG2 VAL 18 2.701 0.841 -18.443 299 HG23 VAL 18 2HG2 VAL 18 4.063 0.314 -19.446 300 H CYS 19 H CYS 19 5.244 -3.695 -17.948 301 HA CYS 19 HA CYS 19 7.574 -2.048 -18.697 302 HB2 CYS 19 1HB CYS 19 7.055 -3.271 -16.401 303 HB3 CYS 19 2HB CYS 19 7.724 -4.675 -17.222 304 H GLY 20 H GLY 20 6.254 -5.211 -19.469 305 HA2 GLY 20 1HA GLY 20 6.835 -6.445 -21.427 306 HA3 GLY 20 2HA GLY 20 8.412 -5.646 -21.497 307 H GLU 21 H GLU 21 8.781 -8.062 -21.861 308 HA GLU 21 HA GLU 21 8.725 -9.890 -19.681 309 HB2 GLU 21 1HB GLU 21 10.330 -9.770 -22.219 310 HB3 GLU 21 2HB GLU 21 10.293 -11.207 -21.175 311 HG2 GLU 21 1HG GLU 21 7.872 -11.369 -21.527 312 HG3 GLU 21 2HG GLU 21 7.947 -9.937 -22.577 313 HE2 GLU 21 HE2 GLU 21 9.522 -13.330 -23.921 314 H ARG 22 H ARG 22 10.379 -7.120 -19.543 315 HA ARG 22 HA ARG 22 13.071 -8.060 -19.002 316 HB2 ARG 22 1HB ARG 22 11.638 -5.394 -18.372 317 HB3 ARG 22 2HB ARG 22 13.316 -5.756 -17.956 318 HG2 ARG 22 1HG ARG 22 13.504 -4.499 -19.918 319 HG3 ARG 22 2HG ARG 22 13.687 -6.164 -20.488 320 HD2 ARG 22 1HD ARG 22 11.435 -6.202 -21.357 321 HD3 ARG 22 2HD ARG 22 11.002 -4.762 -20.408 322 HE ARG 22 HE ARG 22 12.006 -3.399 -21.965 323 HH11 ARG 22 1HH1 ARG 22 12.611 -6.713 -22.852 324 HH12 ARG 22 2HH1 ARG 22 13.211 -6.318 -24.440 325 HH21 ARG 22 1HH2 ARG 22 12.784 -2.940 -24.002 326 HH22 ARG 22 2HH2 ARG 22 13.312 -4.214 -25.060 327 H GLY 23 H GLY 23 10.177 -7.532 -17.170 328 HA2 GLY 23 1HA GLY 23 9.595 -8.331 -15.195 329 HA3 GLY 23 2HA GLY 23 11.247 -8.888 -14.918 330 H PHE 24 H PHE 24 10.018 -7.872 -12.720 331 HA PHE 24 HA PHE 24 11.164 -5.117 -12.567 332 HB2 PHE 24 1HB PHE 24 9.281 -4.872 -10.743 333 HB3 PHE 24 2HB PHE 24 9.038 -4.509 -12.435 334 HD1 PHE 24 HD2 PHE 24 8.359 -7.007 -9.733 335 HD2 PHE 24 HD1 PHE 24 7.530 -5.760 -13.829 336 HE1 PHE 24 HE2 PHE 24 6.570 -8.630 -9.889 337 HE2 PHE 24 HE1 PHE 24 5.723 -7.454 -13.932 338 HZ PHE 24 HZ PHE 24 5.263 -8.911 -11.992 339 H PHE 25 H PHE 25 10.211 -8.027 -10.705 340 HA PHE 25 HA PHE 25 12.606 -7.619 -8.985 341 HB2 PHE 25 1HB PHE 25 9.857 -6.884 -8.220 342 HB3 PHE 25 2HB PHE 25 10.570 -8.133 -7.172 343 HD1 PHE 25 HD1 PHE 25 12.799 -7.793 -6.035 344 HD2 PHE 25 HD2 PHE 25 10.624 -4.586 -7.943 345 HE1 PHE 25 HE1 PHE 25 14.072 -6.168 -4.710 346 HE2 PHE 25 HE2 PHE 25 11.919 -2.883 -6.666 347 HZ PHE 25 HZ PHE 25 13.661 -3.672 -5.039 348 H TYR 26 H TYR 26 12.983 -9.435 -7.593 349 HA TYR 26 HA TYR 26 11.802 -11.905 -8.711 350 HB2 TYR 26 1HB TYR 26 14.448 -11.239 -8.699 351 HB3 TYR 26 2HB TYR 26 14.336 -11.849 -7.042 352 HD1 TYR 26 HD1 TYR 26 12.040 -14.024 -8.045 353 HD2 TYR 26 HD2 TYR 26 16.022 -12.963 -9.343 354 HE1 TYR 26 HE1 TYR 26 12.307 -16.262 -8.950 355 HE2 TYR 26 HE2 TYR 26 16.341 -15.270 -10.176 356 HH TYR 26 HH TYR 26 13.746 -17.797 -10.054 357 H THR 27 H THR 27 10.611 -10.106 -6.703 358 HA THR 27 HA THR 27 10.036 -12.288 -4.795 359 HB THR 27 HB THR 27 11.674 -10.828 -3.567 360 HG1 THR 27 HG1 THR 27 10.397 -10.565 -1.837 361 HG21 THR 27 1HG2 THR 27 9.573 -8.637 -4.038 362 HG22 THR 27 2HG2 THR 27 11.212 -8.653 -4.733 363 HG23 THR 27 3HG2 THR 27 10.983 -8.462 -2.983 364 H LYS 28 H LYS 28 7.912 -12.294 -4.213 365 HA LYS 28 HA LYS 28 6.088 -10.156 -5.267 366 HB2 LYS 28 1HB LYS 28 5.967 -13.068 -6.033 367 HB3 LYS 28 2HB LYS 28 4.555 -12.023 -6.135 368 HG2 LYS 28 1HG LYS 28 5.636 -10.553 -7.736 369 HG3 LYS 28 2HG LYS 28 7.087 -11.570 -7.694 370 HD2 LYS 28 1HD LYS 28 5.852 -13.463 -8.544 371 HD3 LYS 28 2HD LYS 28 4.319 -12.529 -8.466 372 HE2 LYS 28 1HE LYS 28 5.272 -10.917 -10.019 373 HE3 LYS 28 2HE LYS 28 6.736 -11.972 -10.165 374 HZ1 LYS 28 3HZ LYS 28 5.252 -13.747 -10.884 375 HZ2 LYS 28 1HZ LYS 28 5.267 -12.536 -11.923 376 HZ3 LYS 28 2HZ LYS 28 3.965 -12.767 -10.970 377 HA PRO 29 HA PRO 29 4.388 -11.805 -1.335 378 HB2 PRO 29 1HB PRO 29 2.741 -9.703 -0.764 379 HB3 PRO 29 2HB PRO 29 4.471 -9.673 -0.393 380 HG2 PRO 29 1HG PRO 29 3.019 -8.496 -2.748 381 HG3 PRO 29 2HG PRO 29 4.255 -7.771 -1.736 382 HD2 PRO 29 1HD PRO 29 4.707 -8.790 -4.128 383 HD3 PRO 29 2HD PRO 29 5.927 -8.823 -2.800 384 H THR 30 H THR 30 3.096 -13.439 -1.815 385 HA THR 30 HA THR 30 1.166 -13.153 -3.909 386 HB THR 30 HB THR 30 2.234 -15.281 -3.466 387 HG1 THR 30 HG1 THR 30 0.465 -15.764 -4.561 388 HG21 THR 30 1HG2 THR 30 2.207 -15.395 -0.977 389 HG22 THR 30 2HG2 THR 30 1.409 -16.822 -1.671 390 HG23 THR 30 3HG2 THR 30 0.452 -15.545 -1.015 391 HXT THR 30 H02 THR 30 -0.861 -13.300 -3.778 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 4.283 -3.121 -1.344 2 H2 GLY 1 2H GLY 1 5.380 -1.926 -1.464 3 HA2 GLY 1 1HA GLY 1 2.661 -1.681 -0.962 4 HA3 GLY 1 2HA GLY 1 3.904 -0.314 -1.062 5 H ILE 2 H ILE 2 4.078 -1.962 -3.754 6 HA ILE 2 HA ILE 2 3.056 -0.065 -5.499 7 HB ILE 2 HB ILE 2 3.089 -3.084 -6.063 8 HG12 ILE 2 1HG1 ILE 2 5.333 -1.042 -6.273 9 HG13 ILE 2 2HG1 ILE 2 5.226 -2.351 -5.104 10 HG21 ILE 2 1HG2 ILE 2 1.907 -1.684 -7.862 11 HG22 ILE 2 2HG2 ILE 2 3.316 -0.622 -7.968 12 HG23 ILE 2 3HG2 ILE 2 3.441 -2.295 -8.504 13 HD11 ILE 2 3HD1 ILE 2 5.633 -2.585 -8.074 14 HD12 ILE 2 1HD1 ILE 2 6.781 -2.994 -6.779 15 HD13 ILE 2 2HD1 ILE 2 5.307 -3.977 -6.977 16 H VAL 3 H VAL 3 1.392 -3.195 -4.661 17 HA VAL 3 HA VAL 3 -0.876 -2.521 -6.327 18 HB VAL 3 HB VAL 3 -0.272 -4.876 -5.760 19 HG11 VAL 3 1HG1 VAL 3 -1.339 -4.366 -2.965 20 HG12 VAL 3 2HG1 VAL 3 -0.667 -5.888 -3.619 21 HG13 VAL 3 3HG1 VAL 3 0.406 -4.505 -3.404 22 HG21 VAL 3 3HG2 VAL 3 -2.494 -4.540 -6.511 23 HG22 VAL 3 1HG2 VAL 3 -2.520 -5.745 -5.227 24 HG23 VAL 3 2HG2 VAL 3 -3.039 -4.081 -4.908 25 H GLU 4 H GLU 4 -0.225 -2.109 -2.850 26 HA GLU 4 HA GLU 4 -2.814 -1.259 -2.107 27 HB2 GLU 4 1HB GLU 4 -1.188 -1.813 -0.448 28 HB3 GLU 4 2HB GLU 4 -0.046 -0.620 -1.062 29 HG2 GLU 4 1HG GLU 4 -2.715 0.428 -0.162 30 HG3 GLU 4 2HG GLU 4 -1.649 -0.124 1.124 31 HE2 GLU 4 HE2 GLU 4 -2.520 2.295 -0.649 32 H GLN 5 H GLN 5 -0.009 0.752 -3.244 33 HA GLN 5 HA GLN 5 -1.466 3.246 -3.113 34 HB2 GLN 5 1HB GLN 5 0.928 2.382 -4.798 35 HB3 GLN 5 2HB GLN 5 0.364 4.039 -4.622 36 HG2 GLN 5 1HG GLN 5 0.802 4.044 -2.287 37 HG3 GLN 5 2HG GLN 5 1.202 2.347 -2.266 38 HE21 GLN 5 2HE2 GLN 5 2.540 5.266 -2.068 39 HE22 GLN 5 1HE2 GLN 5 4.101 4.997 -2.808 40 H CYS 6 H CYS 6 -1.140 0.772 -5.678 41 HA CYS 6 HA CYS 6 -2.254 2.538 -7.649 42 HB2 CYS 6 1HB CYS 6 -0.768 0.718 -8.207 43 HB3 CYS 6 2HB CYS 6 -1.951 -0.456 -7.649 44 H CYS 7 H CYS 7 -3.685 -0.128 -5.612 45 HA CYS 7 HA CYS 7 -6.168 -0.209 -6.993 46 HB2 CYS 7 1HB CYS 7 -5.549 -0.743 -4.049 47 HB3 CYS 7 2HB CYS 7 -7.044 -1.212 -4.869 48 H THR 8 H THR 8 -5.082 2.048 -4.436 49 HA THR 8 HA THR 8 -7.844 3.060 -4.047 50 HB THR 8 HB THR 8 -6.206 2.909 -2.152 51 HG1 THR 8 HG1 THR 8 -6.605 5.225 -1.468 52 HG21 THR 8 1HG2 THR 8 -4.165 3.650 -3.372 53 HG22 THR 8 2HG2 THR 8 -4.452 4.693 -1.927 54 HG23 THR 8 3HG2 THR 8 -4.885 5.293 -3.597 55 H SER 9 H SER 9 -8.632 5.049 -4.698 56 HA SER 9 HA SER 9 -9.108 6.432 -6.451 57 HB2 SER 9 1HB SER 9 -7.089 7.596 -5.397 58 HB3 SER 9 2HB SER 9 -6.201 7.134 -6.853 59 HG SER 9 HG SER 9 -7.318 9.270 -6.912 60 H ILE 10 H ILE 10 -8.134 7.263 -8.732 61 HA ILE 10 HA ILE 10 -8.453 4.852 -10.437 62 HB ILE 10 HB ILE 10 -7.997 7.780 -11.273 63 HG12 ILE 10 1HG1 ILE 10 -10.078 7.423 -9.927 64 HG13 ILE 10 2HG1 ILE 10 -10.357 8.055 -11.543 65 HG21 ILE 10 1HG2 ILE 10 -7.375 6.491 -13.088 66 HG22 ILE 10 2HG2 ILE 10 -8.678 5.319 -12.853 67 HG23 ILE 10 3HG2 ILE 10 -9.035 6.946 -13.445 68 HD11 ILE 10 3HD1 ILE 10 -10.812 5.101 -10.589 69 HD12 ILE 10 1HD1 ILE 10 -12.074 6.236 -11.112 70 HD13 ILE 10 2HD1 ILE 10 -10.940 5.580 -12.299 71 H CYS 11 H CYS 11 -6.810 3.653 -11.228 72 HA CYS 11 HA CYS 11 -4.027 4.827 -11.041 73 HB2 CYS 11 1HB CYS 11 -4.906 2.630 -9.957 74 HB3 CYS 11 2HB CYS 11 -4.712 1.884 -11.549 75 H SER 12 H SER 12 -2.512 4.183 -12.784 76 HA SER 12 HA SER 12 -3.711 3.802 -15.448 77 HB2 SER 12 1HB SER 12 -2.507 5.775 -16.379 78 HB3 SER 12 2HB SER 12 -3.754 6.237 -15.173 79 HG SER 12 HG SER 12 -2.069 6.726 -13.710 80 H LEU 13 H LEU 13 -2.141 3.438 -17.049 81 HA LEU 13 HA LEU 13 0.113 1.797 -16.411 82 HB2 LEU 13 1HB LEU 13 -0.643 3.216 -19.071 83 HB3 LEU 13 2HB LEU 13 0.693 2.136 -18.832 84 HG LEU 13 HG LEU 13 -2.144 1.220 -18.344 85 HD11 LEU 13 1HD1 LEU 13 -1.428 1.901 -20.808 86 HD12 LEU 13 2HD1 LEU 13 -2.101 0.249 -20.536 87 HD13 LEU 13 3HD1 LEU 13 -0.330 0.461 -20.699 88 HD21 LEU 13 3HD2 LEU 13 -0.325 -0.144 -17.042 89 HD22 LEU 13 1HD2 LEU 13 0.452 -0.435 -18.658 90 HD23 LEU 13 2HD2 LEU 13 -1.172 -1.126 -18.297 91 H TYR 14 H TYR 14 -0.310 5.312 -17.045 92 HA TYR 14 HA TYR 14 2.480 5.911 -17.221 93 HB2 TYR 14 1HB TYR 14 0.878 7.491 -18.006 94 HB3 TYR 14 2HB TYR 14 0.079 7.507 -16.385 95 HD1 TYR 14 HD1 TYR 14 3.369 8.187 -18.101 96 HD2 TYR 14 HD2 TYR 14 0.811 8.997 -14.665 97 HE1 TYR 14 HE1 TYR 14 4.913 9.864 -17.471 98 HE2 TYR 14 HE2 TYR 14 2.110 11.188 -14.687 99 HH TYR 14 HH TYR 14 5.636 11.111 -15.430 100 H GLN 15 H GLN 15 0.415 5.425 -14.408 101 HA GLN 15 HA GLN 15 2.563 6.185 -12.491 102 HB2 GLN 15 1HB GLN 15 -0.038 4.785 -12.169 103 HB3 GLN 15 2HB GLN 15 1.016 5.180 -10.835 104 HG2 GLN 15 1HG GLN 15 0.680 7.481 -11.165 105 HG3 GLN 15 2HG GLN 15 -0.019 7.211 -12.776 106 HE21 GLN 15 2HE2 GLN 15 -0.588 6.772 -9.307 107 HE22 GLN 15 1HE2 GLN 15 -2.342 6.761 -9.453 108 H LEU 16 H LEU 16 1.221 3.210 -13.856 109 HA LEU 16 HA LEU 16 2.756 1.422 -12.213 110 HB2 LEU 16 1HB LEU 16 1.259 1.276 -14.749 111 HB3 LEU 16 2HB LEU 16 2.580 0.125 -14.710 112 HG LEU 16 HG LEU 16 1.655 -0.784 -12.600 113 HD11 LEU 16 1HD1 LEU 16 -0.606 -0.116 -11.869 114 HD12 LEU 16 2HD1 LEU 16 -0.700 1.083 -13.129 115 HD13 LEU 16 3HD1 LEU 16 0.448 1.314 -11.804 116 HD21 LEU 16 3HD2 LEU 16 -0.336 -0.659 -14.875 117 HD22 LEU 16 1HD2 LEU 16 -0.398 -1.814 -13.524 118 HD23 LEU 16 2HD2 LEU 16 0.963 -1.880 -14.677 119 H GLU 17 H GLU 17 3.653 3.079 -15.226 120 HA GLU 17 HA GLU 17 6.226 1.876 -15.445 121 HB2 GLU 17 1HB GLU 17 5.031 4.437 -16.340 122 HB3 GLU 17 2HB GLU 17 6.784 4.209 -16.446 123 HG2 GLU 17 1HG GLU 17 4.935 2.103 -17.508 124 HG3 GLU 17 2HG GLU 17 5.281 3.536 -18.458 125 HE2 GLU 17 HE2 GLU 17 7.947 0.728 -18.065 126 H ASN 18 H ASN 18 5.141 4.201 -13.027 127 HA ASN 18 HA ASN 18 7.888 5.172 -12.464 128 HB2 ASN 18 1HB ASN 18 5.418 5.172 -10.706 129 HB3 ASN 18 2HB ASN 18 6.939 5.955 -10.328 130 HD21 ASN 18 2HD2 ASN 18 4.326 7.196 -10.656 131 HD22 ASN 18 1HD2 ASN 18 4.651 8.359 -11.926 132 H TYR 19 H TYR 19 6.252 2.141 -11.860 133 HA TYR 19 HA TYR 19 8.177 1.596 -9.632 134 HB2 TYR 19 1HB TYR 19 5.951 -0.124 -10.797 135 HB3 TYR 19 2HB TYR 19 6.968 -0.489 -9.339 136 HD1 TYR 19 HD2 TYR 19 4.269 1.727 -10.649 137 HD2 TYR 19 HD1 TYR 19 6.567 0.683 -7.207 138 HE1 TYR 19 HE2 TYR 19 2.616 2.893 -9.204 139 HE2 TYR 19 HE1 TYR 19 5.005 1.856 -5.765 140 HH TYR 19 HH TYR 19 3.044 3.069 -5.633 141 H CYS 20 H CYS 20 8.364 1.710 -12.884 142 HA CYS 20 HA CYS 20 9.891 -0.875 -13.187 143 HB2 CYS 20 1HB CYS 20 8.492 1.014 -15.152 144 HB3 CYS 20 2HB CYS 20 9.668 -0.225 -15.690 145 H ASN 21 H ASN 21 11.853 -0.358 -14.922 146 HA ASN 21 HA ASN 21 13.315 1.809 -13.679 147 HB2 ASN 21 1HB ASN 21 14.586 -0.158 -14.122 148 HB3 ASN 21 2HB ASN 21 13.989 -0.238 -15.794 149 HD21 ASN 21 2HD2 ASN 21 15.591 0.279 -17.213 150 HD22 ASN 21 1HD2 ASN 21 16.792 1.479 -16.904 151 HXT ASN 21 H02 ASN 21 12.937 3.609 -14.225 152 H1 PHE 1 1H PHE 1 -5.516 -3.727 -20.981 153 H2 PHE 1 2H PHE 1 -6.919 -3.114 -21.514 154 HA PHE 1 HA PHE 1 -5.722 -2.324 -18.993 155 HB2 PHE 1 1HB PHE 1 -5.471 -0.933 -21.665 156 HB3 PHE 1 2HB PHE 1 -4.626 -0.566 -20.210 157 HD1 PHE 1 HD1 PHE 1 -3.007 -2.425 -19.069 158 HD2 PHE 1 HD2 PHE 1 -4.352 -2.397 -23.259 159 HE1 PHE 1 HE1 PHE 1 -1.283 -3.951 -19.703 160 HE2 PHE 1 HE2 PHE 1 -2.481 -3.859 -23.919 161 HZ PHE 1 HZ PHE 1 -0.903 -4.627 -22.098 162 H VAL 2 H VAL 2 -7.008 -1.133 -17.810 163 HA VAL 2 HA VAL 2 -8.881 0.736 -19.192 164 HB VAL 2 HB VAL 2 -10.114 -1.393 -18.582 165 HG11 VAL 2 1HG1 VAL 2 -10.530 -1.804 -16.114 166 HG12 VAL 2 2HG1 VAL 2 -8.885 -2.127 -16.610 167 HG13 VAL 2 3HG1 VAL 2 -9.294 -0.622 -15.777 168 HG21 VAL 2 3HG2 VAL 2 -11.993 -0.274 -17.347 169 HG22 VAL 2 1HG2 VAL 2 -10.955 1.116 -17.083 170 HG23 VAL 2 2HG2 VAL 2 -11.419 0.704 -18.728 171 H ASN 3 H ASN 3 -9.194 2.675 -18.040 172 HA ASN 3 HA ASN 3 -6.926 3.274 -16.225 173 HB2 ASN 3 1HB ASN 3 -7.620 4.599 -18.346 174 HB3 ASN 3 2HB ASN 3 -8.902 5.320 -17.374 175 HD21 ASN 3 2HD2 ASN 3 -8.494 6.931 -16.051 176 HD22 ASN 3 1HD2 ASN 3 -6.949 7.563 -15.650 177 H GLN 4 H GLN 4 -7.913 1.995 -14.529 178 HA GLN 4 HA GLN 4 -9.982 3.435 -13.008 179 HB2 GLN 4 1HB GLN 4 -10.602 1.285 -14.724 180 HB3 GLN 4 2HB GLN 4 -10.530 0.571 -13.103 181 HG2 GLN 4 1HG GLN 4 -12.784 1.164 -13.292 182 HG3 GLN 4 2HG GLN 4 -12.120 2.562 -12.422 183 HE21 GLN 4 2HE2 GLN 4 -13.024 4.445 -13.190 184 HE22 GLN 4 1HE2 GLN 4 -13.419 4.735 -14.848 185 H HIS 5 H HIS 5 -10.437 1.425 -11.152 186 HA HIS 5 HA HIS 5 -8.063 1.625 -9.477 187 HB2 HIS 5 1HB HIS 5 -10.601 -0.010 -9.201 188 HB3 HIS 5 2HB HIS 5 -9.378 0.199 -7.935 189 HD1 HIS 5 HD1 HIS 5 -9.056 2.668 -6.931 190 HD2 HIS 5 HD2 HIS 5 -12.594 1.971 -9.097 191 HE1 HIS 5 HE1 HIS 5 -10.701 4.522 -6.352 192 HE2 HIS 5 H01 HIS 5 -12.810 4.103 -7.715 193 H LEU 6 H LEU 6 -6.540 0.519 -10.947 194 HA LEU 6 HA LEU 6 -6.977 -2.222 -11.728 195 HB2 LEU 6 1HB LEU 6 -4.481 -0.504 -11.522 196 HB3 LEU 6 2HB LEU 6 -4.466 -2.116 -12.181 197 HG LEU 6 HG LEU 6 -6.179 0.135 -13.318 198 HD11 LEU 6 1HD1 LEU 6 -4.442 0.267 -15.177 199 HD12 LEU 6 2HD1 LEU 6 -3.367 -0.741 -14.145 200 HD13 LEU 6 3HD1 LEU 6 -3.895 0.900 -13.566 201 HD21 LEU 6 3HD2 LEU 6 -6.390 -1.150 -15.312 202 HD22 LEU 6 1HD2 LEU 6 -6.921 -2.161 -13.938 203 HD23 LEU 6 2HD2 LEU 6 -5.314 -2.429 -14.663 204 H CYS 7 H CYS 7 -6.851 -3.914 -10.428 205 HA CYS 7 HA CYS 7 -5.132 -3.763 -7.972 206 HB2 CYS 7 1HB CYS 7 -7.695 -3.054 -7.661 207 HB3 CYS 7 2HB CYS 7 -7.942 -4.800 -7.614 208 H AIB 8 H AIB 8 -5.339 -5.906 -6.647 209 HB11 AIB 8 1HB1 AIB 8 -7.205 -8.152 -6.590 210 HB12 AIB 8 3HB1 AIB 8 -6.464 -9.642 -7.242 211 HB13 AIB 8 1HB2 AIB 8 -7.039 -8.367 -8.298 212 HB21 AIB 8 3HB2 AIB 8 -4.710 -7.524 -5.261 213 HB22 AIB 8 2HB1 AIB 8 -3.332 -7.972 -6.256 214 HB23 AIB 8 2HB2 AIB 8 -4.462 -9.182 -5.776 215 H SER 9 H SER 9 -5.239 -10.153 -8.759 216 HA SER 9 HA SER 9 -2.605 -10.298 -9.813 217 HB2 SER 9 1HB SER 9 -3.965 -12.241 -9.524 218 HB3 SER 9 2HB SER 9 -5.237 -11.533 -10.611 219 HG SER 9 HG SER 9 -3.707 -13.199 -11.448 220 H HIS 10 H HIS 10 -5.551 -8.686 -11.078 221 HA HIS 10 HA HIS 10 -4.546 -8.379 -13.709 222 HB2 HIS 10 1HB HIS 10 -6.319 -6.241 -12.657 223 HB3 HIS 10 2HB HIS 10 -6.516 -7.271 -14.072 224 HD1 HIS 10 HD1 HIS 10 -7.257 -9.953 -13.462 225 HD2 HIS 10 HD2 HIS 10 -8.093 -6.899 -10.736 226 HE1 HIS 10 HE1 HIS 10 -9.178 -10.746 -11.971 227 HE2 HIS 10 H01 HIS 10 -9.599 -8.927 -10.282 228 H LEU 11 H LEU 11 -3.972 -6.410 -10.802 229 HA LEU 11 HA LEU 11 -2.644 -4.274 -12.182 230 HB2 LEU 11 1HB LEU 11 -3.478 -4.168 -9.856 231 HB3 LEU 11 2HB LEU 11 -2.363 -5.410 -9.321 232 HG LEU 11 HG LEU 11 -1.895 -3.004 -8.677 233 HD11 LEU 11 1HD1 LEU 11 -0.264 -4.885 -8.416 234 HD12 LEU 11 2HD1 LEU 11 0.507 -3.274 -8.711 235 HD13 LEU 11 3HD1 LEU 11 0.381 -4.496 -10.068 236 HD21 LEU 11 3HD2 LEU 11 -0.760 -1.595 -10.114 237 HD22 LEU 11 1HD2 LEU 11 -2.274 -2.046 -10.936 238 HD23 LEU 11 2HD2 LEU 11 -0.696 -2.794 -11.392 239 H VAL 12 H VAL 12 -1.606 -7.402 -10.697 240 HA VAL 12 HA VAL 12 1.178 -6.985 -11.099 241 HB VAL 12 HB VAL 12 -0.386 -9.665 -11.057 242 HG11 VAL 12 1HG1 VAL 12 1.869 -10.017 -11.880 243 HG12 VAL 12 2HG1 VAL 12 2.533 -9.052 -10.524 244 HG13 VAL 12 3HG1 VAL 12 1.772 -10.638 -10.203 245 HG21 VAL 12 3HG2 VAL 12 0.859 -8.226 -8.750 246 HG22 VAL 12 1HG2 VAL 12 -0.876 -8.287 -9.080 247 HG23 VAL 12 2HG2 VAL 12 -0.017 -9.763 -8.684 248 H GLU 13 H GLU 13 -1.330 -8.534 -13.094 249 HA GLU 13 HA GLU 13 0.308 -9.448 -15.177 250 HB2 GLU 13 1HB GLU 13 -2.111 -10.042 -14.764 251 HB3 GLU 13 2HB GLU 13 -2.550 -8.418 -15.360 252 HG2 GLU 13 1HG GLU 13 -1.630 -8.956 -17.569 253 HG3 GLU 13 2HG GLU 13 -1.073 -10.573 -16.957 254 HE2 GLU 13 HE2 GLU 13 -2.343 -10.881 -18.912 255 H ALA 14 H ALA 14 -1.367 -6.243 -14.792 256 HA ALA 14 HA ALA 14 -0.483 -5.362 -17.390 257 HB1 ALA 14 3HB ALA 14 -1.331 -3.076 -16.546 258 HB2 ALA 14 1HB ALA 14 -2.533 -4.369 -16.603 259 HB3 ALA 14 2HB ALA 14 -1.834 -3.931 -15.076 260 H LEU 15 H LEU 15 0.742 -5.006 -14.092 261 HA LEU 15 HA LEU 15 2.796 -3.147 -14.893 262 HB2 LEU 15 1HB LEU 15 2.158 -3.657 -12.524 263 HB3 LEU 15 2HB LEU 15 2.909 -5.258 -12.729 264 HG LEU 15 HG LEU 15 5.108 -4.115 -13.106 265 HD11 LEU 15 1HD1 LEU 15 5.385 -1.772 -12.574 266 HD12 LEU 15 2HD1 LEU 15 3.615 -1.603 -12.371 267 HD13 LEU 15 3HD1 LEU 15 4.288 -1.946 -13.949 268 HD21 LEU 15 3HD2 LEU 15 3.708 -3.210 -10.549 269 HD22 LEU 15 1HD2 LEU 15 5.430 -3.595 -10.757 270 HD23 LEU 15 2HD2 LEU 15 4.228 -4.892 -10.825 271 H TYR 16 H TYR 16 2.809 -6.733 -14.745 272 HA TYR 16 HA TYR 16 5.528 -7.086 -15.563 273 HB2 TYR 16 1HB TYR 16 4.053 -8.833 -14.638 274 HB3 TYR 16 2HB TYR 16 3.124 -8.833 -16.161 275 HD1 TYR 16 HD1 TYR 16 6.672 -9.315 -14.909 276 HD2 TYR 16 HD2 TYR 16 3.708 -10.306 -17.853 277 HE1 TYR 16 HE1 TYR 16 8.207 -10.943 -15.875 278 HE2 TYR 16 HE2 TYR 16 5.286 -11.955 -18.858 279 HH TYR 16 HH TYR 16 8.606 -12.444 -17.404 280 H LEU 17 H LEU 17 2.531 -6.662 -17.421 281 HA LEU 17 HA LEU 17 3.735 -7.054 -19.968 282 HB2 LEU 17 1HB LEU 17 1.284 -5.466 -19.063 283 HB3 LEU 17 2HB LEU 17 1.803 -5.567 -20.768 284 HG LEU 17 HG LEU 17 1.149 -7.997 -19.065 285 HD11 LEU 17 1HD1 LEU 17 -0.700 -6.681 -21.118 286 HD12 LEU 17 2HD1 LEU 17 -0.775 -6.318 -19.381 287 HD13 LEU 17 3HD1 LEU 17 -1.061 -7.975 -19.941 288 HD21 LEU 17 3HD2 LEU 17 1.606 -7.490 -22.037 289 HD22 LEU 17 1HD2 LEU 17 0.756 -8.945 -21.421 290 HD23 LEU 17 2HD2 LEU 17 2.432 -8.651 -20.953 291 H VAL 18 H VAL 18 3.185 -3.898 -18.155 292 HA VAL 18 HA VAL 18 4.486 -2.440 -20.371 293 HB VAL 18 HB VAL 18 2.709 -1.511 -18.866 294 HG11 VAL 18 1HG1 VAL 18 3.685 -2.205 -16.636 295 HG12 VAL 18 2HG1 VAL 18 5.023 -1.025 -16.895 296 HG13 VAL 18 3HG1 VAL 18 3.332 -0.453 -16.710 297 HG21 VAL 18 3HG2 VAL 18 5.281 0.104 -19.212 298 HG22 VAL 18 1HG2 VAL 18 3.939 0.005 -20.368 299 HG23 VAL 18 2HG2 VAL 18 3.691 0.807 -18.801 300 H CYS 19 H CYS 19 5.722 -3.933 -17.407 301 HA CYS 19 HA CYS 19 8.258 -2.456 -17.523 302 HB2 CYS 19 1HB CYS 19 6.913 -4.337 -15.809 303 HB3 CYS 19 2HB CYS 19 8.537 -4.925 -16.148 304 H GLY 20 H GLY 20 7.008 -5.588 -18.537 305 HA2 GLY 20 1HA GLY 20 7.812 -6.727 -20.545 306 HA3 GLY 20 2HA GLY 20 9.390 -6.004 -20.290 307 H GLU 21 H GLU 21 9.844 -8.464 -20.783 308 HA GLU 21 HA GLU 21 9.216 -10.302 -18.682 309 HB2 GLU 21 1HB GLU 21 11.482 -10.344 -20.662 310 HB3 GLU 21 2HB GLU 21 10.992 -11.739 -19.693 311 HG2 GLU 21 1HG GLU 21 8.793 -11.785 -20.788 312 HG3 GLU 21 2HG GLU 21 9.228 -10.351 -21.738 313 HE2 GLU 21 HE2 GLU 21 10.162 -13.428 -21.002 314 H ARG 22 H ARG 22 11.594 -7.810 -18.812 315 HA ARG 22 HA ARG 22 13.588 -8.952 -17.123 316 HB2 ARG 22 1HB ARG 22 14.102 -6.453 -16.678 317 HB3 ARG 22 2HB ARG 22 14.219 -7.037 -18.333 318 HG2 ARG 22 1HG ARG 22 11.541 -5.978 -17.719 319 HG3 ARG 22 2HG ARG 22 12.801 -4.791 -17.410 320 HD2 ARG 22 1HD ARG 22 12.834 -6.295 -20.055 321 HD3 ARG 22 2HD ARG 22 11.759 -4.911 -19.842 322 HE ARG 22 HE ARG 22 14.300 -4.136 -19.002 323 HH11 ARG 22 1HH1 ARG 22 12.787 -5.089 -22.008 324 HH12 ARG 22 2HH1 ARG 22 13.880 -4.094 -22.960 325 HH21 ARG 22 1HH2 ARG 22 15.644 -2.885 -20.262 326 HH22 ARG 22 2HH2 ARG 22 15.420 -2.866 -21.998 327 H GLY 23 H GLY 23 10.391 -7.990 -16.333 328 HA2 GLY 23 1HA GLY 23 9.326 -8.106 -14.312 329 HA3 GLY 23 2HA GLY 23 10.822 -8.669 -13.558 330 H PHE 24 H PHE 24 9.831 -7.480 -11.812 331 HA PHE 24 HA PHE 24 10.853 -4.695 -11.711 332 HB2 PHE 24 1HB PHE 24 8.676 -4.012 -10.593 333 HB3 PHE 24 2HB PHE 24 8.507 -4.367 -12.336 334 HD1 PHE 24 HD1 PHE 24 7.755 -5.506 -8.870 335 HD2 PHE 24 HD2 PHE 24 7.097 -6.202 -13.060 336 HE1 PHE 24 HE1 PHE 24 5.958 -7.104 -8.288 337 HE2 PHE 24 HE2 PHE 24 5.313 -7.865 -12.494 338 HZ PHE 24 HZ PHE 24 4.694 -8.278 -10.072 339 H PHE 25 H PHE 25 10.809 -4.054 -9.366 340 HA PHE 25 HA PHE 25 11.162 -6.372 -7.530 341 HB2 PHE 25 1HB PHE 25 12.795 -3.992 -8.148 342 HB3 PHE 25 2HB PHE 25 12.528 -4.229 -6.409 343 HD1 PHE 25 HD1 PHE 25 13.274 -6.556 -9.347 344 HD2 PHE 25 HD2 PHE 25 14.177 -5.329 -5.286 345 HE1 PHE 25 HE1 PHE 25 15.015 -8.380 -9.174 346 HE2 PHE 25 HE2 PHE 25 15.943 -6.996 -5.176 347 HZ PHE 25 HZ PHE 25 16.346 -8.576 -7.144 348 H TYR 26 H TYR 26 10.860 -5.598 -5.179 349 HA TYR 26 HA TYR 26 8.178 -4.509 -4.919 350 HB2 TYR 26 1HB TYR 26 9.824 -6.333 -3.512 351 HB3 TYR 26 2HB TYR 26 9.651 -4.973 -2.434 352 HD1 TYR 26 HD2 TYR 26 6.945 -4.081 -2.745 353 HD2 TYR 26 HD1 TYR 26 8.393 -8.091 -2.998 354 HE1 TYR 26 HE2 TYR 26 4.691 -4.898 -2.154 355 HE2 TYR 26 HE1 TYR 26 6.099 -8.922 -2.400 356 HH TYR 26 HH TYR 26 3.389 -6.667 -1.679 357 H THR 27 H THR 27 10.399 -2.720 -5.667 358 HA THR 27 HA THR 27 11.093 -0.630 -5.448 359 HB THR 27 HB THR 27 10.043 1.063 -4.149 360 HG1 THR 27 HG1 THR 27 9.155 -1.129 -2.621 361 HG21 THR 27 1HG2 THR 27 7.778 0.869 -4.885 362 HG22 THR 27 2HG2 THR 27 7.841 -0.904 -4.912 363 HG23 THR 27 3HG2 THR 27 8.740 0.054 -6.106 364 H LYS 28 H LYS 28 12.352 0.888 -4.268 365 HA LYS 28 HA LYS 28 14.039 -0.634 -2.289 366 HB2 LYS 28 1HB LYS 28 14.468 2.035 -3.716 367 HB3 LYS 28 2HB LYS 28 15.584 1.316 -2.549 368 HG2 LYS 28 1HG LYS 28 15.977 -0.556 -4.184 369 HG3 LYS 28 2HG LYS 28 14.868 0.231 -5.283 370 HD2 LYS 28 1HD LYS 28 17.041 0.745 -5.974 371 HD3 LYS 28 2HD LYS 28 16.275 2.190 -5.307 372 HE2 LYS 28 1HE LYS 28 17.513 1.833 -3.128 373 HE3 LYS 28 2HE LYS 28 18.271 0.390 -3.805 374 HZ1 LYS 28 3HZ LYS 28 18.417 2.995 -5.102 375 HZ2 LYS 28 1HZ LYS 28 19.371 1.659 -5.278 376 HZ3 LYS 28 2HZ LYS 28 19.477 2.619 -3.932 377 HA PRO 29 HA PRO 29 12.344 2.293 0.714 378 HB2 PRO 29 1HB PRO 29 14.081 1.831 2.802 379 HB3 PRO 29 2HB PRO 29 12.720 0.735 2.466 380 HG2 PRO 29 1HG PRO 29 15.580 0.431 1.820 381 HG3 PRO 29 2HG PRO 29 14.330 -0.821 2.295 382 HD2 PRO 29 1HD PRO 29 15.277 -0.375 -0.297 383 HD3 PRO 29 2HD PRO 29 13.657 -1.123 0.139 384 H THR 30 H THR 30 12.786 4.391 0.157 385 HA THR 30 HA THR 30 15.383 5.471 0.652 386 HB THR 30 HB THR 30 15.803 4.268 -1.531 387 HG1 THR 30 HG1 THR 30 15.698 6.997 -2.222 388 HG21 THR 30 1HG2 THR 30 14.771 5.000 -3.594 389 HG22 THR 30 2HG2 THR 30 13.737 6.029 -2.683 390 HG23 THR 30 3HG2 THR 30 13.536 4.348 -2.530 391 HXT THR 30 H02 THR 30 15.443 7.373 0.632 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 5.258 -1.226 -2.054 2 H2 GLY 1 2H GLY 1 3.992 -2.229 -2.176 3 HA2 GLY 1 1HA GLY 1 3.022 -0.365 -1.100 4 HA3 GLY 1 2HA GLY 1 4.039 0.702 -2.145 5 H ILE 2 H ILE 2 3.329 -1.174 -4.211 6 HA ILE 2 HA ILE 2 1.517 0.378 -5.716 7 HB ILE 2 HB ILE 2 2.105 -2.585 -6.252 8 HG12 ILE 2 1HG1 ILE 2 3.647 -0.186 -7.140 9 HG13 ILE 2 2HG1 ILE 2 4.185 -1.314 -5.893 10 HG21 ILE 2 1HG2 ILE 2 1.642 -1.956 -8.623 11 HG22 ILE 2 2HG2 ILE 2 0.241 -1.760 -7.616 12 HG23 ILE 2 3HG2 ILE 2 1.205 -0.354 -8.115 13 HD11 ILE 2 3HD1 ILE 2 4.031 -3.124 -7.870 14 HD12 ILE 2 1HD1 ILE 2 4.047 -1.690 -8.905 15 HD13 ILE 2 2HD1 ILE 2 5.394 -1.984 -7.770 16 H VAL 3 H VAL 3 1.011 -2.481 -3.669 17 HA VAL 3 HA VAL 3 -1.662 -2.992 -4.587 18 HB VAL 3 HB VAL 3 -0.593 -4.750 -3.400 19 HG11 VAL 3 1HG1 VAL 3 0.158 -4.681 -1.087 20 HG12 VAL 3 2HG1 VAL 3 1.007 -3.480 -2.051 21 HG13 VAL 3 3HG1 VAL 3 -0.335 -2.968 -0.956 22 HG21 VAL 3 3HG2 VAL 3 -2.250 -5.311 -1.748 23 HG22 VAL 3 1HG2 VAL 3 -2.704 -3.616 -1.552 24 HG23 VAL 3 2HG2 VAL 3 -3.040 -4.461 -3.086 25 H GLU 4 H GLU 4 -0.394 -0.974 -1.858 26 HA GLU 4 HA GLU 4 -3.092 -0.182 -0.978 27 HB2 GLU 4 1HB GLU 4 -0.229 0.695 -0.470 28 HB3 GLU 4 2HB GLU 4 -1.608 1.742 -0.018 29 HG2 GLU 4 1HG GLU 4 -1.274 -1.189 0.945 30 HG3 GLU 4 2HG GLU 4 -0.896 0.232 1.921 31 HE2 GLU 4 HE2 GLU 4 -2.592 -1.826 2.264 32 H GLN 5 H GLN 5 -0.607 1.305 -3.069 33 HA GLN 5 HA GLN 5 -1.959 3.776 -3.500 34 HB2 GLN 5 1HB GLN 5 0.030 2.121 -5.123 35 HB3 GLN 5 2HB GLN 5 -0.540 3.722 -5.683 36 HG2 GLN 5 1HG GLN 5 0.810 3.225 -3.004 37 HG3 GLN 5 2HG GLN 5 1.684 3.726 -4.440 38 HE21 GLN 5 2HE2 GLN 5 -0.016 4.811 -1.699 39 HE22 GLN 5 1HE2 GLN 5 -0.181 6.422 -2.185 40 H CYS 6 H CYS 6 -2.212 0.675 -5.351 41 HA CYS 6 HA CYS 6 -4.167 2.056 -7.181 42 HB2 CYS 6 1HB CYS 6 -2.287 -0.248 -7.678 43 HB3 CYS 6 2HB CYS 6 -3.459 0.379 -8.837 44 H CYS 7 H CYS 7 -4.220 -0.480 -4.763 45 HA CYS 7 HA CYS 7 -6.174 -2.077 -6.396 46 HB2 CYS 7 1HB CYS 7 -4.700 -3.165 -4.612 47 HB3 CYS 7 2HB CYS 7 -5.627 -2.203 -3.434 48 H THR 8 H THR 8 -6.217 0.511 -4.094 49 HA THR 8 HA THR 8 -9.186 0.362 -4.071 50 HB THR 8 HB THR 8 -7.847 0.405 -1.999 51 HG1 THR 8 HG1 THR 8 -9.211 2.153 -1.089 52 HG21 THR 8 1HG2 THR 8 -6.894 2.525 -1.174 53 HG22 THR 8 2HG2 THR 8 -7.502 3.399 -2.614 54 HG23 THR 8 3HG2 THR 8 -6.159 2.210 -2.744 55 H SER 9 H SER 9 -6.807 1.993 -5.914 56 HA SER 9 HA SER 9 -8.717 4.198 -6.566 57 HB2 SER 9 1HB SER 9 -5.674 4.430 -6.151 58 HB3 SER 9 2HB SER 9 -6.706 5.675 -6.874 59 HG SER 9 HG SER 9 -6.269 5.793 -4.533 60 H ILE 10 H ILE 10 -8.282 5.185 -8.751 61 HA ILE 10 HA ILE 10 -7.615 3.151 -10.749 62 HB ILE 10 HB ILE 10 -8.073 6.172 -10.990 63 HG12 ILE 10 1HG1 ILE 10 -9.923 4.989 -10.023 64 HG13 ILE 10 2HG1 ILE 10 -10.363 5.649 -11.608 65 HG21 ILE 10 1HG2 ILE 10 -6.860 5.362 -12.980 66 HG22 ILE 10 2HG2 ILE 10 -7.942 3.981 -13.143 67 HG23 ILE 10 3HG2 ILE 10 -8.528 5.614 -13.467 68 HD11 ILE 10 3HD1 ILE 10 -11.325 3.423 -11.199 69 HD12 ILE 10 1HD1 ILE 10 -10.226 3.422 -12.608 70 HD13 ILE 10 2HD1 ILE 10 -9.685 2.755 -11.066 71 H CYS 11 H CYS 11 -5.630 2.735 -11.545 72 HA CYS 11 HA CYS 11 -3.626 4.970 -11.473 73 HB2 CYS 11 1HB CYS 11 -3.253 1.969 -10.983 74 HB3 CYS 11 2HB CYS 11 -1.909 3.049 -11.385 75 H SER 12 H SER 12 -2.294 4.971 -13.342 76 HA SER 12 HA SER 12 -3.381 3.472 -15.709 77 HB2 SER 12 1HB SER 12 -2.003 6.151 -15.525 78 HB3 SER 12 2HB SER 12 -2.644 5.435 -16.998 79 HG SER 12 HG SER 12 -4.206 6.041 -14.703 80 H LEU 13 H LEU 13 -1.733 3.094 -17.514 81 HA LEU 13 HA LEU 13 0.558 1.778 -16.798 82 HB2 LEU 13 1HB LEU 13 0.076 3.240 -19.339 83 HB3 LEU 13 2HB LEU 13 1.237 1.950 -19.220 84 HG LEU 13 HG LEU 13 -1.815 1.624 -18.721 85 HD11 LEU 13 1HD1 LEU 13 -0.099 1.250 -21.204 86 HD12 LEU 13 2HD1 LEU 13 -1.628 2.082 -21.009 87 HD13 LEU 13 3HD1 LEU 13 -1.604 0.325 -20.955 88 HD21 LEU 13 3HD2 LEU 13 0.490 -0.299 -18.762 89 HD22 LEU 13 1HD2 LEU 13 -1.215 -0.734 -18.950 90 HD23 LEU 13 2HD2 LEU 13 -0.687 0.023 -17.443 91 H TYR 14 H TYR 14 0.283 5.293 -17.284 92 HA TYR 14 HA TYR 14 3.048 5.775 -17.342 93 HB2 TYR 14 1HB TYR 14 1.227 7.353 -18.037 94 HB3 TYR 14 2HB TYR 14 0.968 7.750 -16.361 95 HD1 TYR 14 HD1 TYR 14 3.494 7.824 -19.195 96 HD2 TYR 14 HD2 TYR 14 2.578 8.954 -15.080 97 HE1 TYR 14 HE1 TYR 14 5.365 9.291 -19.281 98 HE2 TYR 14 HE2 TYR 14 4.105 10.969 -15.744 99 HH TYR 14 HH TYR 14 6.416 11.408 -16.776 100 H GLN 15 H GLN 15 0.837 5.382 -14.678 101 HA GLN 15 HA GLN 15 2.835 6.156 -12.697 102 HB2 GLN 15 1HB GLN 15 0.011 5.070 -12.585 103 HB3 GLN 15 2HB GLN 15 1.085 4.894 -11.163 104 HG2 GLN 15 1HG GLN 15 1.533 7.386 -11.428 105 HG3 GLN 15 2HG GLN 15 0.017 7.381 -12.329 106 HE21 GLN 15 2HE2 GLN 15 -1.819 7.494 -11.124 107 HE22 GLN 15 1HE2 GLN 15 -1.967 7.084 -9.422 108 H LEU 16 H LEU 16 1.583 3.074 -14.161 109 HA LEU 16 HA LEU 16 3.082 1.428 -12.333 110 HB2 LEU 16 1HB LEU 16 2.155 0.890 -15.139 111 HB3 LEU 16 2HB LEU 16 2.985 -0.273 -14.196 112 HG LEU 16 HG LEU 16 0.405 1.031 -13.269 113 HD11 LEU 16 1HD1 LEU 16 0.025 -0.039 -15.426 114 HD12 LEU 16 2HD1 LEU 16 -0.613 -1.107 -14.172 115 HD13 LEU 16 3HD1 LEU 16 0.936 -1.485 -14.967 116 HD21 LEU 16 3HD2 LEU 16 1.712 -0.126 -11.465 117 HD22 LEU 16 1HD2 LEU 16 1.974 -1.549 -12.499 118 HD23 LEU 16 2HD2 LEU 16 0.357 -1.160 -11.909 119 H GLU 17 H GLU 17 4.114 3.274 -15.136 120 HA GLU 17 HA GLU 17 6.517 1.896 -15.692 121 HB2 GLU 17 1HB GLU 17 5.765 4.759 -15.847 122 HB3 GLU 17 2HB GLU 17 7.386 4.188 -16.282 123 HG2 GLU 17 1HG GLU 17 6.471 2.884 -18.105 124 HG3 GLU 17 2HG GLU 17 4.844 3.225 -17.549 125 HE2 GLU 17 HE2 GLU 17 6.690 5.639 -19.942 126 H ASN 18 H ASN 18 5.689 3.938 -12.944 127 HA ASN 18 HA ASN 18 8.403 4.688 -12.269 128 HB2 ASN 18 1HB ASN 18 5.861 4.447 -10.562 129 HB3 ASN 18 2HB ASN 18 7.391 5.104 -9.968 130 HD21 ASN 18 2HD2 ASN 18 4.639 6.195 -10.353 131 HD22 ASN 18 1HD2 ASN 18 4.910 7.671 -11.274 132 H TYR 19 H TYR 19 6.824 1.635 -12.136 133 HA TYR 19 HA TYR 19 8.699 0.709 -9.915 134 HB2 TYR 19 1HB TYR 19 6.177 -0.591 -11.016 135 HB3 TYR 19 2HB TYR 19 7.121 -1.093 -9.569 136 HD1 TYR 19 HD1 TYR 19 7.310 0.791 -7.693 137 HD2 TYR 19 HD2 TYR 19 4.315 0.825 -10.805 138 HE1 TYR 19 HE1 TYR 19 5.904 2.378 -6.377 139 HE2 TYR 19 HE2 TYR 19 2.937 2.395 -9.491 140 HH TYR 19 HH TYR 19 4.018 3.792 -6.427 141 H CYS 20 H CYS 20 8.650 1.140 -13.123 142 HA CYS 20 HA CYS 20 10.118 -1.449 -13.682 143 HB2 CYS 20 1HB CYS 20 8.773 0.638 -15.493 144 HB3 CYS 20 2HB CYS 20 9.946 -0.580 -16.109 145 H ASN 21 H ASN 21 11.901 -0.403 -15.460 146 HA ASN 21 HA ASN 21 13.778 1.105 -13.884 147 HB2 ASN 21 1HB ASN 21 14.546 -0.298 -15.832 148 HB3 ASN 21 2HB ASN 21 13.672 0.732 -16.966 149 HD21 ASN 21 2HD2 ASN 21 16.607 0.442 -15.015 150 HD22 ASN 21 1HD2 ASN 21 17.315 1.945 -15.560 151 HXT ASN 21 H02 ASN 21 12.964 4.268 -14.298 152 H1 PHE 1 1H PHE 1 -6.284 -1.461 -24.308 153 H2 PHE 1 2H PHE 1 -7.166 -0.169 -24.299 154 HA PHE 1 HA PHE 1 -6.673 -1.688 -21.804 155 HB2 PHE 1 1HB PHE 1 -4.880 0.442 -22.991 156 HB3 PHE 1 2HB PHE 1 -4.865 -0.037 -21.314 157 HD1 PHE 1 HD2 PHE 1 -4.123 -1.152 -24.751 158 HD2 PHE 1 HD1 PHE 1 -3.791 -2.054 -20.523 159 HE1 PHE 1 HE2 PHE 1 -2.550 -2.941 -25.310 160 HE2 PHE 1 HE1 PHE 1 -2.098 -3.838 -21.130 161 HZ PHE 1 HZ PHE 1 -1.490 -4.312 -23.458 162 H VAL 2 H VAL 2 -7.831 -0.999 -20.281 163 HA VAL 2 HA VAL 2 -8.827 1.790 -20.218 164 HB VAL 2 HB VAL 2 -10.163 -0.767 -19.066 165 HG11 VAL 2 1HG1 VAL 2 -10.756 1.325 -17.832 166 HG12 VAL 2 2HG1 VAL 2 -11.253 2.131 -19.342 167 HG13 VAL 2 3HG1 VAL 2 -12.159 0.735 -18.718 168 HG21 VAL 2 3HG2 VAL 2 -10.311 -0.786 -21.561 169 HG22 VAL 2 1HG2 VAL 2 -11.905 -0.399 -20.873 170 HG23 VAL 2 2HG2 VAL 2 -10.909 0.896 -21.581 171 H ASN 3 H ASN 3 -8.150 2.944 -18.446 172 HA ASN 3 HA ASN 3 -6.399 1.654 -16.501 173 HB2 ASN 3 1HB ASN 3 -7.583 4.417 -16.699 174 HB3 ASN 3 2HB ASN 3 -6.394 3.890 -15.454 175 HD21 ASN 3 2HD2 ASN 3 -6.530 5.752 -17.996 176 HD22 ASN 3 1HD2 ASN 3 -5.064 5.337 -18.849 177 H GLN 4 H GLN 4 -6.895 0.818 -14.452 178 HA GLN 4 HA GLN 4 -9.412 1.594 -13.113 179 HB2 GLN 4 1HB GLN 4 -9.404 -0.533 -15.022 180 HB3 GLN 4 2HB GLN 4 -9.554 -1.280 -13.399 181 HG2 GLN 4 1HG GLN 4 -11.343 0.941 -14.372 182 HG3 GLN 4 2HG GLN 4 -11.773 -0.763 -14.715 183 HE21 GLN 4 2HE2 GLN 4 -13.524 0.730 -13.418 184 HE22 GLN 4 1HE2 GLN 4 -13.624 0.236 -11.746 185 H HIS 5 H HIS 5 -9.641 -0.428 -11.345 186 HA HIS 5 HA HIS 5 -7.331 0.108 -9.569 187 HB2 HIS 5 1HB HIS 5 -9.684 -1.885 -9.328 188 HB3 HIS 5 2HB HIS 5 -8.526 -1.491 -8.027 189 HD1 HIS 5 HD1 HIS 5 -9.840 -0.298 -6.317 190 HD2 HIS 5 HD2 HIS 5 -10.682 1.124 -10.164 191 HE1 HIS 5 HE1 HIS 5 -11.333 1.739 -6.060 192 HE2 HIS 5 H01 HIS 5 -11.915 2.494 -8.422 193 H LEU 6 H LEU 6 -5.802 -1.454 -8.955 194 HA LEU 6 HA LEU 6 -5.530 -3.891 -10.624 195 HB2 LEU 6 1HB LEU 6 -3.455 -1.902 -9.682 196 HB3 LEU 6 2HB LEU 6 -3.009 -3.383 -10.481 197 HG LEU 6 HG LEU 6 -4.641 -1.067 -11.681 198 HD11 LEU 6 1HD1 LEU 6 -2.602 -0.639 -12.915 199 HD12 LEU 6 2HD1 LEU 6 -1.748 -1.953 -12.082 200 HD13 LEU 6 3HD1 LEU 6 -2.253 -0.526 -11.180 201 HD21 LEU 6 3HD2 LEU 6 -3.554 -3.639 -12.898 202 HD22 LEU 6 1HD2 LEU 6 -4.087 -2.325 -13.885 203 HD23 LEU 6 2HD2 LEU 6 -5.233 -3.140 -12.844 204 H CYS 7 H CYS 7 -5.957 -5.528 -9.158 205 HA CYS 7 HA CYS 7 -4.284 -5.537 -6.663 206 HB2 CYS 7 1HB CYS 7 -6.984 -6.889 -6.877 207 HB3 CYS 7 2HB CYS 7 -6.106 -6.405 -5.416 208 H AIB 8 H AIB 8 -3.740 -7.743 -5.940 209 HB11 AIB 8 1HB1 AIB 8 -4.747 -11.539 -6.862 210 HB12 AIB 8 3HB1 AIB 8 -5.627 -10.167 -7.677 211 HB13 AIB 8 1HB2 AIB 8 -5.342 -10.163 -5.962 212 HB21 AIB 8 3HB2 AIB 8 -2.957 -10.007 -4.989 213 HB22 AIB 8 2HB1 AIB 8 -1.662 -9.468 -6.006 214 HB23 AIB 8 2HB2 AIB 8 -2.213 -11.123 -6.192 215 H SER 9 H SER 9 -4.089 -11.398 -8.951 216 HA SER 9 HA SER 9 -1.849 -11.333 -10.694 217 HB2 SER 9 1HB SER 9 -3.669 -13.063 -10.566 218 HB3 SER 9 2HB SER 9 -4.794 -11.912 -11.355 219 HG SER 9 HG SER 9 -2.983 -13.540 -12.485 220 H HIS 10 H HIS 10 -4.729 -9.228 -10.708 221 HA HIS 10 HA HIS 10 -4.338 -8.340 -13.423 222 HB2 HIS 10 1HB HIS 10 -5.501 -6.563 -11.329 223 HB3 HIS 10 2HB HIS 10 -6.042 -6.763 -13.023 224 HD1 HIS 10 HD1 HIS 10 -7.097 -9.304 -13.492 225 HD2 HIS 10 HD2 HIS 10 -7.191 -7.853 -9.591 226 HE1 HIS 10 HE1 HIS 10 -8.780 -10.720 -12.224 227 HE2 HIS 10 H01 HIS 10 -8.903 -9.806 -9.866 228 H LEU 11 H LEU 11 -3.169 -7.215 -10.343 229 HA LEU 11 HA LEU 11 -1.746 -4.864 -11.268 230 HB2 LEU 11 1HB LEU 11 -2.456 -5.395 -8.965 231 HB3 LEU 11 2HB LEU 11 -1.303 -6.697 -8.865 232 HG LEU 11 HG LEU 11 -0.545 -3.783 -9.116 233 HD11 LEU 11 1HD1 LEU 11 -0.299 -3.888 -6.625 234 HD12 LEU 11 2HD1 LEU 11 -1.052 -5.454 -6.635 235 HD13 LEU 11 3HD1 LEU 11 -1.935 -4.058 -7.150 236 HD21 LEU 11 3HD2 LEU 11 0.947 -6.273 -8.350 237 HD22 LEU 11 1HD2 LEU 11 1.533 -4.589 -8.021 238 HD23 LEU 11 2HD2 LEU 11 1.267 -5.134 -9.701 239 H VAL 12 H VAL 12 -0.770 -8.287 -10.733 240 HA VAL 12 HA VAL 12 1.979 -7.867 -11.388 241 HB VAL 12 HB VAL 12 0.179 -10.378 -11.723 242 HG11 VAL 12 1HG1 VAL 12 2.212 -11.725 -11.782 243 HG12 VAL 12 2HG1 VAL 12 2.150 -10.575 -13.129 244 HG13 VAL 12 3HG1 VAL 12 3.194 -10.238 -11.728 245 HG21 VAL 12 3HG2 VAL 12 1.136 -11.167 -9.534 246 HG22 VAL 12 1HG2 VAL 12 2.081 -9.694 -9.428 247 HG23 VAL 12 2HG2 VAL 12 0.316 -9.606 -9.351 248 H GLU 13 H GLU 13 -0.829 -8.885 -13.403 249 HA GLU 13 HA GLU 13 0.603 -9.210 -15.800 250 HB2 GLU 13 1HB GLU 13 -1.656 -10.067 -15.071 251 HB3 GLU 13 2HB GLU 13 -2.282 -8.430 -15.445 252 HG2 GLU 13 1HG GLU 13 -2.790 -9.905 -17.329 253 HG3 GLU 13 2HG GLU 13 -1.498 -8.812 -17.808 254 HE2 GLU 13 HE2 GLU 13 -0.156 -9.758 -18.822 255 H ALA 14 H ALA 14 -1.144 -6.260 -14.561 256 HA ALA 14 HA ALA 14 -0.743 -4.766 -16.981 257 HB1 ALA 14 3HB ALA 14 -2.421 -4.187 -15.194 258 HB2 ALA 14 1HB ALA 14 -1.129 -3.660 -14.131 259 HB3 ALA 14 2HB ALA 14 -1.414 -2.831 -15.721 260 H LEU 15 H LEU 15 1.178 -5.225 -13.962 261 HA LEU 15 HA LEU 15 3.127 -3.197 -14.739 262 HB2 LEU 15 1HB LEU 15 2.949 -4.121 -12.425 263 HB3 LEU 15 2HB LEU 15 3.589 -5.617 -12.988 264 HG LEU 15 HG LEU 15 5.759 -4.461 -13.463 265 HD11 LEU 15 1HD1 LEU 15 6.183 -2.186 -12.758 266 HD12 LEU 15 2HD1 LEU 15 4.513 -1.983 -12.147 267 HD13 LEU 15 3HD1 LEU 15 4.870 -2.140 -13.923 268 HD21 LEU 15 3HD2 LEU 15 4.727 -3.883 -10.672 269 HD22 LEU 15 1HD2 LEU 15 6.416 -4.015 -11.144 270 HD23 LEU 15 2HD2 LEU 15 5.363 -5.435 -11.193 271 H TYR 16 H TYR 16 2.890 -6.766 -15.262 272 HA TYR 16 HA TYR 16 5.409 -6.979 -16.513 273 HB2 TYR 16 1HB TYR 16 4.194 -8.966 -15.772 274 HB3 TYR 16 2HB TYR 16 2.903 -8.672 -16.953 275 HD1 TYR 16 HD2 TYR 16 6.659 -9.015 -16.806 276 HD2 TYR 16 HD1 TYR 16 3.082 -9.971 -18.939 277 HE1 TYR 16 HE2 TYR 16 8.019 -10.412 -18.468 278 HE2 TYR 16 HE1 TYR 16 4.402 -11.217 -20.612 279 HH TYR 16 HH TYR 16 6.454 -12.021 -21.192 280 H LEU 17 H LEU 17 2.163 -6.292 -17.850 281 HA LEU 17 HA LEU 17 3.005 -6.291 -20.589 282 HB2 LEU 17 1HB LEU 17 0.653 -5.010 -19.166 283 HB3 LEU 17 2HB LEU 17 0.956 -4.693 -20.852 284 HG LEU 17 HG LEU 17 0.818 -7.486 -19.755 285 HD11 LEU 17 1HD1 LEU 17 -1.300 -6.239 -19.247 286 HD12 LEU 17 2HD1 LEU 17 -1.515 -7.613 -20.273 287 HD13 LEU 17 3HD1 LEU 17 -1.487 -5.967 -20.941 288 HD21 LEU 17 3HD2 LEU 17 0.331 -8.124 -22.083 289 HD22 LEU 17 1HD2 LEU 17 1.802 -7.173 -22.026 290 HD23 LEU 17 2HD2 LEU 17 0.276 -6.447 -22.553 291 H VAL 18 H VAL 18 3.083 -3.634 -18.123 292 HA VAL 18 HA VAL 18 3.694 -1.758 -20.278 293 HB VAL 18 HB VAL 18 2.461 -1.062 -18.145 294 HG11 VAL 18 1HG1 VAL 18 5.190 -1.032 -16.889 295 HG12 VAL 18 2HG1 VAL 18 3.735 -0.377 -16.178 296 HG13 VAL 18 3HG1 VAL 18 3.853 -2.109 -16.433 297 HG21 VAL 18 3HG2 VAL 18 3.624 0.459 -19.821 298 HG22 VAL 18 1HG2 VAL 18 3.188 1.150 -18.269 299 HG23 VAL 18 2HG2 VAL 18 4.874 0.662 -18.612 300 H CYS 19 H CYS 19 5.491 -3.754 -17.997 301 HA CYS 19 HA CYS 19 8.030 -2.390 -18.435 302 HB2 CYS 19 1HB CYS 19 6.948 -4.486 -16.796 303 HB3 CYS 19 2HB CYS 19 8.427 -5.035 -17.618 304 H GLY 20 H GLY 20 5.986 -4.699 -20.105 305 HA2 GLY 20 1HA GLY 20 6.323 -5.677 -22.138 306 HA3 GLY 20 2HA GLY 20 8.016 -5.011 -22.211 307 H GLU 21 H GLU 21 8.234 -7.297 -23.013 308 HA GLU 21 HA GLU 21 8.160 -9.482 -21.137 309 HB2 GLU 21 1HB GLU 21 9.461 -9.126 -23.849 310 HB3 GLU 21 2HB GLU 21 9.689 -10.589 -22.874 311 HG2 GLU 21 1HG GLU 21 7.125 -10.806 -22.925 312 HG3 GLU 21 2HG GLU 21 7.141 -9.518 -24.091 313 HE2 GLU 21 HE2 GLU 21 7.713 -13.156 -25.180 314 H ARG 22 H ARG 22 10.106 -6.768 -21.153 315 HA ARG 22 HA ARG 22 12.703 -7.978 -20.539 316 HB2 ARG 22 1HB ARG 22 11.416 -5.221 -20.112 317 HB3 ARG 22 2HB ARG 22 12.961 -5.669 -19.367 318 HG2 ARG 22 1HG ARG 22 13.657 -4.609 -21.288 319 HG3 ARG 22 2HG ARG 22 13.727 -6.288 -21.809 320 HD2 ARG 22 1HD ARG 22 11.138 -4.812 -22.348 321 HD3 ARG 22 2HD ARG 22 12.578 -4.289 -23.275 322 HE ARG 22 HE ARG 22 12.379 -7.104 -23.329 323 HH11 ARG 22 1HH1 ARG 22 10.499 -4.393 -24.600 324 HH12 ARG 22 2HH1 ARG 22 9.850 -5.315 -25.943 325 HH21 ARG 22 1HH2 ARG 22 11.543 -8.249 -25.054 326 HH22 ARG 22 2HH2 ARG 22 10.435 -7.499 -26.123 327 H GLY 23 H GLY 23 9.762 -7.407 -18.762 328 HA2 GLY 23 1HA GLY 23 9.181 -8.387 -16.733 329 HA3 GLY 23 2HA GLY 23 10.879 -9.012 -16.534 330 H PHE 24 H PHE 24 9.971 -8.281 -14.282 331 HA PHE 24 HA PHE 24 11.269 -5.663 -13.745 332 HB2 PHE 24 1HB PHE 24 9.420 -5.078 -12.162 333 HB3 PHE 24 2HB PHE 24 8.921 -5.053 -13.865 334 HD1 PHE 24 HD1 PHE 24 8.624 -7.012 -10.655 335 HD2 PHE 24 HD2 PHE 24 7.221 -6.516 -14.672 336 HE1 PHE 24 HE1 PHE 24 6.701 -8.467 -10.160 337 HE2 PHE 24 HE2 PHE 24 5.228 -8.023 -14.158 338 HZ PHE 24 HZ PHE 24 4.985 -8.969 -11.861 339 H PHE 25 H PHE 25 11.597 -5.382 -11.329 340 HA PHE 25 HA PHE 25 11.826 -8.066 -9.997 341 HB2 PHE 25 1HB PHE 25 13.819 -5.834 -10.220 342 HB3 PHE 25 2HB PHE 25 13.970 -7.047 -8.987 343 HD1 PHE 25 HD1 PHE 25 13.196 -9.547 -10.372 344 HD2 PHE 25 HD2 PHE 25 15.543 -6.146 -11.699 345 HE1 PHE 25 HE1 PHE 25 14.395 -11.004 -12.024 346 HE2 PHE 25 HE2 PHE 25 16.804 -7.653 -13.293 347 HZ PHE 25 HZ PHE 25 16.237 -10.105 -13.457 348 H TYR 26 H TYR 26 9.864 -5.808 -9.833 349 HA TYR 26 HA TYR 26 10.142 -4.665 -7.209 350 HB2 TYR 26 1HB TYR 26 8.517 -3.672 -8.620 351 HB3 TYR 26 2HB TYR 26 7.830 -5.217 -9.020 352 HD1 TYR 26 HD2 TYR 26 8.181 -2.950 -6.058 353 HD2 TYR 26 HD1 TYR 26 5.901 -6.043 -7.987 354 HE1 TYR 26 HE2 TYR 26 6.397 -2.797 -4.233 355 HE2 TYR 26 HE1 TYR 26 4.196 -5.921 -6.292 356 HH TYR 26 HH TYR 26 3.548 -4.948 -4.187 357 H THR 27 H THR 27 9.001 -7.692 -8.411 358 HA THR 27 HA THR 27 9.531 -9.020 -5.898 359 HB THR 27 HB THR 27 7.154 -8.286 -5.476 360 HG1 THR 27 HG1 THR 27 7.276 -10.133 -4.487 361 HG21 THR 27 1HG2 THR 27 5.347 -9.106 -6.863 362 HG22 THR 27 2HG2 THR 27 6.505 -9.954 -7.939 363 HG23 THR 27 3HG2 THR 27 6.509 -8.173 -7.820 364 H LYS 28 H LYS 28 9.206 -11.553 -6.521 365 HA LYS 28 HA LYS 28 9.961 -11.732 -9.407 366 HB2 LYS 28 1HB LYS 28 9.772 -13.890 -7.276 367 HB3 LYS 28 2HB LYS 28 10.435 -14.068 -8.896 368 HG2 LYS 28 1HG LYS 28 11.563 -12.099 -6.849 369 HG3 LYS 28 2HG LYS 28 12.160 -13.752 -7.042 370 HD2 LYS 28 1HD LYS 28 12.625 -13.354 -9.395 371 HD3 LYS 28 2HD LYS 28 12.272 -11.601 -9.133 372 HE2 LYS 28 1HE LYS 28 13.959 -11.622 -7.205 373 HE3 LYS 28 2HE LYS 28 14.457 -13.267 -7.688 374 HZ1 LYS 28 3HZ LYS 28 15.276 -12.436 -9.754 375 HZ2 LYS 28 1HZ LYS 28 15.804 -11.331 -8.609 376 HZ3 LYS 28 2HZ LYS 28 14.518 -11.012 -9.628 377 HA PRO 29 HA PRO 29 5.626 -12.681 -10.076 378 HB2 PRO 29 1HB PRO 29 5.650 -12.986 -12.816 379 HB3 PRO 29 2HB PRO 29 5.887 -11.383 -12.046 380 HG2 PRO 29 1HG PRO 29 7.967 -13.265 -13.186 381 HG3 PRO 29 2HG PRO 29 7.755 -11.494 -13.379 382 HD2 PRO 29 1HD PRO 29 9.501 -12.542 -11.540 383 HD3 PRO 29 2HD PRO 29 8.685 -10.989 -11.262 384 H THR 30 H THR 30 6.378 -14.682 -8.785 385 HA THR 30 HA THR 30 6.933 -17.153 -10.228 386 HB THR 30 HB THR 30 6.379 -18.190 -7.877 387 HG1 THR 30 HG1 THR 30 6.007 -16.556 -6.230 388 HG21 THR 30 1HG2 THR 30 8.412 -17.389 -6.952 389 HG22 THR 30 2HG2 THR 30 8.265 -15.784 -7.578 390 HG23 THR 30 3HG2 THR 30 8.654 -17.173 -8.663 391 HXT THR 30 H02 THR 30 5.186 -16.477 -11.529 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 5.687 1.546 -1.972 2 H2 GLY 1 2H GLY 1 5.417 2.080 -3.481 3 HA2 GLY 1 1HA GLY 1 3.476 1.036 -1.396 4 HA3 GLY 1 2HA GLY 1 3.506 2.653 -2.083 5 H ILE 2 H ILE 2 3.765 -0.401 -3.661 6 HA ILE 2 HA ILE 2 2.074 0.215 -5.839 7 HB ILE 2 HB ILE 2 2.809 -2.540 -4.726 8 HG12 ILE 2 1HG1 ILE 2 4.078 -0.976 -6.968 9 HG13 ILE 2 2HG1 ILE 2 4.661 -0.862 -5.339 10 HG21 ILE 2 1HG2 ILE 2 0.958 -2.941 -6.253 11 HG22 ILE 2 2HG2 ILE 2 1.505 -1.664 -7.374 12 HG23 ILE 2 3HG2 ILE 2 2.376 -3.200 -7.275 13 HD11 ILE 2 3HD1 ILE 2 4.580 -3.294 -7.139 14 HD12 ILE 2 1HD1 ILE 2 6.008 -2.387 -6.619 15 HD13 ILE 2 2HD1 ILE 2 5.060 -3.359 -5.445 16 H VAL 3 H VAL 3 1.341 -1.750 -2.928 17 HA VAL 3 HA VAL 3 -1.302 -2.172 -3.912 18 HB VAL 3 HB VAL 3 -1.764 -3.140 -1.735 19 HG11 VAL 3 1HG1 VAL 3 0.913 -3.924 -2.971 20 HG12 VAL 3 2HG1 VAL 3 0.023 -4.889 -1.811 21 HG13 VAL 3 3HG1 VAL 3 -0.678 -4.511 -3.377 22 HG21 VAL 3 3HG2 VAL 3 -0.021 -3.295 0.020 23 HG22 VAL 3 1HG2 VAL 3 0.967 -2.094 -0.893 24 HG23 VAL 3 2HG2 VAL 3 -0.660 -1.639 -0.226 25 H GLU 4 H GLU 4 0.171 0.273 -1.825 26 HA GLU 4 HA GLU 4 -2.290 1.410 -0.871 27 HB2 GLU 4 1HB GLU 4 -0.132 1.767 0.168 28 HB3 GLU 4 2HB GLU 4 0.454 2.599 -1.240 29 HG2 GLU 4 1HG GLU 4 -1.324 4.303 -0.962 30 HG3 GLU 4 2HG GLU 4 -1.789 3.449 0.535 31 HE2 GLU 4 HE2 GLU 4 -1.301 5.783 0.790 32 H GLN 5 H GLN 5 -0.341 1.892 -3.803 33 HA GLN 5 HA GLN 5 -1.909 4.152 -4.662 34 HB2 GLN 5 1HB GLN 5 0.541 3.622 -5.268 35 HB3 GLN 5 2HB GLN 5 -0.142 2.445 -6.428 36 HG2 GLN 5 1HG GLN 5 -1.309 4.214 -7.548 37 HG3 GLN 5 2HG GLN 5 -0.777 5.377 -6.354 38 HE21 GLN 5 2HE2 GLN 5 0.871 6.609 -7.079 39 HE22 GLN 5 1HE2 GLN 5 2.108 6.048 -8.189 40 H CYS 6 H CYS 6 -1.810 0.677 -5.476 41 HA CYS 6 HA CYS 6 -4.018 1.159 -7.448 42 HB2 CYS 6 1HB CYS 6 -2.012 -1.068 -7.232 43 HB3 CYS 6 2HB CYS 6 -3.269 -0.937 -8.470 44 H CYS 7 H CYS 7 -3.446 -0.879 -4.519 45 HA CYS 7 HA CYS 7 -5.716 -2.618 -5.366 46 HB2 CYS 7 1HB CYS 7 -3.883 -2.703 -2.954 47 HB3 CYS 7 2HB CYS 7 -5.196 -3.846 -3.237 48 H THR 8 H THR 8 -5.196 0.175 -3.350 49 HA THR 8 HA THR 8 -7.848 -0.300 -2.070 50 HB THR 8 HB THR 8 -5.852 -0.191 -0.486 51 HG1 THR 8 HG1 THR 8 -7.178 1.710 0.639 52 HG21 THR 8 1HG2 THR 8 -4.666 1.736 -1.602 53 HG22 THR 8 2HG2 THR 8 -5.015 2.047 0.100 54 HG23 THR 8 3HG2 THR 8 -6.015 2.773 -1.167 55 H SER 9 H SER 9 -6.205 1.425 -4.416 56 HA SER 9 HA SER 9 -8.337 3.499 -4.532 57 HB2 SER 9 1HB SER 9 -5.379 3.892 -5.047 58 HB3 SER 9 2HB SER 9 -6.584 5.103 -5.329 59 HG SER 9 HG SER 9 -5.434 5.311 -3.282 60 H ILE 10 H ILE 10 -7.811 4.526 -6.950 61 HA ILE 10 HA ILE 10 -7.495 2.169 -8.794 62 HB ILE 10 HB ILE 10 -8.733 4.852 -9.624 63 HG12 ILE 10 1HG1 ILE 10 -10.184 4.004 -7.887 64 HG13 ILE 10 2HG1 ILE 10 -10.945 3.764 -9.463 65 HG21 ILE 10 1HG2 ILE 10 -8.119 3.626 -11.587 66 HG22 ILE 10 2HG2 ILE 10 -8.530 2.051 -10.873 67 HG23 ILE 10 3HG2 ILE 10 -9.813 3.165 -11.372 68 HD11 ILE 10 3HD1 ILE 10 -9.610 1.544 -7.837 69 HD12 ILE 10 1HD1 ILE 10 -11.338 1.744 -8.148 70 HD13 ILE 10 2HD1 ILE 10 -10.258 1.376 -9.483 71 H CYS 11 H CYS 11 -5.843 2.305 -10.295 72 HA CYS 11 HA CYS 11 -4.272 4.834 -10.381 73 HB2 CYS 11 1HB CYS 11 -2.212 3.692 -10.047 74 HB3 CYS 11 2HB CYS 11 -3.241 3.156 -8.734 75 H SER 12 H SER 12 -2.628 4.630 -12.256 76 HA SER 12 HA SER 12 -3.857 3.015 -14.465 77 HB2 SER 12 1HB SER 12 -2.760 5.824 -14.831 78 HB3 SER 12 2HB SER 12 -3.645 4.873 -16.015 79 HG SER 12 HG SER 12 -4.883 6.468 -14.852 80 H LEU 13 H LEU 13 -2.418 2.951 -16.512 81 HA LEU 13 HA LEU 13 -0.102 1.422 -15.995 82 HB2 LEU 13 1HB LEU 13 -1.342 2.690 -18.418 83 HB3 LEU 13 2HB LEU 13 0.261 1.887 -18.552 84 HG LEU 13 HG LEU 13 -0.701 -0.175 -17.579 85 HD11 LEU 13 1HD1 LEU 13 -2.665 0.292 -16.340 86 HD12 LEU 13 2HD1 LEU 13 -3.276 -0.494 -17.811 87 HD13 LEU 13 3HD1 LEU 13 -3.380 1.260 -17.699 88 HD21 LEU 13 3HD2 LEU 13 -0.448 0.156 -20.080 89 HD22 LEU 13 1HD2 LEU 13 -2.147 0.660 -20.150 90 HD23 LEU 13 2HD2 LEU 13 -1.682 -1.017 -19.651 91 H TYR 14 H TYR 14 -0.342 5.014 -16.559 92 HA TYR 14 HA TYR 14 2.434 5.543 -17.040 93 HB2 TYR 14 1HB TYR 14 0.479 7.196 -17.337 94 HB3 TYR 14 2HB TYR 14 0.331 7.261 -15.623 95 HD1 TYR 14 HD2 TYR 14 2.997 7.736 -18.172 96 HD2 TYR 14 HD1 TYR 14 1.406 8.895 -14.309 97 HE1 TYR 14 HE2 TYR 14 5.106 8.973 -17.384 98 HE2 TYR 14 HE1 TYR 14 3.092 10.583 -14.061 99 HH TYR 14 HH TYR 14 5.203 11.252 -14.726 100 H GLN 15 H GLN 15 0.525 5.425 -14.011 101 HA GLN 15 HA GLN 15 2.839 6.038 -12.363 102 HB2 GLN 15 1HB GLN 15 0.193 4.650 -11.665 103 HB3 GLN 15 2HB GLN 15 1.427 5.105 -10.538 104 HG2 GLN 15 1HG GLN 15 0.279 6.979 -10.290 105 HG3 GLN 15 2HG GLN 15 1.056 7.466 -11.805 106 HE21 GLN 15 2HE2 GLN 15 -1.830 7.364 -10.247 107 HE22 GLN 15 1HE2 GLN 15 -2.913 7.143 -11.633 108 H LEU 16 H LEU 16 1.342 3.000 -13.610 109 HA LEU 16 HA LEU 16 2.894 1.255 -11.950 110 HB2 LEU 16 1HB LEU 16 1.795 0.815 -14.680 111 HB3 LEU 16 2HB LEU 16 2.565 -0.443 -13.729 112 HG LEU 16 HG LEU 16 -0.035 1.041 -13.069 113 HD11 LEU 16 1HD1 LEU 16 -1.056 -1.203 -13.600 114 HD12 LEU 16 2HD1 LEU 16 0.547 -1.920 -13.818 115 HD13 LEU 16 3HD1 LEU 16 -0.068 -0.716 -14.952 116 HD21 LEU 16 3HD2 LEU 16 1.059 0.388 -10.944 117 HD22 LEU 16 1HD2 LEU 16 1.346 -1.248 -11.562 118 HD23 LEU 16 2HD2 LEU 16 -0.310 -0.656 -11.259 119 H GLU 17 H GLU 17 3.821 2.957 -14.898 120 HA GLU 17 HA GLU 17 6.119 1.439 -15.598 121 HB2 GLU 17 1HB GLU 17 5.445 4.347 -15.927 122 HB3 GLU 17 2HB GLU 17 6.980 3.690 -16.493 123 HG2 GLU 17 1HG GLU 17 5.767 2.235 -17.999 124 HG3 GLU 17 2HG GLU 17 4.236 2.733 -17.389 125 HE2 GLU 17 HE2 GLU 17 6.366 3.156 -19.606 126 H ASN 18 H ASN 18 5.587 3.602 -12.931 127 HA ASN 18 HA ASN 18 8.364 4.307 -12.537 128 HB2 ASN 18 1HB ASN 18 6.009 4.321 -10.711 129 HB3 ASN 18 2HB ASN 18 7.640 4.897 -10.229 130 HD21 ASN 18 2HD2 ASN 18 5.106 6.409 -10.497 131 HD22 ASN 18 1HD2 ASN 18 5.444 7.707 -11.650 132 H TYR 19 H TYR 19 6.587 1.418 -11.817 133 HA TYR 19 HA TYR 19 8.457 0.554 -9.712 134 HB2 TYR 19 1HB TYR 19 6.147 -0.926 -10.947 135 HB3 TYR 19 2HB TYR 19 7.033 -1.429 -9.494 136 HD1 TYR 19 HD2 TYR 19 7.235 0.501 -7.599 137 HD2 TYR 19 HD1 TYR 19 4.143 0.254 -10.604 138 HE1 TYR 19 HE2 TYR 19 5.717 2.015 -6.232 139 HE2 TYR 19 HE1 TYR 19 2.663 1.881 -9.209 140 HH TYR 19 HH TYR 19 2.558 3.096 -7.357 141 H CYS 20 H CYS 20 8.574 0.803 -12.993 142 HA CYS 20 HA CYS 20 10.044 -1.749 -13.426 143 HB2 CYS 20 1HB CYS 20 9.618 0.419 -15.504 144 HB3 CYS 20 2HB CYS 20 9.904 -1.312 -15.742 145 H ASN 21 H ASN 21 12.072 -1.140 -14.967 146 HA ASN 21 HA ASN 21 13.899 0.520 -13.568 147 HB2 ASN 21 1HB ASN 21 14.791 -1.266 -15.016 148 HB3 ASN 21 2HB ASN 21 13.887 -0.731 -16.442 149 HD21 ASN 21 2HD2 ASN 21 14.995 0.351 -17.854 150 HD22 ASN 21 1HD2 ASN 21 16.471 1.318 -17.500 151 HXT ASN 21 H02 ASN 21 12.289 2.637 -16.520 152 H1 PHE 1 1H PHE 1 -6.639 -6.510 -16.348 153 H2 PHE 1 2H PHE 1 -8.193 -6.892 -16.465 154 HA PHE 1 HA PHE 1 -7.285 -4.116 -16.382 155 HB2 PHE 1 1HB PHE 1 -7.771 -5.983 -18.736 156 HB3 PHE 1 2HB PHE 1 -7.850 -4.223 -18.877 157 HD1 PHE 1 HD2 PHE 1 -5.832 -2.768 -18.362 158 HD2 PHE 1 HD1 PHE 1 -5.556 -7.085 -18.532 159 HE1 PHE 1 HE2 PHE 1 -3.351 -2.686 -18.593 160 HE2 PHE 1 HE1 PHE 1 -3.169 -6.918 -18.633 161 HZ PHE 1 HZ PHE 1 -2.044 -4.703 -18.731 162 H VAL 2 H VAL 2 -8.992 -3.963 -14.834 163 HA VAL 2 HA VAL 2 -11.651 -3.249 -16.174 164 HB VAL 2 HB VAL 2 -11.665 -4.173 -13.289 165 HG11 VAL 2 1HG1 VAL 2 -13.959 -4.834 -13.855 166 HG12 VAL 2 2HG1 VAL 2 -13.685 -3.146 -14.349 167 HG13 VAL 2 3HG1 VAL 2 -13.694 -4.455 -15.560 168 HG21 VAL 2 3HG2 VAL 2 -10.583 -6.148 -14.156 169 HG22 VAL 2 1HG2 VAL 2 -12.330 -6.526 -14.023 170 HG23 VAL 2 2HG2 VAL 2 -11.593 -6.162 -15.633 171 H ASN 3 H ASN 3 -12.711 -1.458 -14.866 172 HA ASN 3 HA ASN 3 -10.797 0.429 -13.883 173 HB2 ASN 3 1HB ASN 3 -12.624 1.947 -13.680 174 HB3 ASN 3 2HB ASN 3 -12.849 1.015 -15.180 175 HD21 ASN 3 2HD2 ASN 3 -14.808 2.389 -13.211 176 HD22 ASN 3 1HD2 ASN 3 -15.974 1.142 -12.926 177 H GLN 4 H GLN 4 -11.760 -2.219 -12.436 178 HA GLN 4 HA GLN 4 -12.573 -1.286 -9.766 179 HB2 GLN 4 1HB GLN 4 -12.178 -3.735 -11.244 180 HB3 GLN 4 2HB GLN 4 -11.335 -3.829 -9.747 181 HG2 GLN 4 1HG GLN 4 -13.315 -3.590 -8.452 182 HG3 GLN 4 2HG GLN 4 -14.255 -3.029 -9.856 183 HE21 GLN 4 2HE2 GLN 4 -15.211 -4.375 -11.244 184 HE22 GLN 4 1HE2 GLN 4 -15.184 -6.127 -11.063 185 H HIS 5 H HIS 5 -10.955 -2.105 -7.876 186 HA HIS 5 HA HIS 5 -8.432 -0.713 -8.061 187 HB2 HIS 5 1HB HIS 5 -9.220 -3.126 -6.418 188 HB3 HIS 5 2HB HIS 5 -7.790 -2.119 -6.094 189 HD1 HIS 5 HD1 HIS 5 -8.445 0.545 -5.704 190 HD2 HIS 5 HD2 HIS 5 -11.322 -2.356 -5.033 191 HE1 HIS 5 HE1 HIS 5 -10.217 1.632 -4.273 192 HE2 HIS 5 H01 HIS 5 -11.977 -0.132 -3.814 193 H LEU 6 H LEU 6 -6.506 -1.243 -8.944 194 HA LEU 6 HA LEU 6 -6.345 -3.784 -10.461 195 HB2 LEU 6 1HB LEU 6 -4.504 -1.376 -10.111 196 HB3 LEU 6 2HB LEU 6 -3.937 -2.875 -10.828 197 HG LEU 6 HG LEU 6 -5.811 -2.533 -12.581 198 HD11 LEU 6 1HD1 LEU 6 -6.248 0.011 -12.977 199 HD12 LEU 6 2HD1 LEU 6 -5.867 0.178 -11.258 200 HD13 LEU 6 3HD1 LEU 6 -7.235 -0.829 -11.795 201 HD21 LEU 6 3HD2 LEU 6 -3.438 -2.293 -13.027 202 HD22 LEU 6 1HD2 LEU 6 -3.451 -0.664 -12.356 203 HD23 LEU 6 2HD2 LEU 6 -4.336 -1.025 -13.878 204 H CYS 7 H CYS 7 -6.107 -5.528 -9.161 205 HA CYS 7 HA CYS 7 -3.685 -5.687 -7.486 206 HB2 CYS 7 1HB CYS 7 -6.045 -5.076 -6.245 207 HB3 CYS 7 2HB CYS 7 -6.119 -6.832 -6.216 208 H AIB 8 H AIB 8 -4.151 -8.194 -6.569 209 HB11 AIB 8 1HB1 AIB 8 -6.493 -10.034 -7.356 210 HB12 AIB 8 3HB1 AIB 8 -5.899 -11.394 -8.344 211 HB13 AIB 8 1HB2 AIB 8 -6.217 -9.862 -9.121 212 HB21 AIB 8 3HB2 AIB 8 -2.760 -10.241 -6.530 213 HB22 AIB 8 2HB1 AIB 8 -3.724 -11.684 -6.863 214 HB23 AIB 8 2HB2 AIB 8 -4.373 -10.474 -5.828 215 H SER 9 H SER 9 -4.403 -11.743 -9.708 216 HA SER 9 HA SER 9 -1.902 -11.512 -10.936 217 HB2 SER 9 1HB SER 9 -2.968 -12.956 -12.620 218 HB3 SER 9 2HB SER 9 -3.315 -13.511 -10.962 219 HG SER 9 HG SER 9 -5.213 -13.503 -12.207 220 H HIS 10 H HIS 10 -4.914 -9.793 -11.445 221 HA HIS 10 HA HIS 10 -4.567 -8.811 -14.107 222 HB2 HIS 10 1HB HIS 10 -5.878 -7.169 -11.978 223 HB3 HIS 10 2HB HIS 10 -6.375 -7.422 -13.668 224 HD1 HIS 10 HD1 HIS 10 -7.881 -7.936 -10.701 225 HD2 HIS 10 HD2 HIS 10 -6.697 -10.621 -13.694 226 HE1 HIS 10 HE1 HIS 10 -9.321 -10.092 -10.416 227 HE2 HIS 10 H01 HIS 10 -8.611 -11.677 -12.237 228 H LEU 11 H LEU 11 -3.516 -7.492 -10.958 229 HA LEU 11 HA LEU 11 -2.333 -5.068 -12.015 230 HB2 LEU 11 1HB LEU 11 -2.805 -5.384 -9.636 231 HB3 LEU 11 2HB LEU 11 -1.736 -6.770 -9.596 232 HG LEU 11 HG LEU 11 -0.116 -4.691 -10.538 233 HD11 LEU 11 1HD1 LEU 11 -1.785 -3.771 -8.193 234 HD12 LEU 11 2HD1 LEU 11 -1.777 -3.085 -9.802 235 HD13 LEU 11 3HD1 LEU 11 -0.339 -2.987 -8.801 236 HD21 LEU 11 3HD2 LEU 11 0.519 -6.572 -9.045 237 HD22 LEU 11 1HD2 LEU 11 -0.381 -5.839 -7.730 238 HD23 LEU 11 2HD2 LEU 11 1.037 -5.015 -8.397 239 H VAL 12 H VAL 12 -1.039 -8.305 -11.201 240 HA VAL 12 HA VAL 12 1.678 -7.807 -11.773 241 HB VAL 12 HB VAL 12 0.156 -10.434 -12.142 242 HG11 VAL 12 1HG1 VAL 12 3.179 -10.091 -11.872 243 HG12 VAL 12 2HG1 VAL 12 2.299 -11.609 -11.951 244 HG13 VAL 12 3HG1 VAL 12 2.339 -10.567 -13.348 245 HG21 VAL 12 3HG2 VAL 12 1.330 -10.940 -9.877 246 HG22 VAL 12 1HG2 VAL 12 1.614 -9.191 -9.766 247 HG23 VAL 12 2HG2 VAL 12 -0.039 -9.830 -9.852 248 H GLU 13 H GLU 13 -1.010 -8.837 -13.906 249 HA GLU 13 HA GLU 13 0.656 -9.314 -16.226 250 HB2 GLU 13 1HB GLU 13 -1.718 -10.152 -15.863 251 HB3 GLU 13 2HB GLU 13 -2.271 -8.502 -16.255 252 HG2 GLU 13 1HG GLU 13 -1.083 -8.766 -18.520 253 HG3 GLU 13 2HG GLU 13 -0.808 -10.482 -18.099 254 HE2 GLU 13 HE2 GLU 13 -3.943 -9.760 -19.945 255 H ALA 14 H ALA 14 -1.263 -6.527 -15.152 256 HA ALA 14 HA ALA 14 -0.736 -4.837 -17.354 257 HB1 ALA 14 3HB ALA 14 -2.469 -4.379 -15.649 258 HB2 ALA 14 1HB ALA 14 -1.208 -4.182 -14.390 259 HB3 ALA 14 2HB ALA 14 -1.330 -2.987 -15.756 260 H LEU 15 H LEU 15 1.021 -5.284 -14.316 261 HA LEU 15 HA LEU 15 2.965 -3.281 -14.850 262 HB2 LEU 15 1HB LEU 15 2.643 -5.544 -12.921 263 HB3 LEU 15 2HB LEU 15 4.261 -4.948 -13.205 264 HG LEU 15 HG LEU 15 2.039 -3.117 -12.420 265 HD11 LEU 15 1HD1 LEU 15 3.954 -4.632 -10.602 266 HD12 LEU 15 2HD1 LEU 15 2.227 -4.911 -10.753 267 HD13 LEU 15 3HD1 LEU 15 2.841 -3.382 -10.090 268 HD21 LEU 15 3HD2 LEU 15 4.037 -2.051 -13.318 269 HD22 LEU 15 1HD2 LEU 15 5.079 -2.987 -12.218 270 HD23 LEU 15 2HD2 LEU 15 3.964 -1.785 -11.584 271 H TYR 16 H TYR 16 2.936 -6.806 -15.388 272 HA TYR 16 HA TYR 16 5.508 -7.036 -16.448 273 HB2 TYR 16 1HB TYR 16 3.890 -8.907 -15.847 274 HB3 TYR 16 2HB TYR 16 3.010 -8.518 -17.362 275 HD1 TYR 16 HD2 TYR 16 6.397 -9.457 -16.006 276 HD2 TYR 16 HD1 TYR 16 3.764 -9.400 -19.434 277 HE1 TYR 16 HE2 TYR 16 7.972 -10.950 -17.255 278 HE2 TYR 16 HE1 TYR 16 5.329 -10.930 -20.683 279 HH TYR 16 HH TYR 16 8.413 -12.091 -19.083 280 H LEU 17 H LEU 17 2.400 -6.028 -18.048 281 HA LEU 17 HA LEU 17 3.628 -6.000 -20.672 282 HB2 LEU 17 1HB LEU 17 1.110 -4.716 -19.469 283 HB3 LEU 17 2HB LEU 17 1.605 -4.524 -21.147 284 HG LEU 17 HG LEU 17 1.173 -7.268 -19.970 285 HD11 LEU 17 1HD1 LEU 17 -1.003 -7.202 -21.049 286 HD12 LEU 17 2HD1 LEU 17 -0.766 -5.491 -21.425 287 HD13 LEU 17 3HD1 LEU 17 -0.855 -6.012 -19.733 288 HD21 LEU 17 3HD2 LEU 17 0.929 -7.911 -22.397 289 HD22 LEU 17 1HD2 LEU 17 2.519 -7.204 -22.122 290 HD23 LEU 17 2HD2 LEU 17 1.231 -6.240 -22.890 291 H VAL 18 H VAL 18 3.244 -3.524 -18.140 292 HA VAL 18 HA VAL 18 4.128 -1.486 -20.059 293 HB VAL 18 HB VAL 18 4.130 0.151 -18.285 294 HG11 VAL 18 1HG1 VAL 18 1.704 0.017 -17.590 295 HG12 VAL 18 2HG1 VAL 18 1.903 -0.395 -19.266 296 HG13 VAL 18 3HG1 VAL 18 1.621 -1.677 -18.103 297 HG21 VAL 18 3HG2 VAL 18 3.317 -1.963 -16.247 298 HG22 VAL 18 1HG2 VAL 18 4.973 -1.304 -16.397 299 HG23 VAL 18 2HG2 VAL 18 3.684 -0.250 -15.990 300 H CYS 19 H CYS 19 5.678 -3.654 -17.837 301 HA CYS 19 HA CYS 19 8.188 -2.042 -17.841 302 HB2 CYS 19 1HB CYS 19 7.589 -4.678 -16.521 303 HB3 CYS 19 2HB CYS 19 9.063 -3.721 -16.312 304 H GLY 20 H GLY 20 7.062 -5.247 -19.084 305 HA2 GLY 20 1HA GLY 20 8.049 -6.042 -21.162 306 HA3 GLY 20 2HA GLY 20 9.571 -5.261 -20.667 307 H GLU 21 H GLU 21 10.162 -7.715 -21.223 308 HA GLU 21 HA GLU 21 9.245 -9.750 -19.498 309 HB2 GLU 21 1HB GLU 21 11.871 -9.509 -20.971 310 HB3 GLU 21 2HB GLU 21 11.210 -10.991 -20.274 311 HG2 GLU 21 1HG GLU 21 10.540 -11.304 -22.388 312 HG3 GLU 21 2HG GLU 21 9.129 -10.449 -21.806 313 HE2 GLU 21 HE2 GLU 21 10.666 -9.167 -24.962 314 H ARG 22 H ARG 22 11.659 -7.327 -19.014 315 HA ARG 22 HA ARG 22 13.279 -8.603 -17.060 316 HB2 ARG 22 1HB ARG 22 13.855 -6.193 -16.403 317 HB3 ARG 22 2HB ARG 22 14.133 -6.606 -18.097 318 HG2 ARG 22 1HG ARG 22 11.433 -5.545 -17.482 319 HG3 ARG 22 2HG ARG 22 12.733 -4.382 -17.101 320 HD2 ARG 22 1HD ARG 22 12.613 -5.823 -19.817 321 HD3 ARG 22 2HD ARG 22 11.817 -4.254 -19.570 322 HE ARG 22 HE ARG 22 14.498 -4.056 -18.756 323 HH11 ARG 22 1HH1 ARG 22 12.754 -4.516 -21.709 324 HH12 ARG 22 2HH1 ARG 22 13.867 -3.628 -22.658 325 HH21 ARG 22 1HH2 ARG 22 15.922 -2.803 -19.966 326 HH22 ARG 22 2HH2 ARG 22 15.667 -2.679 -21.696 327 H GLY 23 H GLY 23 9.977 -7.509 -16.755 328 HA2 GLY 23 1HA GLY 23 8.663 -7.940 -14.844 329 HA3 GLY 23 2HA GLY 23 10.111 -8.418 -13.961 330 H PHE 24 H PHE 24 9.086 -7.392 -12.207 331 HA PHE 24 HA PHE 24 9.887 -4.554 -11.863 332 HB2 PHE 24 1HB PHE 24 7.647 -3.918 -11.014 333 HB3 PHE 24 2HB PHE 24 7.590 -4.351 -12.730 334 HD1 PHE 24 HD1 PHE 24 6.419 -6.382 -13.538 335 HD2 PHE 24 HD2 PHE 24 6.595 -5.421 -9.326 336 HE1 PHE 24 HE1 PHE 24 4.681 -8.076 -13.091 337 HE2 PHE 24 HE2 PHE 24 4.853 -7.114 -8.896 338 HZ PHE 24 HZ PHE 24 3.845 -8.465 -10.732 339 H PHE 25 H PHE 25 9.591 -3.979 -9.499 340 HA PHE 25 HA PHE 25 10.246 -6.344 -7.822 341 HB2 PHE 25 1HB PHE 25 11.326 -4.808 -6.312 342 HB3 PHE 25 2HB PHE 25 11.927 -4.446 -7.941 343 HD1 PHE 25 HD1 PHE 25 11.146 -2.482 -9.174 344 HD2 PHE 25 HD2 PHE 25 10.005 -3.179 -5.106 345 HE1 PHE 25 HE1 PHE 25 10.393 -0.053 -8.968 346 HE2 PHE 25 HE2 PHE 25 9.407 -0.798 -4.790 347 HZ PHE 25 HZ PHE 25 9.585 0.782 -6.758 348 H TYR 26 H TYR 26 9.566 -6.255 -5.544 349 HA TYR 26 HA TYR 26 7.068 -4.715 -4.996 350 HB2 TYR 26 1HB TYR 26 6.536 -7.170 -5.505 351 HB3 TYR 26 2HB TYR 26 7.614 -7.604 -4.151 352 HD1 TYR 26 HD2 TYR 26 4.392 -5.988 -5.088 353 HD2 TYR 26 HD1 TYR 26 6.909 -7.337 -1.875 354 HE1 TYR 26 HE2 TYR 26 2.524 -5.672 -3.458 355 HE2 TYR 26 HE1 TYR 26 5.016 -6.990 -0.263 356 HH TYR 26 HH TYR 26 2.892 -6.404 -0.059 357 H THR 27 H THR 27 7.615 -3.392 -3.464 358 HA THR 27 HA THR 27 8.580 -2.475 -1.681 359 HB THR 27 HB THR 27 9.787 -5.129 -0.903 360 HG1 THR 27 HG1 THR 27 7.655 -5.543 -1.010 361 HG21 THR 27 1HG2 THR 27 8.960 -2.646 0.677 362 HG22 THR 27 2HG2 THR 27 10.614 -3.308 0.514 363 HG23 THR 27 3HG2 THR 27 9.379 -4.229 1.406 364 H LYS 28 H LYS 28 10.364 -1.170 -1.504 365 HA LYS 28 HA LYS 28 12.202 -1.218 -3.626 366 HB2 LYS 28 1HB LYS 28 12.196 0.362 -1.061 367 HB3 LYS 28 2HB LYS 28 13.295 0.686 -2.412 368 HG2 LYS 28 1HG LYS 28 11.431 1.317 -3.890 369 HG3 LYS 28 2HG LYS 28 10.300 0.894 -2.604 370 HD2 LYS 28 1HD LYS 28 10.629 3.269 -2.743 371 HD3 LYS 28 2HD LYS 28 11.288 2.685 -1.209 372 HE2 LYS 28 1HE LYS 28 13.538 2.722 -2.196 373 HE3 LYS 28 2HE LYS 28 12.881 3.378 -3.718 374 HZ1 LYS 28 3HZ LYS 28 11.972 5.088 -2.127 375 HZ2 LYS 28 1HZ LYS 28 13.539 5.179 -2.617 376 HZ3 LYS 28 2HZ LYS 28 13.217 4.643 -1.177 377 HA PRO 29 HA PRO 29 15.068 -3.814 -1.372 378 HB2 PRO 29 1HB PRO 29 16.949 -4.214 -3.270 379 HB3 PRO 29 2HB PRO 29 15.362 -5.040 -3.337 380 HG2 PRO 29 1HG PRO 29 16.260 -2.513 -4.758 381 HG3 PRO 29 2HG PRO 29 15.433 -3.979 -5.425 382 HD2 PRO 29 1HD PRO 29 14.147 -1.695 -4.761 383 HD3 PRO 29 2HD PRO 29 13.414 -3.287 -4.604 384 H THR 30 H THR 30 16.109 -2.613 0.248 385 HA THR 30 HA THR 30 18.428 -1.065 -0.416 386 HB THR 30 HB THR 30 16.580 0.566 -0.992 387 HG1 THR 30 HG1 THR 30 17.138 1.997 1.039 388 HG21 THR 30 1HG2 THR 30 15.110 1.461 0.840 389 HG22 THR 30 2HG2 THR 30 15.748 0.314 1.968 390 HG23 THR 30 3HG2 THR 30 14.764 -0.228 0.610 391 HXT THR 30 H02 THR 30 19.459 -0.519 1.105 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 2.583 2.000 -0.608 2 H2 GLY 1 2H GLY 1 3.156 2.918 -1.800 3 HA2 GLY 1 1HA GLY 1 4.582 1.011 -2.620 4 HA3 GLY 1 2HA GLY 1 3.602 0.007 -1.589 5 H ILE 2 H ILE 2 3.746 -0.737 -4.097 6 HA ILE 2 HA ILE 2 2.093 0.422 -6.038 7 HB ILE 2 HB ILE 2 2.412 -2.610 -5.608 8 HG12 ILE 2 1HG1 ILE 2 4.302 -0.750 -7.146 9 HG13 ILE 2 2HG1 ILE 2 4.628 -1.452 -5.559 10 HG21 ILE 2 1HG2 ILE 2 2.116 -2.706 -8.102 11 HG22 ILE 2 2HG2 ILE 2 0.730 -1.965 -7.316 12 HG23 ILE 2 3HG2 ILE 2 1.917 -0.934 -8.133 13 HD11 ILE 2 3HD1 ILE 2 4.620 -3.702 -6.534 14 HD12 ILE 2 1HD1 ILE 2 4.311 -3.060 -8.147 15 HD13 ILE 2 2HD1 ILE 2 5.823 -2.660 -7.347 16 H VAL 3 H VAL 3 1.042 -2.395 -3.999 17 HA VAL 3 HA VAL 3 -1.672 -1.945 -4.837 18 HB VAL 3 HB VAL 3 -2.325 -3.618 -3.090 19 HG11 VAL 3 1HG1 VAL 3 -1.145 -5.544 -4.150 20 HG12 VAL 3 2HG1 VAL 3 -1.716 -4.347 -5.355 21 HG13 VAL 3 3HG1 VAL 3 0.001 -4.410 -4.915 22 HG21 VAL 3 3HG2 VAL 3 0.690 -3.707 -2.507 23 HG22 VAL 3 1HG2 VAL 3 -0.581 -3.171 -1.386 24 HG23 VAL 3 2HG2 VAL 3 -0.508 -4.865 -1.911 25 H GLU 4 H GLU 4 0.141 -0.676 -1.975 26 HA GLU 4 HA GLU 4 -2.147 -0.056 -0.439 27 HB2 GLU 4 1HB GLU 4 0.227 0.097 0.339 28 HB3 GLU 4 2HB GLU 4 0.452 1.495 -0.707 29 HG2 GLU 4 1HG GLU 4 -1.323 2.661 0.573 30 HG3 GLU 4 2HG GLU 4 -1.383 1.343 1.738 31 HE2 GLU 4 HE2 GLU 4 0.828 3.998 2.790 32 H GLN 5 H GLN 5 -0.508 1.550 -3.188 33 HA GLN 5 HA GLN 5 -2.373 3.784 -3.028 34 HB2 GLN 5 1HB GLN 5 -0.089 3.981 -3.999 35 HB3 GLN 5 2HB GLN 5 -0.537 2.920 -5.303 36 HG2 GLN 5 1HG GLN 5 -0.612 5.278 -6.037 37 HG3 GLN 5 2HG GLN 5 -2.294 4.670 -5.960 38 HE21 GLN 5 2HE2 GLN 5 -3.113 6.771 -5.721 39 HE22 GLN 5 1HE2 GLN 5 -2.932 7.647 -4.211 40 H CYS 6 H CYS 6 -1.918 1.162 -5.399 41 HA CYS 6 HA CYS 6 -4.225 1.936 -7.014 42 HB2 CYS 6 1HB CYS 6 -2.563 -0.561 -7.145 43 HB3 CYS 6 2HB CYS 6 -3.622 0.096 -8.353 44 H CYS 7 H CYS 7 -4.193 -0.225 -4.316 45 HA CYS 7 HA CYS 7 -6.463 -1.751 -5.295 46 HB2 CYS 7 1HB CYS 7 -4.653 -2.231 -3.380 47 HB3 CYS 7 2HB CYS 7 -5.852 -1.416 -2.399 48 H THR 8 H THR 8 -5.945 1.352 -3.687 49 HA THR 8 HA THR 8 -8.894 1.480 -3.141 50 HB THR 8 HB THR 8 -7.338 1.740 -1.146 51 HG1 THR 8 HG1 THR 8 -9.536 2.720 -1.530 52 HG21 THR 8 1HG2 THR 8 -6.684 4.385 -2.432 53 HG22 THR 8 2HG2 THR 8 -5.540 3.049 -2.158 54 HG23 THR 8 3HG2 THR 8 -6.277 3.912 -0.801 55 H SER 9 H SER 9 -6.273 2.988 -4.902 56 HA SER 9 HA SER 9 -8.064 5.103 -5.906 57 HB2 SER 9 1HB SER 9 -5.059 4.912 -6.164 58 HB3 SER 9 2HB SER 9 -6.099 6.329 -6.427 59 HG SER 9 HG SER 9 -5.465 5.071 -3.988 60 H ILE 10 H ILE 10 -7.143 5.808 -8.339 61 HA ILE 10 HA ILE 10 -7.314 3.337 -10.016 62 HB ILE 10 HB ILE 10 -7.688 6.259 -10.805 63 HG12 ILE 10 1HG1 ILE 10 -9.561 5.537 -9.449 64 HG13 ILE 10 2HG1 ILE 10 -10.082 5.674 -11.133 65 HG21 ILE 10 1HG2 ILE 10 -7.836 3.621 -12.428 66 HG22 ILE 10 2HG2 ILE 10 -8.665 5.087 -12.998 67 HG23 ILE 10 3HG2 ILE 10 -6.911 5.095 -12.810 68 HD11 ILE 10 3HD1 ILE 10 -10.139 3.245 -11.393 69 HD12 ILE 10 1HD1 ILE 10 -9.343 2.980 -9.819 70 HD13 ILE 10 2HD1 ILE 10 -10.996 3.643 -9.896 71 H CYS 11 H CYS 11 -5.457 2.737 -11.052 72 HA CYS 11 HA CYS 11 -3.223 4.757 -11.187 73 HB2 CYS 11 1HB CYS 11 -3.100 1.767 -10.834 74 HB3 CYS 11 2HB CYS 11 -1.719 2.798 -11.160 75 H SER 12 H SER 12 -2.387 5.206 -13.077 76 HA SER 12 HA SER 12 -3.389 3.829 -15.530 77 HB2 SER 12 1HB SER 12 -2.302 5.619 -16.693 78 HB3 SER 12 2HB SER 12 -3.385 6.311 -15.492 79 HG SER 12 HG SER 12 -1.707 6.901 -14.239 80 H LEU 13 H LEU 13 -1.915 3.052 -17.089 81 HA LEU 13 HA LEU 13 0.463 1.712 -16.083 82 HB2 LEU 13 1HB LEU 13 -0.092 2.461 -18.994 83 HB3 LEU 13 2HB LEU 13 1.145 1.401 -18.396 84 HG LEU 13 HG LEU 13 -1.817 0.843 -18.180 85 HD11 LEU 13 1HD1 LEU 13 0.509 -0.558 -19.750 86 HD12 LEU 13 2HD1 LEU 13 -0.728 0.560 -20.475 87 HD13 LEU 13 3HD1 LEU 13 -1.226 -1.028 -19.790 88 HD21 LEU 13 3HD2 LEU 13 -0.743 -1.567 -17.487 89 HD22 LEU 13 1HD2 LEU 13 -1.054 -0.263 -16.284 90 HD23 LEU 13 2HD2 LEU 13 0.573 -0.536 -16.921 91 H TYR 14 H TYR 14 0.173 5.108 -17.396 92 HA TYR 14 HA TYR 14 2.952 5.613 -17.582 93 HB2 TYR 14 1HB TYR 14 1.166 7.161 -18.305 94 HB3 TYR 14 2HB TYR 14 0.722 7.473 -16.662 95 HD1 TYR 14 HD2 TYR 14 3.762 7.731 -18.916 96 HD2 TYR 14 HD1 TYR 14 1.611 9.208 -15.455 97 HE1 TYR 14 HE2 TYR 14 5.669 9.101 -17.785 98 HE2 TYR 14 HE1 TYR 14 3.032 11.082 -15.225 99 HH TYR 14 HH TYR 14 4.647 12.453 -16.424 100 H GLN 15 H GLN 15 0.876 5.408 -14.622 101 HA GLN 15 HA GLN 15 3.063 6.371 -12.928 102 HB2 GLN 15 1HB GLN 15 0.396 5.024 -12.224 103 HB3 GLN 15 2HB GLN 15 1.538 5.729 -11.072 104 HG2 GLN 15 1HG GLN 15 1.148 7.900 -11.801 105 HG3 GLN 15 2HG GLN 15 0.277 7.381 -13.241 106 HE21 GLN 15 2HE2 GLN 15 -0.012 8.117 -9.872 107 HE22 GLN 15 1HE2 GLN 15 -1.713 7.685 -9.749 108 H LEU 16 H LEU 16 1.543 3.228 -13.902 109 HA LEU 16 HA LEU 16 2.987 1.598 -12.053 110 HB2 LEU 16 1HB LEU 16 1.533 1.167 -14.557 111 HB3 LEU 16 2HB LEU 16 2.850 0.042 -14.235 112 HG LEU 16 HG LEU 16 1.922 -0.453 -11.971 113 HD11 LEU 16 1HD1 LEU 16 -0.486 1.177 -12.937 114 HD12 LEU 16 2HD1 LEU 16 0.627 1.590 -11.579 115 HD13 LEU 16 3HD1 LEU 16 -0.417 0.143 -11.472 116 HD21 LEU 16 3HD2 LEU 16 1.375 -1.906 -13.944 117 HD22 LEU 16 1HD2 LEU 16 -0.042 -0.885 -14.346 118 HD23 LEU 16 2HD2 LEU 16 -0.031 -1.829 -12.820 119 H GLU 17 H GLU 17 4.096 3.036 -15.097 120 HA GLU 17 HA GLU 17 6.371 1.372 -15.390 121 HB2 GLU 17 1HB GLU 17 5.774 4.259 -16.090 122 HB3 GLU 17 2HB GLU 17 7.427 3.592 -16.258 123 HG2 GLU 17 1HG GLU 17 6.502 1.778 -17.741 124 HG3 GLU 17 2HG GLU 17 4.888 2.525 -17.572 125 HE2 GLU 17 HE2 GLU 17 7.738 2.490 -19.114 126 H ASN 18 H ASN 18 5.781 4.012 -13.110 127 HA ASN 18 HA ASN 18 8.601 4.364 -12.493 128 HB2 ASN 18 1HB ASN 18 6.020 5.261 -11.223 129 HB3 ASN 18 2HB ASN 18 7.461 5.295 -10.208 130 HD21 ASN 18 2HD2 ASN 18 5.712 7.394 -11.698 131 HD22 ASN 18 1HD2 ASN 18 6.904 8.397 -12.452 132 H TYR 19 H TYR 19 6.247 1.947 -11.484 133 HA TYR 19 HA TYR 19 7.858 1.203 -9.123 134 HB2 TYR 19 1HB TYR 19 5.886 -0.449 -10.704 135 HB3 TYR 19 2HB TYR 19 6.437 -0.727 -9.041 136 HD1 TYR 19 HD2 TYR 19 6.197 1.637 -7.487 137 HD2 TYR 19 HD1 TYR 19 3.614 0.356 -10.695 138 HE1 TYR 19 HE2 TYR 19 4.332 2.974 -6.512 139 HE2 TYR 19 HE1 TYR 19 1.746 1.659 -9.686 140 HH TYR 19 HH TYR 19 1.086 2.953 -7.735 141 H CYS 20 H CYS 20 8.276 0.721 -12.483 142 HA CYS 20 HA CYS 20 10.032 -1.669 -12.053 143 HB2 CYS 20 1HB CYS 20 8.056 -1.356 -13.887 144 HB3 CYS 20 2HB CYS 20 9.420 -0.659 -14.779 145 H ASN 21 H ASN 21 10.019 1.767 -12.512 146 HA ASN 21 HA ASN 21 12.581 1.833 -14.004 147 HB2 ASN 21 1HB ASN 21 10.812 3.405 -14.645 148 HB3 ASN 21 2HB ASN 21 10.806 4.099 -13.064 149 HD21 ASN 21 2HD2 ASN 21 12.673 3.721 -16.013 150 HD22 ASN 21 1HD2 ASN 21 13.678 5.099 -15.699 151 HXT ASN 21 H02 ASN 21 11.539 2.863 -11.022 152 H1 PHE 1 1H PHE 1 -2.328 2.104 -20.807 153 H2 PHE 1 2H PHE 1 -2.300 3.668 -20.574 154 HA PHE 1 HA PHE 1 -4.488 3.395 -21.017 155 HB2 PHE 1 1HB PHE 1 -4.656 0.833 -19.647 156 HB3 PHE 1 2HB PHE 1 -5.737 1.538 -20.883 157 HD1 PHE 1 HD2 PHE 1 -3.983 2.238 -23.064 158 HD2 PHE 1 HD1 PHE 1 -3.765 -1.154 -20.444 159 HE1 PHE 1 HE2 PHE 1 -2.818 0.948 -24.842 160 HE2 PHE 1 HE1 PHE 1 -2.585 -2.442 -22.181 161 HZ PHE 1 HZ PHE 1 -2.073 -1.403 -24.441 162 H VAL 2 H VAL 2 -6.565 3.501 -19.990 163 HA VAL 2 HA VAL 2 -6.445 4.508 -17.222 164 HB VAL 2 HB VAL 2 -8.686 4.332 -19.312 165 HG11 VAL 2 1HG1 VAL 2 -9.808 4.329 -17.222 166 HG12 VAL 2 2HG1 VAL 2 -8.736 5.625 -16.554 167 HG13 VAL 2 3HG1 VAL 2 -9.923 6.022 -17.844 168 HG21 VAL 2 3HG2 VAL 2 -8.394 6.808 -19.491 169 HG22 VAL 2 1HG2 VAL 2 -7.014 6.733 -18.367 170 HG23 VAL 2 2HG2 VAL 2 -6.923 5.916 -19.939 171 H ASN 3 H ASN 3 -6.972 3.172 -15.528 172 HA ASN 3 HA ASN 3 -8.186 0.502 -16.278 173 HB2 ASN 3 1HB ASN 3 -6.078 1.019 -14.149 174 HB3 ASN 3 2HB ASN 3 -6.773 -0.537 -14.586 175 HD21 ASN 3 2HD2 ASN 3 -4.120 1.368 -14.970 176 HD22 ASN 3 1HD2 ASN 3 -3.554 0.635 -16.459 177 H GLN 4 H GLN 4 -8.620 -0.556 -13.949 178 HA GLN 4 HA GLN 4 -10.308 1.430 -12.512 179 HB2 GLN 4 1HB GLN 4 -10.950 -1.011 -13.610 180 HB3 GLN 4 2HB GLN 4 -10.536 -1.499 -11.967 181 HG2 GLN 4 1HG GLN 4 -12.374 -0.498 -11.062 182 HG3 GLN 4 2HG GLN 4 -12.331 0.840 -12.248 183 HE21 GLN 4 2HE2 GLN 4 -13.899 0.747 -13.763 184 HE22 GLN 4 1HE2 GLN 4 -14.763 -0.654 -14.216 185 H HIS 5 H HIS 5 -10.328 -0.393 -10.206 186 HA HIS 5 HA HIS 5 -7.793 0.440 -8.974 187 HB2 HIS 5 1HB HIS 5 -9.952 -1.514 -8.005 188 HB3 HIS 5 2HB HIS 5 -8.677 -0.816 -7.018 189 HD1 HIS 5 HD1 HIS 5 -8.770 1.957 -6.936 190 HD2 HIS 5 HD2 HIS 5 -12.312 -0.122 -7.794 191 HE1 HIS 5 HE1 HIS 5 -10.698 3.537 -6.411 192 HE2 HIS 5 H01 HIS 5 -12.838 2.258 -6.912 193 H LEU 6 H LEU 6 -6.069 -0.990 -8.376 194 HA LEU 6 HA LEU 6 -6.138 -3.643 -9.821 195 HB2 LEU 6 1HB LEU 6 -3.906 -1.562 -9.831 196 HB3 LEU 6 2HB LEU 6 -3.808 -3.200 -10.467 197 HG LEU 6 HG LEU 6 -5.602 -1.067 -11.669 198 HD11 LEU 6 1HD1 LEU 6 -3.933 -1.222 -13.558 199 HD12 LEU 6 2HD1 LEU 6 -2.797 -2.028 -12.405 200 HD13 LEU 6 3HD1 LEU 6 -3.402 -0.386 -12.098 201 HD21 LEU 6 3HD2 LEU 6 -4.995 -3.977 -12.446 202 HD22 LEU 6 1HD2 LEU 6 -5.509 -2.803 -13.655 203 HD23 LEU 6 2HD2 LEU 6 -6.560 -3.142 -12.283 204 H CYS 7 H CYS 7 -5.617 -5.252 -8.536 205 HA CYS 7 HA CYS 7 -3.869 -4.765 -6.230 206 HB2 CYS 7 1HB CYS 7 -6.429 -4.283 -5.890 207 HB3 CYS 7 2HB CYS 7 -6.525 -6.022 -5.612 208 H AIB 8 H AIB 8 -6.077 -7.112 -7.675 209 HB11 AIB 8 1HB1 AIB 8 -7.257 -9.379 -7.440 210 HB12 AIB 8 3HB1 AIB 8 -6.518 -10.634 -8.406 211 HB13 AIB 8 1HB2 AIB 8 -6.825 -9.047 -9.122 212 HB21 AIB 8 3HB2 AIB 8 -3.661 -9.671 -6.166 213 HB22 AIB 8 2HB1 AIB 8 -4.883 -10.848 -6.604 214 HB23 AIB 8 2HB2 AIB 8 -5.329 -9.494 -5.578 215 H SER 9 H SER 9 -4.692 -11.242 -9.138 216 HA SER 9 HA SER 9 -2.176 -11.108 -10.264 217 HB2 SER 9 1HB SER 9 -3.800 -13.026 -10.380 218 HB3 SER 9 2HB SER 9 -4.685 -12.135 -11.639 219 HG SER 9 HG SER 9 -2.181 -13.365 -11.763 220 H HIS 10 H HIS 10 -5.065 -9.486 -11.445 221 HA HIS 10 HA HIS 10 -4.278 -8.820 -14.037 222 HB2 HIS 10 1HB HIS 10 -5.858 -6.970 -12.209 223 HB3 HIS 10 2HB HIS 10 -5.987 -7.210 -13.986 224 HD1 HIS 10 HD1 HIS 10 -8.083 -7.728 -11.230 225 HD2 HIS 10 HD2 HIS 10 -6.645 -10.323 -14.185 226 HE1 HIS 10 HE1 HIS 10 -9.679 -9.683 -11.341 227 HE2 HIS 10 H01 HIS 10 -8.823 -11.252 -13.110 228 H LEU 11 H LEU 11 -3.340 -7.462 -10.871 229 HA LEU 11 HA LEU 11 -2.257 -4.961 -11.938 230 HB2 LEU 11 1HB LEU 11 -2.998 -5.149 -9.615 231 HB3 LEU 11 2HB LEU 11 -1.928 -6.484 -9.309 232 HG LEU 11 HG LEU 11 -1.389 -4.274 -8.241 233 HD11 LEU 11 1HD1 LEU 11 0.834 -5.651 -9.770 234 HD12 LEU 11 2HD1 LEU 11 0.075 -6.210 -8.239 235 HD13 LEU 11 3HD1 LEU 11 0.969 -4.664 -8.297 236 HD21 LEU 11 3HD2 LEU 11 -1.541 -2.711 -10.122 237 HD22 LEU 11 1HD2 LEU 11 -0.308 -3.612 -11.046 238 HD23 LEU 11 2HD2 LEU 11 0.119 -2.739 -9.538 239 H VAL 12 H VAL 12 -1.004 -8.218 -11.062 240 HA VAL 12 HA VAL 12 1.774 -7.601 -11.581 241 HB VAL 12 HB VAL 12 0.244 -10.241 -11.761 242 HG11 VAL 12 1HG1 VAL 12 2.326 -10.447 -12.959 243 HG12 VAL 12 2HG1 VAL 12 3.196 -9.639 -11.577 244 HG13 VAL 12 3HG1 VAL 12 2.504 -11.286 -11.377 245 HG21 VAL 12 3HG2 VAL 12 -0.051 -9.433 -9.501 246 HG22 VAL 12 1HG2 VAL 12 1.306 -10.535 -9.378 247 HG23 VAL 12 2HG2 VAL 12 1.599 -8.791 -9.443 248 H GLU 13 H GLU 13 -0.915 -8.976 -13.559 249 HA GLU 13 HA GLU 13 0.678 -9.436 -15.857 250 HB2 GLU 13 1HB GLU 13 -1.692 -10.293 -15.444 251 HB3 GLU 13 2HB GLU 13 -2.272 -8.657 -15.896 252 HG2 GLU 13 1HG GLU 13 -1.340 -8.906 -18.120 253 HG3 GLU 13 2HG GLU 13 -0.622 -10.461 -17.638 254 HE2 GLU 13 HE2 GLU 13 -3.433 -8.857 -18.429 255 H ALA 14 H ALA 14 -1.106 -6.527 -14.740 256 HA ALA 14 HA ALA 14 -0.708 -5.039 -17.149 257 HB1 ALA 14 3HB ALA 14 -2.312 -4.567 -15.261 258 HB2 ALA 14 1HB ALA 14 -0.961 -3.907 -14.324 259 HB3 ALA 14 2HB ALA 14 -1.446 -3.154 -15.871 260 H LEU 15 H LEU 15 1.180 -5.327 -14.159 261 HA LEU 15 HA LEU 15 3.045 -3.251 -14.911 262 HB2 LEU 15 1HB LEU 15 2.664 -3.978 -12.568 263 HB3 LEU 15 2HB LEU 15 3.408 -5.514 -12.935 264 HG LEU 15 HG LEU 15 5.568 -4.404 -13.439 265 HD11 LEU 15 1HD1 LEU 15 4.817 -2.179 -14.132 266 HD12 LEU 15 2HD1 LEU 15 5.858 -2.027 -12.719 267 HD13 LEU 15 3HD1 LEU 15 4.100 -1.875 -12.543 268 HD21 LEU 15 3HD2 LEU 15 4.360 -3.664 -10.716 269 HD22 LEU 15 1HD2 LEU 15 6.081 -3.823 -11.059 270 HD23 LEU 15 2HD2 LEU 15 5.028 -5.233 -11.143 271 H TYR 16 H TYR 16 2.950 -6.768 -15.258 272 HA TYR 16 HA TYR 16 5.479 -7.080 -16.535 273 HB2 TYR 16 1HB TYR 16 4.198 -8.971 -15.725 274 HB3 TYR 16 2HB TYR 16 2.878 -8.652 -16.874 275 HD1 TYR 16 HD2 TYR 16 6.607 -9.479 -16.852 276 HD2 TYR 16 HD1 TYR 16 2.868 -9.561 -19.042 277 HE1 TYR 16 HE2 TYR 16 7.637 -10.815 -18.660 278 HE2 TYR 16 HE1 TYR 16 3.947 -10.933 -20.812 279 HH TYR 16 HH TYR 16 7.271 -12.031 -20.658 280 H LEU 17 H LEU 17 2.213 -6.449 -17.955 281 HA LEU 17 HA LEU 17 3.191 -6.478 -20.641 282 HB2 LEU 17 1HB LEU 17 0.772 -5.176 -19.320 283 HB3 LEU 17 2HB LEU 17 1.113 -4.937 -21.035 284 HG LEU 17 HG LEU 17 0.737 -7.670 -19.821 285 HD11 LEU 17 1HD1 LEU 17 -1.536 -7.620 -20.604 286 HD12 LEU 17 2HD1 LEU 17 -1.332 -6.022 -21.296 287 HD13 LEU 17 3HD1 LEU 17 -1.266 -6.210 -19.537 288 HD21 LEU 17 3HD2 LEU 17 0.712 -6.658 -22.666 289 HD22 LEU 17 1HD2 LEU 17 0.216 -8.284 -22.170 290 HD23 LEU 17 2HD2 LEU 17 1.905 -7.746 -21.911 291 H VAL 18 H VAL 18 3.038 -3.703 -18.331 292 HA VAL 18 HA VAL 18 3.835 -1.931 -20.507 293 HB VAL 18 HB VAL 18 2.298 -1.234 -18.616 294 HG11 VAL 18 1HG1 VAL 18 3.557 -2.173 -16.700 295 HG12 VAL 18 2HG1 VAL 18 4.834 -0.952 -16.983 296 HG13 VAL 18 3HG1 VAL 18 3.179 -0.442 -16.503 297 HG21 VAL 18 3HG2 VAL 18 4.767 0.498 -19.080 298 HG22 VAL 18 1HG2 VAL 18 3.358 0.401 -20.146 299 HG23 VAL 18 2HG2 VAL 18 3.169 1.099 -18.509 300 H CYS 19 H CYS 19 5.525 -3.787 -18.044 301 HA CYS 19 HA CYS 19 7.954 -2.153 -18.482 302 HB2 CYS 19 1HB CYS 19 7.151 -2.981 -16.227 303 HB3 CYS 19 2HB CYS 19 7.674 -4.611 -16.697 304 H GLY 20 H GLY 20 6.668 -5.298 -19.566 305 HA2 GLY 20 1HA GLY 20 7.606 -6.653 -21.227 306 HA3 GLY 20 2HA GLY 20 9.080 -5.686 -21.235 307 H GLU 21 H GLU 21 10.236 -7.902 -21.092 308 HA GLU 21 HA GLU 21 9.594 -9.504 -18.720 309 HB2 GLU 21 1HB GLU 21 11.678 -10.018 -20.797 310 HB3 GLU 21 2HB GLU 21 10.950 -11.206 -19.715 311 HG2 GLU 21 1HG GLU 21 8.686 -10.640 -20.822 312 HG3 GLU 21 2HG GLU 21 9.630 -9.776 -22.069 313 HE2 GLU 21 HE2 GLU 21 11.151 -12.990 -22.781 314 H ARG 22 H ARG 22 11.128 -6.907 -18.379 315 HA ARG 22 HA ARG 22 13.867 -7.676 -17.780 316 HB2 ARG 22 1HB ARG 22 12.368 -5.029 -17.501 317 HB3 ARG 22 2HB ARG 22 14.051 -5.266 -17.057 318 HG2 ARG 22 1HG ARG 22 14.455 -4.554 -19.195 319 HG3 ARG 22 2HG ARG 22 13.978 -6.191 -19.682 320 HD2 ARG 22 1HD ARG 22 11.604 -5.353 -19.864 321 HD3 ARG 22 2HD ARG 22 12.212 -3.707 -19.650 322 HE ARG 22 HE ARG 22 13.724 -4.924 -21.701 323 HH11 ARG 22 1HH1 ARG 22 10.461 -3.613 -21.149 324 HH12 ARG 22 2HH1 ARG 22 10.187 -3.324 -22.863 325 HH21 ARG 22 1HH2 ARG 22 13.272 -4.586 -23.862 326 HH22 ARG 22 2HH2 ARG 22 11.763 -3.872 -24.348 327 H GLY 23 H GLY 23 10.964 -7.818 -15.998 328 HA2 GLY 23 1HA GLY 23 10.842 -8.624 -13.811 329 HA3 GLY 23 2HA GLY 23 12.560 -8.273 -13.586 330 H PHE 24 H PHE 24 10.597 -7.791 -11.602 331 HA PHE 24 HA PHE 24 11.109 -5.012 -11.087 332 HB2 PHE 24 1HB PHE 24 8.628 -4.573 -10.561 333 HB3 PHE 24 2HB PHE 24 9.132 -4.545 -12.250 334 HD1 PHE 24 HD2 PHE 24 7.597 -6.788 -9.766 335 HD2 PHE 24 HD1 PHE 24 8.142 -5.826 -13.920 336 HE1 PHE 24 HE2 PHE 24 5.926 -8.492 -10.360 337 HE2 PHE 24 HE1 PHE 24 6.454 -7.512 -14.540 338 HZ PHE 24 HZ PHE 24 5.350 -8.895 -12.787 339 H PHE 25 H PHE 25 10.401 -4.403 -8.886 340 HA PHE 25 HA PHE 25 10.926 -6.786 -7.191 341 HB2 PHE 25 1HB PHE 25 11.947 -4.292 -7.260 342 HB3 PHE 25 2HB PHE 25 10.682 -4.032 -6.041 343 HD1 PHE 25 HD1 PHE 25 13.426 -6.360 -6.956 344 HD2 PHE 25 HD2 PHE 25 11.058 -4.757 -3.749 345 HE1 PHE 25 HE1 PHE 25 14.996 -7.411 -5.256 346 HE2 PHE 25 HE2 PHE 25 12.443 -5.876 -2.084 347 HZ PHE 25 HZ PHE 25 14.472 -7.199 -2.803 348 H TYR 26 H TYR 26 9.863 -5.825 -4.858 349 HA TYR 26 HA TYR 26 8.103 -6.039 -3.485 350 HB2 TYR 26 1HB TYR 26 7.818 -3.750 -4.669 351 HB3 TYR 26 2HB TYR 26 6.443 -4.491 -5.467 352 HD1 TYR 26 HD1 TYR 26 4.411 -5.045 -4.145 353 HD2 TYR 26 HD2 TYR 26 7.787 -3.238 -2.253 354 HE1 TYR 26 HE1 TYR 26 3.048 -4.618 -2.137 355 HE2 TYR 26 HE2 TYR 26 6.445 -2.789 -0.253 356 HH TYR 26 HH TYR 26 4.300 -2.942 0.778 357 H THR 27 H THR 27 8.022 -8.361 -3.886 358 HA THR 27 HA THR 27 5.264 -9.104 -4.513 359 HB THR 27 HB THR 27 6.585 -9.416 -6.661 360 HG1 THR 27 HG1 THR 27 5.844 -11.468 -6.984 361 HG21 THR 27 1HG2 THR 27 8.814 -9.941 -5.618 362 HG22 THR 27 2HG2 THR 27 8.310 -11.211 -6.729 363 HG23 THR 27 3HG2 THR 27 8.169 -11.461 -4.985 364 H LYS 28 H LYS 28 4.970 -11.456 -3.596 365 HA LYS 28 HA LYS 28 6.299 -11.442 -0.945 366 HB2 LYS 28 1HB LYS 28 4.442 -13.463 -2.328 367 HB3 LYS 28 2HB LYS 28 5.042 -13.664 -0.684 368 HG2 LYS 28 1HG LYS 28 3.925 -11.501 -0.035 369 HG3 LYS 28 2HG LYS 28 3.272 -11.397 -1.663 370 HD2 LYS 28 1HD LYS 28 2.172 -13.552 -1.330 371 HD3 LYS 28 2HD LYS 28 2.672 -13.536 0.376 372 HE2 LYS 28 1HE LYS 28 0.860 -11.515 -1.000 373 HE3 LYS 28 2HE LYS 28 0.392 -12.699 0.199 374 HZ1 LYS 28 3HZ LYS 28 1.951 -10.300 0.675 375 HZ2 LYS 28 1HZ LYS 28 1.979 -11.560 1.714 376 HZ3 LYS 28 2HZ LYS 28 0.588 -10.833 1.399 377 HA PRO 29 HA PRO 29 9.605 -13.643 -2.874 378 HB2 PRO 29 1HB PRO 29 11.150 -14.379 -0.744 379 HB3 PRO 29 2HB PRO 29 10.877 -12.652 -1.140 380 HG2 PRO 29 1HG PRO 29 9.335 -14.375 0.797 381 HG3 PRO 29 2HG PRO 29 10.168 -12.798 1.153 382 HD2 PRO 29 1HD PRO 29 7.503 -12.851 0.524 383 HD3 PRO 29 2HD PRO 29 8.686 -11.583 -0.089 384 H THR 30 H THR 30 8.360 -15.311 -3.728 385 HA THR 30 HA THR 30 9.136 -17.959 -2.869 386 HB THR 30 HB THR 30 7.142 -17.791 -1.387 387 HG1 THR 30 HG1 THR 30 5.634 -19.342 -2.622 388 HG21 THR 30 1HG2 THR 30 5.568 -16.794 -3.884 389 HG22 THR 30 2HG2 THR 30 5.937 -15.824 -2.412 390 HG23 THR 30 3HG2 THR 30 4.856 -17.218 -2.316 391 HXT THR 30 H02 THR 30 8.532 -18.803 -5.999 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 5.454 -1.365 -1.348 2 H2 GLY 1 2H GLY 1 5.640 -0.362 -2.629 3 HA2 GLY 1 1HA GLY 1 3.145 -1.075 -1.365 4 HA3 GLY 1 2HA GLY 1 3.852 0.515 -1.496 5 H ILE 2 H ILE 2 3.879 -1.663 -4.149 6 HA ILE 2 HA ILE 2 2.575 0.091 -5.858 7 HB ILE 2 HB ILE 2 2.432 -2.916 -6.214 8 HG12 ILE 2 1HG1 ILE 2 4.745 -1.012 -6.890 9 HG13 ILE 2 2HG1 ILE 2 4.761 -2.135 -5.536 10 HG21 ILE 2 1HG2 ILE 2 2.595 -0.588 -8.182 11 HG22 ILE 2 2HG2 ILE 2 2.486 -2.300 -8.639 12 HG23 ILE 2 3HG2 ILE 2 1.132 -1.527 -7.840 13 HD11 ILE 2 3HD1 ILE 2 6.010 -3.130 -7.237 14 HD12 ILE 2 1HD1 ILE 2 4.489 -4.007 -7.132 15 HD13 ILE 2 2HD1 ILE 2 4.768 -2.860 -8.466 16 H VAL 3 H VAL 3 1.074 -2.692 -4.154 17 HA VAL 3 HA VAL 3 -1.608 -1.926 -5.171 18 HB VAL 3 HB VAL 3 -2.402 -3.802 -3.754 19 HG11 VAL 3 1HG1 VAL 3 -1.243 -5.601 -4.877 20 HG12 VAL 3 2HG1 VAL 3 -1.636 -4.267 -5.987 21 HG13 VAL 3 3HG1 VAL 3 0.039 -4.468 -5.398 22 HG21 VAL 3 3HG2 VAL 3 -0.833 -3.578 -1.816 23 HG22 VAL 3 1HG2 VAL 3 -0.794 -5.222 -2.489 24 HG23 VAL 3 2HG2 VAL 3 0.531 -4.083 -2.834 25 H GLU 4 H GLU 4 0.376 -1.103 -2.461 26 HA GLU 4 HA GLU 4 -1.788 -0.274 -0.678 27 HB2 GLU 4 1HB GLU 4 1.142 0.546 -0.898 28 HB3 GLU 4 2HB GLU 4 0.049 1.004 0.393 29 HG2 GLU 4 1HG GLU 4 -0.243 -1.363 1.027 30 HG3 GLU 4 2HG GLU 4 0.801 -1.880 -0.286 31 HE2 GLU 4 HE2 GLU 4 2.402 -0.160 2.919 32 H GLN 5 H GLN 5 -0.058 1.183 -3.416 33 HA GLN 5 HA GLN 5 -1.542 3.740 -3.069 34 HB2 GLN 5 1HB GLN 5 0.411 2.797 -5.160 35 HB3 GLN 5 2HB GLN 5 -0.175 4.445 -4.951 36 HG2 GLN 5 1HG GLN 5 1.520 2.954 -2.868 37 HG3 GLN 5 2HG GLN 5 2.118 4.170 -3.991 38 HE21 GLN 5 2HE2 GLN 5 1.567 3.938 -0.919 39 HE22 GLN 5 1HE2 GLN 5 0.815 5.456 -0.530 40 H CYS 6 H CYS 6 -1.608 0.852 -5.180 41 HA CYS 6 HA CYS 6 -3.612 2.293 -6.885 42 HB2 CYS 6 1HB CYS 6 -1.623 0.130 -7.586 43 HB3 CYS 6 2HB CYS 6 -2.928 0.615 -8.650 44 H CYS 7 H CYS 7 -3.801 -0.279 -4.709 45 HA CYS 7 HA CYS 7 -5.825 -1.715 -6.216 46 HB2 CYS 7 1HB CYS 7 -4.341 -2.581 -4.185 47 HB3 CYS 7 2HB CYS 7 -5.521 -1.713 -3.205 48 H THR 8 H THR 8 -5.544 1.176 -4.560 49 HA THR 8 HA THR 8 -8.436 1.646 -4.287 50 HB THR 8 HB THR 8 -7.281 1.523 -2.061 51 HG1 THR 8 HG1 THR 8 -8.988 2.855 -2.145 52 HG21 THR 8 1HG2 THR 8 -5.566 3.771 -3.159 53 HG22 THR 8 2HG2 THR 8 -5.016 2.203 -2.540 54 HG23 THR 8 3HG2 THR 8 -5.749 3.397 -1.437 55 H SER 9 H SER 9 -8.820 4.045 -4.698 56 HA SER 9 HA SER 9 -8.790 5.746 -6.178 57 HB2 SER 9 1HB SER 9 -5.771 5.448 -5.973 58 HB3 SER 9 2HB SER 9 -6.664 6.839 -6.666 59 HG SER 9 HG SER 9 -6.166 6.332 -4.096 60 H ILE 10 H ILE 10 -7.010 6.244 -8.560 61 HA ILE 10 HA ILE 10 -7.648 3.799 -10.141 62 HB ILE 10 HB ILE 10 -8.035 6.662 -10.990 63 HG12 ILE 10 1HG1 ILE 10 -9.872 5.957 -9.496 64 HG13 ILE 10 2HG1 ILE 10 -10.471 6.263 -11.084 65 HG21 ILE 10 1HG2 ILE 10 -8.168 4.069 -12.602 66 HG22 ILE 10 2HG2 ILE 10 -9.162 5.447 -13.089 67 HG23 ILE 10 3HG2 ILE 10 -7.414 5.616 -13.024 68 HD11 ILE 10 3HD1 ILE 10 -11.533 4.255 -10.083 69 HD12 ILE 10 1HD1 ILE 10 -10.611 3.785 -11.518 70 HD13 ILE 10 2HD1 ILE 10 -9.960 3.503 -9.868 71 H CYS 11 H CYS 11 -5.850 3.021 -10.985 72 HA CYS 11 HA CYS 11 -3.680 4.933 -11.645 73 HB2 CYS 11 1HB CYS 11 -3.574 2.053 -10.698 74 HB3 CYS 11 2HB CYS 11 -2.155 2.881 -11.366 75 H SER 12 H SER 12 -2.443 4.390 -13.542 76 HA SER 12 HA SER 12 -3.678 2.377 -15.396 77 HB2 SER 12 1HB SER 12 -2.738 5.192 -16.139 78 HB3 SER 12 2HB SER 12 -3.524 4.012 -17.224 79 HG SER 12 HG SER 12 -4.757 5.303 -15.032 80 H LEU 13 H LEU 13 -2.048 2.173 -17.245 81 HA LEU 13 HA LEU 13 0.457 1.163 -16.523 82 HB2 LEU 13 1HB LEU 13 -0.772 1.952 -18.999 83 HB3 LEU 13 2HB LEU 13 0.932 1.627 -19.027 84 HG LEU 13 HG LEU 13 0.663 -0.502 -17.869 85 HD11 LEU 13 1HD1 LEU 13 -2.330 0.065 -18.399 86 HD12 LEU 13 2HD1 LEU 13 -1.617 -0.483 -16.810 87 HD13 LEU 13 3HD1 LEU 13 -1.692 -1.569 -18.194 88 HD21 LEU 13 3HD2 LEU 13 0.953 -0.221 -20.469 89 HD22 LEU 13 1HD2 LEU 13 -0.825 -0.351 -20.550 90 HD23 LEU 13 2HD2 LEU 13 0.093 -1.689 -19.883 91 H TYR 14 H TYR 14 -0.367 4.508 -17.265 92 HA TYR 14 HA TYR 14 2.194 5.682 -17.581 93 HB2 TYR 14 1HB TYR 14 0.007 6.876 -17.910 94 HB3 TYR 14 2HB TYR 14 -0.374 6.686 -16.267 95 HD1 TYR 14 HD1 TYR 14 2.617 7.774 -18.349 96 HD2 TYR 14 HD2 TYR 14 0.195 8.587 -14.784 97 HE1 TYR 14 HE1 TYR 14 3.904 9.629 -17.953 98 HE2 TYR 14 HE2 TYR 14 1.157 11.013 -15.193 99 HH TYR 14 HH TYR 14 4.672 11.073 -16.121 100 H GLN 15 H GLN 15 0.278 5.033 -14.559 101 HA GLN 15 HA GLN 15 2.418 6.029 -12.858 102 HB2 GLN 15 1HB GLN 15 -0.127 4.459 -12.347 103 HB3 GLN 15 2HB GLN 15 0.968 4.943 -11.068 104 HG2 GLN 15 1HG GLN 15 -0.309 6.687 -10.898 105 HG3 GLN 15 2HG GLN 15 0.604 7.344 -12.264 106 HE21 GLN 15 2HE2 GLN 15 -2.206 7.693 -11.222 107 HE22 GLN 15 1HE2 GLN 15 -3.229 7.461 -12.640 108 H LEU 16 H LEU 16 1.240 2.905 -14.051 109 HA LEU 16 HA LEU 16 2.622 1.259 -12.178 110 HB2 LEU 16 1HB LEU 16 1.851 0.716 -15.048 111 HB3 LEU 16 2HB LEU 16 2.525 -0.511 -14.015 112 HG LEU 16 HG LEU 16 -0.189 0.811 -13.846 113 HD11 LEU 16 1HD1 LEU 16 -0.944 -1.415 -14.088 114 HD12 LEU 16 2HD1 LEU 16 0.641 -2.100 -13.689 115 HD13 LEU 16 3HD1 LEU 16 0.368 -1.263 -15.239 116 HD21 LEU 16 3HD2 LEU 16 -0.617 -0.369 -11.730 117 HD22 LEU 16 1HD2 LEU 16 0.641 0.838 -11.527 118 HD23 LEU 16 2HD2 LEU 16 1.109 -0.887 -11.682 119 H GLU 17 H GLU 17 3.814 2.854 -15.098 120 HA GLU 17 HA GLU 17 6.333 1.519 -15.350 121 HB2 GLU 17 1HB GLU 17 5.338 4.312 -15.973 122 HB3 GLU 17 2HB GLU 17 7.044 3.912 -16.221 123 HG2 GLU 17 1HG GLU 17 4.858 2.160 -17.329 124 HG3 GLU 17 2HG GLU 17 5.352 3.628 -18.202 125 HE2 GLU 17 HE2 GLU 17 7.632 0.430 -18.195 126 H ASN 18 H ASN 18 5.304 3.783 -12.919 127 HA ASN 18 HA ASN 18 7.894 4.803 -12.299 128 HB2 ASN 18 1HB ASN 18 5.367 4.563 -10.575 129 HB3 ASN 18 2HB ASN 18 6.803 5.539 -10.181 130 HD21 ASN 18 2HD2 ASN 18 4.127 6.471 -10.410 131 HD22 ASN 18 1HD2 ASN 18 4.129 7.693 -11.673 132 H TYR 19 H TYR 19 6.299 1.754 -11.611 133 HA TYR 19 HA TYR 19 7.950 1.272 -9.151 134 HB2 TYR 19 1HB TYR 19 5.748 -0.366 -10.563 135 HB3 TYR 19 2HB TYR 19 6.530 -0.809 -9.017 136 HD1 TYR 19 HD2 TYR 19 6.356 0.975 -7.079 137 HD2 TYR 19 HD1 TYR 19 3.838 1.010 -10.512 138 HE1 TYR 19 HE2 TYR 19 4.702 2.389 -5.882 139 HE2 TYR 19 HE1 TYR 19 2.269 2.526 -9.409 140 HH TYR 19 HH TYR 19 1.636 3.511 -7.380 141 H CYS 20 H CYS 20 8.618 1.214 -12.407 142 HA CYS 20 HA CYS 20 9.973 -1.409 -12.508 143 HB2 CYS 20 1HB CYS 20 10.021 1.078 -14.371 144 HB3 CYS 20 2HB CYS 20 10.914 -0.409 -14.673 145 H ASN 21 H ASN 21 10.503 1.244 -10.696 146 HA ASN 21 HA ASN 21 13.360 1.673 -11.050 147 HB2 ASN 21 1HB ASN 21 13.265 2.845 -8.875 148 HB3 ASN 21 2HB ASN 21 11.895 3.338 -9.880 149 HD21 ASN 21 2HD2 ASN 21 12.387 3.338 -6.831 150 HD22 ASN 21 1HD2 ASN 21 10.953 2.583 -6.251 151 HXT ASN 21 H02 ASN 21 14.687 -0.528 -8.785 152 H1 PHE 1 1H PHE 1 -4.587 -2.615 -19.712 153 H2 PHE 1 2H PHE 1 -6.236 -2.760 -19.472 154 HA PHE 1 HA PHE 1 -4.822 -0.188 -20.023 155 HB2 PHE 1 1HB PHE 1 -6.558 -1.738 -22.060 156 HB3 PHE 1 2HB PHE 1 -5.439 -0.355 -22.228 157 HD1 PHE 1 HD1 PHE 1 -2.881 -0.781 -21.654 158 HD2 PHE 1 HD2 PHE 1 -5.711 -3.837 -22.797 159 HE1 PHE 1 HE1 PHE 1 -1.071 -2.271 -22.285 160 HE2 PHE 1 HE2 PHE 1 -3.900 -5.295 -23.428 161 HZ PHE 1 HZ PHE 1 -1.538 -4.515 -23.169 162 H VAL 2 H VAL 2 -7.057 -1.019 -18.201 163 HA VAL 2 HA VAL 2 -9.279 0.699 -19.237 164 HB VAL 2 HB VAL 2 -9.515 -1.732 -17.426 165 HG11 VAL 2 1HG1 VAL 2 -11.959 -1.546 -17.997 166 HG12 VAL 2 2HG1 VAL 2 -11.349 -0.137 -17.104 167 HG13 VAL 2 3HG1 VAL 2 -11.611 -0.026 -18.857 168 HG21 VAL 2 3HG2 VAL 2 -9.919 -1.531 -20.413 169 HG22 VAL 2 1HG2 VAL 2 -8.826 -2.624 -19.544 170 HG23 VAL 2 2HG2 VAL 2 -10.572 -2.832 -19.448 171 H ASN 3 H ASN 3 -9.858 2.333 -17.958 172 HA ASN 3 HA ASN 3 -8.233 2.941 -15.656 173 HB2 ASN 3 1HB ASN 3 -9.684 4.970 -15.519 174 HB3 ASN 3 2HB ASN 3 -9.047 4.722 -17.132 175 HD21 ASN 3 2HD2 ASN 3 -11.483 6.013 -15.924 176 HD22 ASN 3 1HD2 ASN 3 -12.803 5.429 -16.915 177 H GLN 4 H GLN 4 -8.456 1.538 -13.974 178 HA GLN 4 HA GLN 4 -10.928 1.718 -12.374 179 HB2 GLN 4 1HB GLN 4 -10.264 -0.524 -14.148 180 HB3 GLN 4 2HB GLN 4 -10.341 -1.060 -12.492 181 HG2 GLN 4 1HG GLN 4 -12.622 -0.343 -12.260 182 HG3 GLN 4 2HG GLN 4 -12.558 0.625 -13.711 183 HE21 GLN 4 2HE2 GLN 4 -13.660 -0.203 -15.322 184 HE22 GLN 4 1HE2 GLN 4 -13.868 -1.903 -15.649 185 H HIS 5 H HIS 5 -10.505 -0.038 -10.466 186 HA HIS 5 HA HIS 5 -8.095 0.878 -9.103 187 HB2 HIS 5 1HB HIS 5 -10.057 -1.095 -7.929 188 HB3 HIS 5 2HB HIS 5 -9.001 0.129 -7.159 189 HD1 HIS 5 HD1 HIS 5 -9.828 2.645 -7.440 190 HD2 HIS 5 HD2 HIS 5 -12.532 -0.363 -8.658 191 HE1 HIS 5 HE1 HIS 5 -12.235 3.710 -7.464 192 HE2 HIS 5 H01 HIS 5 -13.796 1.890 -8.316 193 H LEU 6 H LEU 6 -6.518 -0.109 -10.525 194 HA LEU 6 HA LEU 6 -6.498 -2.847 -11.124 195 HB2 LEU 6 1HB LEU 6 -4.277 -0.861 -10.956 196 HB3 LEU 6 2HB LEU 6 -4.015 -2.490 -11.597 197 HG LEU 6 HG LEU 6 -5.962 -0.450 -12.847 198 HD11 LEU 6 1HD1 LEU 6 -3.115 -1.368 -13.723 199 HD12 LEU 6 2HD1 LEU 6 -3.522 0.194 -12.964 200 HD13 LEU 6 3HD1 LEU 6 -4.152 -0.182 -14.572 201 HD21 LEU 6 3HD2 LEU 6 -5.071 -3.283 -13.559 202 HD22 LEU 6 1HD2 LEU 6 -5.673 -2.112 -14.800 203 HD23 LEU 6 2HD2 LEU 6 -6.729 -2.579 -13.448 204 H CYS 7 H CYS 7 -6.538 -4.471 -9.820 205 HA CYS 7 HA CYS 7 -4.342 -4.523 -7.801 206 HB2 CYS 7 1HB CYS 7 -6.748 -3.748 -6.963 207 HB3 CYS 7 2HB CYS 7 -7.119 -5.491 -7.116 208 H AIB 8 H AIB 8 -4.452 -6.857 -6.686 209 HB11 AIB 8 1HB1 AIB 8 -5.924 -10.396 -7.517 210 HB12 AIB 8 3HB1 AIB 8 -6.610 -9.048 -8.476 211 HB13 AIB 8 1HB2 AIB 8 -6.399 -8.898 -6.678 212 HB21 AIB 8 3HB2 AIB 8 -3.568 -10.368 -6.729 213 HB22 AIB 8 2HB1 AIB 8 -4.073 -9.064 -5.630 214 HB23 AIB 8 2HB2 AIB 8 -2.593 -8.833 -6.669 215 H SER 9 H SER 9 -5.094 -10.654 -9.435 216 HA SER 9 HA SER 9 -2.754 -10.884 -11.020 217 HB2 SER 9 1HB SER 9 -4.599 -12.547 -10.978 218 HB3 SER 9 2HB SER 9 -5.608 -11.373 -11.858 219 HG SER 9 HG SER 9 -4.511 -12.916 -13.270 220 H HIS 10 H HIS 10 -5.399 -8.658 -11.452 221 HA HIS 10 HA HIS 10 -4.697 -8.028 -14.192 222 HB2 HIS 10 1HB HIS 10 -6.102 -6.262 -12.123 223 HB3 HIS 10 2HB HIS 10 -6.168 -6.101 -13.928 224 HD1 HIS 10 HD1 HIS 10 -6.844 -8.953 -14.815 225 HD2 HIS 10 HD2 HIS 10 -8.541 -7.190 -11.390 226 HE1 HIS 10 HE1 HIS 10 -9.030 -10.155 -14.424 227 HE2 HIS 10 H01 HIS 10 -10.037 -9.157 -12.270 228 H LEU 11 H LEU 11 -3.852 -6.598 -11.036 229 HA LEU 11 HA LEU 11 -2.357 -4.460 -12.136 230 HB2 LEU 11 1HB LEU 11 -3.172 -4.484 -9.822 231 HB3 LEU 11 2HB LEU 11 -2.245 -5.905 -9.445 232 HG LEU 11 HG LEU 11 -1.527 -3.768 -8.350 233 HD11 LEU 11 1HD1 LEU 11 0.714 -4.950 -10.098 234 HD12 LEU 11 2HD1 LEU 11 -0.014 -5.810 -8.707 235 HD13 LEU 11 3HD1 LEU 11 0.812 -4.280 -8.486 236 HD21 LEU 11 3HD2 LEU 11 -1.779 -2.176 -10.195 237 HD22 LEU 11 1HD2 LEU 11 -0.488 -3.004 -11.107 238 HD23 LEU 11 2HD2 LEU 11 -0.103 -2.209 -9.571 239 H VAL 12 H VAL 12 -1.508 -7.727 -11.115 240 HA VAL 12 HA VAL 12 1.282 -7.413 -11.466 241 HB VAL 12 HB VAL 12 -0.448 -9.943 -11.543 242 HG11 VAL 12 1HG1 VAL 12 1.759 -10.373 -12.592 243 HG12 VAL 12 2HG1 VAL 12 2.553 -9.790 -11.107 244 HG13 VAL 12 3HG1 VAL 12 1.531 -11.272 -11.074 245 HG21 VAL 12 3HG2 VAL 12 -0.615 -8.719 -9.446 246 HG22 VAL 12 1HG2 VAL 12 0.248 -10.261 -9.222 247 HG23 VAL 12 2HG2 VAL 12 1.149 -8.731 -9.263 248 H GLU 13 H GLU 13 -1.201 -8.735 -13.688 249 HA GLU 13 HA GLU 13 0.664 -9.299 -15.803 250 HB2 GLU 13 1HB GLU 13 -1.747 -10.085 -15.558 251 HB3 GLU 13 2HB GLU 13 -2.249 -8.516 -16.062 252 HG2 GLU 13 1HG GLU 13 -0.941 -8.889 -18.244 253 HG3 GLU 13 2HG GLU 13 -0.620 -10.500 -17.646 254 HE2 GLU 13 HE2 GLU 13 -3.490 -10.659 -19.731 255 H ALA 14 H ALA 14 -1.279 -6.361 -15.030 256 HA ALA 14 HA ALA 14 -0.518 -4.977 -17.444 257 HB1 ALA 14 3HB ALA 14 -1.324 -3.017 -16.324 258 HB2 ALA 14 1HB ALA 14 -2.414 -4.384 -15.980 259 HB3 ALA 14 2HB ALA 14 -1.260 -3.824 -14.748 260 H LEU 15 H LEU 15 0.954 -4.911 -14.171 261 HA LEU 15 HA LEU 15 3.027 -3.063 -14.811 262 HB2 LEU 15 1HB LEU 15 2.380 -3.687 -12.535 263 HB3 LEU 15 2HB LEU 15 2.939 -5.357 -12.798 264 HG LEU 15 HG LEU 15 5.266 -4.550 -13.100 265 HD11 LEU 15 1HD1 LEU 15 4.056 -1.896 -12.113 266 HD12 LEU 15 2HD1 LEU 15 4.821 -2.176 -13.689 267 HD13 LEU 15 3HD1 LEU 15 5.812 -2.283 -12.221 268 HD21 LEU 15 3HD2 LEU 15 4.652 -5.539 -11.000 269 HD22 LEU 15 1HD2 LEU 15 3.811 -4.060 -10.470 270 HD23 LEU 15 2HD2 LEU 15 5.581 -4.109 -10.650 271 H TYR 16 H TYR 16 2.898 -6.732 -15.056 272 HA TYR 16 HA TYR 16 5.604 -7.032 -16.004 273 HB2 TYR 16 1HB TYR 16 4.147 -8.868 -15.186 274 HB3 TYR 16 2HB TYR 16 3.176 -8.725 -16.640 275 HD1 TYR 16 HD2 TYR 16 6.763 -9.315 -15.626 276 HD2 TYR 16 HD1 TYR 16 3.697 -10.030 -18.591 277 HE1 TYR 16 HE2 TYR 16 8.252 -10.924 -16.746 278 HE2 TYR 16 HE1 TYR 16 5.203 -11.584 -19.740 279 HH TYR 16 HH TYR 16 7.247 -12.640 -19.734 280 H LEU 17 H LEU 17 2.547 -6.398 -17.780 281 HA LEU 17 HA LEU 17 3.769 -6.660 -20.362 282 HB2 LEU 17 1HB LEU 17 1.352 -5.149 -19.429 283 HB3 LEU 17 2HB LEU 17 1.882 -5.107 -21.100 284 HG LEU 17 HG LEU 17 1.215 -7.632 -19.504 285 HD11 LEU 17 1HD1 LEU 17 -0.847 -7.738 -20.735 286 HD12 LEU 17 2HD1 LEU 17 -0.363 -6.364 -21.779 287 HD13 LEU 17 3HD1 LEU 17 -0.739 -6.098 -20.050 288 HD21 LEU 17 3HD2 LEU 17 2.778 -8.239 -21.212 289 HD22 LEU 17 1HD2 LEU 17 1.929 -7.273 -22.431 290 HD23 LEU 17 2HD2 LEU 17 1.216 -8.737 -21.787 291 H VAL 18 H VAL 18 3.282 -3.712 -18.298 292 HA VAL 18 HA VAL 18 4.406 -2.075 -20.447 293 HB VAL 18 HB VAL 18 2.686 -1.279 -18.830 294 HG11 VAL 18 1HG1 VAL 18 3.786 -2.056 -16.656 295 HG12 VAL 18 2HG1 VAL 18 4.997 -0.769 -16.855 296 HG13 VAL 18 3HG1 VAL 18 3.239 -0.388 -16.649 297 HG21 VAL 18 3HG2 VAL 18 3.503 1.019 -18.857 298 HG22 VAL 18 1HG2 VAL 18 5.119 0.448 -19.298 299 HG23 VAL 18 2HG2 VAL 18 3.762 0.197 -20.361 300 H CYS 19 H CYS 19 5.678 -3.515 -17.485 301 HA CYS 19 HA CYS 19 8.198 -2.105 -17.756 302 HB2 CYS 19 1HB CYS 19 6.958 -3.337 -15.703 303 HB3 CYS 19 2HB CYS 19 8.044 -4.602 -16.224 304 H GLY 20 H GLY 20 6.789 -4.999 -19.041 305 HA2 GLY 20 1HA GLY 20 7.735 -6.263 -20.799 306 HA3 GLY 20 2HA GLY 20 9.287 -5.448 -20.529 307 H GLU 21 H GLU 21 9.412 -8.038 -20.986 308 HA GLU 21 HA GLU 21 9.299 -9.734 -18.664 309 HB2 GLU 21 1HB GLU 21 10.384 -11.375 -19.957 310 HB3 GLU 21 2HB GLU 21 9.251 -10.525 -21.007 311 HG2 GLU 21 1HG GLU 21 11.221 -9.129 -21.842 312 HG3 GLU 21 2HG GLU 21 12.239 -10.250 -20.957 313 HE2 GLU 21 HE2 GLU 21 10.096 -9.854 -23.473 314 H ARG 22 H ARG 22 11.090 -7.105 -18.905 315 HA ARG 22 HA ARG 22 13.741 -7.918 -18.171 316 HB2 ARG 22 1HB ARG 22 12.266 -5.357 -17.297 317 HB3 ARG 22 2HB ARG 22 13.997 -5.645 -17.413 318 HG2 ARG 22 1HG ARG 22 12.037 -5.226 -19.753 319 HG3 ARG 22 2HG ARG 22 13.319 -4.178 -19.215 320 HD2 ARG 22 1HD ARG 22 14.996 -5.960 -19.857 321 HD3 ARG 22 2HD ARG 22 13.689 -6.913 -20.516 322 HE ARG 22 HE ARG 22 13.633 -4.263 -21.660 323 HH11 ARG 22 1HH1 ARG 22 15.403 -7.364 -21.857 324 HH12 ARG 22 2HH1 ARG 22 15.925 -6.974 -23.494 325 HH21 ARG 22 1HH2 ARG 22 14.372 -4.002 -23.708 326 HH22 ARG 22 2HH2 ARG 22 15.372 -5.153 -24.518 327 H GLY 23 H GLY 23 10.630 -7.282 -16.605 328 HA2 GLY 23 1HA GLY 23 9.807 -8.357 -14.704 329 HA3 GLY 23 2HA GLY 23 11.416 -8.933 -14.365 330 H PHE 24 H PHE 24 9.248 -7.792 -12.696 331 HA PHE 24 HA PHE 24 10.831 -5.515 -11.512 332 HB2 PHE 24 1HB PHE 24 8.742 -5.098 -10.274 333 HB3 PHE 24 2HB PHE 24 8.608 -4.900 -12.051 334 HD1 PHE 24 HD2 PHE 24 7.364 -6.454 -13.413 335 HD2 PHE 24 HD1 PHE 24 7.529 -6.909 -9.126 336 HE1 PHE 24 HE2 PHE 24 5.605 -8.173 -13.542 337 HE2 PHE 24 HE1 PHE 24 5.724 -8.542 -9.225 338 HZ PHE 24 HZ PHE 24 4.742 -9.190 -11.424 339 H PHE 25 H PHE 25 9.933 -8.884 -11.268 340 HA PHE 25 HA PHE 25 10.605 -9.012 -8.399 341 HB2 PHE 25 1HB PHE 25 9.327 -10.778 -10.337 342 HB3 PHE 25 2HB PHE 25 10.426 -11.588 -9.280 343 HD1 PHE 25 HD2 PHE 25 8.627 -8.609 -8.101 344 HD2 PHE 25 HD1 PHE 25 8.649 -12.910 -8.303 345 HE1 PHE 25 HE2 PHE 25 6.749 -8.674 -6.458 346 HE2 PHE 25 HE1 PHE 25 6.790 -12.962 -6.508 347 HZ PHE 25 HZ PHE 25 5.877 -10.862 -5.664 348 H TYR 26 H TYR 26 12.359 -8.072 -10.573 349 HA TYR 26 HA TYR 26 14.468 -9.909 -10.987 350 HB2 TYR 26 1HB TYR 26 14.204 -8.094 -12.563 351 HB3 TYR 26 2HB TYR 26 14.082 -6.928 -11.220 352 HD1 TYR 26 HD2 TYR 26 16.437 -9.190 -13.065 353 HD2 TYR 26 HD1 TYR 26 16.014 -5.852 -10.288 354 HE1 TYR 26 HE2 TYR 26 18.896 -8.729 -13.140 355 HE2 TYR 26 HE1 TYR 26 18.395 -5.418 -10.452 356 HH TYR 26 HH TYR 26 20.389 -6.019 -11.353 357 H THR 27 H THR 27 13.422 -7.657 -8.513 358 HA THR 27 HA THR 27 15.742 -8.460 -6.806 359 HB THR 27 HB THR 27 14.887 -6.446 -5.445 360 HG1 THR 27 HG1 THR 27 14.125 -4.867 -7.065 361 HG21 THR 27 1HG2 THR 27 16.395 -4.962 -6.728 362 HG22 THR 27 2HG2 THR 27 16.262 -6.032 -8.147 363 HG23 THR 27 3HG2 THR 27 17.089 -6.582 -6.660 364 H LYS 28 H LYS 28 14.710 -10.464 -6.378 365 HA LYS 28 HA LYS 28 11.963 -10.658 -5.492 366 HB2 LYS 28 1HB LYS 28 14.253 -12.567 -5.033 367 HB3 LYS 28 2HB LYS 28 12.560 -12.897 -4.745 368 HG2 LYS 28 1HG LYS 28 12.139 -12.375 -7.157 369 HG3 LYS 28 2HG LYS 28 13.882 -12.376 -7.443 370 HD2 LYS 28 1HD LYS 28 13.938 -14.642 -6.291 371 HD3 LYS 28 2HD LYS 28 12.171 -14.696 -6.597 372 HE2 LYS 28 1HE LYS 28 14.368 -14.152 -8.729 373 HE3 LYS 28 2HE LYS 28 13.533 -15.701 -8.521 374 HZ1 LYS 28 3HZ LYS 28 11.404 -14.486 -8.956 375 HZ2 LYS 28 1HZ LYS 28 12.469 -14.305 -10.242 376 HZ3 LYS 28 2HZ LYS 28 12.272 -13.087 -9.158 377 HA PRO 29 HA PRO 29 12.556 -9.429 -1.274 378 HB2 PRO 29 1HB PRO 29 10.421 -10.562 -0.056 379 HB3 PRO 29 2HB PRO 29 10.192 -9.227 -1.186 380 HG2 PRO 29 1HG PRO 29 9.888 -12.164 -1.678 381 HG3 PRO 29 2HG PRO 29 8.762 -10.842 -2.124 382 HD2 PRO 29 1HD PRO 29 10.495 -11.791 -3.926 383 HD3 PRO 29 2HD PRO 29 10.054 -10.034 -3.869 384 H THR 30 H THR 30 14.547 -10.489 -0.759 385 HA THR 30 HA THR 30 14.254 -13.291 0.324 386 HB THR 30 HB THR 30 16.721 -13.479 -0.226 387 HG1 THR 30 HG1 THR 30 17.080 -11.960 -2.198 388 HG21 THR 30 1HG2 THR 30 16.366 -14.066 -2.609 389 HG22 THR 30 2HG2 THR 30 14.933 -12.967 -2.631 390 HG23 THR 30 3HG2 THR 30 14.855 -14.475 -1.669 391 HXT THR 30 H02 THR 30 14.367 -13.306 2.187 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 1.094 1.469 0.553 2 H2 GLY 1 2H GLY 1 1.283 3.056 0.777 3 HA2 GLY 1 1HA GLY 1 3.327 3.074 -0.572 4 HA3 GLY 1 2HA GLY 1 3.100 1.350 -0.823 5 H ILE 2 H ILE 2 3.510 2.854 -2.798 6 HA ILE 2 HA ILE 2 1.333 4.014 -4.165 7 HB ILE 2 HB ILE 2 3.635 2.603 -5.530 8 HG12 ILE 2 1HG1 ILE 2 3.698 5.402 -4.341 9 HG13 ILE 2 2HG1 ILE 2 4.531 3.970 -3.646 10 HG21 ILE 2 1HG2 ILE 2 1.799 3.651 -6.984 11 HG22 ILE 2 2HG2 ILE 2 2.177 5.221 -6.289 12 HG23 ILE 2 3HG2 ILE 2 3.389 4.389 -7.293 13 HD11 ILE 2 3HD1 ILE 2 6.199 5.171 -4.858 14 HD12 ILE 2 1HD1 ILE 2 5.792 3.760 -5.883 15 HD13 ILE 2 2HD1 ILE 2 5.141 5.366 -6.299 16 H VAL 3 H VAL 3 2.403 0.603 -4.030 17 HA VAL 3 HA VAL 3 0.561 -0.186 -6.074 18 HB VAL 3 HB VAL 3 2.613 -1.509 -5.539 19 HG11 VAL 3 1HG1 VAL 3 1.079 -2.558 -3.117 20 HG12 VAL 3 2HG1 VAL 3 2.717 -2.961 -3.643 21 HG13 VAL 3 3HG1 VAL 3 2.379 -1.348 -3.005 22 HG21 VAL 3 3HG2 VAL 3 0.665 -2.468 -6.795 23 HG22 VAL 3 1HG2 VAL 3 1.643 -3.676 -5.949 24 HG23 VAL 3 2HG2 VAL 3 0.104 -3.201 -5.265 25 H GLU 4 H GLU 4 0.331 0.019 -2.520 26 HA GLU 4 HA GLU 4 -2.242 -1.244 -2.306 27 HB2 GLU 4 1HB GLU 4 -0.683 -0.734 -0.412 28 HB3 GLU 4 2HB GLU 4 -1.031 1.007 -0.636 29 HG2 GLU 4 1HG GLU 4 -3.406 0.540 -0.133 30 HG3 GLU 4 2HG GLU 4 -2.993 -1.137 0.193 31 HE2 GLU 4 HE2 GLU 4 -3.466 1.688 1.400 32 H GLN 5 H GLN 5 -1.152 2.056 -2.942 33 HA GLN 5 HA GLN 5 -3.758 3.257 -3.084 34 HB2 GLN 5 1HB GLN 5 -1.573 4.430 -2.891 35 HB3 GLN 5 2HB GLN 5 -1.203 4.039 -4.565 36 HG2 GLN 5 1HG GLN 5 -3.240 5.290 -5.258 37 HG3 GLN 5 2HG GLN 5 -3.501 5.724 -3.549 38 HE21 GLN 5 2HE2 GLN 5 -2.986 7.448 -5.903 39 HE22 GLN 5 1HE2 GLN 5 -1.522 8.354 -5.478 40 H CYS 6 H CYS 6 -1.749 1.529 -5.530 41 HA CYS 6 HA CYS 6 -3.446 2.118 -7.777 42 HB2 CYS 6 1HB CYS 6 -1.062 0.854 -7.353 43 HB3 CYS 6 2HB CYS 6 -2.129 -0.487 -7.802 44 H CYS 7 H CYS 7 -3.447 -0.612 -5.417 45 HA CYS 7 HA CYS 7 -5.537 -2.025 -6.777 46 HB2 CYS 7 1HB CYS 7 -4.665 -2.095 -3.858 47 HB3 CYS 7 2HB CYS 7 -5.775 -3.250 -4.639 48 H THR 8 H THR 8 -5.766 0.650 -4.474 49 HA THR 8 HA THR 8 -8.611 0.093 -4.078 50 HB THR 8 HB THR 8 -7.045 1.021 -2.246 51 HG1 THR 8 HG1 THR 8 -8.749 2.330 -1.450 52 HG21 THR 8 1HG2 THR 8 -7.726 3.704 -3.525 53 HG22 THR 8 2HG2 THR 8 -6.161 2.915 -3.749 54 HG23 THR 8 3HG2 THR 8 -6.694 3.376 -2.089 55 H SER 9 H SER 9 -6.753 1.659 -6.392 56 HA SER 9 HA SER 9 -9.068 3.348 -7.237 57 HB2 SER 9 1HB SER 9 -6.972 4.530 -6.395 58 HB3 SER 9 2HB SER 9 -6.119 3.841 -7.797 59 HG SER 9 HG SER 9 -7.227 6.049 -7.897 60 H ILE 10 H ILE 10 -8.000 3.946 -9.751 61 HA ILE 10 HA ILE 10 -7.899 1.255 -11.073 62 HB ILE 10 HB ILE 10 -8.635 3.956 -12.274 63 HG12 ILE 10 1HG1 ILE 10 -10.345 3.318 -10.581 64 HG13 ILE 10 2HG1 ILE 10 -10.993 3.295 -12.225 65 HG21 ILE 10 1HG2 ILE 10 -9.579 2.490 -14.125 66 HG22 ILE 10 2HG2 ILE 10 -7.813 2.465 -13.999 67 HG23 ILE 10 3HG2 ILE 10 -8.735 1.088 -13.399 68 HD11 ILE 10 3HD1 ILE 10 -11.780 1.377 -10.787 69 HD12 ILE 10 1HD1 ILE 10 -10.930 0.811 -12.229 70 HD13 ILE 10 2HD1 ILE 10 -10.103 0.794 -10.663 71 H CYS 11 H CYS 11 -5.895 0.747 -11.808 72 HA CYS 11 HA CYS 11 -3.770 2.692 -11.620 73 HB2 CYS 11 1HB CYS 11 -3.818 -0.050 -12.849 74 HB3 CYS 11 2HB CYS 11 -2.358 0.876 -12.590 75 H SER 12 H SER 12 -2.421 3.414 -13.254 76 HA SER 12 HA SER 12 -3.340 2.970 -16.053 77 HB2 SER 12 1HB SER 12 -2.612 5.691 -14.887 78 HB3 SER 12 2HB SER 12 -3.039 5.346 -16.596 79 HG SER 12 HG SER 12 -4.978 4.353 -15.234 80 H LEU 13 H LEU 13 -1.598 3.431 -17.610 81 HA LEU 13 HA LEU 13 0.602 1.938 -16.975 82 HB2 LEU 13 1HB LEU 13 0.275 3.806 -19.312 83 HB3 LEU 13 2HB LEU 13 1.631 2.742 -19.086 84 HG LEU 13 HG LEU 13 -0.137 0.812 -18.802 85 HD11 LEU 13 1HD1 LEU 13 -1.912 2.995 -19.941 86 HD12 LEU 13 2HD1 LEU 13 -2.327 1.841 -18.674 87 HD13 LEU 13 3HD1 LEU 13 -2.197 1.347 -20.366 88 HD21 LEU 13 3HD2 LEU 13 0.200 2.182 -21.494 89 HD22 LEU 13 1HD2 LEU 13 -0.149 0.452 -21.213 90 HD23 LEU 13 2HD2 LEU 13 1.396 1.098 -20.683 91 H TYR 14 H TYR 14 0.469 5.571 -16.701 92 HA TYR 14 HA TYR 14 3.289 5.760 -16.462 93 HB2 TYR 14 1HB TYR 14 1.608 7.713 -16.840 94 HB3 TYR 14 2HB TYR 14 1.354 7.740 -15.144 95 HD1 TYR 14 HD2 TYR 14 3.870 8.009 -17.885 96 HD2 TYR 14 HD1 TYR 14 3.157 8.551 -13.709 97 HE1 TYR 14 HE2 TYR 14 6.272 8.636 -17.274 98 HE2 TYR 14 HE1 TYR 14 5.161 9.777 -13.390 99 HH TYR 14 HH TYR 14 7.196 10.414 -14.320 100 H GLN 15 H GLN 15 0.815 5.441 -13.950 101 HA GLN 15 HA GLN 15 2.736 5.564 -11.787 102 HB2 GLN 15 1HB GLN 15 -0.023 4.310 -11.959 103 HB3 GLN 15 2HB GLN 15 0.936 4.429 -10.482 104 HG2 GLN 15 1HG GLN 15 -0.392 6.254 -10.218 105 HG3 GLN 15 2HG GLN 15 0.980 7.002 -11.044 106 HE21 GLN 15 2HE2 GLN 15 -1.828 7.815 -10.814 107 HE22 GLN 15 1HE2 GLN 15 -2.448 7.952 -12.470 108 H LEU 16 H LEU 16 1.284 2.943 -13.765 109 HA LEU 16 HA LEU 16 2.341 0.706 -12.385 110 HB2 LEU 16 1HB LEU 16 1.670 1.263 -15.257 111 HB3 LEU 16 2HB LEU 16 2.458 -0.235 -14.805 112 HG LEU 16 HG LEU 16 -0.133 0.602 -13.519 113 HD11 LEU 16 1HD1 LEU 16 -1.276 -0.924 -15.044 114 HD12 LEU 16 2HD1 LEU 16 0.304 -1.242 -15.897 115 HD13 LEU 16 3HD1 LEU 16 -0.452 0.381 -15.958 116 HD21 LEU 16 3HD2 LEU 16 1.145 -1.103 -12.289 117 HD22 LEU 16 1HD2 LEU 16 1.343 -2.046 -13.795 118 HD23 LEU 16 2HD2 LEU 16 -0.264 -1.885 -13.059 119 H GLU 17 H GLU 17 4.014 2.849 -14.696 120 HA GLU 17 HA GLU 17 6.411 1.355 -15.084 121 HB2 GLU 17 1HB GLU 17 5.933 4.355 -14.779 122 HB3 GLU 17 2HB GLU 17 7.483 3.676 -15.129 123 HG2 GLU 17 1HG GLU 17 6.692 2.716 -17.189 124 HG3 GLU 17 2HG GLU 17 5.037 3.279 -16.843 125 HE2 GLU 17 HE2 GLU 17 7.812 5.732 -18.237 126 H ASN 18 H ASN 18 5.382 3.068 -12.093 127 HA ASN 18 HA ASN 18 8.001 3.274 -11.011 128 HB2 ASN 18 1HB ASN 18 5.275 3.096 -9.709 129 HB3 ASN 18 2HB ASN 18 6.743 3.209 -8.731 130 HD21 ASN 18 2HD2 ASN 18 4.266 5.029 -9.502 131 HD22 ASN 18 1HD2 ASN 18 5.111 6.562 -9.766 132 H TYR 19 H TYR 19 5.942 0.501 -11.388 133 HA TYR 19 HA TYR 19 7.382 -0.948 -9.264 134 HB2 TYR 19 1HB TYR 19 5.297 -1.993 -11.166 135 HB3 TYR 19 2HB TYR 19 5.723 -2.677 -9.611 136 HD1 TYR 19 HD2 TYR 19 5.491 -0.658 -7.615 137 HD2 TYR 19 HD1 TYR 19 3.211 -1.024 -11.225 138 HE1 TYR 19 HE2 TYR 19 3.579 0.714 -6.584 139 HE2 TYR 19 HE1 TYR 19 1.371 0.334 -10.248 140 HH TYR 19 HH TYR 19 1.475 1.719 -6.977 141 H CYS 20 H CYS 20 7.836 -0.175 -12.498 142 HA CYS 20 HA CYS 20 9.327 -2.688 -13.196 143 HB2 CYS 20 1HB CYS 20 8.438 -0.225 -14.702 144 HB3 CYS 20 2HB CYS 20 9.825 -1.161 -15.274 145 H ASN 21 H ASN 21 9.666 0.164 -11.484 146 HA ASN 21 HA ASN 21 12.300 1.070 -12.364 147 HB2 ASN 21 1HB ASN 21 10.860 2.609 -11.113 148 HB3 ASN 21 2HB ASN 21 10.831 1.541 -9.758 149 HD21 ASN 21 2HD2 ASN 21 11.912 2.475 -8.213 150 HD22 ASN 21 1HD2 ASN 21 13.507 3.091 -8.320 151 HXT ASN 21 H02 ASN 21 13.636 -0.254 -12.386 152 H1 PHE 1 1H PHE 1 -4.344 2.205 -20.446 153 H2 PHE 1 2H PHE 1 -4.626 2.210 -22.069 154 HA PHE 1 HA PHE 1 -7.011 2.351 -21.661 155 HB2 PHE 1 1HB PHE 1 -7.201 -0.029 -20.827 156 HB3 PHE 1 2HB PHE 1 -6.133 0.243 -22.176 157 HD1 PHE 1 HD2 PHE 1 -6.079 -0.093 -18.402 158 HD2 PHE 1 HD1 PHE 1 -3.923 -0.557 -22.078 159 HE1 PHE 1 HE2 PHE 1 -4.213 -1.208 -17.184 160 HE2 PHE 1 HE1 PHE 1 -2.056 -1.632 -20.888 161 HZ PHE 1 HZ PHE 1 -2.166 -1.987 -18.413 162 H VAL 2 H VAL 2 -8.710 1.920 -20.293 163 HA VAL 2 HA VAL 2 -8.316 2.593 -17.431 164 HB VAL 2 HB VAL 2 -10.792 3.008 -19.171 165 HG11 VAL 2 1HG1 VAL 2 -11.752 4.102 -17.144 166 HG12 VAL 2 2HG1 VAL 2 -11.426 2.373 -16.882 167 HG13 VAL 2 3HG1 VAL 2 -10.327 3.638 -16.179 168 HG21 VAL 2 3HG2 VAL 2 -9.064 4.699 -19.616 169 HG22 VAL 2 1HG2 VAL 2 -10.396 5.416 -18.683 170 HG23 VAL 2 2HG2 VAL 2 -8.851 5.010 -17.850 171 H ASN 3 H ASN 3 -8.929 0.951 -16.053 172 HA ASN 3 HA ASN 3 -10.347 -1.414 -17.217 173 HB2 ASN 3 1HB ASN 3 -7.704 -1.538 -17.145 174 HB3 ASN 3 2HB ASN 3 -7.900 -1.701 -15.396 175 HD21 ASN 3 2HD2 ASN 3 -8.330 -3.137 -18.517 176 HD22 ASN 3 1HD2 ASN 3 -8.690 -4.751 -17.992 177 H GLN 4 H GLN 4 -9.994 -2.886 -14.715 178 HA GLN 4 HA GLN 4 -11.681 -1.173 -12.900 179 HB2 GLN 4 1HB GLN 4 -11.766 -3.939 -13.707 180 HB3 GLN 4 2HB GLN 4 -11.461 -3.865 -11.994 181 HG2 GLN 4 1HG GLN 4 -13.808 -3.922 -12.210 182 HG3 GLN 4 2HG GLN 4 -13.340 -2.250 -11.793 183 HE21 GLN 4 2HE2 GLN 4 -14.559 -0.805 -12.928 184 HE22 GLN 4 1HE2 GLN 4 -15.078 -0.994 -14.607 185 H HIS 5 H HIS 5 -11.109 -2.517 -10.553 186 HA HIS 5 HA HIS 5 -8.647 -1.293 -9.734 187 HB2 HIS 5 1HB HIS 5 -10.374 -3.438 -8.411 188 HB3 HIS 5 2HB HIS 5 -9.027 -2.590 -7.627 189 HD1 HIS 5 HD1 HIS 5 -9.330 0.148 -7.508 190 HD2 HIS 5 HD2 HIS 5 -12.761 -2.176 -8.039 191 HE1 HIS 5 HE1 HIS 5 -11.282 1.595 -6.797 192 HE2 HIS 5 H01 HIS 5 -13.383 0.188 -7.216 193 H LEU 6 H LEU 6 -6.574 -2.155 -9.768 194 HA LEU 6 HA LEU 6 -6.371 -4.975 -10.762 195 HB2 LEU 6 1HB LEU 6 -4.722 -2.494 -11.281 196 HB3 LEU 6 2HB LEU 6 -4.123 -4.115 -11.643 197 HG LEU 6 HG LEU 6 -6.711 -3.062 -12.833 198 HD11 LEU 6 1HD1 LEU 6 -5.079 -1.491 -13.480 199 HD12 LEU 6 2HD1 LEU 6 -5.415 -2.525 -14.855 200 HD13 LEU 6 3HD1 LEU 6 -3.910 -2.770 -13.938 201 HD21 LEU 6 3HD2 LEU 6 -6.490 -5.441 -12.995 202 HD22 LEU 6 1HD2 LEU 6 -4.784 -5.277 -13.609 203 HD23 LEU 6 2HD2 LEU 6 -6.164 -4.723 -14.577 204 H CYS 7 H CYS 7 -5.840 -6.248 -9.133 205 HA CYS 7 HA CYS 7 -3.417 -5.650 -7.551 206 HB2 CYS 7 1HB CYS 7 -5.874 -5.230 -6.436 207 HB3 CYS 7 2HB CYS 7 -5.651 -6.904 -6.025 208 H AIB 8 H AIB 8 -2.841 -7.727 -6.337 209 HB11 AIB 8 1HB1 AIB 8 -4.623 -10.772 -7.666 210 HB12 AIB 8 3HB1 AIB 8 -4.441 -10.346 -5.948 211 HB13 AIB 8 1HB2 AIB 8 -3.560 -11.716 -6.639 212 HB21 AIB 8 3HB2 AIB 8 -1.157 -10.911 -6.270 213 HB22 AIB 8 2HB1 AIB 8 -1.870 -9.772 -5.135 214 HB23 AIB 8 2HB2 AIB 8 -0.747 -9.235 -6.407 215 H SER 9 H SER 9 -2.867 -11.882 -8.643 216 HA SER 9 HA SER 9 -0.781 -11.601 -10.502 217 HB2 SER 9 1HB SER 9 -1.923 -13.345 -11.747 218 HB3 SER 9 2HB SER 9 -2.015 -13.693 -10.021 219 HG SER 9 HG SER 9 -3.979 -13.968 -11.163 220 H HIS 10 H HIS 10 -3.971 -10.127 -10.606 221 HA HIS 10 HA HIS 10 -3.937 -9.525 -13.420 222 HB2 HIS 10 1HB HIS 10 -5.347 -7.922 -11.274 223 HB3 HIS 10 2HB HIS 10 -5.817 -8.113 -12.971 224 HD1 HIS 10 HD1 HIS 10 -6.437 -10.821 -13.592 225 HD2 HIS 10 HD2 HIS 10 -6.689 -9.544 -9.607 226 HE1 HIS 10 HE1 HIS 10 -7.952 -12.475 -12.369 227 HE2 HIS 10 H01 HIS 10 -8.064 -11.687 -9.971 228 H LEU 11 H LEU 11 -2.884 -7.745 -10.473 229 HA LEU 11 HA LEU 11 -2.027 -5.370 -11.920 230 HB2 LEU 11 1HB LEU 11 -2.449 -5.587 -9.470 231 HB3 LEU 11 2HB LEU 11 -1.054 -6.604 -9.319 232 HG LEU 11 HG LEU 11 -0.920 -4.248 -8.469 233 HD11 LEU 11 1HD1 LEU 11 1.072 -5.710 -8.855 234 HD12 LEU 11 2HD1 LEU 11 1.427 -3.982 -9.018 235 HD13 LEU 11 3HD1 LEU 11 1.243 -4.987 -10.449 236 HD21 LEU 11 3HD2 LEU 11 -0.479 -2.384 -9.938 237 HD22 LEU 11 1HD2 LEU 11 -2.018 -3.202 -10.466 238 HD23 LEU 11 2HD2 LEU 11 -0.513 -3.455 -11.346 239 H VAL 12 H VAL 12 -0.482 -8.484 -10.997 240 HA VAL 12 HA VAL 12 2.164 -7.756 -11.889 241 HB VAL 12 HB VAL 12 0.880 -10.551 -11.896 242 HG11 VAL 12 1HG1 VAL 12 2.951 -10.464 -13.188 243 HG12 VAL 12 2HG1 VAL 12 3.788 -9.643 -11.847 244 HG13 VAL 12 3HG1 VAL 12 3.211 -11.333 -11.661 245 HG21 VAL 12 3HG2 VAL 12 2.403 -9.039 -9.732 246 HG22 VAL 12 1HG2 VAL 12 0.728 -9.582 -9.666 247 HG23 VAL 12 2HG2 VAL 12 1.990 -10.769 -9.640 248 H GLU 13 H GLU 13 -0.650 -9.187 -13.666 249 HA GLU 13 HA GLU 13 0.733 -9.470 -16.154 250 HB2 GLU 13 1HB GLU 13 -1.517 -10.439 -15.631 251 HB3 GLU 13 2HB GLU 13 -2.190 -8.795 -15.723 252 HG2 GLU 13 1HG GLU 13 -1.441 -8.661 -18.123 253 HG3 GLU 13 2HG GLU 13 -0.880 -10.338 -17.987 254 HE2 GLU 13 HE2 GLU 13 -4.162 -10.147 -19.428 255 H ALA 14 H ALA 14 -1.102 -6.691 -14.742 256 HA ALA 14 HA ALA 14 -0.783 -5.044 -17.059 257 HB1 ALA 14 3HB ALA 14 -1.467 -3.233 -15.605 258 HB2 ALA 14 1HB ALA 14 -2.424 -4.645 -15.206 259 HB3 ALA 14 2HB ALA 14 -1.072 -4.186 -14.161 260 H LEU 15 H LEU 15 1.252 -5.665 -14.250 261 HA LEU 15 HA LEU 15 3.211 -3.630 -14.712 262 HB2 LEU 15 1HB LEU 15 2.776 -5.711 -12.899 263 HB3 LEU 15 2HB LEU 15 4.204 -6.276 -13.772 264 HG LEU 15 HG LEU 15 4.019 -3.682 -12.276 265 HD11 LEU 15 1HD1 LEU 15 5.403 -6.258 -11.430 266 HD12 LEU 15 2HD1 LEU 15 3.985 -5.551 -10.707 267 HD13 LEU 15 3HD1 LEU 15 5.514 -4.675 -10.629 268 HD21 LEU 15 3HD2 LEU 15 6.422 -5.049 -13.556 269 HD22 LEU 15 1HD2 LEU 15 6.451 -3.602 -12.494 270 HD23 LEU 15 2HD2 LEU 15 5.656 -3.527 -14.041 271 H TYR 16 H TYR 16 2.905 -7.039 -15.851 272 HA TYR 16 HA TYR 16 5.339 -7.076 -17.365 273 HB2 TYR 16 1HB TYR 16 4.124 -9.131 -16.712 274 HB3 TYR 16 2HB TYR 16 2.739 -8.610 -17.645 275 HD1 TYR 16 HD1 TYR 16 6.321 -9.610 -17.988 276 HD2 TYR 16 HD2 TYR 16 2.551 -9.095 -19.977 277 HE1 TYR 16 HE1 TYR 16 7.211 -10.822 -19.989 278 HE2 TYR 16 HE2 TYR 16 3.456 -10.276 -21.984 279 HH TYR 16 HH TYR 16 6.831 -11.325 -22.266 280 H LEU 17 H LEU 17 1.995 -6.159 -18.197 281 HA LEU 17 HA LEU 17 2.548 -5.741 -20.977 282 HB2 LEU 17 1HB LEU 17 0.499 -4.595 -19.092 283 HB3 LEU 17 2HB LEU 17 0.553 -4.168 -20.814 284 HG LEU 17 HG LEU 17 0.310 -7.025 -19.859 285 HD11 LEU 17 1HD1 LEU 17 -1.562 -5.754 -18.964 286 HD12 LEU 17 2HD1 LEU 17 -2.092 -6.825 -20.281 287 HD13 LEU 17 3HD1 LEU 17 -1.905 -5.086 -20.585 288 HD21 LEU 17 3HD2 LEU 17 -0.249 -5.630 -22.485 289 HD22 LEU 17 1HD2 LEU 17 -0.647 -7.342 -22.131 290 HD23 LEU 17 2HD2 LEU 17 1.028 -6.785 -22.189 291 H VAL 18 H VAL 18 2.775 -3.438 -18.163 292 HA VAL 18 HA VAL 18 3.366 -1.240 -19.939 293 HB VAL 18 HB VAL 18 2.465 -1.020 -17.525 294 HG11 VAL 18 1HG1 VAL 18 4.269 -0.632 -15.765 295 HG12 VAL 18 2HG1 VAL 18 3.997 -2.320 -16.229 296 HG13 VAL 18 3HG1 VAL 18 5.378 -1.442 -16.865 297 HG21 VAL 18 3HG2 VAL 18 4.822 0.665 -18.369 298 HG22 VAL 18 1HG2 VAL 18 3.127 0.879 -18.866 299 HG23 VAL 18 2HG2 VAL 18 3.582 1.100 -17.180 300 H CYS 19 H CYS 19 5.367 -3.718 -18.333 301 HA CYS 19 HA CYS 19 7.856 -2.251 -18.870 302 HB2 CYS 19 1HB CYS 19 7.076 -4.684 -17.485 303 HB3 CYS 19 2HB CYS 19 8.457 -5.009 -18.554 304 H GLY 20 H GLY 20 5.911 -4.777 -20.459 305 HA2 GLY 20 1HA GLY 20 5.993 -4.703 -22.932 306 HA3 GLY 20 2HA GLY 20 7.743 -4.554 -22.818 307 H GLU 21 H GLU 21 6.964 -6.465 -24.371 308 HA GLU 21 HA GLU 21 6.263 -8.975 -23.230 309 HB2 GLU 21 1HB GLU 21 7.746 -8.309 -25.799 310 HB3 GLU 21 2HB GLU 21 6.976 -9.884 -25.421 311 HG2 GLU 21 1HG GLU 21 4.777 -8.869 -25.335 312 HG3 GLU 21 2HG GLU 21 5.472 -7.247 -25.553 313 HE2 GLU 21 HE2 GLU 21 4.532 -9.320 -28.616 314 H ARG 22 H ARG 22 9.361 -7.402 -23.155 315 HA ARG 22 HA ARG 22 10.827 -9.887 -22.831 316 HB2 ARG 22 1HB ARG 22 12.775 -8.618 -22.607 317 HB3 ARG 22 2HB ARG 22 11.795 -7.727 -23.789 318 HG2 ARG 22 1HG ARG 22 12.148 -6.977 -20.850 319 HG3 ARG 22 2HG ARG 22 13.000 -6.245 -22.188 320 HD2 ARG 22 1HD ARG 22 10.525 -5.766 -23.056 321 HD3 ARG 22 2HD ARG 22 10.148 -5.871 -21.368 322 HE ARG 22 HE ARG 22 11.573 -3.757 -22.752 323 HH11 ARG 22 1HH1 ARG 22 11.108 -5.174 -19.519 324 HH12 ARG 22 2HH1 ARG 22 11.644 -3.717 -18.785 325 HH21 ARG 22 1HH2 ARG 22 12.217 -2.010 -21.708 326 HH22 ARG 22 2HH2 ARG 22 12.247 -1.975 -19.990 327 H GLY 23 H GLY 23 8.784 -8.098 -20.820 328 HA2 GLY 23 1HA GLY 23 8.167 -8.670 -18.633 329 HA3 GLY 23 2HA GLY 23 9.615 -9.701 -18.477 330 H PHE 24 H PHE 24 9.267 -8.370 -16.291 331 HA PHE 24 HA PHE 24 10.701 -5.755 -16.473 332 HB2 PHE 24 1HB PHE 24 10.207 -6.109 -13.816 333 HB3 PHE 24 2HB PHE 24 9.065 -5.357 -14.954 334 HD1 PHE 24 HD2 PHE 24 9.892 -8.411 -13.051 335 HD2 PHE 24 HD1 PHE 24 6.967 -6.432 -15.559 336 HE1 PHE 24 HE2 PHE 24 8.166 -10.084 -12.399 337 HE2 PHE 24 HE1 PHE 24 5.281 -8.167 -14.931 338 HZ PHE 24 HZ PHE 24 5.884 -9.986 -13.332 339 H PHE 25 H PHE 25 10.887 -9.002 -15.144 340 HA PHE 25 HA PHE 25 13.793 -8.877 -15.136 341 HB2 PHE 25 1HB PHE 25 12.447 -8.250 -12.758 342 HB3 PHE 25 2HB PHE 25 12.815 -9.938 -12.567 343 HD1 PHE 25 HD2 PHE 25 14.322 -6.628 -13.162 344 HD2 PHE 25 HD1 PHE 25 15.026 -10.748 -12.243 345 HE1 PHE 25 HE2 PHE 25 16.720 -6.068 -12.593 346 HE2 PHE 25 HE1 PHE 25 17.395 -10.228 -11.661 347 HZ PHE 25 HZ PHE 25 18.253 -7.897 -11.833 348 H TYR 26 H TYR 26 14.657 -11.050 -14.812 349 HA TYR 26 HA TYR 26 13.113 -13.101 -16.131 350 HB2 TYR 26 1HB TYR 26 15.535 -13.038 -16.356 351 HB3 TYR 26 2HB TYR 26 15.721 -13.168 -14.612 352 HD1 TYR 26 HD2 TYR 26 14.500 -15.075 -17.631 353 HD2 TYR 26 HD1 TYR 26 15.813 -15.315 -13.548 354 HE1 TYR 26 HE2 TYR 26 14.564 -17.559 -17.794 355 HE2 TYR 26 HE1 TYR 26 15.915 -17.808 -13.712 356 HH TYR 26 HH TYR 26 15.020 -19.524 -16.726 357 H THR 27 H THR 27 14.279 -12.612 -12.754 358 HA THR 27 HA THR 27 12.518 -14.779 -11.800 359 HB THR 27 HB THR 27 13.320 -13.480 -9.583 360 HG1 THR 27 HG1 THR 27 15.027 -12.264 -9.966 361 HG21 THR 27 1HG2 THR 27 15.244 -14.992 -9.506 362 HG22 THR 27 2HG2 THR 27 15.089 -15.344 -11.237 363 HG23 THR 27 3HG2 THR 27 13.794 -15.831 -10.127 364 H LYS 28 H LYS 28 10.418 -14.246 -12.102 365 HA LYS 28 HA LYS 28 9.424 -11.552 -11.677 366 HB2 LYS 28 1HB LYS 28 8.004 -14.202 -12.161 367 HB3 LYS 28 2HB LYS 28 7.195 -12.577 -12.172 368 HG2 LYS 28 1HG LYS 28 8.626 -11.930 -14.065 369 HG3 LYS 28 2HG LYS 28 9.335 -13.538 -14.109 370 HD2 LYS 28 1HD LYS 28 7.153 -14.529 -14.580 371 HD3 LYS 28 2HD LYS 28 6.355 -12.969 -14.355 372 HE2 LYS 28 1HE LYS 28 7.592 -12.044 -16.274 373 HE3 LYS 28 2HE LYS 28 8.472 -13.569 -16.485 374 HZ1 LYS 28 3HZ LYS 28 5.547 -13.197 -16.814 375 HZ2 LYS 28 1HZ LYS 28 6.361 -14.613 -16.999 376 HZ3 LYS 28 2HZ LYS 28 6.630 -13.380 -18.049 377 HA PRO 29 HA PRO 29 8.562 -12.733 -7.398 378 HB2 PRO 29 1HB PRO 29 8.068 -10.295 -6.310 379 HB3 PRO 29 2HB PRO 29 9.715 -10.806 -6.789 380 HG2 PRO 29 1HG PRO 29 7.780 -9.082 -8.281 381 HG3 PRO 29 2HG PRO 29 9.490 -8.777 -7.952 382 HD2 PRO 29 1HD PRO 29 8.588 -9.861 -10.325 383 HD3 PRO 29 2HD PRO 29 10.203 -10.242 -9.611 384 H THR 30 H THR 30 6.568 -13.866 -8.211 385 HA THR 30 HA THR 30 4.122 -12.237 -8.415 386 HB THR 30 HB THR 30 3.034 -14.554 -8.598 387 HG1 THR 30 HG1 THR 30 4.618 -16.238 -9.097 388 HG21 THR 30 1HG2 THR 30 4.019 -14.984 -10.871 389 HG22 THR 30 2HG2 THR 30 5.368 -13.883 -10.521 390 HG23 THR 30 3HG2 THR 30 3.743 -13.245 -10.656 391 HXT THR 30 H02 THR 30 5.435 -14.261 -6.208 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 3.159 -2.571 -1.171 2 H2 GLY 1 2H GLY 1 4.538 -1.855 -0.979 3 HA2 GLY 1 1HA GLY 1 2.417 -0.430 -0.647 4 HA3 GLY 1 2HA GLY 1 3.815 0.259 -1.507 5 H ILE 2 H ILE 2 3.327 -1.495 -3.783 6 HA ILE 2 HA ILE 2 1.807 0.354 -5.436 7 HB ILE 2 HB ILE 2 2.145 -2.519 -6.331 8 HG12 ILE 2 1HG1 ILE 2 4.297 -0.400 -6.161 9 HG13 ILE 2 2HG1 ILE 2 4.264 -1.882 -5.251 10 HG21 ILE 2 1HG2 ILE 2 2.658 0.074 -7.883 11 HG22 ILE 2 2HG2 ILE 2 2.229 -1.546 -8.538 12 HG23 ILE 2 3HG2 ILE 2 1.008 -0.528 -7.705 13 HD11 ILE 2 3HD1 ILE 2 4.442 -1.767 -8.314 14 HD12 ILE 2 1HD1 ILE 2 5.858 -1.924 -7.206 15 HD13 ILE 2 2HD1 ILE 2 4.615 -3.212 -7.282 16 H VAL 3 H VAL 3 0.934 -2.770 -3.851 17 HA VAL 3 HA VAL 3 -1.699 -2.836 -4.987 18 HB VAL 3 HB VAL 3 -0.391 -4.808 -4.098 19 HG11 VAL 3 1HG1 VAL 3 -0.413 -5.337 -1.731 20 HG12 VAL 3 2HG1 VAL 3 0.323 -3.721 -1.956 21 HG13 VAL 3 3HG1 VAL 3 -1.369 -3.877 -1.358 22 HG21 VAL 3 3HG2 VAL 3 -2.284 -6.043 -3.272 23 HG22 VAL 3 1HG2 VAL 3 -3.176 -4.545 -3.035 24 HG23 VAL 3 2HG2 VAL 3 -2.723 -5.031 -4.678 25 H GLU 4 H GLU 4 -0.346 -1.353 -2.059 26 HA GLU 4 HA GLU 4 -2.849 -0.951 -0.754 27 HB2 GLU 4 1HB GLU 4 -0.260 0.663 -0.547 28 HB3 GLU 4 2HB GLU 4 -1.626 0.785 0.531 29 HG2 GLU 4 1HG GLU 4 -1.324 -1.343 1.473 30 HG3 GLU 4 2HG GLU 4 -0.116 -1.778 0.231 31 HE2 GLU 4 HE2 GLU 4 -0.755 0.013 2.980 32 H GLN 5 H GLN 5 -0.730 0.990 -2.965 33 HA GLN 5 HA GLN 5 -2.486 3.302 -3.059 34 HB2 GLN 5 1HB GLN 5 -0.446 2.155 -5.002 35 HB3 GLN 5 2HB GLN 5 -1.191 3.725 -5.210 36 HG2 GLN 5 1HG GLN 5 0.581 2.970 -2.897 37 HG3 GLN 5 2HG GLN 5 1.056 3.882 -4.325 38 HE21 GLN 5 2HE2 GLN 5 0.742 4.260 -1.277 39 HE22 GLN 5 1HE2 GLN 5 -0.144 5.731 -1.095 40 H CYS 6 H CYS 6 -2.208 0.456 -5.236 41 HA CYS 6 HA CYS 6 -3.942 1.615 -7.141 42 HB2 CYS 6 1HB CYS 6 -2.178 -0.436 -7.157 43 HB3 CYS 6 2HB CYS 6 -3.678 -1.354 -7.078 44 H CYS 7 H CYS 7 -4.683 -0.405 -4.342 45 HA CYS 7 HA CYS 7 -7.371 -1.136 -5.210 46 HB2 CYS 7 1HB CYS 7 -5.732 -1.430 -2.773 47 HB3 CYS 7 2HB CYS 7 -7.470 -1.301 -2.515 48 H THR 8 H THR 8 -6.028 1.861 -4.107 49 HA THR 8 HA THR 8 -8.784 2.770 -3.359 50 HB THR 8 HB THR 8 -7.244 2.626 -1.391 51 HG1 THR 8 HG1 THR 8 -7.778 5.370 -1.932 52 HG21 THR 8 1HG2 THR 8 -5.567 4.538 -1.140 53 HG22 THR 8 2HG2 THR 8 -5.667 4.759 -2.879 54 HG23 THR 8 3HG2 THR 8 -5.046 3.248 -2.277 55 H SER 9 H SER 9 -5.948 3.352 -5.306 56 HA SER 9 HA SER 9 -7.364 5.797 -6.342 57 HB2 SER 9 1HB SER 9 -5.269 6.770 -6.858 58 HB3 SER 9 2HB SER 9 -5.314 6.275 -5.137 59 HG SER 9 HG SER 9 -3.972 4.524 -5.704 60 H ILE 10 H ILE 10 -6.812 6.251 -8.736 61 HA ILE 10 HA ILE 10 -7.044 3.711 -10.244 62 HB ILE 10 HB ILE 10 -7.091 6.659 -10.974 63 HG12 ILE 10 1HG1 ILE 10 -9.394 5.464 -11.976 64 HG13 ILE 10 2HG1 ILE 10 -9.113 4.470 -10.552 65 HG21 ILE 10 1HG2 ILE 10 -7.033 4.250 -12.871 66 HG22 ILE 10 2HG2 ILE 10 -7.622 5.862 -13.389 67 HG23 ILE 10 3HG2 ILE 10 -5.944 5.659 -12.827 68 HD11 ILE 10 3HD1 ILE 10 -10.726 6.337 -10.131 69 HD12 ILE 10 1HD1 ILE 10 -9.318 6.455 -9.067 70 HD13 ILE 10 2HD1 ILE 10 -9.421 7.532 -10.480 71 H CYS 11 H CYS 11 -5.453 2.737 -11.196 72 HA CYS 11 HA CYS 11 -2.692 3.928 -11.191 73 HB2 CYS 11 1HB CYS 11 -3.762 1.127 -11.595 74 HB3 CYS 11 2HB CYS 11 -2.032 1.626 -11.802 75 H SER 12 H SER 12 -1.520 3.952 -13.228 76 HA SER 12 HA SER 12 -3.159 3.512 -15.659 77 HB2 SER 12 1HB SER 12 -1.677 6.051 -14.958 78 HB3 SER 12 2HB SER 12 -2.361 5.702 -16.576 79 HG SER 12 HG SER 12 -3.643 6.944 -14.713 80 H LEU 13 H LEU 13 -1.767 3.282 -17.575 81 HA LEU 13 HA LEU 13 0.550 1.770 -16.856 82 HB2 LEU 13 1HB LEU 13 0.130 3.346 -19.317 83 HB3 LEU 13 2HB LEU 13 1.192 2.009 -19.215 84 HG LEU 13 HG LEU 13 -1.870 1.836 -18.797 85 HD11 LEU 13 1HD1 LEU 13 -1.265 2.243 -21.194 86 HD12 LEU 13 2HD1 LEU 13 -1.768 0.562 -20.988 87 HD13 LEU 13 3HD1 LEU 13 -0.034 0.918 -21.143 88 HD21 LEU 13 3HD2 LEU 13 0.273 -0.396 -18.777 89 HD22 LEU 13 1HD2 LEU 13 -1.433 -0.667 -18.886 90 HD23 LEU 13 2HD2 LEU 13 -0.782 0.091 -17.478 91 H TYR 14 H TYR 14 0.320 5.324 -17.355 92 HA TYR 14 HA TYR 14 3.145 5.807 -17.482 93 HB2 TYR 14 1HB TYR 14 1.408 7.610 -18.104 94 HB3 TYR 14 2HB TYR 14 1.107 7.724 -16.403 95 HD1 TYR 14 HD2 TYR 14 3.894 7.998 -18.811 96 HD2 TYR 14 HD1 TYR 14 2.432 8.991 -14.985 97 HE1 TYR 14 HE2 TYR 14 6.081 8.917 -17.891 98 HE2 TYR 14 HE1 TYR 14 4.195 10.572 -14.660 99 HH TYR 14 HH TYR 14 6.868 11.084 -16.687 100 H GLN 15 H GLN 15 0.978 5.645 -14.697 101 HA GLN 15 HA GLN 15 2.962 6.176 -12.689 102 HB2 GLN 15 1HB GLN 15 0.431 4.471 -12.611 103 HB3 GLN 15 2HB GLN 15 1.445 4.828 -11.172 104 HG2 GLN 15 1HG GLN 15 0.905 7.261 -11.473 105 HG3 GLN 15 2HG GLN 15 -0.049 6.932 -12.916 106 HE21 GLN 15 2HE2 GLN 15 -2.090 7.323 -12.265 107 HE22 GLN 15 1HE2 GLN 15 -2.863 6.558 -10.917 108 H LEU 16 H LEU 16 1.703 3.142 -14.145 109 HA LEU 16 HA LEU 16 3.227 1.493 -12.513 110 HB2 LEU 16 1HB LEU 16 2.133 1.091 -15.312 111 HB3 LEU 16 2HB LEU 16 2.941 -0.169 -14.413 112 HG LEU 16 HG LEU 16 0.323 1.215 -13.646 113 HD11 LEU 16 1HD1 LEU 16 0.828 -1.686 -14.381 114 HD12 LEU 16 2HD1 LEU 16 0.379 -0.444 -15.581 115 HD13 LEU 16 3HD1 LEU 16 -0.732 -0.804 -14.252 116 HD21 LEU 16 3HD2 LEU 16 1.753 -1.077 -12.198 117 HD22 LEU 16 1HD2 LEU 16 0.173 -0.367 -11.816 118 HD23 LEU 16 2HD2 LEU 16 1.635 0.605 -11.644 119 H GLU 17 H GLU 17 4.197 3.193 -15.415 120 HA GLU 17 HA GLU 17 6.639 1.767 -15.857 121 HB2 GLU 17 1HB GLU 17 5.919 4.678 -16.261 122 HB3 GLU 17 2HB GLU 17 7.480 4.041 -16.700 123 HG2 GLU 17 1HG GLU 17 6.560 2.553 -18.320 124 HG3 GLU 17 2HG GLU 17 4.875 2.975 -17.839 125 HE2 GLU 17 HE2 GLU 17 7.155 3.506 -19.927 126 H ASN 18 H ASN 18 5.874 4.097 -13.295 127 HA ASN 18 HA ASN 18 8.641 4.607 -12.584 128 HB2 ASN 18 1HB ASN 18 6.123 4.755 -10.922 129 HB3 ASN 18 2HB ASN 18 7.741 5.411 -10.452 130 HD21 ASN 18 2HD2 ASN 18 5.103 6.703 -10.842 131 HD22 ASN 18 1HD2 ASN 18 5.432 7.926 -12.008 132 H TYR 19 H TYR 19 6.518 1.864 -12.084 133 HA TYR 19 HA TYR 19 8.321 0.844 -9.916 134 HB2 TYR 19 1HB TYR 19 5.752 -0.318 -11.103 135 HB3 TYR 19 2HB TYR 19 6.673 -0.952 -9.713 136 HD1 TYR 19 HD1 TYR 19 6.916 0.524 -7.578 137 HD2 TYR 19 HD2 TYR 19 4.314 1.588 -10.891 138 HE1 TYR 19 HE1 TYR 19 5.620 2.099 -6.067 139 HE2 TYR 19 HE2 TYR 19 3.109 3.205 -9.337 140 HH TYR 19 HH TYR 19 2.941 4.054 -7.187 141 H CYS 20 H CYS 20 8.142 1.049 -13.318 142 HA CYS 20 HA CYS 20 9.057 -1.730 -13.855 143 HB2 CYS 20 1HB CYS 20 7.652 -0.630 -15.431 144 HB3 CYS 20 2HB CYS 20 8.788 0.758 -15.597 145 H ASN 21 H ASN 21 10.299 1.225 -12.921 146 HA ASN 21 HA ASN 21 12.832 1.451 -14.092 147 HB2 ASN 21 1HB ASN 21 11.424 3.194 -12.710 148 HB3 ASN 21 2HB ASN 21 12.089 2.506 -11.251 149 HD21 ASN 21 2HD2 ASN 21 12.418 5.041 -13.369 150 HD22 ASN 21 1HD2 ASN 21 14.160 5.215 -13.214 151 HXT ASN 21 H02 ASN 21 12.105 -0.346 -11.400 152 H1 PHE 1 1H PHE 1 -6.557 0.700 -23.519 153 H2 PHE 1 2H PHE 1 -7.825 -0.305 -23.552 154 HA PHE 1 HA PHE 1 -7.096 -1.491 -21.555 155 HB2 PHE 1 1HB PHE 1 -4.750 -1.375 -22.452 156 HB3 PHE 1 2HB PHE 1 -4.603 0.339 -21.884 157 HD1 PHE 1 HD2 PHE 1 -4.764 0.697 -19.350 158 HD2 PHE 1 HD1 PHE 1 -4.494 -3.232 -21.099 159 HE1 PHE 1 HE2 PHE 1 -4.080 -0.199 -17.193 160 HE2 PHE 1 HE1 PHE 1 -3.879 -4.158 -18.914 161 HZ PHE 1 HZ PHE 1 -3.621 -2.650 -16.883 162 H VAL 2 H VAL 2 -8.718 -0.642 -20.446 163 HA VAL 2 HA VAL 2 -8.944 2.251 -19.979 164 HB VAL 2 HB VAL 2 -10.503 -0.134 -18.923 165 HG11 VAL 2 1HG1 VAL 2 -10.817 1.768 -17.358 166 HG12 VAL 2 2HG1 VAL 2 -11.021 2.909 -18.730 167 HG13 VAL 2 3HG1 VAL 2 -12.269 1.675 -18.423 168 HG21 VAL 2 3HG2 VAL 2 -10.710 0.280 -21.433 169 HG22 VAL 2 1HG2 VAL 2 -12.234 0.485 -20.593 170 HG23 VAL 2 2HG2 VAL 2 -11.278 1.924 -21.099 171 H ASN 3 H ASN 3 -7.873 3.307 -18.436 172 HA ASN 3 HA ASN 3 -6.441 1.800 -16.331 173 HB2 ASN 3 1HB ASN 3 -6.844 4.773 -16.804 174 HB3 ASN 3 2HB ASN 3 -5.729 4.104 -15.616 175 HD21 ASN 3 2HD2 ASN 3 -5.695 5.728 -18.287 176 HD22 ASN 3 1HD2 ASN 3 -4.382 4.947 -19.156 177 H GLN 4 H GLN 4 -7.270 1.436 -14.254 178 HA GLN 4 HA GLN 4 -9.285 3.190 -13.076 179 HB2 GLN 4 1HB GLN 4 -10.373 1.237 -14.677 180 HB3 GLN 4 2HB GLN 4 -10.082 0.255 -13.275 181 HG2 GLN 4 1HG GLN 4 -12.307 0.902 -13.002 182 HG3 GLN 4 2HG GLN 4 -11.453 2.159 -12.060 183 HE21 GLN 4 2HE2 GLN 4 -11.704 4.338 -12.594 184 HE22 GLN 4 1HE2 GLN 4 -12.613 4.817 -14.014 185 H HIS 5 H HIS 5 -10.070 1.060 -11.104 186 HA HIS 5 HA HIS 5 -7.584 1.197 -9.479 187 HB2 HIS 5 1HB HIS 5 -10.308 -0.144 -8.955 188 HB3 HIS 5 2HB HIS 5 -9.028 0.153 -7.769 189 HD1 HIS 5 HD1 HIS 5 -8.429 2.898 -7.495 190 HD2 HIS 5 HD2 HIS 5 -12.186 1.851 -8.993 191 HE1 HIS 5 HE1 HIS 5 -9.967 4.890 -7.117 192 HE2 HIS 5 H01 HIS 5 -12.167 4.288 -8.177 193 H LEU 6 H LEU 6 -6.343 0.007 -11.043 194 HA LEU 6 HA LEU 6 -6.991 -2.802 -11.650 195 HB2 LEU 6 1HB LEU 6 -4.449 -1.194 -12.017 196 HB3 LEU 6 2HB LEU 6 -4.809 -2.742 -12.749 197 HG LEU 6 HG LEU 6 -6.522 -0.327 -13.265 198 HD11 LEU 6 1HD1 LEU 6 -5.183 0.070 -15.280 199 HD12 LEU 6 2HD1 LEU 6 -3.972 -1.044 -14.591 200 HD13 LEU 6 3HD1 LEU 6 -4.416 0.462 -13.744 201 HD21 LEU 6 3HD2 LEU 6 -6.137 -2.916 -14.780 202 HD22 LEU 6 1HD2 LEU 6 -6.905 -1.470 -15.504 203 HD23 LEU 6 2HD2 LEU 6 -7.636 -2.253 -14.083 204 H CYS 7 H CYS 7 -7.226 -3.172 -9.268 205 HA CYS 7 HA CYS 7 -4.709 -3.763 -7.888 206 HB2 CYS 7 1HB CYS 7 -7.077 -2.819 -6.929 207 HB3 CYS 7 2HB CYS 7 -7.341 -4.554 -6.705 208 H AIB 8 H AIB 8 -5.330 -5.848 -6.457 209 HB11 AIB 8 1HB1 AIB 8 -7.710 -7.846 -7.118 210 HB12 AIB 8 3HB1 AIB 8 -7.013 -9.366 -7.710 211 HB13 AIB 8 1HB2 AIB 8 -7.231 -7.962 -8.760 212 HB21 AIB 8 3HB2 AIB 8 -4.946 -9.326 -5.951 213 HB22 AIB 8 2HB1 AIB 8 -6.103 -8.150 -5.288 214 HB23 AIB 8 2HB2 AIB 8 -4.371 -7.741 -5.536 215 H SER 9 H SER 9 -5.343 -10.100 -8.863 216 HA SER 9 HA SER 9 -2.546 -10.135 -9.205 217 HB2 SER 9 1HB SER 9 -3.573 -12.200 -9.280 218 HB3 SER 9 2HB SER 9 -4.801 -11.660 -10.461 219 HG SER 9 HG SER 9 -2.802 -12.934 -11.079 220 H HIS 10 H HIS 10 -5.169 -8.698 -10.953 221 HA HIS 10 HA HIS 10 -3.942 -8.335 -13.508 222 HB2 HIS 10 1HB HIS 10 -5.941 -6.635 -11.972 223 HB3 HIS 10 2HB HIS 10 -5.451 -6.310 -13.611 224 HD1 HIS 10 HD1 HIS 10 -5.574 -8.860 -15.160 225 HD2 HIS 10 HD2 HIS 10 -8.296 -8.057 -12.093 226 HE1 HIS 10 HE1 HIS 10 -7.579 -10.372 -15.543 227 HE2 HIS 10 H01 HIS 10 -9.228 -9.850 -13.640 228 H LEU 11 H LEU 11 -3.410 -6.670 -10.427 229 HA LEU 11 HA LEU 11 -2.147 -4.325 -11.484 230 HB2 LEU 11 1HB LEU 11 -2.698 -4.615 -9.051 231 HB3 LEU 11 2HB LEU 11 -1.523 -5.894 -8.977 232 HG LEU 11 HG LEU 11 0.325 -4.476 -9.293 233 HD11 LEU 11 1HD1 LEU 11 -0.294 -2.839 -10.851 234 HD12 LEU 11 2HD1 LEU 11 -0.057 -1.923 -9.374 235 HD13 LEU 11 3HD1 LEU 11 -1.704 -2.342 -9.919 236 HD21 LEU 11 3HD2 LEU 11 -0.043 -2.914 -7.278 237 HD22 LEU 11 1HD2 LEU 11 -0.361 -4.628 -7.003 238 HD23 LEU 11 2HD2 LEU 11 -1.711 -3.516 -7.278 239 H VAL 12 H VAL 12 -0.841 -7.482 -10.513 240 HA VAL 12 HA VAL 12 1.885 -6.848 -11.171 241 HB VAL 12 HB VAL 12 0.598 -9.579 -11.181 242 HG11 VAL 12 1HG1 VAL 12 3.449 -8.698 -10.696 243 HG12 VAL 12 2HG1 VAL 12 2.838 -10.353 -10.462 244 HG13 VAL 12 3HG1 VAL 12 2.834 -9.667 -12.090 245 HG21 VAL 12 3HG2 VAL 12 1.697 -8.053 -8.813 246 HG22 VAL 12 1HG2 VAL 12 0.005 -8.547 -9.081 247 HG23 VAL 12 2HG2 VAL 12 1.259 -9.767 -8.795 248 H GLU 13 H GLU 13 -0.783 -8.424 -12.884 249 HA GLU 13 HA GLU 13 0.566 -9.111 -15.266 250 HB2 GLU 13 1HB GLU 13 -1.755 -9.710 -14.492 251 HB3 GLU 13 2HB GLU 13 -2.273 -8.100 -14.963 252 HG2 GLU 13 1HG GLU 13 -1.591 -8.537 -17.282 253 HG3 GLU 13 2HG GLU 13 -1.090 -10.151 -16.767 254 HE2 GLU 13 HE2 GLU 13 -2.522 -11.116 -17.959 255 H ALA 14 H ALA 14 -1.122 -6.052 -14.418 256 HA ALA 14 HA ALA 14 -0.808 -4.888 -17.024 257 HB1 ALA 14 3HB ALA 14 -1.227 -3.617 -14.271 258 HB2 ALA 14 1HB ALA 14 -1.424 -2.796 -15.805 259 HB3 ALA 14 2HB ALA 14 -2.496 -4.134 -15.402 260 H LEU 15 H LEU 15 1.135 -4.895 -14.016 261 HA LEU 15 HA LEU 15 3.060 -3.011 -15.013 262 HB2 LEU 15 1HB LEU 15 2.810 -3.530 -12.607 263 HB3 LEU 15 2HB LEU 15 3.444 -5.149 -12.893 264 HG LEU 15 HG LEU 15 5.643 -4.266 -13.434 265 HD11 LEU 15 1HD1 LEU 15 6.220 -1.933 -13.095 266 HD12 LEU 15 2HD1 LEU 15 4.474 -1.515 -12.952 267 HD13 LEU 15 3HD1 LEU 15 5.127 -2.141 -14.472 268 HD21 LEU 15 3HD2 LEU 15 6.042 -3.324 -11.168 269 HD22 LEU 15 1HD2 LEU 15 5.043 -4.780 -11.172 270 HD23 LEU 15 2HD2 LEU 15 4.333 -3.168 -10.953 271 H TYR 16 H TYR 16 2.925 -6.567 -15.014 272 HA TYR 16 HA TYR 16 5.482 -7.009 -16.202 273 HB2 TYR 16 1HB TYR 16 3.873 -8.649 -15.071 274 HB3 TYR 16 2HB TYR 16 2.979 -8.688 -16.598 275 HD1 TYR 16 HD1 TYR 16 6.505 -9.159 -15.175 276 HD2 TYR 16 HD2 TYR 16 3.632 -10.301 -18.197 277 HE1 TYR 16 HE1 TYR 16 8.101 -10.885 -16.057 278 HE2 TYR 16 HE2 TYR 16 5.186 -11.975 -19.063 279 HH TYR 16 HH TYR 16 8.478 -12.476 -17.769 280 H LEU 17 H LEU 17 2.266 -6.326 -17.633 281 HA LEU 17 HA LEU 17 3.052 -6.812 -20.338 282 HB2 LEU 17 1HB LEU 17 0.755 -5.229 -19.115 283 HB3 LEU 17 2HB LEU 17 1.102 -5.241 -20.842 284 HG LEU 17 HG LEU 17 0.575 -7.787 -19.328 285 HD11 LEU 17 1HD1 LEU 17 -1.487 -5.979 -20.574 286 HD12 LEU 17 2HD1 LEU 17 -1.376 -6.568 -18.908 287 HD13 LEU 17 3HD1 LEU 17 -1.743 -7.727 -20.210 288 HD21 LEU 17 3HD2 LEU 17 0.044 -8.667 -21.548 289 HD22 LEU 17 1HD2 LEU 17 1.705 -8.025 -21.447 290 HD23 LEU 17 2HD2 LEU 17 0.424 -7.069 -22.282 291 H VAL 18 H VAL 18 2.828 -3.746 -18.372 292 HA VAL 18 HA VAL 18 3.698 -2.236 -20.685 293 HB VAL 18 HB VAL 18 2.431 -1.310 -18.721 294 HG11 VAL 18 1HG1 VAL 18 3.613 -2.068 -16.788 295 HG12 VAL 18 2HG1 VAL 18 5.145 -1.355 -17.300 296 HG13 VAL 18 3HG1 VAL 18 3.807 -0.324 -16.819 297 HG21 VAL 18 3HG2 VAL 18 3.365 0.116 -20.450 298 HG22 VAL 18 1HG2 VAL 18 3.312 0.890 -18.857 299 HG23 VAL 18 2HG2 VAL 18 4.881 0.289 -19.488 300 H CYS 19 H CYS 19 5.560 -3.817 -18.077 301 HA CYS 19 HA CYS 19 8.058 -2.462 -18.838 302 HB2 CYS 19 1HB CYS 19 7.110 -3.229 -16.465 303 HB3 CYS 19 2HB CYS 19 7.826 -4.804 -16.883 304 H GLY 20 H GLY 20 6.286 -5.326 -19.613 305 HA2 GLY 20 1HA GLY 20 6.716 -6.664 -21.523 306 HA3 GLY 20 2HA GLY 20 8.402 -6.068 -21.560 307 H GLU 21 H GLU 21 7.826 -8.681 -21.933 308 HA GLU 21 HA GLU 21 7.841 -10.258 -19.549 309 HB2 GLU 21 1HB GLU 21 8.950 -10.876 -22.340 310 HB3 GLU 21 2HB GLU 21 8.593 -12.053 -21.081 311 HG2 GLU 21 1HG GLU 21 6.190 -11.335 -21.234 312 HG3 GLU 21 2HG GLU 21 6.560 -10.278 -22.548 313 HE2 GLU 21 HE2 GLU 21 5.452 -13.240 -24.068 314 H ARG 22 H ARG 22 10.268 -8.290 -21.071 315 HA ARG 22 HA ARG 22 12.459 -9.787 -19.665 316 HB2 ARG 22 1HB ARG 22 12.428 -7.802 -21.994 317 HB3 ARG 22 2HB ARG 22 13.909 -8.246 -21.108 318 HG2 ARG 22 1HG ARG 22 14.161 -9.733 -22.759 319 HG3 ARG 22 2HG ARG 22 13.210 -10.711 -21.622 320 HD2 ARG 22 1HD ARG 22 12.096 -11.120 -23.665 321 HD3 ARG 22 2HD ARG 22 11.164 -9.776 -22.959 322 HE ARG 22 HE ARG 22 13.109 -8.536 -24.516 323 HH11 ARG 22 1HH1 ARG 22 10.517 -10.852 -25.153 324 HH12 ARG 22 2HH1 ARG 22 10.291 -10.332 -26.774 325 HH21 ARG 22 1HH2 ARG 22 12.793 -7.901 -26.633 326 HH22 ARG 22 2HH2 ARG 22 11.597 -8.659 -27.619 327 H GLY 23 H GLY 23 10.258 -7.859 -18.730 328 HA2 GLY 23 1HA GLY 23 11.540 -5.375 -17.961 329 HA3 GLY 23 2HA GLY 23 9.942 -5.989 -17.452 330 H PHE 24 H PHE 24 10.195 -5.144 -15.419 331 HA PHE 24 HA PHE 24 12.370 -5.737 -13.638 332 HB2 PHE 24 1HB PHE 24 11.097 -4.652 -12.082 333 HB3 PHE 24 2HB PHE 24 10.133 -4.181 -13.477 334 HD1 PHE 24 HD1 PHE 24 8.128 -5.704 -14.100 335 HD2 PHE 24 HD2 PHE 24 10.089 -5.751 -10.264 336 HE1 PHE 24 HE1 PHE 24 6.091 -6.816 -13.044 337 HE2 PHE 24 HE2 PHE 24 8.058 -6.895 -9.283 338 HZ PHE 24 HZ PHE 24 6.113 -7.454 -10.666 339 H PHE 25 H PHE 25 12.280 -7.230 -11.677 340 HA PHE 25 HA PHE 25 10.622 -9.670 -12.077 341 HB2 PHE 25 1HB PHE 25 13.556 -9.516 -11.261 342 HB3 PHE 25 2HB PHE 25 12.580 -10.967 -11.056 343 HD1 PHE 25 HD2 PHE 25 11.838 -12.234 -12.974 344 HD2 PHE 25 HD1 PHE 25 14.286 -8.755 -13.411 345 HE1 PHE 25 HE2 PHE 25 12.186 -12.885 -15.350 346 HE2 PHE 25 HE1 PHE 25 14.620 -9.311 -15.808 347 HZ PHE 25 HZ PHE 25 13.641 -11.406 -16.796 348 H TYR 26 H TYR 26 10.070 -10.733 -10.041 349 HA TYR 26 HA TYR 26 10.543 -9.019 -7.615 350 HB2 TYR 26 1HB TYR 26 8.174 -9.347 -8.657 351 HB3 TYR 26 2HB TYR 26 8.221 -10.894 -7.819 352 HD1 TYR 26 HD2 TYR 26 9.867 -9.477 -5.390 353 HD2 TYR 26 HD1 TYR 26 6.223 -8.638 -7.473 354 HE1 TYR 26 HE2 TYR 26 8.996 -8.360 -3.327 355 HE2 TYR 26 HE1 TYR 26 5.390 -7.487 -5.475 356 HH TYR 26 HH TYR 26 7.174 -7.075 -2.452 357 H THR 27 H THR 27 12.254 -11.153 -8.690 358 HA THR 27 HA THR 27 12.216 -12.997 -6.404 359 HB THR 27 HB THR 27 10.718 -14.161 -8.060 360 HG1 THR 27 HG1 THR 27 11.691 -15.702 -7.034 361 HG21 THR 27 1HG2 THR 27 11.767 -13.286 -10.227 362 HG22 THR 27 2HG2 THR 27 11.560 -15.038 -10.159 363 HG23 THR 27 3HG2 THR 27 13.136 -14.323 -9.878 364 H LYS 28 H LYS 28 14.318 -14.189 -6.330 365 HA LYS 28 HA LYS 28 16.478 -12.859 -7.895 366 HB2 LYS 28 1HB LYS 28 16.302 -13.435 -4.919 367 HB3 LYS 28 2HB LYS 28 17.858 -13.304 -5.772 368 HG2 LYS 28 1HG LYS 28 15.721 -11.054 -5.778 369 HG3 LYS 28 2HG LYS 28 17.127 -11.182 -4.654 370 HD2 LYS 28 1HD LYS 28 18.473 -11.383 -7.042 371 HD3 LYS 28 2HD LYS 28 16.971 -10.643 -7.649 372 HE2 LYS 28 1HE LYS 28 18.694 -9.001 -7.198 373 HE3 LYS 28 2HE LYS 28 17.203 -8.695 -6.300 374 HZ1 LYS 28 3HZ LYS 28 19.305 -8.353 -5.009 375 HZ2 LYS 28 1HZ LYS 28 19.700 -9.923 -5.144 376 HZ3 LYS 28 2HZ LYS 28 18.387 -9.507 -4.256 377 HA PRO 29 HA PRO 29 17.196 -17.318 -8.373 378 HB2 PRO 29 1HB PRO 29 18.075 -17.176 -10.992 379 HB3 PRO 29 2HB PRO 29 16.316 -17.269 -10.502 380 HG2 PRO 29 1HG PRO 29 17.985 -14.840 -11.199 381 HG3 PRO 29 2HG PRO 29 16.370 -15.306 -11.819 382 HD2 PRO 29 1HD PRO 29 16.694 -13.509 -9.892 383 HD3 PRO 29 2HD PRO 29 15.284 -14.673 -9.853 384 H THR 30 H THR 30 18.988 -17.399 -6.967 385 HA THR 30 HA THR 30 21.385 -15.754 -7.738 386 HB THR 30 HB THR 30 21.048 -15.683 -5.356 387 HG1 THR 30 HG1 THR 30 23.155 -16.126 -5.663 388 HG21 THR 30 1HG2 THR 30 19.430 -17.811 -5.317 389 HG22 THR 30 2HG2 THR 30 20.601 -17.757 -4.003 390 HG23 THR 30 3HG2 THR 30 20.898 -18.812 -5.328 391 HXT THR 30 H02 THR 30 22.593 -16.406 -9.003 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 3.514 -0.866 0.259 2 H2 GLY 1 2H GLY 1 1.939 -1.208 -0.074 3 HA2 GLY 1 1HA GLY 1 2.239 1.115 -0.611 4 HA3 GLY 1 2HA GLY 1 3.819 0.768 -1.384 5 H ILE 2 H ILE 2 3.157 -1.280 -3.108 6 HA ILE 2 HA ILE 2 2.217 0.166 -5.406 7 HB ILE 2 HB ILE 2 2.012 -2.843 -5.497 8 HG12 ILE 2 1HG1 ILE 2 3.956 -2.633 -4.008 9 HG13 ILE 2 2HG1 ILE 2 4.336 -3.331 -5.559 10 HG21 ILE 2 1HG2 ILE 2 3.386 -0.738 -7.250 11 HG22 ILE 2 2HG2 ILE 2 3.331 -2.497 -7.637 12 HG23 ILE 2 3HG2 ILE 2 1.825 -1.533 -7.562 13 HD11 ILE 2 3HD1 ILE 2 6.110 -1.742 -4.724 14 HD12 ILE 2 1HD1 ILE 2 5.540 -1.390 -6.366 15 HD13 ILE 2 2HD1 ILE 2 4.952 -0.425 -4.981 16 H VAL 3 H VAL 3 0.719 -2.489 -3.562 17 HA VAL 3 HA VAL 3 -1.844 -2.284 -4.925 18 HB VAL 3 HB VAL 3 -1.077 -4.332 -3.764 19 HG11 VAL 3 1HG1 VAL 3 -0.824 -4.542 -1.445 20 HG12 VAL 3 2HG1 VAL 3 -0.060 -2.986 -1.810 21 HG13 VAL 3 3HG1 VAL 3 -1.702 -3.009 -1.135 22 HG21 VAL 3 3HG2 VAL 3 -3.612 -3.120 -2.543 23 HG22 VAL 3 1HG2 VAL 3 -3.507 -3.834 -4.186 24 HG23 VAL 3 2HG2 VAL 3 -3.280 -4.880 -2.728 25 H GLU 4 H GLU 4 -0.541 -0.668 -2.005 26 HA GLU 4 HA GLU 4 -3.021 0.322 -1.078 27 HB2 GLU 4 1HB GLU 4 -1.016 0.331 0.310 28 HB3 GLU 4 2HB GLU 4 -0.216 1.478 -0.757 29 HG2 GLU 4 1HG GLU 4 -1.928 3.188 -0.188 30 HG3 GLU 4 2HG GLU 4 -2.612 2.079 1.028 31 HE2 GLU 4 HE2 GLU 4 -2.080 2.660 2.736 32 H GLN 5 H GLN 5 -0.616 1.530 -3.426 33 HA GLN 5 HA GLN 5 -2.078 4.029 -3.894 34 HB2 GLN 5 1HB GLN 5 0.429 3.415 -4.382 35 HB3 GLN 5 2HB GLN 5 -0.247 2.855 -5.926 36 HG2 GLN 5 1HG GLN 5 0.562 5.199 -6.106 37 HG3 GLN 5 2HG GLN 5 -1.238 5.159 -6.217 38 HE21 GLN 5 2HE2 GLN 5 1.447 5.639 -3.872 39 HE22 GLN 5 1HE2 GLN 5 0.525 6.761 -2.894 40 H CYS 6 H CYS 6 -1.927 0.944 -5.726 41 HA CYS 6 HA CYS 6 -3.713 2.143 -7.733 42 HB2 CYS 6 1HB CYS 6 -1.999 -0.332 -7.567 43 HB3 CYS 6 2HB CYS 6 -3.329 -0.254 -8.765 44 H CYS 7 H CYS 7 -4.295 0.024 -5.029 45 HA CYS 7 HA CYS 7 -6.572 -1.184 -6.382 46 HB2 CYS 7 1HB CYS 7 -5.102 -2.349 -4.719 47 HB3 CYS 7 2HB CYS 7 -5.970 -1.447 -3.470 48 H THR 8 H THR 8 -5.940 1.655 -4.732 49 HA THR 8 HA THR 8 -8.813 2.144 -4.102 50 HB THR 8 HB THR 8 -7.190 2.662 -2.257 51 HG1 THR 8 HG1 THR 8 -8.220 4.479 -1.763 52 HG21 THR 8 1HG2 THR 8 -6.083 4.769 -4.210 53 HG22 THR 8 2HG2 THR 8 -5.217 3.363 -3.553 54 HG23 THR 8 3HG2 THR 8 -5.713 4.639 -2.465 55 H SER 9 H SER 9 -9.742 4.059 -5.068 56 HA SER 9 HA SER 9 -10.188 5.258 -6.976 57 HB2 SER 9 1HB SER 9 -7.294 5.967 -6.883 58 HB3 SER 9 2HB SER 9 -8.664 7.056 -7.338 59 HG SER 9 HG SER 9 -7.987 5.988 -4.751 60 H ILE 10 H ILE 10 -8.289 6.024 -9.150 61 HA ILE 10 HA ILE 10 -7.847 3.328 -10.371 62 HB ILE 10 HB ILE 10 -8.850 5.858 -11.819 63 HG12 ILE 10 1HG1 ILE 10 -10.623 4.869 -10.373 64 HG13 ILE 10 2HG1 ILE 10 -10.991 4.760 -12.085 65 HG21 ILE 10 1HG2 ILE 10 -9.108 4.394 -13.815 66 HG22 ILE 10 2HG2 ILE 10 -7.435 4.488 -13.278 67 HG23 ILE 10 3HG2 ILE 10 -8.380 3.037 -12.885 68 HD11 ILE 10 3HD1 ILE 10 -9.869 2.447 -10.478 69 HD12 ILE 10 1HD1 ILE 10 -11.570 2.696 -10.790 70 HD13 ILE 10 2HD1 ILE 10 -10.468 2.409 -12.132 71 H CYS 11 H CYS 11 -5.660 3.165 -10.569 72 HA CYS 11 HA CYS 11 -4.083 5.648 -10.906 73 HB2 CYS 11 1HB CYS 11 -2.150 4.261 -10.595 74 HB3 CYS 11 2HB CYS 11 -3.316 3.955 -9.271 75 H SER 12 H SER 12 -2.375 5.693 -12.526 76 HA SER 12 HA SER 12 -3.408 4.672 -15.108 77 HB2 SER 12 1HB SER 12 -1.548 6.891 -14.403 78 HB3 SER 12 2HB SER 12 -1.972 6.462 -16.056 79 HG SER 12 HG SER 12 -3.941 7.121 -14.111 80 H LEU 13 H LEU 13 -1.922 3.951 -16.835 81 HA LEU 13 HA LEU 13 0.053 2.042 -16.036 82 HB2 LEU 13 1HB LEU 13 -0.497 3.275 -18.742 83 HB3 LEU 13 2HB LEU 13 0.647 2.021 -18.493 84 HG LEU 13 HG LEU 13 -2.304 1.904 -17.721 85 HD11 LEU 13 1HD1 LEU 13 -2.689 0.473 -19.699 86 HD12 LEU 13 2HD1 LEU 13 -1.030 0.778 -20.194 87 HD13 LEU 13 3HD1 LEU 13 -2.211 2.157 -20.142 88 HD21 LEU 13 3HD2 LEU 13 -1.758 -0.698 -17.893 89 HD22 LEU 13 1HD2 LEU 13 -1.430 0.214 -16.364 90 HD23 LEU 13 2HD2 LEU 13 -0.138 -0.174 -17.517 91 H TYR 14 H TYR 14 0.362 5.575 -16.846 92 HA TYR 14 HA TYR 14 3.211 5.568 -17.145 93 HB2 TYR 14 1HB TYR 14 1.555 7.536 -17.643 94 HB3 TYR 14 2HB TYR 14 1.453 7.748 -15.874 95 HD1 TYR 14 HD1 TYR 14 3.834 7.596 -18.734 96 HD2 TYR 14 HD2 TYR 14 3.264 8.983 -14.726 97 HE1 TYR 14 HE1 TYR 14 5.876 8.775 -18.906 98 HE2 TYR 14 HE2 TYR 14 4.859 10.864 -15.539 99 HH TYR 14 HH TYR 14 7.609 9.657 -17.695 100 H GLN 15 H GLN 15 1.070 5.668 -14.362 101 HA GLN 15 HA GLN 15 3.265 6.011 -12.465 102 HB2 GLN 15 1HB GLN 15 0.473 4.966 -11.983 103 HB3 GLN 15 2HB GLN 15 1.638 5.355 -10.733 104 HG2 GLN 15 1HG GLN 15 1.521 7.694 -11.311 105 HG3 GLN 15 2HG GLN 15 0.447 7.316 -12.670 106 HE21 GLN 15 2HE2 GLN 15 0.677 7.918 -9.242 107 HE22 GLN 15 1HE2 GLN 15 -1.015 7.669 -8.876 108 H LEU 16 H LEU 16 1.433 3.201 -13.758 109 HA LEU 16 HA LEU 16 2.640 1.272 -12.082 110 HB2 LEU 16 1HB LEU 16 1.356 1.269 -14.738 111 HB3 LEU 16 2HB LEU 16 2.476 -0.079 -14.507 112 HG LEU 16 HG LEU 16 1.178 -0.368 -12.200 113 HD11 LEU 16 1HD1 LEU 16 -1.263 0.113 -12.453 114 HD12 LEU 16 2HD1 LEU 16 -1.014 0.822 -14.053 115 HD13 LEU 16 3HD1 LEU 16 -0.408 1.618 -12.602 116 HD21 LEU 16 3HD2 LEU 16 -0.319 -1.938 -13.331 117 HD22 LEU 16 1HD2 LEU 16 1.315 -2.050 -13.968 118 HD23 LEU 16 2HD2 LEU 16 0.057 -1.194 -14.901 119 H GLU 17 H GLU 17 3.994 2.744 -15.044 120 HA GLU 17 HA GLU 17 6.314 1.059 -15.184 121 HB2 GLU 17 1HB GLU 17 5.624 3.760 -16.295 122 HB3 GLU 17 2HB GLU 17 7.289 3.169 -16.311 123 HG2 GLU 17 1HG GLU 17 6.311 1.036 -17.319 124 HG3 GLU 17 2HG GLU 17 4.855 1.975 -17.598 125 HE2 GLU 17 HE2 GLU 17 8.114 2.436 -19.872 126 H ASN 18 H ASN 18 5.639 3.497 -12.827 127 HA ASN 18 HA ASN 18 8.372 4.206 -12.275 128 HB2 ASN 18 1HB ASN 18 5.989 4.171 -10.406 129 HB3 ASN 18 2HB ASN 18 7.534 4.989 -10.143 130 HD21 ASN 18 2HD2 ASN 18 5.239 6.380 -9.900 131 HD22 ASN 18 1HD2 ASN 18 5.113 7.502 -11.209 132 H TYR 19 H TYR 19 6.365 1.450 -11.518 133 HA TYR 19 HA TYR 19 8.169 0.645 -9.349 134 HB2 TYR 19 1HB TYR 19 5.865 -0.839 -10.666 135 HB3 TYR 19 2HB TYR 19 6.609 -1.283 -9.111 136 HD1 TYR 19 HD1 TYR 19 6.543 0.702 -7.342 137 HD2 TYR 19 HD2 TYR 19 3.887 0.382 -10.649 138 HE1 TYR 19 HE1 TYR 19 4.922 2.118 -6.116 139 HE2 TYR 19 HE2 TYR 19 2.281 1.897 -9.560 140 HH TYR 19 HH TYR 19 1.746 3.004 -7.485 141 H CYS 20 H CYS 20 8.747 0.874 -12.523 142 HA CYS 20 HA CYS 20 10.208 -1.775 -12.598 143 HB2 CYS 20 1HB CYS 20 7.882 -1.682 -13.827 144 HB3 CYS 20 2HB CYS 20 8.732 -0.726 -15.018 145 H ASN 21 H ASN 21 11.364 -1.712 -15.014 146 HA ASN 21 HA ASN 21 12.738 0.969 -15.165 147 HB2 ASN 21 1HB ASN 21 13.784 -1.799 -15.887 148 HB3 ASN 21 2HB ASN 21 14.544 -0.309 -16.433 149 HD21 ASN 21 2HD2 ASN 21 14.742 -2.604 -14.101 150 HD22 ASN 21 1HD2 ASN 21 15.576 -1.664 -12.950 151 HXT ASN 21 H02 ASN 21 11.176 1.660 -16.258 152 H1 PHE 1 1H PHE 1 -7.095 0.658 -23.763 153 H2 PHE 1 2H PHE 1 -5.560 0.682 -23.075 154 HA PHE 1 HA PHE 1 -7.806 -1.027 -22.197 155 HB2 PHE 1 1HB PHE 1 -4.940 -0.813 -21.137 156 HB3 PHE 1 2HB PHE 1 -6.261 -1.692 -20.367 157 HD1 PHE 1 HD1 PHE 1 -7.106 -3.786 -21.674 158 HD2 PHE 1 HD2 PHE 1 -3.704 -1.606 -22.818 159 HE1 PHE 1 HE1 PHE 1 -6.392 -5.773 -22.999 160 HE2 PHE 1 HE2 PHE 1 -2.922 -3.527 -24.182 161 HZ PHE 1 HZ PHE 1 -4.278 -5.642 -24.239 162 H VAL 2 H VAL 2 -9.238 -0.225 -20.857 163 HA VAL 2 HA VAL 2 -8.515 2.299 -19.355 164 HB VAL 2 HB VAL 2 -11.324 1.112 -19.879 165 HG11 VAL 2 1HG1 VAL 2 -10.996 2.467 -17.686 166 HG12 VAL 2 2HG1 VAL 2 -10.623 3.857 -18.741 167 HG13 VAL 2 3HG1 VAL 2 -12.244 3.100 -18.794 168 HG21 VAL 2 3HG2 VAL 2 -10.145 3.661 -20.980 169 HG22 VAL 2 1HG2 VAL 2 -10.193 2.132 -21.882 170 HG23 VAL 2 2HG2 VAL 2 -11.709 2.940 -21.379 171 H ASN 3 H ASN 3 -7.984 2.083 -17.277 172 HA ASN 3 HA ASN 3 -8.015 -0.645 -16.195 173 HB2 ASN 3 1HB ASN 3 -6.963 2.061 -15.464 174 HB3 ASN 3 2HB ASN 3 -7.134 0.920 -14.121 175 HD21 ASN 3 2HD2 ASN 3 -4.782 2.035 -15.628 176 HD22 ASN 3 1HD2 ASN 3 -3.840 0.603 -15.943 177 H GLN 4 H GLN 4 -8.758 -1.219 -14.094 178 HA GLN 4 HA GLN 4 -10.924 0.500 -12.939 179 HB2 GLN 4 1HB GLN 4 -11.144 -2.178 -14.011 180 HB3 GLN 4 2HB GLN 4 -11.310 -2.283 -12.272 181 HG2 GLN 4 1HG GLN 4 -13.487 -2.030 -13.304 182 HG3 GLN 4 2HG GLN 4 -13.130 -0.620 -12.297 183 HE21 GLN 4 2HE2 GLN 4 -12.161 -1.301 -15.656 184 HE22 GLN 4 1HE2 GLN 4 -12.910 0.125 -16.300 185 H HIS 5 H HIS 5 -11.174 -0.688 -10.522 186 HA HIS 5 HA HIS 5 -8.611 -0.301 -9.179 187 HB2 HIS 5 1HB HIS 5 -10.842 -2.143 -8.251 188 HB3 HIS 5 2HB HIS 5 -9.611 -1.302 -7.208 189 HD1 HIS 5 HD1 HIS 5 -9.816 1.515 -7.468 190 HD2 HIS 5 HD2 HIS 5 -13.162 -0.865 -8.416 191 HE1 HIS 5 HE1 HIS 5 -11.835 3.013 -7.308 192 HE2 HIS 5 H01 HIS 5 -13.843 1.597 -7.891 193 H LEU 6 H LEU 6 -7.033 -1.778 -8.507 194 HA LEU 6 HA LEU 6 -7.364 -4.614 -9.179 195 HB2 LEU 6 1HB LEU 6 -5.557 -4.766 -10.667 196 HB3 LEU 6 2HB LEU 6 -6.656 -3.571 -11.283 197 HG LEU 6 HG LEU 6 -3.930 -2.918 -10.181 198 HD11 LEU 6 1HD1 LEU 6 -4.046 -4.196 -12.306 199 HD12 LEU 6 2HD1 LEU 6 -3.458 -2.539 -12.525 200 HD13 LEU 6 3HD1 LEU 6 -5.120 -2.941 -12.961 201 HD21 LEU 6 3HD2 LEU 6 -4.310 -0.669 -11.192 202 HD22 LEU 6 1HD2 LEU 6 -5.398 -0.950 -9.831 203 HD23 LEU 6 2HD2 LEU 6 -6.002 -1.086 -11.511 204 H CYS 7 H CYS 7 -6.402 -5.838 -7.806 205 HA CYS 7 HA CYS 7 -4.534 -4.517 -5.823 206 HB2 CYS 7 1HB CYS 7 -7.029 -6.145 -5.551 207 HB3 CYS 7 2HB CYS 7 -5.652 -6.774 -4.636 208 H AIB 8 H AIB 8 -5.775 -7.751 -6.690 209 HB11 AIB 8 1HB1 AIB 8 -5.046 -11.167 -6.856 210 HB12 AIB 8 3HB1 AIB 8 -5.898 -10.054 -7.985 211 HB13 AIB 8 1HB2 AIB 8 -6.132 -9.897 -6.257 212 HB21 AIB 8 3HB2 AIB 8 -2.403 -8.830 -5.662 213 HB22 AIB 8 2HB1 AIB 8 -3.160 -10.395 -5.526 214 HB23 AIB 8 2HB2 AIB 8 -3.970 -9.023 -4.760 215 H SER 9 H SER 9 -3.752 -11.161 -8.453 216 HA SER 9 HA SER 9 -1.315 -10.698 -9.765 217 HB2 SER 9 1HB SER 9 -2.393 -12.892 -9.613 218 HB3 SER 9 2HB SER 9 -3.751 -12.323 -10.662 219 HG SER 9 HG SER 9 -1.029 -12.879 -11.348 220 H HIS 10 H HIS 10 -4.533 -9.490 -10.737 221 HA HIS 10 HA HIS 10 -3.908 -8.857 -13.478 222 HB2 HIS 10 1HB HIS 10 -5.654 -7.455 -11.437 223 HB3 HIS 10 2HB HIS 10 -5.679 -7.109 -13.143 224 HD1 HIS 10 HD1 HIS 10 -6.444 -9.247 -14.716 225 HD2 HIS 10 HD2 HIS 10 -7.253 -9.630 -10.629 226 HE1 HIS 10 HE1 HIS 10 -8.131 -11.186 -14.469 227 HE2 HIS 10 H01 HIS 10 -8.647 -11.343 -12.001 228 H LEU 11 H LEU 11 -3.066 -7.137 -10.395 229 HA LEU 11 HA LEU 11 -2.017 -4.796 -11.753 230 HB2 LEU 11 1HB LEU 11 -2.648 -4.916 -9.429 231 HB3 LEU 11 2HB LEU 11 -1.415 -6.091 -9.144 232 HG LEU 11 HG LEU 11 -1.093 -3.796 -8.201 233 HD11 LEU 11 1HD1 LEU 11 1.230 -4.059 -8.239 234 HD12 LEU 11 2HD1 LEU 11 1.206 -4.715 -9.898 235 HD13 LEU 11 3HD1 LEU 11 0.582 -5.702 -8.566 236 HD21 LEU 11 3HD2 LEU 11 -0.300 -2.961 -10.973 237 HD22 LEU 11 1HD2 LEU 11 0.116 -2.078 -9.534 238 HD23 LEU 11 2HD2 LEU 11 -1.555 -2.241 -10.007 239 H VAL 12 H VAL 12 -0.603 -7.898 -10.799 240 HA VAL 12 HA VAL 12 2.130 -7.158 -11.435 241 HB VAL 12 HB VAL 12 0.822 -9.949 -11.313 242 HG11 VAL 12 1HG1 VAL 12 3.725 -9.120 -11.027 243 HG12 VAL 12 2HG1 VAL 12 3.066 -10.743 -10.739 244 HG13 VAL 12 3HG1 VAL 12 2.991 -10.008 -12.366 245 HG21 VAL 12 3HG2 VAL 12 2.062 -8.275 -9.090 246 HG22 VAL 12 1HG2 VAL 12 0.365 -8.840 -9.223 247 HG23 VAL 12 2HG2 VAL 12 1.695 -10.007 -8.947 248 H GLU 13 H GLU 13 -0.537 -8.806 -13.190 249 HA GLU 13 HA GLU 13 0.949 -9.383 -15.572 250 HB2 GLU 13 1HB GLU 13 -1.356 -10.277 -14.852 251 HB3 GLU 13 2HB GLU 13 -1.986 -8.780 -15.505 252 HG2 GLU 13 1HG GLU 13 -0.670 -9.479 -17.643 253 HG3 GLU 13 2HG GLU 13 -0.718 -11.113 -16.976 254 HE2 GLU 13 HE2 GLU 13 -2.940 -11.171 -15.872 255 H ALA 14 H ALA 14 -1.073 -6.586 -14.686 256 HA ALA 14 HA ALA 14 -0.673 -5.145 -17.091 257 HB1 ALA 14 3HB ALA 14 -1.293 -3.128 -15.735 258 HB2 ALA 14 1HB ALA 14 -2.373 -4.506 -15.405 259 HB3 ALA 14 2HB ALA 14 -1.106 -4.073 -14.241 260 H LEU 15 H LEU 15 1.296 -5.264 -14.064 261 HA LEU 15 HA LEU 15 3.170 -3.279 -14.861 262 HB2 LEU 15 1HB LEU 15 2.942 -5.212 -12.761 263 HB3 LEU 15 2HB LEU 15 4.506 -5.471 -13.501 264 HG LEU 15 HG LEU 15 3.544 -2.860 -12.358 265 HD11 LEU 15 1HD1 LEU 15 3.646 -4.506 -10.647 266 HD12 LEU 15 2HD1 LEU 15 4.983 -3.323 -10.474 267 HD13 LEU 15 3HD1 LEU 15 5.252 -4.962 -11.143 268 HD21 LEU 15 3HD2 LEU 15 6.293 -3.717 -13.228 269 HD22 LEU 15 1HD2 LEU 15 5.890 -2.173 -12.485 270 HD23 LEU 15 2HD2 LEU 15 5.277 -2.580 -14.087 271 H TYR 16 H TYR 16 3.263 -6.833 -15.397 272 HA TYR 16 HA TYR 16 5.708 -6.997 -16.869 273 HB2 TYR 16 1HB TYR 16 4.578 -8.972 -16.092 274 HB3 TYR 16 2HB TYR 16 3.133 -8.599 -17.011 275 HD1 TYR 16 HD2 TYR 16 6.664 -9.738 -17.367 276 HD2 TYR 16 HD1 TYR 16 2.892 -9.110 -19.391 277 HE1 TYR 16 HE2 TYR 16 7.581 -10.918 -19.394 278 HE2 TYR 16 HE1 TYR 16 3.793 -10.419 -21.374 279 HH TYR 16 HH TYR 16 7.111 -11.787 -21.453 280 H LEU 17 H LEU 17 2.348 -6.449 -18.036 281 HA LEU 17 HA LEU 17 3.028 -6.528 -20.785 282 HB2 LEU 17 1HB LEU 17 0.738 -5.261 -19.295 283 HB3 LEU 17 2HB LEU 17 0.805 -5.265 -21.049 284 HG LEU 17 HG LEU 17 0.692 -7.784 -19.388 285 HD11 LEU 17 1HD1 LEU 17 -1.361 -6.494 -19.121 286 HD12 LEU 17 2HD1 LEU 17 -1.666 -7.843 -20.272 287 HD13 LEU 17 3HD1 LEU 17 -1.447 -6.175 -20.884 288 HD21 LEU 17 3HD2 LEU 17 -0.084 -8.762 -21.610 289 HD22 LEU 17 1HD2 LEU 17 1.669 -8.412 -21.404 290 HD23 LEU 17 2HD2 LEU 17 0.625 -7.324 -22.360 291 H VAL 18 H VAL 18 2.571 -3.709 -18.520 292 HA VAL 18 HA VAL 18 3.135 -1.877 -20.672 293 HB VAL 18 HB VAL 18 1.832 -1.364 -18.589 294 HG11 VAL 18 1HG1 VAL 18 2.886 -0.685 -16.560 295 HG12 VAL 18 2HG1 VAL 18 3.614 -2.221 -16.963 296 HG13 VAL 18 3HG1 VAL 18 4.503 -0.735 -17.322 297 HG21 VAL 18 3HG2 VAL 18 4.009 0.592 -19.447 298 HG22 VAL 18 1HG2 VAL 18 2.431 0.456 -20.184 299 HG23 VAL 18 2HG2 VAL 18 2.549 1.039 -18.535 300 H CYS 19 H CYS 19 5.269 -3.564 -18.358 301 HA CYS 19 HA CYS 19 7.500 -1.734 -18.945 302 HB2 CYS 19 1HB CYS 19 6.970 -2.695 -16.677 303 HB3 CYS 19 2HB CYS 19 7.525 -4.263 -17.340 304 H GLY 20 H GLY 20 6.539 -5.053 -19.754 305 HA2 GLY 20 1HA GLY 20 7.352 -6.253 -21.595 306 HA3 GLY 20 2HA GLY 20 8.698 -5.105 -21.722 307 H GLU 21 H GLU 21 9.662 -7.367 -22.068 308 HA GLU 21 HA GLU 21 9.581 -9.198 -19.914 309 HB2 GLU 21 1HB GLU 21 11.562 -9.112 -22.204 310 HB3 GLU 21 2HB GLU 21 11.301 -10.457 -21.100 311 HG2 GLU 21 1HG GLU 21 8.931 -10.583 -21.921 312 HG3 GLU 21 2HG GLU 21 9.346 -9.305 -23.064 313 HE2 GLU 21 HE2 GLU 21 11.721 -12.245 -23.855 314 H ARG 22 H ARG 22 11.282 -6.354 -19.812 315 HA ARG 22 HA ARG 22 13.808 -7.317 -18.806 316 HB2 ARG 22 1HB ARG 22 13.752 -4.926 -17.658 317 HB3 ARG 22 2HB ARG 22 14.209 -5.110 -19.315 318 HG2 ARG 22 1HG ARG 22 11.293 -4.601 -19.006 319 HG3 ARG 22 2HG ARG 22 12.356 -3.351 -18.307 320 HD2 ARG 22 1HD ARG 22 13.654 -3.469 -20.596 321 HD3 ARG 22 2HD ARG 22 12.256 -4.375 -21.198 322 HE ARG 22 HE ARG 22 11.227 -1.996 -20.175 323 HH11 ARG 22 1HH1 ARG 22 13.461 -2.885 -22.696 324 HH12 ARG 22 2HH1 ARG 22 13.183 -1.449 -23.634 325 HH21 ARG 22 1HH2 ARG 22 10.892 -0.109 -21.419 326 HH22 ARG 22 2HH2 ARG 22 11.778 0.138 -22.896 327 H GLY 23 H GLY 23 10.694 -6.677 -17.299 328 HA2 GLY 23 1HA GLY 23 9.987 -7.798 -15.420 329 HA3 GLY 23 2HA GLY 23 11.656 -8.283 -15.056 330 H PHE 24 H PHE 24 9.896 -7.395 -13.111 331 HA PHE 24 HA PHE 24 10.887 -4.692 -12.321 332 HB2 PHE 24 1HB PHE 24 8.629 -4.689 -11.087 333 HB3 PHE 24 2HB PHE 24 8.645 -4.377 -12.818 334 HD1 PHE 24 HD1 PHE 24 7.837 -6.896 -10.251 335 HD2 PHE 24 HD2 PHE 24 7.616 -5.871 -14.413 336 HE1 PHE 24 HE1 PHE 24 6.137 -8.690 -10.595 337 HE2 PHE 24 HE2 PHE 24 5.952 -7.724 -14.785 338 HZ PHE 24 HZ PHE 24 5.233 -9.131 -12.822 339 H PHE 25 H PHE 25 11.141 -7.966 -11.654 340 HA PHE 25 HA PHE 25 10.342 -8.065 -8.916 341 HB2 PHE 25 1HB PHE 25 11.186 -10.273 -8.836 342 HB3 PHE 25 2HB PHE 25 10.514 -10.032 -10.447 343 HD1 PHE 25 HD1 PHE 25 12.130 -9.618 -12.436 344 HD2 PHE 25 HD2 PHE 25 13.556 -10.878 -8.559 345 HE1 PHE 25 HE1 PHE 25 14.271 -10.257 -13.424 346 HE2 PHE 25 HE2 PHE 25 15.724 -11.536 -9.564 347 HZ PHE 25 HZ PHE 25 16.113 -11.232 -12.010 348 H TYR 26 H TYR 26 11.623 -8.415 -6.982 349 HA TYR 26 HA TYR 26 14.370 -7.318 -7.156 350 HB2 TYR 26 1HB TYR 26 12.313 -7.026 -4.965 351 HB3 TYR 26 2HB TYR 26 14.054 -6.667 -4.724 352 HD1 TYR 26 HD2 TYR 26 15.114 -4.776 -6.012 353 HD2 TYR 26 HD1 TYR 26 10.893 -5.472 -6.188 354 HE1 TYR 26 HE2 TYR 26 14.766 -2.453 -6.847 355 HE2 TYR 26 HE1 TYR 26 10.563 -3.133 -7.012 356 HH TYR 26 HH TYR 26 11.567 -1.118 -7.571 357 H THR 27 H THR 27 15.786 -8.922 -6.899 358 HA THR 27 HA THR 27 16.910 -10.761 -6.042 359 HB THR 27 HB THR 27 16.688 -11.580 -3.848 360 HG1 THR 27 HG1 THR 27 14.058 -10.629 -4.038 361 HG21 THR 27 1HG2 THR 27 16.675 -9.583 -2.452 362 HG22 THR 27 2HG2 THR 27 15.598 -8.744 -3.560 363 HG23 THR 27 3HG2 THR 27 17.235 -9.046 -4.034 364 H LYS 28 H LYS 28 16.854 -13.120 -6.139 365 HA LYS 28 HA LYS 28 14.750 -13.748 -8.080 366 HB2 LYS 28 1HB LYS 28 16.878 -15.572 -6.866 367 HB3 LYS 28 2HB LYS 28 15.804 -15.954 -8.272 368 HG2 LYS 28 1HG LYS 28 16.764 -14.105 -9.500 369 HG3 LYS 28 2HG LYS 28 17.886 -13.757 -8.142 370 HD2 LYS 28 1HD LYS 28 18.639 -16.182 -8.417 371 HD3 LYS 28 2HD LYS 28 17.674 -16.203 -9.899 372 HE2 LYS 28 1HE LYS 28 19.897 -14.227 -9.378 373 HE3 LYS 28 2HE LYS 28 20.086 -15.699 -10.351 374 HZ1 LYS 28 3HZ LYS 28 18.371 -14.789 -11.836 375 HZ2 LYS 28 1HZ LYS 28 19.695 -13.848 -11.787 376 HZ3 LYS 28 2HZ LYS 28 18.364 -13.347 -11.007 377 HA PRO 29 HA PRO 29 12.230 -15.770 -4.915 378 HB2 PRO 29 1HB PRO 29 9.915 -15.922 -6.253 379 HB3 PRO 29 2HB PRO 29 10.499 -14.358 -5.704 380 HG2 PRO 29 1HG PRO 29 10.720 -15.632 -8.414 381 HG3 PRO 29 2HG PRO 29 10.229 -13.979 -7.985 382 HD2 PRO 29 1HD PRO 29 12.839 -14.782 -8.820 383 HD3 PRO 29 2HD PRO 29 12.534 -13.299 -7.841 384 H THR 30 H THR 30 13.914 -17.482 -5.440 385 HA THR 30 HA THR 30 13.326 -19.325 -7.491 386 HB THR 30 HB THR 30 15.604 -19.216 -6.684 387 HG1 THR 30 HG1 THR 30 14.619 -21.641 -5.633 388 HG21 THR 30 1HG2 THR 30 14.388 -19.731 -3.908 389 HG22 THR 30 2HG2 THR 30 15.658 -18.530 -4.403 390 HG23 THR 30 3HG2 THR 30 16.030 -20.266 -4.277 391 HXT THR 30 H02 THR 30 12.763 -21.148 -7.391 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 1.538 -0.690 1.833 2 H2 GLY 1 2H GLY 1 0.454 -1.025 0.622 3 HA2 GLY 1 1HA GLY 1 3.210 -0.256 0.445 4 HA3 GLY 1 2HA GLY 1 2.722 -1.540 -0.677 5 H ILE 2 H ILE 2 3.698 0.483 -1.869 6 HA ILE 2 HA ILE 2 1.852 2.566 -2.562 7 HB ILE 2 HB ILE 2 3.752 1.254 -4.540 8 HG12 ILE 2 1HG1 ILE 2 4.642 3.392 -2.576 9 HG13 ILE 2 2HG1 ILE 2 4.938 1.696 -2.259 10 HG21 ILE 2 1HG2 ILE 2 3.055 4.177 -4.178 11 HG22 ILE 2 2HG2 ILE 2 3.943 3.462 -5.528 12 HG23 ILE 2 3HG2 ILE 2 2.227 3.109 -5.304 13 HD11 ILE 2 3HD1 ILE 2 6.245 1.662 -4.532 14 HD12 ILE 2 1HD1 ILE 2 6.169 3.432 -4.421 15 HD13 ILE 2 2HD1 ILE 2 6.998 2.523 -3.182 16 H VAL 3 H VAL 3 2.281 -0.837 -3.574 17 HA VAL 3 HA VAL 3 0.406 -0.758 -5.735 18 HB VAL 3 HB VAL 3 1.980 -2.643 -5.340 19 HG11 VAL 3 1HG1 VAL 3 1.765 -4.244 -3.565 20 HG12 VAL 3 2HG1 VAL 3 1.564 -2.669 -2.746 21 HG13 VAL 3 3HG1 VAL 3 0.152 -3.677 -3.135 22 HG21 VAL 3 3HG2 VAL 3 -0.926 -3.551 -5.270 23 HG22 VAL 3 1HG2 VAL 3 -0.083 -2.949 -6.711 24 HG23 VAL 3 2HG2 VAL 3 0.455 -4.442 -5.932 25 H GLU 4 H GLU 4 -0.100 -1.120 -2.204 26 HA GLU 4 HA GLU 4 -2.896 -1.772 -2.519 27 HB2 GLU 4 1HB GLU 4 -1.292 -2.132 -0.449 28 HB3 GLU 4 2HB GLU 4 -1.630 -0.473 -0.028 29 HG2 GLU 4 1HG GLU 4 -4.067 -1.056 0.099 30 HG3 GLU 4 2HG GLU 4 -3.649 -2.710 -0.344 31 HE2 GLU 4 HE2 GLU 4 -2.282 -1.460 3.199 32 H GLN 5 H GLN 5 -0.992 1.332 -2.097 33 HA GLN 5 HA GLN 5 -3.252 3.073 -1.901 34 HB2 GLN 5 1HB GLN 5 -0.817 3.663 -1.517 35 HB3 GLN 5 2HB GLN 5 -0.606 3.686 -3.289 36 HG2 GLN 5 1HG GLN 5 -0.923 5.941 -2.424 37 HG3 GLN 5 2HG GLN 5 -2.350 5.482 -3.387 38 HE21 GLN 5 2HE2 GLN 5 -1.111 5.663 -0.049 39 HE22 GLN 5 1HE2 GLN 5 -2.675 6.053 0.672 40 H CYS 6 H CYS 6 -1.548 1.637 -4.657 41 HA CYS 6 HA CYS 6 -3.010 3.133 -6.685 42 HB2 CYS 6 1HB CYS 6 -0.778 1.926 -6.766 43 HB3 CYS 6 2HB CYS 6 -1.705 0.431 -7.003 44 H CYS 7 H CYS 7 -3.452 -0.105 -5.073 45 HA CYS 7 HA CYS 7 -5.545 -0.803 -6.923 46 HB2 CYS 7 1HB CYS 7 -4.273 -2.398 -5.527 47 HB3 CYS 7 2HB CYS 7 -5.065 -1.731 -4.075 48 H THR 8 H THR 8 -5.704 1.083 -3.863 49 HA THR 8 HA THR 8 -8.622 0.972 -3.754 50 HB THR 8 HB THR 8 -7.262 1.405 -1.712 51 HG1 THR 8 HG1 THR 8 -9.096 2.222 -1.095 52 HG21 THR 8 1HG2 THR 8 -6.869 4.211 -2.823 53 HG22 THR 8 2HG2 THR 8 -5.620 2.957 -2.757 54 HG23 THR 8 3HG2 THR 8 -6.332 3.585 -1.264 55 H SER 9 H SER 9 -6.456 2.509 -5.852 56 HA SER 9 HA SER 9 -8.570 4.443 -6.703 57 HB2 SER 9 1HB SER 9 -5.581 4.531 -7.345 58 HB3 SER 9 2HB SER 9 -6.767 5.808 -7.639 59 HG SER 9 HG SER 9 -6.109 4.813 -5.055 60 H ILE 10 H ILE 10 -7.409 4.790 -9.322 61 HA ILE 10 HA ILE 10 -7.704 2.037 -10.383 62 HB ILE 10 HB ILE 10 -8.291 4.660 -11.848 63 HG12 ILE 10 1HG1 ILE 10 -9.991 4.284 -10.193 64 HG13 ILE 10 2HG1 ILE 10 -10.656 4.026 -11.779 65 HG21 ILE 10 1HG2 ILE 10 -7.489 2.823 -13.379 66 HG22 ILE 10 2HG2 ILE 10 -8.654 1.712 -12.694 67 HG23 ILE 10 3HG2 ILE 10 -9.236 3.089 -13.625 68 HD11 ILE 10 3HD1 ILE 10 -11.566 2.370 -10.228 69 HD12 ILE 10 1HD1 ILE 10 -10.525 1.529 -11.393 70 HD13 ILE 10 2HD1 ILE 10 -9.926 1.863 -9.737 71 H CYS 11 H CYS 11 -5.797 1.254 -11.078 72 HA CYS 11 HA CYS 11 -3.544 3.083 -11.265 73 HB2 CYS 11 1HB CYS 11 -3.794 0.076 -11.930 74 HB3 CYS 11 2HB CYS 11 -2.283 1.011 -11.807 75 H SER 12 H SER 12 -2.456 3.764 -13.095 76 HA SER 12 HA SER 12 -3.528 2.992 -15.793 77 HB2 SER 12 1HB SER 12 -2.169 5.585 -15.008 78 HB3 SER 12 2HB SER 12 -2.825 5.164 -16.581 79 HG SER 12 HG SER 12 -4.792 4.799 -15.032 80 H LEU 13 H LEU 13 -1.992 2.994 -17.517 81 HA LEU 13 HA LEU 13 0.297 1.407 -17.000 82 HB2 LEU 13 1HB LEU 13 -0.415 3.211 -19.346 83 HB3 LEU 13 2HB LEU 13 0.923 1.991 -19.418 84 HG LEU 13 HG LEU 13 -1.330 0.599 -18.310 85 HD11 LEU 13 1HD1 LEU 13 -3.001 0.942 -20.200 86 HD12 LEU 13 2HD1 LEU 13 -2.048 2.306 -20.859 87 HD13 LEU 13 3HD1 LEU 13 -2.845 2.402 -19.250 88 HD21 LEU 13 3HD2 LEU 13 -1.149 -0.506 -20.736 89 HD22 LEU 13 1HD2 LEU 13 0.314 -0.492 -19.702 90 HD23 LEU 13 2HD2 LEU 13 0.124 0.687 -20.980 91 H TYR 14 H TYR 14 0.184 4.855 -17.524 92 HA TYR 14 HA TYR 14 2.935 5.410 -17.399 93 HB2 TYR 14 1HB TYR 14 0.981 7.065 -17.916 94 HB3 TYR 14 2HB TYR 14 0.792 7.277 -16.200 95 HD1 TYR 14 HD1 TYR 14 3.023 7.834 -18.991 96 HD2 TYR 14 HD2 TYR 14 2.418 8.345 -14.866 97 HE1 TYR 14 HE1 TYR 14 4.772 9.456 -19.110 98 HE2 TYR 14 HE2 TYR 14 3.895 10.451 -15.169 99 HH TYR 14 HH TYR 14 5.947 11.082 -17.907 100 H GLN 15 H GLN 15 0.609 4.983 -14.738 101 HA GLN 15 HA GLN 15 2.464 5.789 -12.610 102 HB2 GLN 15 1HB GLN 15 -0.029 4.123 -12.460 103 HB3 GLN 15 2HB GLN 15 0.859 4.694 -11.071 104 HG2 GLN 15 1HG GLN 15 0.315 6.975 -11.561 105 HG3 GLN 15 2HG GLN 15 -0.369 6.582 -13.127 106 HE21 GLN 15 2HE2 GLN 15 -1.320 7.712 -10.372 107 HE22 GLN 15 1HE2 GLN 15 -2.810 6.886 -10.102 108 H LEU 16 H LEU 16 1.249 2.735 -13.997 109 HA LEU 16 HA LEU 16 2.601 0.918 -12.352 110 HB2 LEU 16 1HB LEU 16 1.726 0.725 -15.214 111 HB3 LEU 16 2HB LEU 16 2.536 -0.610 -14.422 112 HG LEU 16 HG LEU 16 -0.029 0.640 -13.397 113 HD11 LEU 16 1HD1 LEU 16 -1.191 -1.275 -14.346 114 HD12 LEU 16 2HD1 LEU 16 0.335 -1.803 -15.149 115 HD13 LEU 16 3HD1 LEU 16 -0.470 -0.278 -15.594 116 HD21 LEU 16 3HD2 LEU 16 1.169 -0.576 -11.651 117 HD22 LEU 16 1HD2 LEU 16 1.430 -1.968 -12.720 118 HD23 LEU 16 2HD2 LEU 16 -0.211 -1.558 -12.145 119 H GLU 17 H GLU 17 3.941 2.721 -15.124 120 HA GLU 17 HA GLU 17 6.352 1.223 -15.431 121 HB2 GLU 17 1HB GLU 17 5.572 4.106 -15.960 122 HB3 GLU 17 2HB GLU 17 7.270 3.547 -16.107 123 HG2 GLU 17 1HG GLU 17 4.958 2.188 -17.479 124 HG3 GLU 17 2HG GLU 17 5.883 3.517 -18.205 125 HE2 GLU 17 HE2 GLU 17 7.106 -0.143 -18.261 126 H ASN 18 H ASN 18 5.525 3.577 -12.911 127 HA ASN 18 HA ASN 18 8.328 3.888 -12.096 128 HB2 ASN 18 1HB ASN 18 5.691 4.418 -10.738 129 HB3 ASN 18 2HB ASN 18 7.201 4.677 -9.905 130 HD21 ASN 18 2HD2 ASN 18 4.908 6.311 -11.401 131 HD22 ASN 18 1HD2 ASN 18 5.835 7.585 -12.162 132 H TYR 19 H TYR 19 5.986 1.336 -11.714 133 HA TYR 19 HA TYR 19 7.393 0.207 -9.353 134 HB2 TYR 19 1HB TYR 19 5.338 -0.973 -11.166 135 HB3 TYR 19 2HB TYR 19 6.048 -1.829 -9.782 136 HD1 TYR 19 HD2 TYR 19 3.792 0.949 -10.857 137 HD2 TYR 19 HD1 TYR 19 5.294 -1.226 -7.491 138 HE1 TYR 19 HE2 TYR 19 1.931 1.788 -9.491 139 HE2 TYR 19 HE1 TYR 19 3.405 -0.350 -6.063 140 HH TYR 19 HH TYR 19 1.321 0.796 -6.185 141 H CYS 20 H CYS 20 7.931 0.392 -12.689 142 HA CYS 20 HA CYS 20 9.141 -2.280 -13.032 143 HB2 CYS 20 1HB CYS 20 7.754 -1.249 -14.815 144 HB3 CYS 20 2HB CYS 20 8.869 0.125 -14.887 145 H ASN 21 H ASN 21 11.401 -2.530 -13.616 146 HA ASN 21 HA ASN 21 13.139 -0.821 -12.003 147 HB2 ASN 21 1HB ASN 21 13.760 -3.231 -12.750 148 HB3 ASN 21 2HB ASN 21 14.026 -2.604 -14.417 149 HD21 ASN 21 2HD2 ASN 21 16.134 -2.741 -14.691 150 HD22 ASN 21 1HD2 ASN 21 17.317 -2.007 -13.677 151 HXT ASN 21 H02 ASN 21 14.005 1.671 -13.880 152 H1 PHE 1 1H PHE 1 -6.764 -4.938 -21.726 153 H2 PHE 1 2H PHE 1 -8.302 -4.331 -22.013 154 HA PHE 1 HA PHE 1 -6.932 -4.338 -19.368 155 HB2 PHE 1 1HB PHE 1 -7.553 -2.086 -21.273 156 HB3 PHE 1 2HB PHE 1 -7.026 -1.934 -19.624 157 HD1 PHE 1 HD1 PHE 1 -4.786 -3.066 -18.955 158 HD2 PHE 1 HD2 PHE 1 -5.970 -2.387 -23.044 159 HE1 PHE 1 HE1 PHE 1 -2.432 -3.246 -19.684 160 HE2 PHE 1 HE2 PHE 1 -3.703 -2.655 -23.755 161 HZ PHE 1 HZ PHE 1 -1.861 -3.047 -22.147 162 H VAL 2 H VAL 2 -8.138 -4.234 -17.699 163 HA VAL 2 HA VAL 2 -11.017 -3.619 -17.885 164 HB VAL 2 HB VAL 2 -9.382 -4.992 -15.669 165 HG11 VAL 2 1HG1 VAL 2 -12.430 -4.590 -15.950 166 HG12 VAL 2 2HG1 VAL 2 -11.646 -5.586 -14.695 167 HG13 VAL 2 3HG1 VAL 2 -11.403 -3.856 -14.707 168 HG21 VAL 2 3HG2 VAL 2 -9.504 -6.532 -17.535 169 HG22 VAL 2 1HG2 VAL 2 -10.764 -7.049 -16.413 170 HG23 VAL 2 2HG2 VAL 2 -11.184 -6.095 -17.866 171 H ASN 3 H ASN 3 -11.679 -1.571 -17.137 172 HA ASN 3 HA ASN 3 -9.742 0.222 -15.898 173 HB2 ASN 3 1HB ASN 3 -11.332 1.940 -16.064 174 HB3 ASN 3 2HB ASN 3 -11.340 1.008 -17.585 175 HD21 ASN 3 2HD2 ASN 3 -13.062 -0.459 -18.027 176 HD22 ASN 3 1HD2 ASN 3 -14.603 -0.179 -17.266 177 H GLN 4 H GLN 4 -11.509 -2.073 -14.359 178 HA GLN 4 HA GLN 4 -12.417 -0.436 -12.098 179 HB2 GLN 4 1HB GLN 4 -12.376 -3.375 -12.752 180 HB3 GLN 4 2HB GLN 4 -12.436 -2.868 -11.080 181 HG2 GLN 4 1HG GLN 4 -14.698 -3.240 -11.843 182 HG3 GLN 4 2HG GLN 4 -14.470 -1.570 -11.504 183 HE21 GLN 4 2HE2 GLN 4 -15.215 -0.157 -12.955 184 HE22 GLN 4 1HE2 GLN 4 -15.468 -0.490 -14.649 185 H HIS 5 H HIS 5 -11.544 -1.697 -9.949 186 HA HIS 5 HA HIS 5 -8.926 -0.549 -9.566 187 HB2 HIS 5 1HB HIS 5 -10.585 -2.491 -7.935 188 HB3 HIS 5 2HB HIS 5 -9.107 -1.691 -7.321 189 HD1 HIS 5 HD1 HIS 5 -9.183 0.842 -6.838 190 HD2 HIS 5 HD2 HIS 5 -12.880 -0.823 -7.897 191 HE1 HIS 5 HE1 HIS 5 -10.968 2.492 -6.100 192 HE2 HIS 5 H01 HIS 5 -13.205 1.488 -6.766 193 H LEU 6 H LEU 6 -7.051 -1.357 -10.206 194 HA LEU 6 HA LEU 6 -6.806 -4.224 -10.889 195 HB2 LEU 6 1HB LEU 6 -4.980 -1.756 -11.053 196 HB3 LEU 6 2HB LEU 6 -4.357 -3.389 -11.272 197 HG LEU 6 HG LEU 6 -6.270 -3.565 -13.099 198 HD11 LEU 6 1HD1 LEU 6 -6.682 -1.487 -14.281 199 HD12 LEU 6 2HD1 LEU 6 -5.607 -0.586 -13.220 200 HD13 LEU 6 3HD1 LEU 6 -7.160 -1.218 -12.611 201 HD21 LEU 6 3HD2 LEU 6 -4.031 -3.968 -13.726 202 HD22 LEU 6 1HD2 LEU 6 -3.511 -2.336 -13.276 203 HD23 LEU 6 2HD2 LEU 6 -4.492 -2.585 -14.714 204 H CYS 7 H CYS 7 -6.203 -5.664 -9.540 205 HA CYS 7 HA CYS 7 -4.266 -5.048 -7.445 206 HB2 CYS 7 1HB CYS 7 -7.089 -5.498 -6.841 207 HB3 CYS 7 2HB CYS 7 -6.124 -6.893 -6.291 208 H AIB 8 H AIB 8 -3.812 -7.280 -6.489 209 HB11 AIB 8 1HB1 AIB 8 -4.893 -9.782 -6.092 210 HB12 AIB 8 3HB1 AIB 8 -4.214 -11.047 -7.066 211 HB13 AIB 8 1HB2 AIB 8 -5.414 -9.985 -7.753 212 HB21 AIB 8 3HB2 AIB 8 -1.346 -8.737 -7.115 213 HB22 AIB 8 2HB1 AIB 8 -1.935 -10.235 -6.527 214 HB23 AIB 8 2HB2 AIB 8 -2.391 -8.750 -5.680 215 H SER 9 H SER 9 -4.110 -11.014 -9.091 216 HA SER 9 HA SER 9 -2.112 -11.291 -11.085 217 HB2 SER 9 1HB SER 9 -3.744 -13.052 -10.665 218 HB3 SER 9 2HB SER 9 -5.064 -12.008 -11.187 219 HG SER 9 HG SER 9 -3.984 -13.605 -12.738 220 H HIS 10 H HIS 10 -5.057 -9.179 -11.331 221 HA HIS 10 HA HIS 10 -4.495 -8.426 -14.035 222 HB2 HIS 10 1HB HIS 10 -6.083 -7.136 -11.792 223 HB3 HIS 10 2HB HIS 10 -5.726 -6.212 -13.263 224 HD1 HIS 10 HD1 HIS 10 -6.603 -7.336 -15.648 225 HD2 HIS 10 HD2 HIS 10 -8.254 -8.798 -12.052 226 HE1 HIS 10 HE1 HIS 10 -8.654 -8.635 -16.221 227 HE2 HIS 10 H01 HIS 10 -9.612 -9.533 -14.120 228 H LEU 11 H LEU 11 -3.498 -7.109 -10.900 229 HA LEU 11 HA LEU 11 -2.261 -4.741 -11.992 230 HB2 LEU 11 1HB LEU 11 -2.912 -5.295 -9.615 231 HB3 LEU 11 2HB LEU 11 -1.470 -6.293 -9.503 232 HG LEU 11 HG LEU 11 -1.233 -4.123 -8.385 233 HD11 LEU 11 1HD1 LEU 11 0.629 -3.811 -10.760 234 HD12 LEU 11 2HD1 LEU 11 0.825 -5.168 -9.565 235 HD13 LEU 11 3HD1 LEU 11 0.918 -3.476 -9.015 236 HD21 LEU 11 3HD2 LEU 11 -2.805 -2.868 -9.713 237 HD22 LEU 11 1HD2 LEU 11 -1.673 -2.877 -11.111 238 HD23 LEU 11 2HD2 LEU 11 -1.259 -2.010 -9.640 239 H VAL 12 H VAL 12 -1.005 -8.033 -11.225 240 HA VAL 12 HA VAL 12 1.757 -7.337 -11.753 241 HB VAL 12 HB VAL 12 0.523 -10.171 -11.703 242 HG11 VAL 12 1HG1 VAL 12 2.703 -10.001 -12.800 243 HG12 VAL 12 2HG1 VAL 12 3.406 -9.305 -11.308 244 HG13 VAL 12 3HG1 VAL 12 2.771 -10.971 -11.308 245 HG21 VAL 12 3HG2 VAL 12 1.637 -8.478 -9.433 246 HG22 VAL 12 1HG2 VAL 12 0.080 -9.282 -9.558 247 HG23 VAL 12 2HG2 VAL 12 1.545 -10.233 -9.328 248 H GLU 13 H GLU 13 -0.800 -8.942 -13.673 249 HA GLU 13 HA GLU 13 0.778 -9.449 -15.968 250 HB2 GLU 13 1HB GLU 13 -1.622 -10.227 -15.313 251 HB3 GLU 13 2HB GLU 13 -2.160 -8.671 -15.946 252 HG2 GLU 13 1HG GLU 13 -1.180 -9.088 -18.145 253 HG3 GLU 13 2HG GLU 13 -0.562 -10.656 -17.620 254 HE2 GLU 13 HE2 GLU 13 -3.677 -10.972 -19.346 255 H ALA 14 H ALA 14 -1.257 -6.551 -15.147 256 HA ALA 14 HA ALA 14 -0.720 -5.139 -17.561 257 HB1 ALA 14 3HB ALA 14 -1.257 -3.951 -14.847 258 HB2 ALA 14 1HB ALA 14 -1.650 -3.270 -16.466 259 HB3 ALA 14 2HB ALA 14 -2.465 -4.713 -15.865 260 H LEU 15 H LEU 15 0.997 -5.242 -14.463 261 HA LEU 15 HA LEU 15 2.985 -3.281 -15.116 262 HB2 LEU 15 1HB LEU 15 2.570 -4.046 -12.832 263 HB3 LEU 15 2HB LEU 15 3.087 -5.667 -13.276 264 HG LEU 15 HG LEU 15 5.346 -4.949 -13.588 265 HD11 LEU 15 1HD1 LEU 15 6.076 -2.686 -12.801 266 HD12 LEU 15 2HD1 LEU 15 4.358 -2.182 -12.893 267 HD13 LEU 15 3HD1 LEU 15 5.183 -2.706 -14.391 268 HD21 LEU 15 3HD2 LEU 15 4.484 -5.602 -11.328 269 HD22 LEU 15 1HD2 LEU 15 4.212 -3.876 -10.960 270 HD23 LEU 15 2HD2 LEU 15 5.877 -4.478 -11.257 271 H TYR 16 H TYR 16 2.901 -6.876 -15.595 272 HA TYR 16 HA TYR 16 5.644 -6.950 -16.579 273 HB2 TYR 16 1HB TYR 16 4.423 -8.889 -15.680 274 HB3 TYR 16 2HB TYR 16 3.226 -8.822 -16.984 275 HD1 TYR 16 HD1 TYR 16 6.923 -9.325 -16.326 276 HD2 TYR 16 HD2 TYR 16 3.626 -9.910 -19.043 277 HE1 TYR 16 HE1 TYR 16 8.368 -10.813 -17.735 278 HE2 TYR 16 HE2 TYR 16 5.090 -11.178 -20.531 279 HH TYR 16 HH TYR 16 8.478 -11.875 -19.856 280 H LEU 17 H LEU 17 2.468 -6.572 -18.200 281 HA LEU 17 HA LEU 17 3.370 -6.580 -20.910 282 HB2 LEU 17 1HB LEU 17 1.041 -5.264 -19.514 283 HB3 LEU 17 2HB LEU 17 1.297 -5.024 -21.214 284 HG LEU 17 HG LEU 17 0.909 -7.741 -19.956 285 HD11 LEU 17 1HD1 LEU 17 -1.081 -6.181 -19.844 286 HD12 LEU 17 2HD1 LEU 17 -1.330 -7.725 -20.675 287 HD13 LEU 17 3HD1 LEU 17 -1.125 -6.214 -21.606 288 HD21 LEU 17 3HD2 LEU 17 0.488 -8.545 -22.248 289 HD22 LEU 17 1HD2 LEU 17 2.095 -7.845 -22.101 290 HD23 LEU 17 2HD2 LEU 17 0.838 -6.932 -22.885 291 H VAL 18 H VAL 18 2.989 -3.786 -18.588 292 HA VAL 18 HA VAL 18 3.974 -1.940 -20.681 293 HB VAL 18 HB VAL 18 2.239 -1.374 -18.923 294 HG11 VAL 18 1HG1 VAL 18 2.790 -0.728 -16.704 295 HG12 VAL 18 2HG1 VAL 18 3.568 -2.317 -16.958 296 HG13 VAL 18 3HG1 VAL 18 4.560 -0.818 -17.037 297 HG21 VAL 18 3HG2 VAL 18 3.006 0.986 -18.598 298 HG22 VAL 18 1HG2 VAL 18 4.629 0.498 -19.173 299 HG23 VAL 18 2HG2 VAL 18 3.216 0.385 -20.273 300 H CYS 19 H CYS 19 5.507 -3.700 -18.033 301 HA CYS 19 HA CYS 19 7.940 -2.044 -18.199 302 HB2 CYS 19 1HB CYS 19 6.971 -3.155 -16.127 303 HB3 CYS 19 2HB CYS 19 7.286 -4.720 -16.872 304 H GLY 20 H GLY 20 6.765 -5.145 -19.531 305 HA2 GLY 20 1HA GLY 20 7.673 -5.989 -21.598 306 HA3 GLY 20 2HA GLY 20 9.206 -5.185 -21.247 307 H GLU 21 H GLU 21 9.391 -7.627 -22.118 308 HA GLU 21 HA GLU 21 9.251 -9.765 -20.273 309 HB2 GLU 21 1HB GLU 21 11.102 -9.264 -22.650 310 HB3 GLU 21 2HB GLU 21 11.011 -10.790 -21.794 311 HG2 GLU 21 1HG GLU 21 8.664 -11.006 -22.375 312 HG3 GLU 21 2HG GLU 21 8.717 -9.482 -23.270 313 HE2 GLU 21 HE2 GLU 21 10.251 -12.823 -24.739 314 H ARG 22 H ARG 22 11.492 -7.146 -20.312 315 HA ARG 22 HA ARG 22 13.778 -8.400 -19.152 316 HB2 ARG 22 1HB ARG 22 14.253 -6.024 -18.333 317 HB3 ARG 22 2HB ARG 22 14.204 -6.303 -20.073 318 HG2 ARG 22 1HG ARG 22 11.666 -5.340 -18.732 319 HG3 ARG 22 2HG ARG 22 13.024 -4.183 -18.799 320 HD2 ARG 22 1HD ARG 22 12.467 -5.659 -21.319 321 HD3 ARG 22 2HD ARG 22 11.188 -4.576 -20.769 322 HE ARG 22 HE ARG 22 13.965 -3.855 -21.576 323 HH11 ARG 22 1HH1 ARG 22 10.764 -2.710 -20.459 324 HH12 ARG 22 2HH1 ARG 22 11.230 -0.996 -20.736 325 HH21 ARG 22 1HH2 ARG 22 14.444 -1.739 -21.860 326 HH22 ARG 22 2HH2 ARG 22 13.293 -0.442 -21.543 327 H GLY 23 H GLY 23 10.685 -7.497 -17.777 328 HA2 GLY 23 1HA GLY 23 9.860 -8.257 -15.772 329 HA3 GLY 23 2HA GLY 23 11.498 -8.727 -15.289 330 H PHE 24 H PHE 24 9.864 -7.405 -13.471 331 HA PHE 24 HA PHE 24 10.775 -4.562 -13.486 332 HB2 PHE 24 1HB PHE 24 9.050 -4.565 -11.485 333 HB3 PHE 24 2HB PHE 24 8.562 -4.401 -13.175 334 HD1 PHE 24 HD1 PHE 24 7.594 -6.367 -14.397 335 HD2 PHE 24 HD2 PHE 24 8.332 -6.495 -10.156 336 HE1 PHE 24 HE1 PHE 24 6.039 -8.313 -14.168 337 HE2 PHE 24 HE2 PHE 24 6.864 -8.454 -9.908 338 HZ PHE 24 HZ PHE 24 5.650 -9.351 -11.877 339 H PHE 25 H PHE 25 10.308 -7.364 -11.192 340 HA PHE 25 HA PHE 25 12.762 -6.561 -9.789 341 HB2 PHE 25 1HB PHE 25 10.517 -5.367 -8.935 342 HB3 PHE 25 2HB PHE 25 10.472 -6.867 -7.981 343 HD1 PHE 25 HD2 PHE 25 12.374 -3.714 -8.606 344 HD2 PHE 25 HD1 PHE 25 12.119 -7.342 -6.210 345 HE1 PHE 25 HE2 PHE 25 14.053 -2.828 -7.006 346 HE2 PHE 25 HE1 PHE 25 13.914 -6.386 -4.691 347 HZ PHE 25 HZ PHE 25 14.867 -4.166 -5.119 348 H TYR 26 H TYR 26 13.153 -8.059 -7.946 349 HA TYR 26 HA TYR 26 12.783 -10.855 -8.640 350 HB2 TYR 26 1HB TYR 26 13.720 -9.552 -6.029 351 HB3 TYR 26 2HB TYR 26 14.112 -11.196 -6.598 352 HD1 TYR 26 HD2 TYR 26 15.365 -11.362 -8.885 353 HD2 TYR 26 HD1 TYR 26 15.255 -7.812 -6.467 354 HE1 TYR 26 HE2 TYR 26 17.427 -10.492 -10.065 355 HE2 TYR 26 HE1 TYR 26 17.240 -6.914 -7.715 356 HH TYR 26 HH TYR 26 18.882 -8.715 -10.289 357 H THR 27 H THR 27 12.362 -12.041 -6.055 358 HA THR 27 HA THR 27 9.454 -11.466 -5.835 359 HB THR 27 HB THR 27 9.449 -13.686 -4.653 360 HG1 THR 27 HG1 THR 27 11.501 -13.859 -4.013 361 HG21 THR 27 1HG2 THR 27 10.063 -14.954 -6.870 362 HG22 THR 27 2HG2 THR 27 10.472 -13.350 -7.511 363 HG23 THR 27 3HG2 THR 27 8.806 -13.691 -6.944 364 H LYS 28 H LYS 28 9.275 -9.761 -4.380 365 HA LYS 28 HA LYS 28 10.292 -10.273 -1.618 366 HB2 LYS 28 1HB LYS 28 9.705 -7.587 -2.962 367 HB3 LYS 28 2HB LYS 28 10.086 -7.780 -1.245 368 HG2 LYS 28 1HG LYS 28 12.314 -8.911 -2.192 369 HG3 LYS 28 2HG LYS 28 11.831 -8.026 -3.674 370 HD2 LYS 28 1HD LYS 28 12.325 -6.783 -0.926 371 HD3 LYS 28 2HD LYS 28 13.449 -6.722 -2.320 372 HE2 LYS 28 1HE LYS 28 11.648 -5.423 -3.624 373 HE3 LYS 28 2HE LYS 28 10.604 -5.517 -2.229 374 HZ1 LYS 28 3HZ LYS 28 11.744 -3.905 -1.075 375 HZ2 LYS 28 1HZ LYS 28 11.923 -3.388 -2.590 376 HZ3 LYS 28 2HZ LYS 28 13.166 -4.212 -1.879 377 HA PRO 29 HA PRO 29 5.955 -10.068 -0.705 378 HB2 PRO 29 1HB PRO 29 5.805 -9.159 1.834 379 HB3 PRO 29 2HB PRO 29 6.411 -10.796 1.428 380 HG2 PRO 29 1HG PRO 29 7.976 -8.268 2.053 381 HG3 PRO 29 2HG PRO 29 8.194 -9.918 2.701 382 HD2 PRO 29 1HD PRO 29 9.728 -8.966 0.585 383 HD3 PRO 29 2HD PRO 29 9.291 -10.681 0.756 384 H THR 30 H THR 30 5.303 -8.415 -2.126 385 HA THR 30 HA THR 30 5.680 -5.576 -1.442 386 HB THR 30 HB THR 30 5.921 -5.994 -3.708 387 HG1 THR 30 HG1 THR 30 4.505 -4.409 -4.033 388 HG21 THR 30 1HG2 THR 30 4.434 -7.370 -5.151 389 HG22 THR 30 2HG2 THR 30 3.561 -7.880 -3.736 390 HG23 THR 30 3HG2 THR 30 5.293 -8.271 -3.988 391 HXT THR 30 H02 THR 30 2.723 -4.739 -0.161 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 2.277 -2.931 -0.764 2 H2 GLY 1 2H GLY 1 3.824 -2.875 -0.842 3 HA2 GLY 1 1HA GLY 1 2.631 -0.708 -0.484 4 HA3 GLY 1 2HA GLY 1 3.929 -0.725 -1.679 5 H ILE 2 H ILE 2 2.965 -1.850 -3.748 6 HA ILE 2 HA ILE 2 1.687 0.384 -5.018 7 HB ILE 2 HB ILE 2 1.749 -2.399 -6.245 8 HG12 ILE 2 1HG1 ILE 2 3.998 -0.384 -6.274 9 HG13 ILE 2 2HG1 ILE 2 3.997 -1.938 -5.421 10 HG21 ILE 2 1HG2 ILE 2 1.720 -1.179 -8.397 11 HG22 ILE 2 2HG2 ILE 2 0.468 -0.500 -7.378 12 HG23 ILE 2 3HG2 ILE 2 1.986 0.358 -7.545 13 HD11 ILE 2 3HD1 ILE 2 3.935 -1.523 -8.462 14 HD12 ILE 2 1HD1 ILE 2 5.288 -2.133 -7.534 15 HD13 ILE 2 2HD1 ILE 2 3.799 -3.105 -7.661 16 H VAL 3 H VAL 3 0.626 -2.888 -4.014 17 HA VAL 3 HA VAL 3 -2.053 -2.668 -5.213 18 HB VAL 3 HB VAL 3 -0.915 -4.838 -4.490 19 HG11 VAL 3 1HG1 VAL 3 -0.040 -3.998 -2.208 20 HG12 VAL 3 2HG1 VAL 3 -1.714 -4.265 -1.593 21 HG13 VAL 3 3HG1 VAL 3 -0.754 -5.629 -2.249 22 HG21 VAL 3 3HG2 VAL 3 -3.348 -4.696 -4.948 23 HG22 VAL 3 1HG2 VAL 3 -2.977 -5.922 -3.714 24 HG23 VAL 3 2HG2 VAL 3 -3.637 -4.371 -3.225 25 H GLU 4 H GLU 4 -0.685 -1.725 -2.014 26 HA GLU 4 HA GLU 4 -3.169 -1.013 -0.816 27 HB2 GLU 4 1HB GLU 4 -0.939 -1.235 0.366 28 HB3 GLU 4 2HB GLU 4 -0.477 0.284 -0.348 29 HG2 GLU 4 1HG GLU 4 -1.232 0.862 1.809 30 HG3 GLU 4 2HG GLU 4 -2.571 1.305 0.705 31 HE2 GLU 4 HE2 GLU 4 -4.729 -0.719 2.268 32 H GLN 5 H GLN 5 -0.786 1.034 -2.620 33 HA GLN 5 HA GLN 5 -2.341 3.433 -2.508 34 HB2 GLN 5 1HB GLN 5 -0.013 3.192 -2.928 35 HB3 GLN 5 2HB GLN 5 -0.284 2.537 -4.568 36 HG2 GLN 5 1HG GLN 5 -1.475 5.171 -3.879 37 HG3 GLN 5 2HG GLN 5 0.248 5.089 -4.254 38 HE21 GLN 5 2HE2 GLN 5 -2.172 6.257 -5.636 39 HE22 GLN 5 1HE2 GLN 5 -2.162 5.615 -7.235 40 H CYS 6 H CYS 6 -2.178 0.872 -4.976 41 HA CYS 6 HA CYS 6 -3.782 2.459 -6.824 42 HB2 CYS 6 1HB CYS 6 -1.580 1.288 -7.331 43 HB3 CYS 6 2HB CYS 6 -2.487 -0.207 -7.454 44 H CYS 7 H CYS 7 -4.398 -0.630 -5.026 45 HA CYS 7 HA CYS 7 -6.545 -1.443 -6.764 46 HB2 CYS 7 1HB CYS 7 -5.501 -2.916 -5.030 47 HB3 CYS 7 2HB CYS 7 -6.159 -1.912 -3.756 48 H THR 8 H THR 8 -6.221 0.909 -4.241 49 HA THR 8 HA THR 8 -9.101 1.266 -3.900 50 HB THR 8 HB THR 8 -7.401 1.434 -1.976 51 HG1 THR 8 HG1 THR 8 -8.665 3.027 -0.968 52 HG21 THR 8 1HG2 THR 8 -6.975 4.219 -3.098 53 HG22 THR 8 2HG2 THR 8 -5.752 2.927 -3.069 54 HG23 THR 8 3HG2 THR 8 -6.383 3.586 -1.581 55 H SER 9 H SER 9 -7.075 2.210 -6.286 56 HA SER 9 HA SER 9 -8.653 4.614 -6.839 57 HB2 SER 9 1HB SER 9 -6.671 5.875 -7.477 58 HB3 SER 9 2HB SER 9 -6.447 5.344 -5.824 59 HG SER 9 HG SER 9 -4.922 4.070 -6.320 60 H ILE 10 H ILE 10 -7.340 5.233 -9.247 61 HA ILE 10 HA ILE 10 -7.899 2.749 -10.881 62 HB ILE 10 HB ILE 10 -7.987 5.675 -11.794 63 HG12 ILE 10 1HG1 ILE 10 -9.939 5.112 -10.394 64 HG13 ILE 10 2HG1 ILE 10 -10.410 5.346 -12.073 65 HG21 ILE 10 1HG2 ILE 10 -9.046 4.690 -13.913 66 HG22 ILE 10 2HG2 ILE 10 -7.325 4.285 -13.710 67 HG23 ILE 10 3HG2 ILE 10 -8.576 3.064 -13.332 68 HD11 ILE 10 3HD1 ILE 10 -10.554 2.863 -12.430 69 HD12 ILE 10 1HD1 ILE 10 -10.227 2.609 -10.714 70 HD13 ILE 10 2HD1 ILE 10 -11.704 3.472 -11.234 71 H CYS 11 H CYS 11 -5.613 5.356 -10.388 72 HA CYS 11 HA CYS 11 -3.480 5.776 -11.064 73 HB2 CYS 11 1HB CYS 11 -3.206 2.779 -11.700 74 HB3 CYS 11 2HB CYS 11 -1.967 3.955 -11.239 75 H SER 12 H SER 12 -1.829 4.547 -12.979 76 HA SER 12 HA SER 12 -3.266 4.313 -15.544 77 HB2 SER 12 1HB SER 12 -2.023 6.105 -16.638 78 HB3 SER 12 2HB SER 12 -2.969 6.838 -15.324 79 HG SER 12 HG SER 12 -1.111 7.623 -14.800 80 H LEU 13 H LEU 13 -1.920 3.588 -17.199 81 HA LEU 13 HA LEU 13 0.282 1.902 -16.541 82 HB2 LEU 13 1HB LEU 13 -0.410 3.109 -19.182 83 HB3 LEU 13 2HB LEU 13 0.783 1.766 -18.963 84 HG LEU 13 HG LEU 13 -2.119 1.595 -18.192 85 HD11 LEU 13 1HD1 LEU 13 -1.642 1.639 -20.719 86 HD12 LEU 13 2HD1 LEU 13 -2.427 0.159 -20.094 87 HD13 LEU 13 3HD1 LEU 13 -0.692 0.079 -20.453 88 HD21 LEU 13 3HD2 LEU 13 -1.540 -0.946 -18.061 89 HD22 LEU 13 1HD2 LEU 13 -1.021 0.135 -16.687 90 HD23 LEU 13 2HD2 LEU 13 0.124 -0.395 -17.891 91 H TYR 14 H TYR 14 0.249 5.395 -17.321 92 HA TYR 14 HA TYR 14 3.015 5.663 -17.558 93 HB2 TYR 14 1HB TYR 14 1.199 7.288 -18.299 94 HB3 TYR 14 2HB TYR 14 1.005 7.696 -16.632 95 HD1 TYR 14 HD2 TYR 14 3.529 7.894 -19.305 96 HD2 TYR 14 HD1 TYR 14 2.344 9.067 -15.420 97 HE1 TYR 14 HE2 TYR 14 5.787 8.912 -18.619 98 HE2 TYR 14 HE1 TYR 14 4.029 10.784 -15.348 99 HH TYR 14 HH TYR 14 6.617 11.076 -17.075 100 H GLN 15 H GLN 15 0.959 5.785 -14.599 101 HA GLN 15 HA GLN 15 3.231 6.470 -12.999 102 HB2 GLN 15 1HB GLN 15 0.573 5.115 -12.422 103 HB3 GLN 15 2HB GLN 15 1.806 5.411 -11.168 104 HG2 GLN 15 1HG GLN 15 1.741 7.814 -11.759 105 HG3 GLN 15 2HG GLN 15 0.370 7.505 -12.867 106 HE21 GLN 15 2HE2 GLN 15 1.285 8.132 -9.634 107 HE22 GLN 15 1HE2 GLN 15 -0.292 7.892 -8.915 108 H LEU 16 H LEU 16 1.673 3.419 -13.986 109 HA LEU 16 HA LEU 16 3.203 1.747 -12.307 110 HB2 LEU 16 1HB LEU 16 1.565 1.509 -14.726 111 HB3 LEU 16 2HB LEU 16 2.845 0.274 -14.685 112 HG LEU 16 HG LEU 16 1.985 -0.541 -12.543 113 HD11 LEU 16 1HD1 LEU 16 0.838 1.576 -11.728 114 HD12 LEU 16 2HD1 LEU 16 -0.170 0.102 -11.633 115 HD13 LEU 16 3HD1 LEU 16 -0.420 1.286 -12.948 116 HD21 LEU 16 3HD2 LEU 16 0.026 -1.647 -13.427 117 HD22 LEU 16 1HD2 LEU 16 1.303 -1.521 -14.642 118 HD23 LEU 16 2HD2 LEU 16 -0.111 -0.406 -14.709 119 H GLU 17 H GLU 17 4.106 3.146 -15.448 120 HA GLU 17 HA GLU 17 6.527 1.555 -15.924 121 HB2 GLU 17 1HB GLU 17 5.965 4.534 -16.370 122 HB3 GLU 17 2HB GLU 17 7.368 3.666 -16.982 123 HG2 GLU 17 1HG GLU 17 6.205 2.335 -18.451 124 HG3 GLU 17 2HG GLU 17 4.639 2.878 -17.818 125 HE2 GLU 17 HE2 GLU 17 6.719 3.248 -20.089 126 H ASN 18 H ASN 18 5.933 3.862 -13.308 127 HA ASN 18 HA ASN 18 8.740 4.524 -13.005 128 HB2 ASN 18 1HB ASN 18 6.355 4.723 -11.048 129 HB3 ASN 18 2HB ASN 18 7.980 5.267 -10.626 130 HD21 ASN 18 2HD2 ASN 18 5.279 6.617 -11.079 131 HD22 ASN 18 1HD2 ASN 18 5.718 7.959 -12.125 132 H TYR 19 H TYR 19 6.846 1.686 -12.183 133 HA TYR 19 HA TYR 19 8.792 0.946 -10.039 134 HB2 TYR 19 1HB TYR 19 6.385 -0.545 -11.277 135 HB3 TYR 19 2HB TYR 19 7.281 -1.082 -9.869 136 HD1 TYR 19 HD2 TYR 19 7.172 -0.016 -7.685 137 HD2 TYR 19 HD1 TYR 19 4.796 1.464 -10.982 138 HE1 TYR 19 HE2 TYR 19 5.697 1.400 -6.088 139 HE2 TYR 19 HE1 TYR 19 3.525 2.843 -9.433 140 HH TYR 19 HH TYR 19 4.083 2.923 -5.935 141 H CYS 20 H CYS 20 8.636 0.931 -13.393 142 HA CYS 20 HA CYS 20 9.784 -1.739 -13.817 143 HB2 CYS 20 1HB CYS 20 8.051 -0.922 -15.345 144 HB3 CYS 20 2HB CYS 20 9.072 0.466 -15.763 145 H ASN 21 H ASN 21 11.776 -2.173 -14.216 146 HA ASN 21 HA ASN 21 13.844 0.006 -14.077 147 HB2 ASN 21 1HB ASN 21 13.894 -3.024 -14.306 148 HB3 ASN 21 2HB ASN 21 15.388 -2.068 -14.525 149 HD21 ASN 21 2HD2 ASN 21 14.370 -3.977 -12.381 150 HD22 ASN 21 1HD2 ASN 21 14.710 -3.083 -10.968 151 HXT ASN 21 H02 ASN 21 12.574 0.700 -15.788 152 H1 PHE 1 1H PHE 1 -7.222 -1.231 -25.196 153 H2 PHE 1 2H PHE 1 -8.646 -2.093 -24.990 154 HA PHE 1 HA PHE 1 -7.711 -2.964 -22.795 155 HB2 PHE 1 1HB PHE 1 -5.655 -0.719 -23.450 156 HB3 PHE 1 2HB PHE 1 -5.863 -1.488 -21.895 157 HD1 PHE 1 HD2 PHE 1 -4.768 -2.003 -25.390 158 HD2 PHE 1 HD1 PHE 1 -4.992 -3.744 -21.467 159 HE1 PHE 1 HE2 PHE 1 -3.203 -3.754 -26.144 160 HE2 PHE 1 HE1 PHE 1 -3.421 -5.592 -22.262 161 HZ PHE 1 HZ PHE 1 -2.523 -5.568 -24.591 162 H VAL 2 H VAL 2 -8.366 -1.982 -20.925 163 HA VAL 2 HA VAL 2 -9.198 0.875 -21.078 164 HB VAL 2 HB VAL 2 -11.186 -0.313 -21.841 165 HG11 VAL 2 1HG1 VAL 2 -11.190 -1.795 -19.178 166 HG12 VAL 2 2HG1 VAL 2 -12.416 -1.945 -20.469 167 HG13 VAL 2 3HG1 VAL 2 -10.738 -2.526 -20.744 168 HG21 VAL 2 3HG2 VAL 2 -11.486 0.839 -19.074 169 HG22 VAL 2 1HG2 VAL 2 -11.726 1.668 -20.628 170 HG23 VAL 2 2HG2 VAL 2 -12.872 0.412 -20.099 171 H ASN 3 H ASN 3 -9.120 1.982 -19.084 172 HA ASN 3 HA ASN 3 -7.646 0.440 -17.023 173 HB2 ASN 3 1HB ASN 3 -7.066 2.830 -18.142 174 HB3 ASN 3 2HB ASN 3 -7.959 3.319 -16.711 175 HD21 ASN 3 2HD2 ASN 3 -7.278 1.875 -14.641 176 HD22 ASN 3 1HD2 ASN 3 -5.547 1.828 -14.418 177 H GLN 4 H GLN 4 -8.444 -0.208 -15.284 178 HA GLN 4 HA GLN 4 -10.846 1.174 -14.045 179 HB2 GLN 4 1HB GLN 4 -11.464 -1.017 -15.374 180 HB3 GLN 4 2HB GLN 4 -10.469 -1.870 -14.170 181 HG2 GLN 4 1HG GLN 4 -12.967 -1.867 -13.739 182 HG3 GLN 4 2HG GLN 4 -11.937 -1.406 -12.419 183 HE21 GLN 4 2HE2 GLN 4 -14.091 -0.275 -14.992 184 HE22 GLN 4 1HE2 GLN 4 -14.546 1.224 -14.171 185 H HIS 5 H HIS 5 -10.750 -0.252 -11.670 186 HA HIS 5 HA HIS 5 -8.380 0.516 -10.348 187 HB2 HIS 5 1HB HIS 5 -10.211 -1.830 -9.696 188 HB3 HIS 5 2HB HIS 5 -9.236 -0.955 -8.521 189 HD1 HIS 5 HD1 HIS 5 -10.047 1.598 -8.076 190 HD2 HIS 5 HD2 HIS 5 -12.745 -0.928 -10.087 191 HE1 HIS 5 HE1 HIS 5 -12.312 2.704 -7.898 192 HE2 HIS 5 H01 HIS 5 -13.962 1.269 -9.242 193 H LEU 6 H LEU 6 -6.492 -0.614 -9.770 194 HA LEU 6 HA LEU 6 -6.139 -3.201 -11.257 195 HB2 LEU 6 1HB LEU 6 -4.170 -1.038 -10.532 196 HB3 LEU 6 2HB LEU 6 -3.713 -2.610 -11.256 197 HG LEU 6 HG LEU 6 -5.491 -0.660 -12.708 198 HD11 LEU 6 1HD1 LEU 6 -3.472 0.592 -12.427 199 HD12 LEU 6 2HD1 LEU 6 -3.337 -0.115 -14.057 200 HD13 LEU 6 3HD1 LEU 6 -2.452 -0.809 -12.695 201 HD21 LEU 6 3HD2 LEU 6 -5.516 -3.043 -13.340 202 HD22 LEU 6 1HD2 LEU 6 -3.804 -2.844 -13.806 203 HD23 LEU 6 2HD2 LEU 6 -5.070 -1.902 -14.617 204 H CYS 7 H CYS 7 -6.581 -4.699 -9.766 205 HA CYS 7 HA CYS 7 -5.104 -4.487 -7.143 206 HB2 CYS 7 1HB CYS 7 -7.719 -5.997 -7.740 207 HB3 CYS 7 2HB CYS 7 -6.945 -5.839 -6.158 208 H AIB 8 H AIB 8 -4.690 -6.523 -6.197 209 HB11 AIB 8 1HB1 AIB 8 -5.474 -8.909 -5.577 210 HB12 AIB 8 3HB1 AIB 8 -4.451 -10.281 -6.054 211 HB13 AIB 8 1HB2 AIB 8 -5.722 -9.667 -7.250 212 HB21 AIB 8 3HB2 AIB 8 -3.199 -7.873 -4.910 213 HB22 AIB 8 2HB1 AIB 8 -1.979 -7.581 -6.194 214 HB23 AIB 8 2HB2 AIB 8 -2.334 -9.245 -5.640 215 H SER 9 H SER 9 -4.146 -10.608 -8.331 216 HA SER 9 HA SER 9 -1.870 -10.766 -9.771 217 HB2 SER 9 1HB SER 9 -3.684 -12.616 -9.550 218 HB3 SER 9 2HB SER 9 -4.536 -11.727 -10.832 219 HG SER 9 HG SER 9 -3.152 -13.575 -11.432 220 H HIS 10 H HIS 10 -4.825 -9.072 -10.793 221 HA HIS 10 HA HIS 10 -3.966 -8.644 -13.558 222 HB2 HIS 10 1HB HIS 10 -6.061 -7.339 -11.759 223 HB3 HIS 10 2HB HIS 10 -5.709 -6.692 -13.375 224 HD1 HIS 10 HD1 HIS 10 -6.215 -8.212 -15.489 225 HD2 HIS 10 HD2 HIS 10 -7.627 -9.662 -11.802 226 HE1 HIS 10 HE1 HIS 10 -7.903 -10.067 -16.031 227 HE2 HIS 10 H01 HIS 10 -8.790 -10.875 -13.784 228 H LEU 11 H LEU 11 -3.552 -6.806 -10.553 229 HA LEU 11 HA LEU 11 -2.302 -4.557 -11.753 230 HB2 LEU 11 1HB LEU 11 -3.030 -4.435 -9.419 231 HB3 LEU 11 2HB LEU 11 -1.906 -5.729 -8.973 232 HG LEU 11 HG LEU 11 0.003 -4.320 -9.433 233 HD11 LEU 11 1HD1 LEU 11 -0.174 -1.908 -9.761 234 HD12 LEU 11 2HD1 LEU 11 -1.949 -2.002 -9.910 235 HD13 LEU 11 3HD1 LEU 11 -0.882 -2.716 -11.136 236 HD21 LEU 11 3HD2 LEU 11 -0.431 -2.709 -7.562 237 HD22 LEU 11 1HD2 LEU 11 -0.842 -4.427 -7.252 238 HD23 LEU 11 2HD2 LEU 11 -2.136 -3.228 -7.596 239 H VAL 12 H VAL 12 -0.917 -7.651 -10.607 240 HA VAL 12 HA VAL 12 1.756 -7.022 -11.253 241 HB VAL 12 HB VAL 12 0.433 -9.744 -11.027 242 HG11 VAL 12 1HG1 VAL 12 2.730 -10.647 -10.523 243 HG12 VAL 12 2HG1 VAL 12 2.609 -10.035 -12.172 244 HG13 VAL 12 3HG1 VAL 12 3.390 -9.085 -10.942 245 HG21 VAL 12 3HG2 VAL 12 1.973 -8.230 -8.964 246 HG22 VAL 12 1HG2 VAL 12 0.208 -8.423 -8.973 247 HG23 VAL 12 2HG2 VAL 12 1.259 -9.848 -8.746 248 H GLU 13 H GLU 13 -0.851 -8.698 -13.137 249 HA GLU 13 HA GLU 13 0.790 -9.268 -15.387 250 HB2 GLU 13 1HB GLU 13 -2.138 -8.966 -14.884 251 HB3 GLU 13 2HB GLU 13 -1.554 -9.017 -16.541 252 HG2 GLU 13 1HG GLU 13 -1.769 -11.265 -16.313 253 HG3 GLU 13 2HG GLU 13 -0.247 -11.155 -15.481 254 HE2 GLU 13 HE2 GLU 13 -1.668 -12.458 -12.718 255 H ALA 14 H ALA 14 -1.110 -6.316 -14.554 256 HA ALA 14 HA ALA 14 -0.596 -4.990 -17.022 257 HB1 ALA 14 3HB ALA 14 -1.107 -3.886 -14.265 258 HB2 ALA 14 1HB ALA 14 -1.367 -3.033 -15.802 259 HB3 ALA 14 2HB ALA 14 -2.354 -4.454 -15.409 260 H LEU 15 H LEU 15 1.224 -5.104 -13.967 261 HA LEU 15 HA LEU 15 3.204 -3.165 -14.633 262 HB2 LEU 15 1HB LEU 15 3.153 -5.604 -12.894 263 HB3 LEU 15 2HB LEU 15 4.639 -4.696 -13.056 264 HG LEU 15 HG LEU 15 2.130 -3.253 -12.253 265 HD11 LEU 15 1HD1 LEU 15 2.563 -3.624 -9.928 266 HD12 LEU 15 2HD1 LEU 15 4.016 -4.567 -10.257 267 HD13 LEU 15 3HD1 LEU 15 2.416 -5.202 -10.690 268 HD21 LEU 15 3HD2 LEU 15 3.768 -1.752 -11.145 269 HD22 LEU 15 1HD2 LEU 15 4.184 -1.932 -12.854 270 HD23 LEU 15 2HD2 LEU 15 5.089 -2.830 -11.607 271 H TYR 16 H TYR 16 2.918 -6.675 -15.210 272 HA TYR 16 HA TYR 16 5.597 -6.954 -16.316 273 HB2 TYR 16 1HB TYR 16 4.332 -8.841 -15.284 274 HB3 TYR 16 2HB TYR 16 3.099 -8.792 -16.525 275 HD1 TYR 16 HD1 TYR 16 6.953 -8.862 -16.416 276 HD2 TYR 16 HD2 TYR 16 3.323 -10.464 -18.189 277 HE1 TYR 16 HE1 TYR 16 8.300 -10.429 -17.774 278 HE2 TYR 16 HE2 TYR 16 4.684 -12.071 -19.525 279 HH TYR 16 HH TYR 16 6.851 -12.800 -20.038 280 H LEU 17 H LEU 17 2.389 -6.596 -17.822 281 HA LEU 17 HA LEU 17 3.400 -6.789 -20.452 282 HB2 LEU 17 1HB LEU 17 0.962 -5.499 -19.228 283 HB3 LEU 17 2HB LEU 17 1.224 -5.527 -20.995 284 HG LEU 17 HG LEU 17 1.100 -8.015 -19.237 285 HD11 LEU 17 1HD1 LEU 17 -1.214 -8.285 -19.944 286 HD12 LEU 17 2HD1 LEU 17 -1.177 -6.670 -20.773 287 HD13 LEU 17 3HD1 LEU 17 -0.988 -6.845 -18.979 288 HD21 LEU 17 3HD2 LEU 17 2.151 -8.552 -21.242 289 HD22 LEU 17 1HD2 LEU 17 1.020 -7.577 -22.233 290 HD23 LEU 17 2HD2 LEU 17 0.479 -9.059 -21.432 291 H VAL 18 H VAL 18 2.793 -3.885 -18.381 292 HA VAL 18 HA VAL 18 3.536 -2.121 -20.601 293 HB VAL 18 HB VAL 18 2.051 -1.419 -18.596 294 HG11 VAL 18 1HG1 VAL 18 3.520 -2.360 -16.759 295 HG12 VAL 18 2HG1 VAL 18 4.745 -1.094 -17.108 296 HG13 VAL 18 3HG1 VAL 18 3.122 -0.620 -16.525 297 HG21 VAL 18 3HG2 VAL 18 2.868 0.916 -18.467 298 HG22 VAL 18 1HG2 VAL 18 4.442 0.418 -19.169 299 HG23 VAL 18 2HG2 VAL 18 2.947 0.306 -20.125 300 H CYS 19 H CYS 19 5.402 -3.629 -17.980 301 HA CYS 19 HA CYS 19 7.720 -2.041 -18.504 302 HB2 CYS 19 1HB CYS 19 7.069 -3.059 -16.343 303 HB3 CYS 19 2HB CYS 19 7.368 -4.687 -17.034 304 H GLY 20 H GLY 20 6.645 -5.299 -19.477 305 HA2 GLY 20 1HA GLY 20 7.486 -6.387 -21.415 306 HA3 GLY 20 2HA GLY 20 8.924 -5.380 -21.449 307 H GLU 21 H GLU 21 10.479 -7.029 -21.344 308 HA GLU 21 HA GLU 21 10.301 -8.993 -19.097 309 HB2 GLU 21 1HB GLU 21 12.293 -8.773 -21.310 310 HB3 GLU 21 2HB GLU 21 12.136 -10.148 -20.190 311 HG2 GLU 21 1HG GLU 21 9.784 -10.509 -21.066 312 HG3 GLU 21 2HG GLU 21 10.207 -9.352 -22.366 313 HE2 GLU 21 HE2 GLU 21 11.001 -12.873 -23.089 314 H ARG 22 H ARG 22 11.360 -5.887 -19.305 315 HA ARG 22 HA ARG 22 14.099 -6.052 -18.402 316 HB2 ARG 22 1HB ARG 22 12.110 -3.725 -18.253 317 HB3 ARG 22 2HB ARG 22 13.836 -3.616 -17.878 318 HG2 ARG 22 1HG ARG 22 14.163 -2.993 -20.021 319 HG3 ARG 22 2HG ARG 22 13.813 -4.718 -20.439 320 HD2 ARG 22 1HD ARG 22 11.376 -4.128 -20.563 321 HD3 ARG 22 2HD ARG 22 11.849 -2.467 -20.253 322 HE ARG 22 HE ARG 22 13.360 -3.177 -22.420 323 HH11 ARG 22 1HH1 ARG 22 9.841 -2.959 -21.638 324 HH12 ARG 22 2HH1 ARG 22 9.401 -2.566 -23.317 325 HH21 ARG 22 1HH2 ARG 22 12.685 -2.690 -24.499 326 HH22 ARG 22 2HH2 ARG 22 11.056 -2.415 -24.879 327 H GLY 23 H GLY 23 11.062 -6.152 -16.600 328 HA2 GLY 23 1HA GLY 23 11.039 -7.128 -14.468 329 HA3 GLY 23 2HA GLY 23 12.677 -6.542 -14.159 330 H PHE 24 H PHE 24 10.083 -6.361 -12.593 331 HA PHE 24 HA PHE 24 10.238 -3.380 -12.144 332 HB2 PHE 24 1HB PHE 24 7.801 -3.292 -11.754 333 HB3 PHE 24 2HB PHE 24 8.193 -3.678 -13.429 334 HD1 PHE 24 HD2 PHE 24 6.890 -5.037 -10.294 335 HD2 PHE 24 HD1 PHE 24 7.691 -5.711 -14.443 336 HE1 PHE 24 HE2 PHE 24 5.460 -7.081 -10.180 337 HE2 PHE 24 HE1 PHE 24 6.157 -7.768 -14.386 338 HZ PHE 24 HZ PHE 24 5.033 -8.389 -12.304 339 H PHE 25 H PHE 25 9.496 -2.839 -9.985 340 HA PHE 25 HA PHE 25 10.204 -5.037 -8.125 341 HB2 PHE 25 1HB PHE 25 11.812 -3.043 -8.714 342 HB3 PHE 25 2HB PHE 25 10.891 -2.213 -7.459 343 HD1 PHE 25 HD2 PHE 25 12.879 -5.262 -8.298 344 HD2 PHE 25 HD1 PHE 25 11.477 -2.729 -5.165 345 HE1 PHE 25 HE2 PHE 25 14.309 -6.508 -6.665 346 HE2 PHE 25 HE1 PHE 25 12.820 -3.899 -3.502 347 HZ PHE 25 HZ PHE 25 14.305 -5.844 -4.279 348 H TYR 26 H TYR 26 9.797 -4.129 -5.660 349 HA TYR 26 HA TYR 26 8.281 -3.822 -3.990 350 HB2 TYR 26 1HB TYR 26 7.858 -1.610 -5.571 351 HB3 TYR 26 2HB TYR 26 6.280 -2.342 -5.589 352 HD1 TYR 26 HD1 TYR 26 6.729 -3.471 -2.585 353 HD2 TYR 26 HD2 TYR 26 7.102 0.388 -4.409 354 HE1 TYR 26 HE1 TYR 26 6.316 -2.412 -0.365 355 HE2 TYR 26 HE2 TYR 26 6.706 1.471 -2.155 356 HH TYR 26 HH TYR 26 6.354 1.137 0.062 357 H THR 27 H THR 27 7.874 -5.851 -6.301 358 HA THR 27 HA THR 27 5.589 -7.232 -5.060 359 HB THR 27 HB THR 27 5.266 -7.815 -7.732 360 HG1 THR 27 HG1 THR 27 6.131 -5.148 -7.495 361 HG21 THR 27 1HG2 THR 27 3.893 -5.388 -6.558 362 HG22 THR 27 2HG2 THR 27 3.490 -7.081 -6.105 363 HG23 THR 27 3HG2 THR 27 3.252 -6.533 -7.742 364 H LYS 28 H LYS 28 6.040 -9.484 -5.500 365 HA LYS 28 HA LYS 28 8.847 -10.015 -6.413 366 HB2 LYS 28 1HB LYS 28 7.091 -11.248 -4.182 367 HB3 LYS 28 2HB LYS 28 8.635 -11.971 -4.746 368 HG2 LYS 28 1HG LYS 28 9.751 -9.688 -4.201 369 HG3 LYS 28 2HG LYS 28 8.262 -9.248 -3.359 370 HD2 LYS 28 1HD LYS 28 8.497 -11.210 -1.921 371 HD3 LYS 28 2HD LYS 28 9.996 -11.659 -2.758 372 HE2 LYS 28 1HE LYS 28 10.639 -10.473 -0.710 373 HE3 LYS 28 2HE LYS 28 11.014 -9.444 -2.091 374 HZ1 LYS 28 3HZ LYS 28 8.945 -8.253 -1.668 375 HZ2 LYS 28 1HZ LYS 28 10.022 -8.091 -0.459 376 HZ3 LYS 28 2HZ LYS 28 8.751 -9.113 -0.224 377 HA PRO 29 HA PRO 29 7.145 -12.744 -9.332 378 HB2 PRO 29 1HB PRO 29 9.194 -14.438 -9.815 379 HB3 PRO 29 2HB PRO 29 9.280 -12.678 -10.197 380 HG2 PRO 29 1HG PRO 29 10.330 -14.188 -7.773 381 HG3 PRO 29 2HG PRO 29 11.228 -12.990 -8.796 382 HD2 PRO 29 1HD PRO 29 9.996 -12.334 -6.440 383 HD3 PRO 29 2HD PRO 29 10.148 -11.193 -7.796 384 H THR 30 H THR 30 5.582 -13.544 -7.873 385 HA THR 30 HA THR 30 5.743 -15.880 -6.230 386 HB THR 30 HB THR 30 3.808 -14.585 -5.761 387 HG1 THR 30 HG1 THR 30 3.336 -16.942 -6.189 388 HG21 THR 30 1HG2 THR 30 2.134 -14.041 -7.710 389 HG22 THR 30 2HG2 THR 30 3.464 -14.315 -8.814 390 HG23 THR 30 3HG2 THR 30 3.588 -13.086 -7.596 391 HXT THR 30 H02 THR 30 5.824 -18.429 -8.225 Start of MODEL 21 1 H1 GLY 1 1H GLY 1 3.741 -1.973 -0.784 2 H2 GLY 1 2H GLY 1 4.890 -0.845 -0.562 3 HA2 GLY 1 1HA GLY 1 2.516 -0.049 -0.072 4 HA3 GLY 1 2HA GLY 1 3.515 0.989 -1.157 5 H ILE 2 H ILE 2 3.112 -1.622 -2.763 6 HA ILE 2 HA ILE 2 1.857 -0.354 -4.889 7 HB ILE 2 HB ILE 2 1.616 -3.417 -4.498 8 HG12 ILE 2 1HG1 ILE 2 3.997 -1.811 -5.510 9 HG13 ILE 2 2HG1 ILE 2 3.887 -2.650 -3.948 10 HG21 ILE 2 1HG2 ILE 2 2.083 -1.733 -7.010 11 HG22 ILE 2 2HG2 ILE 2 1.630 -3.429 -6.927 12 HG23 ILE 2 3HG2 ILE 2 0.464 -2.157 -6.484 13 HD11 ILE 2 3HD1 ILE 2 3.897 -3.953 -6.701 14 HD12 ILE 2 1HD1 ILE 2 5.085 -4.113 -5.394 15 HD13 ILE 2 2HD1 ILE 2 3.453 -4.771 -5.178 16 H VAL 3 H VAL 3 0.218 -2.646 -2.602 17 HA VAL 3 HA VAL 3 -2.316 -2.381 -3.886 18 HB VAL 3 HB VAL 3 -1.734 -4.256 -2.339 19 HG11 VAL 3 1HG1 VAL 3 -1.590 -4.041 0.068 20 HG12 VAL 3 2HG1 VAL 3 -0.590 -2.752 -0.550 21 HG13 VAL 3 3HG1 VAL 3 -2.206 -2.411 0.026 22 HG21 VAL 3 3HG2 VAL 3 -4.031 -3.857 -2.915 23 HG22 VAL 3 1HG2 VAL 3 -3.931 -4.389 -1.224 24 HG23 VAL 3 2HG2 VAL 3 -4.189 -2.663 -1.615 25 H GLU 4 H GLU 4 -0.782 -0.498 -1.307 26 HA GLU 4 HA GLU 4 -3.032 1.035 -0.515 27 HB2 GLU 4 1HB GLU 4 -0.375 0.591 0.260 28 HB3 GLU 4 2HB GLU 4 -0.350 2.260 -0.343 29 HG2 GLU 4 1HG GLU 4 -1.967 2.978 1.251 30 HG3 GLU 4 2HG GLU 4 -2.494 1.307 1.563 31 HE2 GLU 4 HE2 GLU 4 -1.636 3.451 3.175 32 H GLN 5 H GLN 5 -0.550 1.473 -3.150 33 HA GLN 5 HA GLN 5 -1.523 4.238 -3.648 34 HB2 GLN 5 1HB GLN 5 0.894 3.466 -3.960 35 HB3 GLN 5 2HB GLN 5 0.336 2.464 -5.311 36 HG2 GLN 5 1HG GLN 5 -0.487 4.622 -6.435 37 HG3 GLN 5 2HG GLN 5 0.201 5.554 -5.096 38 HE21 GLN 5 2HE2 GLN 5 0.642 4.608 -8.201 39 HE22 GLN 5 1HE2 GLN 5 2.403 4.740 -8.309 40 H CYS 6 H CYS 6 -1.891 1.012 -5.145 41 HA CYS 6 HA CYS 6 -3.462 2.246 -7.342 42 HB2 CYS 6 1HB CYS 6 -1.450 0.055 -7.134 43 HB3 CYS 6 2HB CYS 6 -2.719 -0.148 -8.368 44 H CYS 7 H CYS 7 -3.986 -0.095 -4.805 45 HA CYS 7 HA CYS 7 -6.188 -1.292 -6.366 46 HB2 CYS 7 1HB CYS 7 -4.712 -2.788 -5.168 47 HB3 CYS 7 2HB CYS 7 -5.166 -2.051 -3.648 48 H THR 8 H THR 8 -5.683 0.393 -3.221 49 HA THR 8 HA THR 8 -8.562 0.557 -2.756 50 HB THR 8 HB THR 8 -6.879 0.596 -0.881 51 HG1 THR 8 HG1 THR 8 -8.752 2.642 -1.214 52 HG21 THR 8 1HG2 THR 8 -5.829 2.798 -0.327 53 HG22 THR 8 2HG2 THR 8 -6.379 3.437 -1.896 54 HG23 THR 8 3HG2 THR 8 -5.222 2.073 -1.845 55 H SER 9 H SER 9 -6.456 2.246 -4.812 56 HA SER 9 HA SER 9 -8.457 4.401 -5.135 57 HB2 SER 9 1HB SER 9 -5.413 4.708 -5.446 58 HB3 SER 9 2HB SER 9 -6.657 5.995 -5.616 59 HG SER 9 HG SER 9 -7.276 5.390 -3.421 60 H ILE 10 H ILE 10 -7.802 5.458 -7.537 61 HA ILE 10 HA ILE 10 -7.896 3.168 -9.461 62 HB ILE 10 HB ILE 10 -7.975 6.205 -9.887 63 HG12 ILE 10 1HG1 ILE 10 -10.025 5.552 -8.745 64 HG13 ILE 10 2HG1 ILE 10 -10.421 5.845 -10.423 65 HG21 ILE 10 1HG2 ILE 10 -8.400 3.849 -11.825 66 HG22 ILE 10 2HG2 ILE 10 -8.827 5.527 -12.255 67 HG23 ILE 10 3HG2 ILE 10 -7.136 5.064 -11.930 68 HD11 ILE 10 3HD1 ILE 10 -11.617 3.884 -9.582 69 HD12 ILE 10 1HD1 ILE 10 -10.528 3.448 -10.923 70 HD13 ILE 10 2HD1 ILE 10 -10.088 3.056 -9.234 71 H CYS 11 H CYS 11 -6.151 2.330 -10.323 72 HA CYS 11 HA CYS 11 -3.596 3.760 -10.134 73 HB2 CYS 11 1HB CYS 11 -4.072 1.267 -9.598 74 HB3 CYS 11 2HB CYS 11 -4.263 1.076 -11.335 75 H SER 12 H SER 12 -2.196 3.797 -12.076 76 HA SER 12 HA SER 12 -3.636 3.794 -14.648 77 HB2 SER 12 1HB SER 12 -1.869 6.091 -13.704 78 HB3 SER 12 2HB SER 12 -2.692 5.979 -15.309 79 HG SER 12 HG SER 12 -4.166 5.806 -12.906 80 H LEU 13 H LEU 13 -2.389 3.518 -16.520 81 HA LEU 13 HA LEU 13 -0.036 1.919 -16.238 82 HB2 LEU 13 1HB LEU 13 -1.414 3.429 -18.510 83 HB3 LEU 13 2HB LEU 13 0.185 2.689 -18.786 84 HG LEU 13 HG LEU 13 -2.207 1.251 -17.610 85 HD11 LEU 13 1HD1 LEU 13 -1.401 1.229 -20.521 86 HD12 LEU 13 2HD1 LEU 13 -2.637 2.243 -19.921 87 HD13 LEU 13 3HD1 LEU 13 -2.790 0.576 -19.757 88 HD21 LEU 13 3HD2 LEU 13 -1.025 -0.783 -18.446 89 HD22 LEU 13 1HD2 LEU 13 -0.031 0.024 -17.234 90 HD23 LEU 13 2HD2 LEU 13 0.384 0.172 -18.942 91 H TYR 14 H TYR 14 -0.259 5.648 -16.503 92 HA TYR 14 HA TYR 14 2.576 5.877 -16.948 93 HB2 TYR 14 1HB TYR 14 0.793 7.601 -17.315 94 HB3 TYR 14 2HB TYR 14 0.581 7.735 -15.546 95 HD1 TYR 14 HD2 TYR 14 3.144 7.995 -18.257 96 HD2 TYR 14 HD1 TYR 14 2.023 9.140 -14.394 97 HE1 TYR 14 HE2 TYR 14 5.456 8.840 -17.515 98 HE2 TYR 14 HE1 TYR 14 3.813 10.702 -14.129 99 HH TYR 14 HH TYR 14 6.043 11.557 -16.733 100 H GLN 15 H GLN 15 0.612 5.615 -14.055 101 HA GLN 15 HA GLN 15 2.850 6.132 -12.231 102 HB2 GLN 15 1HB GLN 15 0.251 4.684 -11.865 103 HB3 GLN 15 2HB GLN 15 1.387 5.093 -10.529 104 HG2 GLN 15 1HG GLN 15 0.918 7.476 -10.929 105 HG3 GLN 15 2HG GLN 15 -0.193 6.994 -12.250 106 HE21 GLN 15 2HE2 GLN 15 -0.304 8.098 -9.180 107 HE22 GLN 15 1HE2 GLN 15 -1.625 7.111 -8.572 108 H LEU 16 H LEU 16 1.349 3.263 -13.813 109 HA LEU 16 HA LEU 16 2.748 1.275 -12.354 110 HB2 LEU 16 1HB LEU 16 1.146 1.432 -14.783 111 HB3 LEU 16 2HB LEU 16 2.400 0.201 -14.916 112 HG LEU 16 HG LEU 16 0.314 0.371 -12.663 113 HD11 LEU 16 1HD1 LEU 16 -0.780 -1.525 -13.712 114 HD12 LEU 16 2HD1 LEU 16 0.431 -1.575 -14.989 115 HD13 LEU 16 3HD1 LEU 16 -0.692 -0.185 -14.851 116 HD21 LEU 16 3HD2 LEU 16 2.332 -0.696 -11.896 117 HD22 LEU 16 1HD2 LEU 16 2.339 -1.754 -13.318 118 HD23 LEU 16 2HD2 LEU 16 1.055 -1.902 -12.114 119 H GLU 17 H GLU 17 3.766 3.190 -15.187 120 HA GLU 17 HA GLU 17 6.088 1.664 -15.862 121 HB2 GLU 17 1HB GLU 17 5.571 4.617 -15.981 122 HB3 GLU 17 2HB GLU 17 7.001 3.864 -16.693 123 HG2 GLU 17 1HG GLU 17 5.675 2.584 -18.190 124 HG3 GLU 17 2HG GLU 17 4.164 3.149 -17.452 125 HE2 GLU 17 HE2 GLU 17 5.903 5.284 -20.191 126 H ASN 18 H ASN 18 5.485 3.791 -13.120 127 HA ASN 18 HA ASN 18 8.291 4.266 -12.591 128 HB2 ASN 18 1HB ASN 18 5.924 4.333 -10.734 129 HB3 ASN 18 2HB ASN 18 7.494 4.935 -10.351 130 HD21 ASN 18 2HD2 ASN 18 5.023 6.357 -10.386 131 HD22 ASN 18 1HD2 ASN 18 5.124 7.675 -11.598 132 H TYR 19 H TYR 19 6.436 1.379 -12.217 133 HA TYR 19 HA TYR 19 8.085 0.428 -9.935 134 HB2 TYR 19 1HB TYR 19 5.802 -0.831 -11.461 135 HB3 TYR 19 2HB TYR 19 6.680 -1.656 -10.156 136 HD1 TYR 19 HD1 TYR 19 4.320 1.034 -11.068 137 HD2 TYR 19 HD2 TYR 19 6.186 -0.975 -7.773 138 HE1 TYR 19 HE1 TYR 19 2.605 2.072 -9.462 139 HE2 TYR 19 HE2 TYR 19 4.581 0.093 -6.176 140 HH TYR 19 HH TYR 19 1.894 2.245 -7.258 141 H CYS 20 H CYS 20 8.475 0.899 -13.086 142 HA CYS 20 HA CYS 20 10.418 -1.346 -13.340 143 HB2 CYS 20 1HB CYS 20 8.559 -2.179 -14.600 144 HB3 CYS 20 2HB CYS 20 8.185 -0.582 -15.274 145 H ASN 21 H ASN 21 9.405 1.017 -15.775 146 HA ASN 21 HA ASN 21 12.075 2.216 -15.659 147 HB2 ASN 21 1HB ASN 21 11.476 3.138 -17.848 148 HB3 ASN 21 2HB ASN 21 11.391 1.400 -17.860 149 HD21 ASN 21 2HD2 ASN 21 10.129 3.992 -19.217 150 HD22 ASN 21 1HD2 ASN 21 8.479 3.569 -19.309 151 HXT ASN 21 H02 ASN 21 10.780 4.872 -13.880 152 H1 PHE 1 1H PHE 1 -4.157 -2.723 -21.439 153 H2 PHE 1 2H PHE 1 -4.085 -1.140 -21.295 154 HA PHE 1 HA PHE 1 -5.823 -2.940 -19.860 155 HB2 PHE 1 1HB PHE 1 -3.146 -2.145 -19.297 156 HB3 PHE 1 2HB PHE 1 -4.205 -1.525 -18.096 157 HD1 PHE 1 HD1 PHE 1 -5.465 -3.006 -16.540 158 HD2 PHE 1 HD2 PHE 1 -2.692 -4.680 -19.490 159 HE1 PHE 1 HE1 PHE 1 -5.594 -5.214 -15.445 160 HE2 PHE 1 HE2 PHE 1 -2.887 -6.852 -18.278 161 HZ PHE 1 HZ PHE 1 -4.222 -7.089 -16.267 162 H VAL 2 H VAL 2 -7.309 -2.519 -18.486 163 HA VAL 2 HA VAL 2 -8.507 0.153 -18.687 164 HB VAL 2 HB VAL 2 -9.358 -2.272 -17.055 165 HG11 VAL 2 1HG1 VAL 2 -11.514 -1.144 -16.824 166 HG12 VAL 2 2HG1 VAL 2 -10.216 -0.156 -16.137 167 HG13 VAL 2 3HG1 VAL 2 -10.879 0.287 -17.728 168 HG21 VAL 2 3HG2 VAL 2 -9.566 -2.891 -19.404 169 HG22 VAL 2 1HG2 VAL 2 -11.193 -2.401 -18.888 170 HG23 VAL 2 2HG2 VAL 2 -10.223 -1.291 -19.841 171 H ASN 3 H ASN 3 -7.946 1.813 -17.510 172 HA ASN 3 HA ASN 3 -6.202 1.397 -15.146 173 HB2 ASN 3 1HB ASN 3 -7.280 3.954 -16.432 174 HB3 ASN 3 2HB ASN 3 -6.109 3.921 -15.091 175 HD21 ASN 3 2HD2 ASN 3 -6.223 4.358 -18.290 176 HD22 ASN 3 1HD2 ASN 3 -4.584 3.854 -18.690 177 H GLN 4 H GLN 4 -7.568 0.454 -13.656 178 HA GLN 4 HA GLN 4 -9.582 2.245 -12.412 179 HB2 GLN 4 1HB GLN 4 -10.329 0.169 -13.955 180 HB3 GLN 4 2HB GLN 4 -10.257 -0.639 -12.397 181 HG2 GLN 4 1HG GLN 4 -11.815 1.020 -11.460 182 HG3 GLN 4 2HG GLN 4 -11.803 1.928 -12.978 183 HE21 GLN 4 2HE2 GLN 4 -13.476 1.526 -14.345 184 HE22 GLN 4 1HE2 GLN 4 -14.425 0.027 -14.347 185 H HIS 5 H HIS 5 -10.172 0.074 -10.350 186 HA HIS 5 HA HIS 5 -7.926 0.253 -8.596 187 HB2 HIS 5 1HB HIS 5 -10.365 -1.530 -8.557 188 HB3 HIS 5 2HB HIS 5 -9.236 -1.326 -7.186 189 HD1 HIS 5 HD1 HIS 5 -9.148 1.232 -6.194 190 HD2 HIS 5 HD2 HIS 5 -12.451 0.295 -8.589 191 HE1 HIS 5 HE1 HIS 5 -10.871 3.065 -5.756 192 HE2 HIS 5 H01 HIS 5 -12.863 2.462 -7.240 193 H LEU 6 H LEU 6 -6.132 -0.672 -9.684 194 HA LEU 6 HA LEU 6 -6.397 -3.404 -10.761 195 HB2 LEU 6 1HB LEU 6 -4.047 -1.518 -10.470 196 HB3 LEU 6 2HB LEU 6 -3.876 -3.150 -11.093 197 HG LEU 6 HG LEU 6 -5.630 -1.056 -12.387 198 HD11 LEU 6 1HD1 LEU 6 -3.859 -1.046 -14.147 199 HD12 LEU 6 2HD1 LEU 6 -2.867 -2.052 -13.141 200 HD13 LEU 6 3HD1 LEU 6 -3.291 -0.414 -12.576 201 HD21 LEU 6 3HD2 LEU 6 -4.755 -3.832 -13.293 202 HD22 LEU 6 1HD2 LEU 6 -5.570 -2.647 -14.324 203 HD23 LEU 6 2HD2 LEU 6 -6.404 -3.347 -12.885 204 H CYS 7 H CYS 7 -6.615 -4.929 -9.307 205 HA CYS 7 HA CYS 7 -4.716 -4.997 -6.970 206 HB2 CYS 7 1HB CYS 7 -7.531 -6.150 -7.023 207 HB3 CYS 7 2HB CYS 7 -6.457 -5.955 -5.640 208 H AIB 8 H AIB 8 -4.660 -7.420 -6.083 209 HB11 AIB 8 1HB1 AIB 8 -6.549 -9.602 -6.976 210 HB12 AIB 8 3HB1 AIB 8 -5.702 -11.040 -7.563 211 HB13 AIB 8 1HB2 AIB 8 -6.044 -9.701 -8.635 212 HB21 AIB 8 3HB2 AIB 8 -2.817 -9.386 -5.786 213 HB22 AIB 8 2HB1 AIB 8 -3.548 -10.968 -6.198 214 HB23 AIB 8 2HB2 AIB 8 -4.434 -9.773 -5.148 215 H SER 9 H SER 9 -4.195 -11.160 -9.008 216 HA SER 9 HA SER 9 -1.513 -10.530 -10.088 217 HB2 SER 9 1HB SER 9 -1.826 -12.287 -11.634 218 HB3 SER 9 2HB SER 9 -2.530 -12.866 -10.122 219 HG SER 9 HG SER 9 -4.002 -13.268 -11.840 220 H HIS 10 H HIS 10 -4.557 -9.095 -10.716 221 HA HIS 10 HA HIS 10 -4.222 -8.702 -13.539 222 HB2 HIS 10 1HB HIS 10 -5.649 -7.020 -11.480 223 HB3 HIS 10 2HB HIS 10 -5.736 -6.696 -13.235 224 HD1 HIS 10 HD1 HIS 10 -6.100 -9.570 -14.297 225 HD2 HIS 10 HD2 HIS 10 -8.040 -8.111 -10.893 226 HE1 HIS 10 HE1 HIS 10 -8.210 -10.949 -14.042 227 HE2 HIS 10 H01 HIS 10 -9.445 -10.087 -12.017 228 H LEU 11 H LEU 11 -3.252 -6.777 -10.759 229 HA LEU 11 HA LEU 11 -2.097 -4.570 -12.221 230 HB2 LEU 11 1HB LEU 11 -2.586 -4.613 -9.782 231 HB3 LEU 11 2HB LEU 11 -1.219 -5.744 -9.502 232 HG LEU 11 HG LEU 11 -0.550 -3.249 -10.994 233 HD11 LEU 11 1HD1 LEU 11 -0.538 -1.888 -8.904 234 HD12 LEU 11 2HD1 LEU 11 -1.513 -3.147 -8.124 235 HD13 LEU 11 3HD1 LEU 11 -2.152 -2.287 -9.516 236 HD21 LEU 11 3HD2 LEU 11 1.245 -4.778 -10.269 237 HD22 LEU 11 1HD2 LEU 11 0.725 -4.699 -8.633 238 HD23 LEU 11 2HD2 LEU 11 1.417 -3.251 -9.386 239 H VAL 12 H VAL 12 -0.739 -7.708 -11.031 240 HA VAL 12 HA VAL 12 1.970 -7.157 -11.690 241 HB VAL 12 HB VAL 12 0.609 -9.881 -11.470 242 HG11 VAL 12 1HG1 VAL 12 2.885 -9.876 -12.555 243 HG12 VAL 12 2HG1 VAL 12 3.571 -9.130 -11.127 244 HG13 VAL 12 3HG1 VAL 12 2.877 -10.754 -11.022 245 HG21 VAL 12 3HG2 VAL 12 1.651 -8.050 -9.388 246 HG22 VAL 12 1HG2 VAL 12 0.162 -8.973 -9.460 247 HG23 VAL 12 2HG2 VAL 12 1.668 -9.807 -9.159 248 H GLU 13 H GLU 13 -0.707 -8.786 -13.491 249 HA GLU 13 HA GLU 13 0.835 -9.459 -15.842 250 HB2 GLU 13 1HB GLU 13 -1.376 -10.328 -15.274 251 HB3 GLU 13 2HB GLU 13 -2.067 -8.716 -15.456 252 HG2 GLU 13 1HG GLU 13 -1.389 -8.740 -17.923 253 HG3 GLU 13 2HG GLU 13 -0.788 -10.389 -17.716 254 HE2 GLU 13 HE2 GLU 13 -4.451 -9.737 -18.626 255 H ALA 14 H ALA 14 -0.966 -6.480 -14.893 256 HA ALA 14 HA ALA 14 -0.516 -5.174 -17.388 257 HB1 ALA 14 3HB ALA 14 -0.957 -3.965 -14.623 258 HB2 ALA 14 1HB ALA 14 -1.115 -3.091 -16.195 259 HB3 ALA 14 2HB ALA 14 -2.251 -4.396 -15.814 260 H LEU 15 H LEU 15 1.414 -5.225 -14.367 261 HA LEU 15 HA LEU 15 3.375 -3.346 -15.295 262 HB2 LEU 15 1HB LEU 15 3.149 -3.934 -12.948 263 HB3 LEU 15 2HB LEU 15 3.576 -5.630 -13.299 264 HG LEU 15 HG LEU 15 5.883 -4.990 -13.801 265 HD11 LEU 15 1HD1 LEU 15 6.700 -2.689 -13.089 266 HD12 LEU 15 2HD1 LEU 15 4.999 -2.175 -13.115 267 HD13 LEU 15 3HD1 LEU 15 5.735 -2.728 -14.603 268 HD21 LEU 15 3HD2 LEU 15 4.852 -5.493 -11.490 269 HD22 LEU 15 1HD2 LEU 15 5.112 -3.766 -11.124 270 HD23 LEU 15 2HD2 LEU 15 6.496 -4.820 -11.535 271 H TYR 16 H TYR 16 3.219 -6.972 -15.543 272 HA TYR 16 HA TYR 16 5.819 -7.291 -16.776 273 HB2 TYR 16 1HB TYR 16 4.402 -9.099 -15.841 274 HB3 TYR 16 2HB TYR 16 3.224 -8.854 -17.100 275 HD1 TYR 16 HD1 TYR 16 6.787 -9.956 -16.414 276 HD2 TYR 16 HD2 TYR 16 3.586 -9.929 -19.268 277 HE1 TYR 16 HE1 TYR 16 7.994 -11.650 -17.780 278 HE2 TYR 16 HE2 TYR 16 4.805 -11.543 -20.687 279 HH TYR 16 HH TYR 16 6.677 -12.843 -20.869 280 H LEU 17 H LEU 17 2.613 -6.499 -18.071 281 HA LEU 17 HA LEU 17 3.372 -6.776 -20.830 282 HB2 LEU 17 1HB LEU 17 1.109 -5.283 -19.523 283 HB3 LEU 17 2HB LEU 17 1.401 -5.319 -21.287 284 HG LEU 17 HG LEU 17 0.868 -7.793 -19.618 285 HD11 LEU 17 1HD1 LEU 17 -1.084 -6.519 -19.544 286 HD12 LEU 17 2HD1 LEU 17 -1.300 -7.867 -20.627 287 HD13 LEU 17 3HD1 LEU 17 -1.077 -6.267 -21.320 288 HD21 LEU 17 3HD2 LEU 17 0.893 -7.362 -22.657 289 HD22 LEU 17 1HD2 LEU 17 0.540 -8.881 -21.779 290 HD23 LEU 17 2HD2 LEU 17 2.156 -8.160 -21.671 291 H VAL 18 H VAL 18 3.226 -3.933 -18.638 292 HA VAL 18 HA VAL 18 4.060 -2.179 -20.797 293 HB VAL 18 HB VAL 18 2.553 -1.513 -18.832 294 HG11 VAL 18 1HG1 VAL 18 5.167 -0.969 -17.299 295 HG12 VAL 18 2HG1 VAL 18 3.527 -0.683 -16.743 296 HG13 VAL 18 3HG1 VAL 18 4.070 -2.303 -16.938 297 HG21 VAL 18 3HG2 VAL 18 4.906 0.346 -19.425 298 HG22 VAL 18 1HG2 VAL 18 3.439 0.127 -20.404 299 HG23 VAL 18 2HG2 VAL 18 3.326 0.828 -18.771 300 H CYS 19 H CYS 19 5.766 -3.880 -18.228 301 HA CYS 19 HA CYS 19 8.198 -2.301 -18.652 302 HB2 CYS 19 1HB CYS 19 7.438 -3.341 -16.471 303 HB3 CYS 19 2HB CYS 19 7.749 -4.902 -17.178 304 H GLY 20 H GLY 20 6.922 -5.480 -19.737 305 HA2 GLY 20 1HA GLY 20 7.805 -6.047 -22.070 306 HA3 GLY 20 2HA GLY 20 9.414 -5.725 -21.386 307 H GLU 21 H GLU 21 8.957 -8.207 -22.656 308 HA GLU 21 HA GLU 21 8.127 -10.170 -20.779 309 HB2 GLU 21 1HB GLU 21 9.859 -10.431 -23.237 310 HB3 GLU 21 2HB GLU 21 9.218 -11.787 -22.270 311 HG2 GLU 21 1HG GLU 21 6.943 -11.052 -22.724 312 HG3 GLU 21 2HG GLU 21 7.615 -9.715 -23.728 313 HE2 GLU 21 HE2 GLU 21 7.380 -13.317 -25.167 314 H ARG 22 H ARG 22 10.748 -8.192 -20.586 315 HA ARG 22 HA ARG 22 12.781 -10.175 -19.834 316 HB2 ARG 22 1HB ARG 22 13.974 -7.813 -19.296 317 HB3 ARG 22 2HB ARG 22 13.919 -8.511 -20.916 318 HG2 ARG 22 1HG ARG 22 11.691 -6.573 -20.097 319 HG3 ARG 22 2HG ARG 22 13.306 -5.909 -20.314 320 HD2 ARG 22 1HD ARG 22 11.864 -7.497 -22.411 321 HD3 ARG 22 2HD ARG 22 11.969 -5.753 -22.411 322 HE ARG 22 HE ARG 22 14.589 -6.386 -22.248 323 HH11 ARG 22 1HH1 ARG 22 12.143 -7.448 -24.536 324 HH12 ARG 22 2HH1 ARG 22 13.290 -7.829 -25.786 325 HH21 ARG 22 1HH2 ARG 22 16.022 -6.835 -23.906 326 HH22 ARG 22 2HH2 ARG 22 15.399 -7.469 -25.401 327 H GLY 23 H GLY 23 10.074 -8.773 -18.336 328 HA2 GLY 23 1HA GLY 23 9.532 -9.165 -16.106 329 HA3 GLY 23 2HA GLY 23 11.256 -9.538 -15.705 330 H PHE 24 H PHE 24 10.633 -8.032 -13.841 331 HA PHE 24 HA PHE 24 11.201 -5.229 -14.790 332 HB2 PHE 24 1HB PHE 24 9.760 -4.791 -12.548 333 HB3 PHE 24 2HB PHE 24 9.090 -4.842 -14.183 334 HD1 PHE 24 HD2 PHE 24 9.329 -6.758 -10.972 335 HD2 PHE 24 HD1 PHE 24 7.644 -6.578 -14.938 336 HE1 PHE 24 HE2 PHE 24 7.798 -8.513 -10.383 337 HE2 PHE 24 HE1 PHE 24 5.972 -8.352 -14.306 338 HZ PHE 24 HZ PHE 24 6.029 -9.272 -12.061 339 H PHE 25 H PHE 25 11.798 -7.698 -12.426 340 HA PHE 25 HA PHE 25 13.889 -6.068 -11.149 341 HB2 PHE 25 1HB PHE 25 11.383 -5.472 -10.271 342 HB3 PHE 25 2HB PHE 25 11.829 -6.804 -9.134 343 HD1 PHE 25 HD2 PHE 25 13.111 -3.595 -10.517 344 HD2 PHE 25 HD1 PHE 25 13.082 -6.302 -7.224 345 HE1 PHE 25 HE2 PHE 25 14.596 -1.958 -9.248 346 HE2 PHE 25 HE1 PHE 25 14.388 -4.716 -5.873 347 HZ PHE 25 HZ PHE 25 15.147 -2.529 -6.901 348 H TYR 26 H TYR 26 14.044 -7.409 -8.786 349 HA TYR 26 HA TYR 26 14.897 -9.264 -7.765 350 HB2 TYR 26 1HB TYR 26 12.591 -10.207 -8.445 351 HB3 TYR 26 2HB TYR 26 13.413 -11.033 -9.749 352 HD1 TYR 26 HD2 TYR 26 14.072 -10.506 -6.018 353 HD2 TYR 26 HD1 TYR 26 13.877 -13.309 -9.314 354 HE1 TYR 26 HE2 TYR 26 14.613 -12.396 -4.484 355 HE2 TYR 26 HE1 TYR 26 14.431 -15.187 -7.696 356 HH TYR 26 HH TYR 26 14.838 -15.815 -5.567 357 H THR 27 H THR 27 16.696 -8.050 -9.183 358 HA THR 27 HA THR 27 18.385 -10.205 -10.396 359 HB THR 27 HB THR 27 19.053 -7.901 -11.811 360 HG1 THR 27 HG1 THR 27 17.296 -6.724 -12.107 361 HG21 THR 27 1HG2 THR 27 16.924 -9.909 -12.778 362 HG22 THR 27 2HG2 THR 27 18.674 -10.285 -12.731 363 HG23 THR 27 3HG2 THR 27 18.080 -8.988 -13.792 364 H LYS 28 H LYS 28 19.401 -10.167 -8.396 365 HA LYS 28 HA LYS 28 19.945 -7.824 -6.891 366 HB2 LYS 28 1HB LYS 28 19.818 -10.231 -6.122 367 HB3 LYS 28 2HB LYS 28 21.424 -10.494 -6.784 368 HG2 LYS 28 1HG LYS 28 22.282 -8.746 -5.247 369 HG3 LYS 28 2HG LYS 28 20.690 -8.676 -4.470 370 HD2 LYS 28 1HD LYS 28 20.826 -11.127 -3.930 371 HD3 LYS 28 2HD LYS 28 22.461 -11.187 -4.639 372 HE2 LYS 28 1HE LYS 28 23.372 -9.659 -2.999 373 HE3 LYS 28 2HE LYS 28 21.723 -9.495 -2.225 374 HZ1 LYS 28 3HZ LYS 28 21.718 -11.746 -1.543 375 HZ2 LYS 28 1HZ LYS 28 23.242 -11.228 -1.159 376 HZ3 LYS 28 2HZ LYS 28 22.936 -12.194 -2.532 377 HA PRO 29 HA PRO 29 23.685 -6.486 -8.779 378 HB2 PRO 29 1HB PRO 29 24.290 -4.304 -7.215 379 HB3 PRO 29 2HB PRO 29 22.956 -4.330 -8.449 380 HG2 PRO 29 1HG PRO 29 22.885 -4.762 -5.466 381 HG3 PRO 29 2HG PRO 29 21.798 -3.768 -6.491 382 HD2 PRO 29 1HD PRO 29 21.187 -6.334 -5.581 383 HD3 PRO 29 2HD PRO 29 20.511 -5.564 -7.116 384 H THR 30 H THR 30 24.941 -8.272 -8.227 385 HA THR 30 HA THR 30 26.176 -8.576 -5.655 386 HB THR 30 HB THR 30 25.686 -10.506 -6.975 387 HG1 THR 30 HG1 THR 30 28.224 -11.063 -7.284 388 HG21 THR 30 1HG2 THR 30 27.395 -9.234 -9.135 389 HG22 THR 30 2HG2 THR 30 25.728 -9.889 -9.294 390 HG23 THR 30 3HG2 THR 30 27.117 -10.978 -9.045 391 HXT THR 30 H02 THR 30 29.221 -7.242 -6.148 Start of MODEL 22 1 H1 GLY 1 1H GLY 1 5.258 0.029 -0.995 2 H2 GLY 1 2H GLY 1 4.854 1.592 -0.946 3 HA2 GLY 1 1HA GLY 1 3.053 -0.749 -1.256 4 HA3 GLY 1 2HA GLY 1 2.951 0.549 0.035 5 H ILE 2 H ILE 2 3.805 1.755 -2.896 6 HA ILE 2 HA ILE 2 1.324 3.185 -3.298 7 HB ILE 2 HB ILE 2 3.365 2.709 -5.478 8 HG12 ILE 2 1HG1 ILE 2 3.520 4.885 -3.291 9 HG13 ILE 2 2HG1 ILE 2 4.474 3.388 -3.329 10 HG21 ILE 2 1HG2 ILE 2 2.538 4.905 -6.321 11 HG22 ILE 2 2HG2 ILE 2 1.136 3.971 -5.951 12 HG23 ILE 2 3HG2 ILE 2 1.651 5.169 -4.806 13 HD11 ILE 2 3HD1 ILE 2 4.682 5.761 -5.217 14 HD12 ILE 2 1HD1 ILE 2 5.928 5.041 -4.221 15 HD13 ILE 2 2HD1 ILE 2 5.335 4.171 -5.662 16 H VAL 3 H VAL 3 2.529 0.022 -4.241 17 HA VAL 3 HA VAL 3 0.635 -0.472 -6.382 18 HB VAL 3 HB VAL 3 1.030 -2.917 -5.847 19 HG11 VAL 3 1HG1 VAL 3 2.640 -1.672 -7.386 20 HG12 VAL 3 2HG1 VAL 3 3.681 -1.438 -5.951 21 HG13 VAL 3 3HG1 VAL 3 3.345 -3.052 -6.530 22 HG21 VAL 3 3HG2 VAL 3 1.359 -2.716 -3.313 23 HG22 VAL 3 1HG2 VAL 3 2.692 -3.621 -4.144 24 HG23 VAL 3 2HG2 VAL 3 2.947 -1.956 -3.647 25 H GLU 4 H GLU 4 0.410 -0.852 -2.838 26 HA GLU 4 HA GLU 4 -2.225 -2.049 -3.033 27 HB2 GLU 4 1HB GLU 4 -0.540 -2.342 -1.194 28 HB3 GLU 4 2HB GLU 4 -1.020 -0.742 -0.643 29 HG2 GLU 4 1HG GLU 4 -3.275 -1.536 -0.368 30 HG3 GLU 4 2HG GLU 4 -2.758 -3.125 -0.938 31 HE2 GLU 4 HE2 GLU 4 -3.873 -2.695 1.408 32 H GLN 5 H GLN 5 -0.850 1.182 -2.800 33 HA GLN 5 HA GLN 5 -3.287 2.554 -2.080 34 HB2 GLN 5 1HB GLN 5 -0.890 3.438 -1.944 35 HB3 GLN 5 2HB GLN 5 -0.953 3.611 -3.713 36 HG2 GLN 5 1HG GLN 5 -2.800 5.157 -3.471 37 HG3 GLN 5 2HG GLN 5 -2.868 4.908 -1.731 38 HE21 GLN 5 2HE2 GLN 5 -2.630 7.263 -1.741 39 HE22 GLN 5 1HE2 GLN 5 -1.042 7.980 -1.832 40 H CYS 6 H CYS 6 -1.766 1.519 -5.103 41 HA CYS 6 HA CYS 6 -3.658 2.757 -6.856 42 HB2 CYS 6 1HB CYS 6 -1.276 1.113 -7.048 43 HB3 CYS 6 2HB CYS 6 -2.496 0.597 -8.244 44 H CYS 7 H CYS 7 -3.326 -0.465 -5.447 45 HA CYS 7 HA CYS 7 -5.232 -1.936 -6.862 46 HB2 CYS 7 1HB CYS 7 -3.746 -3.038 -5.283 47 HB3 CYS 7 2HB CYS 7 -4.265 -2.016 -3.953 48 H THR 8 H THR 8 -5.760 0.192 -3.978 49 HA THR 8 HA THR 8 -8.637 -0.482 -3.900 50 HB THR 8 HB THR 8 -7.333 -0.123 -1.863 51 HG1 THR 8 HG1 THR 8 -9.310 1.872 -2.114 52 HG21 THR 8 1HG2 THR 8 -6.759 2.137 -1.200 53 HG22 THR 8 2HG2 THR 8 -7.350 2.770 -2.765 54 HG23 THR 8 3HG2 THR 8 -5.944 1.701 -2.693 55 H SER 9 H SER 9 -6.716 1.448 -5.804 56 HA SER 9 HA SER 9 -9.009 3.316 -6.415 57 HB2 SER 9 1HB SER 9 -6.804 4.207 -5.412 58 HB3 SER 9 2HB SER 9 -6.063 3.833 -6.966 59 HG SER 9 HG SER 9 -6.954 6.022 -6.667 60 H ILE 10 H ILE 10 -7.707 4.297 -8.769 61 HA ILE 10 HA ILE 10 -7.655 1.798 -10.543 62 HB ILE 10 HB ILE 10 -8.767 4.598 -11.136 63 HG12 ILE 10 1HG1 ILE 10 -10.624 2.792 -12.016 64 HG13 ILE 10 2HG1 ILE 10 -9.936 1.926 -10.647 65 HG21 ILE 10 1HG2 ILE 10 -8.138 2.223 -13.056 66 HG22 ILE 10 2HG2 ILE 10 -9.085 3.630 -13.583 67 HG23 ILE 10 3HG2 ILE 10 -7.399 3.802 -13.114 68 HD11 ILE 10 3HD1 ILE 10 -12.042 3.477 -10.198 69 HD12 ILE 10 1HD1 ILE 10 -10.715 3.534 -9.032 70 HD13 ILE 10 2HD1 ILE 10 -10.880 4.833 -10.233 71 H CYS 11 H CYS 11 -5.705 1.549 -11.320 72 HA CYS 11 HA CYS 11 -3.712 3.672 -10.899 73 HB2 CYS 11 1HB CYS 11 -3.642 1.022 -10.335 74 HB3 CYS 11 2HB CYS 11 -3.099 0.959 -12.004 75 H SER 12 H SER 12 -2.578 4.660 -12.452 76 HA SER 12 HA SER 12 -3.624 4.209 -15.223 77 HB2 SER 12 1HB SER 12 -2.650 6.408 -15.750 78 HB3 SER 12 2HB SER 12 -3.542 6.515 -14.217 79 HG SER 12 HG SER 12 -1.781 7.441 -13.563 80 H LEU 13 H LEU 13 -2.105 3.797 -17.051 81 HA LEU 13 HA LEU 13 0.068 2.178 -16.467 82 HB2 LEU 13 1HB LEU 13 -0.321 3.696 -18.996 83 HB3 LEU 13 2HB LEU 13 0.798 2.414 -18.769 84 HG LEU 13 HG LEU 13 -2.180 2.020 -18.291 85 HD11 LEU 13 1HD1 LEU 13 -0.676 1.389 -20.891 86 HD12 LEU 13 2HD1 LEU 13 -1.724 2.811 -20.626 87 HD13 LEU 13 3HD1 LEU 13 -2.342 1.152 -20.542 88 HD21 LEU 13 3HD2 LEU 13 -1.046 0.102 -17.308 89 HD22 LEU 13 1HD2 LEU 13 0.131 0.016 -18.640 90 HD23 LEU 13 2HD2 LEU 13 -1.560 -0.397 -18.901 91 H TYR 14 H TYR 14 0.119 5.790 -16.652 92 HA TYR 14 HA TYR 14 2.941 6.063 -16.704 93 HB2 TYR 14 1HB TYR 14 1.308 7.984 -16.878 94 HB3 TYR 14 2HB TYR 14 1.009 7.860 -15.196 95 HD1 TYR 14 HD2 TYR 14 3.858 8.286 -17.580 96 HD2 TYR 14 HD1 TYR 14 2.438 8.745 -13.546 97 HE1 TYR 14 HE2 TYR 14 6.075 8.954 -16.571 98 HE2 TYR 14 HE1 TYR 14 4.269 9.923 -12.899 99 HH TYR 14 HH TYR 14 6.709 10.081 -13.703 100 H GLN 15 H GLN 15 0.658 5.645 -13.943 101 HA GLN 15 HA GLN 15 2.681 5.718 -11.886 102 HB2 GLN 15 1HB GLN 15 -0.033 4.394 -11.962 103 HB3 GLN 15 2HB GLN 15 0.991 4.455 -10.534 104 HG2 GLN 15 1HG GLN 15 0.874 6.862 -10.422 105 HG3 GLN 15 2HG GLN 15 -0.062 6.928 -11.942 106 HE21 GLN 15 2HE2 GLN 15 -0.387 7.221 -8.694 107 HE22 GLN 15 1HE2 GLN 15 -2.063 6.705 -8.594 108 H LEU 16 H LEU 16 1.174 2.983 -13.727 109 HA LEU 16 HA LEU 16 2.398 0.933 -12.218 110 HB2 LEU 16 1HB LEU 16 1.372 1.154 -14.959 111 HB3 LEU 16 2HB LEU 16 2.522 -0.141 -14.648 112 HG LEU 16 HG LEU 16 0.804 -0.375 -12.497 113 HD11 LEU 16 1HD1 LEU 16 -1.508 -0.260 -13.495 114 HD12 LEU 16 2HD1 LEU 16 -0.789 0.351 -15.009 115 HD13 LEU 16 3HD1 LEU 16 -0.705 1.328 -13.491 116 HD21 LEU 16 3HD2 LEU 16 -0.214 -2.313 -13.762 117 HD22 LEU 16 1HD2 LEU 16 1.546 -2.323 -13.742 118 HD23 LEU 16 2HD2 LEU 16 0.655 -1.772 -15.209 119 H GLU 17 H GLU 17 3.781 2.928 -14.853 120 HA GLU 17 HA GLU 17 6.114 1.331 -15.104 121 HB2 GLU 17 1HB GLU 17 5.299 4.055 -15.948 122 HB3 GLU 17 2HB GLU 17 7.040 3.658 -15.982 123 HG2 GLU 17 1HG GLU 17 6.457 1.590 -17.230 124 HG3 GLU 17 2HG GLU 17 4.821 2.231 -17.395 125 HE2 GLU 17 HE2 GLU 17 6.682 3.102 -20.290 126 H ASN 18 H ASN 18 5.238 3.500 -12.567 127 HA ASN 18 HA ASN 18 8.008 4.107 -11.844 128 HB2 ASN 18 1HB ASN 18 7.115 5.393 -10.256 129 HB3 ASN 18 2HB ASN 18 5.546 5.097 -11.025 130 HD21 ASN 18 2HD2 ASN 18 4.155 3.569 -10.086 131 HD22 ASN 18 1HD2 ASN 18 4.399 3.180 -8.362 132 H TYR 19 H TYR 19 6.085 1.299 -11.555 133 HA TYR 19 HA TYR 19 7.763 0.243 -9.332 134 HB2 TYR 19 1HB TYR 19 5.786 -1.245 -11.057 135 HB3 TYR 19 2HB TYR 19 6.372 -1.697 -9.495 136 HD1 TYR 19 HD1 TYR 19 5.963 0.244 -7.615 137 HD2 TYR 19 HD2 TYR 19 3.610 -0.466 -11.122 138 HE1 TYR 19 HE1 TYR 19 3.978 1.370 -6.496 139 HE2 TYR 19 HE2 TYR 19 1.666 0.759 -10.058 140 HH TYR 19 HH TYR 19 0.851 1.767 -8.273 141 H CYS 20 H CYS 20 8.038 0.759 -12.610 142 HA CYS 20 HA CYS 20 9.872 -1.556 -13.058 143 HB2 CYS 20 1HB CYS 20 7.580 -1.494 -14.268 144 HB3 CYS 20 2HB CYS 20 8.282 -0.203 -15.256 145 H ASN 21 H ASN 21 10.497 -0.240 -15.693 146 HA ASN 21 HA ASN 21 12.586 1.445 -14.773 147 HB2 ASN 21 1HB ASN 21 11.671 0.355 -17.352 148 HB3 ASN 21 2HB ASN 21 12.332 1.983 -17.540 149 HD21 ASN 21 2HD2 ASN 21 14.420 2.291 -16.048 150 HD22 ASN 21 1HD2 ASN 21 15.588 1.036 -16.258 151 HXT ASN 21 H02 ASN 21 9.833 3.889 -15.772 152 H1 PHE 1 1H PHE 1 -8.845 -4.718 -22.039 153 H2 PHE 1 2H PHE 1 -7.286 -5.077 -21.753 154 HA PHE 1 HA PHE 1 -7.253 -3.666 -19.797 155 HB2 PHE 1 1HB PHE 1 -8.203 -2.191 -22.299 156 HB3 PHE 1 2HB PHE 1 -7.267 -1.488 -21.038 157 HD1 PHE 1 HD1 PHE 1 -4.947 -2.731 -20.356 158 HD2 PHE 1 HD2 PHE 1 -7.092 -3.023 -24.171 159 HE1 PHE 1 HE1 PHE 1 -2.811 -3.518 -21.496 160 HE2 PHE 1 HE2 PHE 1 -4.888 -3.806 -25.266 161 HZ PHE 1 HZ PHE 1 -2.856 -4.017 -23.913 162 H VAL 2 H VAL 2 -8.269 -2.914 -18.193 163 HA VAL 2 HA VAL 2 -11.177 -2.181 -18.389 164 HB VAL 2 HB VAL 2 -11.354 -2.762 -15.959 165 HG11 VAL 2 1HG1 VAL 2 -12.004 -4.399 -17.594 166 HG12 VAL 2 2HG1 VAL 2 -10.290 -4.944 -17.832 167 HG13 VAL 2 3HG1 VAL 2 -11.102 -5.238 -16.284 168 HG21 VAL 2 3HG2 VAL 2 -9.443 -4.047 -14.869 169 HG22 VAL 2 1HG2 VAL 2 -8.410 -3.686 -16.266 170 HG23 VAL 2 2HG2 VAL 2 -9.011 -2.375 -15.197 171 H ASN 3 H ASN 3 -12.063 -0.548 -17.086 172 HA ASN 3 HA ASN 3 -10.082 1.617 -16.532 173 HB2 ASN 3 1HB ASN 3 -11.883 3.202 -16.846 174 HB3 ASN 3 2HB ASN 3 -11.944 2.110 -18.210 175 HD21 ASN 3 2HD2 ASN 3 -14.070 3.834 -16.927 176 HD22 ASN 3 1HD2 ASN 3 -15.332 2.693 -16.497 177 H GLN 4 H GLN 4 -11.139 -0.755 -14.728 178 HA GLN 4 HA GLN 4 -12.122 0.936 -12.479 179 HB2 GLN 4 1HB GLN 4 -13.378 -1.225 -13.656 180 HB3 GLN 4 2HB GLN 4 -12.453 -1.997 -12.357 181 HG2 GLN 4 1HG GLN 4 -13.525 -0.690 -10.686 182 HG3 GLN 4 2HG GLN 4 -14.189 0.419 -11.884 183 HE21 GLN 4 2HE2 GLN 4 -16.326 0.150 -12.153 184 HE22 GLN 4 1HE2 GLN 4 -17.167 -1.366 -12.058 185 H HIS 5 H HIS 5 -11.672 -1.236 -10.562 186 HA HIS 5 HA HIS 5 -9.015 -0.459 -9.750 187 HB2 HIS 5 1HB HIS 5 -10.561 -2.921 -8.902 188 HB3 HIS 5 2HB HIS 5 -9.122 -2.223 -8.087 189 HD1 HIS 5 HD1 HIS 5 -9.493 0.287 -7.170 190 HD2 HIS 5 HD2 HIS 5 -12.995 -1.811 -8.223 191 HE1 HIS 5 HE1 HIS 5 -11.437 1.465 -6.038 192 HE2 HIS 5 H01 HIS 5 -13.518 0.113 -6.606 193 H LEU 6 H LEU 6 -7.017 -1.357 -9.751 194 HA LEU 6 HA LEU 6 -6.669 -3.921 -11.299 195 HB2 LEU 6 1HB LEU 6 -4.958 -1.363 -11.211 196 HB3 LEU 6 2HB LEU 6 -4.335 -2.901 -11.836 197 HG LEU 6 HG LEU 6 -6.547 -1.310 -13.077 198 HD11 LEU 6 1HD1 LEU 6 -3.671 -1.794 -13.934 199 HD12 LEU 6 2HD1 LEU 6 -4.422 -0.264 -13.506 200 HD13 LEU 6 3HD1 LEU 6 -4.944 -1.111 -14.976 201 HD21 LEU 6 3HD2 LEU 6 -6.988 -3.666 -13.470 202 HD22 LEU 6 1HD2 LEU 6 -5.282 -3.945 -13.943 203 HD23 LEU 6 2HD2 LEU 6 -6.369 -2.941 -14.952 204 H CYS 7 H CYS 7 -6.512 -5.282 -9.688 205 HA CYS 7 HA CYS 7 -4.290 -4.866 -7.710 206 HB2 CYS 7 1HB CYS 7 -6.696 -4.502 -6.907 207 HB3 CYS 7 2HB CYS 7 -6.851 -6.253 -6.943 208 H AIB 8 H AIB 8 -3.437 -6.783 -6.779 209 HB11 AIB 8 1HB1 AIB 8 -5.433 -9.685 -7.439 210 HB12 AIB 8 3HB1 AIB 8 -4.788 -9.155 -5.831 211 HB13 AIB 8 1HB2 AIB 8 -4.202 -10.610 -6.621 212 HB21 AIB 8 3HB2 AIB 8 -1.554 -9.837 -6.861 213 HB22 AIB 8 2HB1 AIB 8 -2.308 -8.941 -5.617 214 HB23 AIB 8 2HB2 AIB 8 -1.392 -8.083 -6.798 215 H SER 9 H SER 9 -4.197 -10.944 -8.940 216 HA SER 9 HA SER 9 -2.232 -11.254 -10.860 217 HB2 SER 9 1HB SER 9 -4.217 -12.728 -10.452 218 HB3 SER 9 2HB SER 9 -5.215 -11.591 -11.358 219 HG SER 9 HG SER 9 -3.542 -11.962 -13.129 220 H HIS 10 H HIS 10 -4.970 -8.919 -11.047 221 HA HIS 10 HA HIS 10 -4.456 -8.459 -13.879 222 HB2 HIS 10 1HB HIS 10 -5.988 -6.819 -11.864 223 HB3 HIS 10 2HB HIS 10 -5.925 -6.492 -13.623 224 HD1 HIS 10 HD1 HIS 10 -6.628 -8.734 -15.168 225 HD2 HIS 10 HD2 HIS 10 -8.121 -8.496 -11.257 226 HE1 HIS 10 HE1 HIS 10 -8.605 -10.284 -15.038 227 HE2 HIS 10 H01 HIS 10 -9.548 -10.103 -12.690 228 H LEU 11 H LEU 11 -3.342 -6.983 -10.832 229 HA LEU 11 HA LEU 11 -2.141 -4.606 -12.113 230 HB2 LEU 11 1HB LEU 11 -2.865 -4.866 -9.670 231 HB3 LEU 11 2HB LEU 11 -1.565 -5.989 -9.447 232 HG LEU 11 HG LEU 11 -1.171 -3.733 -8.523 233 HD11 LEU 11 1HD1 LEU 11 0.708 -5.225 -9.145 234 HD12 LEU 11 2HD1 LEU 11 1.069 -3.467 -9.084 235 HD13 LEU 11 3HD1 LEU 11 0.888 -4.263 -10.647 236 HD21 LEU 11 3HD2 LEU 11 -0.750 -1.797 -9.870 237 HD22 LEU 11 1HD2 LEU 11 -2.321 -2.483 -10.379 238 HD23 LEU 11 2HD2 LEU 11 -0.852 -2.720 -11.384 239 H VAL 12 H VAL 12 -1.021 -7.835 -10.961 240 HA VAL 12 HA VAL 12 1.769 -7.502 -11.678 241 HB VAL 12 HB VAL 12 0.020 -10.027 -11.384 242 HG11 VAL 12 1HG1 VAL 12 1.951 -10.594 -12.733 243 HG12 VAL 12 2HG1 VAL 12 3.037 -9.885 -11.488 244 HG13 VAL 12 3HG1 VAL 12 2.032 -11.326 -11.091 245 HG21 VAL 12 3HG2 VAL 12 0.923 -10.217 -9.122 246 HG22 VAL 12 1HG2 VAL 12 2.107 -8.934 -9.405 247 HG23 VAL 12 2HG2 VAL 12 0.385 -8.561 -9.284 248 H GLU 13 H GLU 13 -1.045 -8.837 -13.487 249 HA GLU 13 HA GLU 13 0.705 -9.482 -15.740 250 HB2 GLU 13 1HB GLU 13 -1.590 -10.483 -15.457 251 HB3 GLU 13 2HB GLU 13 -2.302 -8.884 -15.766 252 HG2 GLU 13 1HG GLU 13 -1.312 -8.950 -18.101 253 HG3 GLU 13 2HG GLU 13 -0.699 -10.552 -17.722 254 HE2 GLU 13 HE2 GLU 13 -3.730 -11.112 -19.379 255 H ALA 14 H ALA 14 -1.285 -6.565 -14.999 256 HA ALA 14 HA ALA 14 -0.747 -5.262 -17.441 257 HB1 ALA 14 3HB ALA 14 -1.224 -4.048 -14.691 258 HB2 ALA 14 1HB ALA 14 -1.331 -3.175 -16.242 259 HB3 ALA 14 2HB ALA 14 -2.483 -4.500 -15.863 260 H LEU 15 H LEU 15 1.229 -5.566 -14.504 261 HA LEU 15 HA LEU 15 3.165 -3.522 -15.273 262 HB2 LEU 15 1HB LEU 15 2.595 -4.155 -13.009 263 HB3 LEU 15 2HB LEU 15 3.320 -5.723 -13.289 264 HG LEU 15 HG LEU 15 5.557 -4.758 -13.449 265 HD11 LEU 15 1HD1 LEU 15 5.916 -2.365 -12.962 266 HD12 LEU 15 2HD1 LEU 15 4.175 -2.102 -13.101 267 HD13 LEU 15 3HD1 LEU 15 5.117 -2.662 -14.452 268 HD21 LEU 15 3HD2 LEU 15 4.665 -5.345 -11.225 269 HD22 LEU 15 1HD2 LEU 15 4.088 -3.694 -10.973 270 HD23 LEU 15 2HD2 LEU 15 5.835 -4.025 -11.134 271 H TYR 16 H TYR 16 3.027 -7.024 -15.512 272 HA TYR 16 HA TYR 16 5.638 -7.475 -16.611 273 HB2 TYR 16 1HB TYR 16 4.058 -9.277 -15.638 274 HB3 TYR 16 2HB TYR 16 3.059 -9.072 -17.067 275 HD1 TYR 16 HD2 TYR 16 6.700 -9.754 -16.310 276 HD2 TYR 16 HD1 TYR 16 3.359 -10.562 -18.917 277 HE1 TYR 16 HE2 TYR 16 8.104 -11.231 -17.677 278 HE2 TYR 16 HE1 TYR 16 4.721 -12.090 -20.223 279 HH TYR 16 HH TYR 16 8.218 -12.533 -19.575 280 H LEU 17 H LEU 17 2.415 -6.788 -18.046 281 HA LEU 17 HA LEU 17 3.381 -6.972 -20.730 282 HB2 LEU 17 1HB LEU 17 1.045 -5.526 -19.595 283 HB3 LEU 17 2HB LEU 17 1.428 -5.504 -21.324 284 HG LEU 17 HG LEU 17 0.900 -8.047 -19.763 285 HD11 LEU 17 1HD1 LEU 17 -1.058 -6.548 -21.574 286 HD12 LEU 17 2HD1 LEU 17 -1.109 -6.559 -19.784 287 HD13 LEU 17 3HD1 LEU 17 -1.356 -8.065 -20.672 288 HD21 LEU 17 3HD2 LEU 17 2.173 -8.422 -21.800 289 HD22 LEU 17 1HD2 LEU 17 0.966 -7.469 -22.738 290 HD23 LEU 17 2HD2 LEU 17 0.512 -9.040 -21.950 291 H VAL 18 H VAL 18 3.084 -4.084 -18.586 292 HA VAL 18 HA VAL 18 3.967 -2.336 -20.698 293 HB VAL 18 HB VAL 18 2.514 -1.605 -18.715 294 HG11 VAL 18 1HG1 VAL 18 5.173 -1.217 -17.267 295 HG12 VAL 18 2HG1 VAL 18 3.537 -0.804 -16.703 296 HG13 VAL 18 3HG1 VAL 18 4.005 -2.499 -16.890 297 HG21 VAL 18 3HG2 VAL 18 3.577 -0.054 -20.383 298 HG22 VAL 18 1HG2 VAL 18 3.264 0.676 -18.803 299 HG23 VAL 18 2HG2 VAL 18 4.922 0.180 -19.249 300 H CYS 19 H CYS 19 5.695 -4.221 -18.163 301 HA CYS 19 HA CYS 19 8.150 -2.745 -18.635 302 HB2 CYS 19 1HB CYS 19 7.590 -5.491 -17.407 303 HB3 CYS 19 2HB CYS 19 9.202 -4.729 -17.471 304 H GLY 20 H GLY 20 6.692 -5.715 -19.964 305 HA2 GLY 20 1HA GLY 20 7.324 -6.319 -22.256 306 HA3 GLY 20 2HA GLY 20 8.986 -5.879 -21.847 307 H GLU 21 H GLU 21 8.989 -8.254 -22.802 308 HA GLU 21 HA GLU 21 7.878 -10.241 -21.153 309 HB2 GLU 21 1HB GLU 21 10.199 -10.395 -23.066 310 HB3 GLU 21 2HB GLU 21 9.342 -11.793 -22.394 311 HG2 GLU 21 1HG GLU 21 7.192 -10.833 -23.355 312 HG3 GLU 21 2HG GLU 21 8.241 -9.695 -24.262 313 HE2 GLU 21 HE2 GLU 21 7.403 -12.703 -26.069 314 H ARG 22 H ARG 22 10.787 -8.455 -20.837 315 HA ARG 22 HA ARG 22 12.291 -10.278 -19.175 316 HB2 ARG 22 1HB ARG 22 13.552 -8.325 -18.553 317 HB3 ARG 22 2HB ARG 22 13.309 -8.371 -20.300 318 HG2 ARG 22 1HG ARG 22 11.177 -6.813 -18.988 319 HG3 ARG 22 2HG ARG 22 12.781 -6.155 -18.678 320 HD2 ARG 22 1HD ARG 22 11.740 -6.805 -21.439 321 HD3 ARG 22 2HD ARG 22 11.768 -5.214 -20.660 322 HE ARG 22 HE ARG 22 14.382 -6.295 -20.513 323 HH11 ARG 22 1HH1 ARG 22 12.143 -5.114 -22.939 324 HH12 ARG 22 2HH1 ARG 22 13.371 -4.520 -24.036 325 HH21 ARG 22 1HH2 ARG 22 15.979 -5.564 -21.883 326 HH22 ARG 22 2HH2 ARG 22 15.573 -4.806 -23.411 327 H GLY 23 H GLY 23 9.468 -8.374 -18.569 328 HA2 GLY 23 1HA GLY 23 8.265 -8.233 -16.607 329 HA3 GLY 23 2HA GLY 23 9.294 -9.507 -15.905 330 H PHE 24 H PHE 24 9.235 -8.604 -13.944 331 HA PHE 24 HA PHE 24 11.080 -6.313 -13.526 332 HB2 PHE 24 1HB PHE 24 9.501 -5.257 -12.021 333 HB3 PHE 24 2HB PHE 24 8.788 -5.358 -13.622 334 HD1 PHE 24 HD1 PHE 24 7.020 -6.946 -14.099 335 HD2 PHE 24 HD2 PHE 24 8.534 -6.524 -10.134 336 HE1 PHE 24 HE1 PHE 24 5.013 -8.103 -13.234 337 HE2 PHE 24 HE2 PHE 24 6.527 -7.677 -9.208 338 HZ PHE 24 HZ PHE 24 4.753 -8.481 -10.757 339 H PHE 25 H PHE 25 11.950 -6.281 -11.347 340 HA PHE 25 HA PHE 25 11.966 -9.130 -10.432 341 HB2 PHE 25 1HB PHE 25 13.863 -6.792 -10.008 342 HB3 PHE 25 2HB PHE 25 14.012 -8.385 -9.209 343 HD1 PHE 25 HD1 PHE 25 14.679 -10.371 -10.301 344 HD2 PHE 25 HD2 PHE 25 14.250 -6.701 -12.499 345 HE1 PHE 25 HE1 PHE 25 15.903 -11.376 -12.261 346 HE2 PHE 25 HE2 PHE 25 15.434 -7.642 -14.447 347 HZ PHE 25 HZ PHE 25 16.221 -10.025 -14.323 348 H TYR 26 H TYR 26 11.455 -9.812 -8.588 349 HA TYR 26 HA TYR 26 10.607 -7.962 -6.402 350 HB2 TYR 26 1HB TYR 26 8.573 -8.854 -7.238 351 HB3 TYR 26 2HB TYR 26 9.285 -10.425 -7.512 352 HD1 TYR 26 HD1 TYR 26 8.582 -8.076 -4.712 353 HD2 TYR 26 HD2 TYR 26 8.759 -12.142 -6.041 354 HE1 TYR 26 HE1 TYR 26 7.699 -8.849 -2.459 355 HE2 TYR 26 HE2 TYR 26 7.872 -12.885 -3.801 356 HH TYR 26 HH TYR 26 6.947 -12.295 -1.821 357 H THR 27 H THR 27 11.560 -11.295 -7.189 358 HA THR 27 HA THR 27 13.701 -11.357 -5.224 359 HB THR 27 HB THR 27 11.668 -12.200 -3.842 360 HG1 THR 27 HG1 THR 27 13.059 -13.404 -2.900 361 HG21 THR 27 1HG2 THR 27 10.728 -14.411 -4.365 362 HG22 THR 27 2HG2 THR 27 11.755 -14.571 -5.780 363 HG23 THR 27 3HG2 THR 27 10.497 -13.373 -5.765 364 H LYS 28 H LYS 28 15.071 -13.342 -5.724 365 HA LYS 28 HA LYS 28 14.630 -14.193 -8.593 366 HB2 LYS 28 1HB LYS 28 17.197 -13.942 -6.995 367 HB3 LYS 28 2HB LYS 28 17.085 -14.582 -8.649 368 HG2 LYS 28 1HG LYS 28 16.190 -12.459 -9.432 369 HG3 LYS 28 2HG LYS 28 16.462 -11.738 -7.854 370 HD2 LYS 28 1HD LYS 28 18.580 -13.046 -9.659 371 HD3 LYS 28 2HD LYS 28 18.265 -11.311 -9.577 372 HE2 LYS 28 1HE LYS 28 18.796 -11.312 -7.118 373 HE3 LYS 28 2HE LYS 28 19.262 -13.043 -7.287 374 HZ1 LYS 28 3HZ LYS 28 20.426 -10.960 -9.042 375 HZ2 LYS 28 1HZ LYS 28 21.056 -12.487 -8.700 376 HZ3 LYS 28 2HZ LYS 28 21.086 -11.317 -7.520 377 HA PRO 29 HA PRO 29 14.378 -18.073 -6.272 378 HB2 PRO 29 1HB PRO 29 12.873 -19.547 -8.007 379 HB3 PRO 29 2HB PRO 29 12.176 -18.232 -6.908 380 HG2 PRO 29 1HG PRO 29 13.050 -17.923 -9.830 381 HG3 PRO 29 2HG PRO 29 11.408 -17.654 -9.073 382 HD2 PRO 29 1HD PRO 29 13.244 -15.620 -9.403 383 HD3 PRO 29 2HD PRO 29 12.235 -15.741 -7.924 384 H THR 30 H THR 30 16.597 -18.608 -6.525 385 HA THR 30 HA THR 30 17.273 -20.415 -8.876 386 HB THR 30 HB THR 30 19.570 -19.438 -8.858 387 HG1 THR 30 HG1 THR 30 18.404 -17.939 -6.746 388 HG21 THR 30 1HG2 THR 30 19.205 -17.284 -9.749 389 HG22 THR 30 2HG2 THR 30 17.576 -17.144 -9.039 390 HG23 THR 30 3HG2 THR 30 17.870 -18.321 -10.290 391 HXT THR 30 H02 THR 30 18.566 -22.494 -6.641 Start of MODEL 23 1 H1 GLY 1 1H GLY 1 2.258 1.106 1.562 2 H2 GLY 1 2H GLY 1 1.498 1.841 0.292 3 HA2 GLY 1 1HA GLY 1 3.505 0.491 -0.369 4 HA3 GLY 1 2HA GLY 1 2.526 -0.933 0.020 5 H ILE 2 H ILE 2 2.745 -1.605 -2.141 6 HA ILE 2 HA ILE 2 1.794 -0.240 -4.414 7 HB ILE 2 HB ILE 2 1.377 -3.228 -3.863 8 HG12 ILE 2 1HG1 ILE 2 3.770 -1.798 -5.186 9 HG13 ILE 2 2HG1 ILE 2 3.769 -2.458 -3.558 10 HG21 ILE 2 1HG2 ILE 2 1.722 -1.774 -6.568 11 HG22 ILE 2 2HG2 ILE 2 1.227 -3.499 -6.238 12 HG23 ILE 2 3HG2 ILE 2 0.112 -2.193 -5.844 13 HD11 ILE 2 3HD1 ILE 2 4.868 -4.029 -5.117 14 HD12 ILE 2 1HD1 ILE 2 3.377 -4.795 -4.475 15 HD13 ILE 2 2HD1 ILE 2 3.433 -4.139 -6.154 16 H VAL 3 H VAL 3 -0.042 -2.150 -2.038 17 HA VAL 3 HA VAL 3 -2.505 -1.848 -3.463 18 HB VAL 3 HB VAL 3 -3.661 -2.535 -1.385 19 HG11 VAL 3 1HG1 VAL 3 -2.781 -4.762 -1.222 20 HG12 VAL 3 2HG1 VAL 3 -2.448 -4.242 -2.903 21 HG13 VAL 3 3HG1 VAL 3 -1.137 -4.249 -1.665 22 HG21 VAL 3 3HG2 VAL 3 -2.134 -3.201 0.577 23 HG22 VAL 3 1HG2 VAL 3 -0.953 -2.054 -0.108 24 HG23 VAL 3 2HG2 VAL 3 -2.567 -1.484 0.390 25 H GLU 4 H GLU 4 -1.031 0.209 -0.887 26 HA GLU 4 HA GLU 4 -3.375 2.006 -0.813 27 HB2 GLU 4 1HB GLU 4 -0.603 2.391 0.301 28 HB3 GLU 4 2HB GLU 4 -2.019 3.419 0.572 29 HG2 GLU 4 1HG GLU 4 -3.168 1.285 1.495 30 HG3 GLU 4 2HG GLU 4 -1.514 0.579 1.497 31 HE2 GLU 4 HE2 GLU 4 -2.380 2.178 4.682 32 H GLN 5 H GLN 5 -0.472 1.768 -2.749 33 HA GLN 5 HA GLN 5 -0.763 4.574 -3.652 34 HB2 GLN 5 1HB GLN 5 1.401 3.264 -3.390 35 HB3 GLN 5 2HB GLN 5 0.988 2.415 -4.862 36 HG2 GLN 5 1HG GLN 5 1.180 4.374 -6.197 37 HG3 GLN 5 2HG GLN 5 0.905 5.420 -4.807 38 HE21 GLN 5 2HE2 GLN 5 2.676 6.194 -3.707 39 HE22 GLN 5 1HE2 GLN 5 4.343 5.743 -4.094 40 H CYS 6 H CYS 6 -1.547 1.323 -4.974 41 HA CYS 6 HA CYS 6 -2.577 2.743 -7.334 42 HB2 CYS 6 1HB CYS 6 -1.018 0.227 -7.066 43 HB3 CYS 6 2HB CYS 6 -2.411 0.080 -8.123 44 H CYS 7 H CYS 7 -3.699 0.692 -4.768 45 HA CYS 7 HA CYS 7 -6.001 -0.167 -6.500 46 HB2 CYS 7 1HB CYS 7 -5.447 -0.987 -3.652 47 HB3 CYS 7 2HB CYS 7 -6.584 -1.735 -4.822 48 H THR 8 H THR 8 -5.152 2.317 -4.424 49 HA THR 8 HA THR 8 -7.934 3.092 -3.732 50 HB THR 8 HB THR 8 -5.920 3.954 -2.392 51 HG1 THR 8 HG1 THR 8 -6.607 6.135 -2.385 52 HG21 THR 8 1HG2 THR 8 -4.405 4.174 -4.460 53 HG22 THR 8 2HG2 THR 8 -4.366 5.500 -3.262 54 HG23 THR 8 3HG2 THR 8 -5.273 5.653 -4.793 55 H SER 9 H SER 9 -9.273 4.314 -5.021 56 HA SER 9 HA SER 9 -10.122 5.052 -7.053 57 HB2 SER 9 1HB SER 9 -8.595 6.924 -6.378 58 HB3 SER 9 2HB SER 9 -7.353 6.231 -7.408 59 HG SER 9 HG SER 9 -8.631 7.913 -8.391 60 H ILE 10 H ILE 10 -8.228 5.463 -9.497 61 HA ILE 10 HA ILE 10 -8.012 2.577 -10.290 62 HB ILE 10 HB ILE 10 -8.725 4.960 -12.035 63 HG12 ILE 10 1HG1 ILE 10 -10.625 4.373 -10.670 64 HG13 ILE 10 2HG1 ILE 10 -10.920 3.855 -12.337 65 HG21 ILE 10 1HG2 ILE 10 -7.390 3.392 -13.336 66 HG22 ILE 10 2HG2 ILE 10 -8.249 2.003 -12.637 67 HG23 ILE 10 3HG2 ILE 10 -9.066 3.081 -13.773 68 HD11 ILE 10 3HD1 ILE 10 -10.023 1.927 -10.110 69 HD12 ILE 10 1HD1 ILE 10 -11.738 2.225 -10.557 70 HD13 ILE 10 2HD1 ILE 10 -10.648 1.499 -11.750 71 H CYS 11 H CYS 11 -5.986 1.991 -10.937 72 HA CYS 11 HA CYS 11 -3.997 4.145 -10.914 73 HB2 CYS 11 1HB CYS 11 -3.944 1.642 -9.864 74 HB3 CYS 11 2HB CYS 11 -2.909 1.476 -11.284 75 H SER 12 H SER 12 -3.057 4.964 -12.601 76 HA SER 12 HA SER 12 -3.707 3.920 -15.259 77 HB2 SER 12 1HB SER 12 -2.101 6.250 -14.238 78 HB3 SER 12 2HB SER 12 -2.088 5.808 -15.951 79 HG SER 12 HG SER 12 -4.510 6.099 -14.549 80 H LEU 13 H LEU 13 -2.262 3.166 -16.844 81 HA LEU 13 HA LEU 13 -0.190 1.405 -16.180 82 HB2 LEU 13 1HB LEU 13 -0.791 2.881 -18.759 83 HB3 LEU 13 2HB LEU 13 0.452 1.673 -18.625 84 HG LEU 13 HG LEU 13 -2.375 0.963 -17.729 85 HD11 LEU 13 1HD1 LEU 13 -2.704 -0.059 -19.961 86 HD12 LEU 13 2HD1 LEU 13 -1.261 0.738 -20.571 87 HD13 LEU 13 3HD1 LEU 13 -2.682 1.696 -20.052 88 HD21 LEU 13 3HD2 LEU 13 -0.055 -0.660 -18.838 89 HD22 LEU 13 1HD2 LEU 13 -1.549 -1.307 -18.124 90 HD23 LEU 13 2HD2 LEU 13 -0.362 -0.500 -17.098 91 H TYR 14 H TYR 14 -0.059 4.886 -16.906 92 HA TYR 14 HA TYR 14 2.767 5.167 -17.196 93 HB2 TYR 14 1HB TYR 14 1.126 7.074 -17.766 94 HB3 TYR 14 2HB TYR 14 0.625 7.119 -16.094 95 HD1 TYR 14 HD1 TYR 14 3.690 7.170 -18.260 96 HD2 TYR 14 HD2 TYR 14 1.807 8.719 -14.815 97 HE1 TYR 14 HE1 TYR 14 5.560 8.642 -17.987 98 HE2 TYR 14 HE2 TYR 14 3.447 10.730 -15.167 99 HH TYR 14 HH TYR 14 6.711 9.918 -16.519 100 H GLN 15 H GLN 15 0.575 4.932 -14.417 101 HA GLN 15 HA GLN 15 2.726 5.704 -12.502 102 HB2 GLN 15 1HB GLN 15 0.008 4.440 -12.127 103 HB3 GLN 15 2HB GLN 15 1.041 4.892 -10.780 104 HG2 GLN 15 1HG GLN 15 0.806 7.213 -11.388 105 HG3 GLN 15 2HG GLN 15 -0.085 6.778 -12.848 106 HE21 GLN 15 2HE2 GLN 15 -0.078 6.670 -9.329 107 HE22 GLN 15 1HE2 GLN 15 -1.802 6.599 -9.112 108 H LEU 16 H LEU 16 1.142 2.743 -13.728 109 HA LEU 16 HA LEU 16 2.537 0.947 -12.081 110 HB2 LEU 16 1HB LEU 16 1.036 0.915 -14.591 111 HB3 LEU 16 2HB LEU 16 2.302 -0.288 -14.583 112 HG LEU 16 HG LEU 16 1.476 -1.193 -12.415 113 HD11 LEU 16 1HD1 LEU 16 -0.916 -0.623 -11.812 114 HD12 LEU 16 2HD1 LEU 16 -0.837 0.734 -12.939 115 HD13 LEU 16 3HD1 LEU 16 0.239 0.683 -11.524 116 HD21 LEU 16 3HD2 LEU 16 -0.490 -1.103 -14.723 117 HD22 LEU 16 1HD2 LEU 16 -0.241 -2.403 -13.497 118 HD23 LEU 16 2HD2 LEU 16 1.054 -2.008 -14.670 119 H GLU 17 H GLU 17 3.801 2.737 -14.863 120 HA GLU 17 HA GLU 17 6.121 1.152 -15.269 121 HB2 GLU 17 1HB GLU 17 5.711 4.098 -15.626 122 HB3 GLU 17 2HB GLU 17 7.165 3.240 -16.183 123 HG2 GLU 17 1HG GLU 17 5.712 1.978 -17.756 124 HG3 GLU 17 2HG GLU 17 4.314 2.747 -17.082 125 HE2 GLU 17 HE2 GLU 17 5.891 4.337 -20.057 126 H ASN 18 H ASN 18 5.311 3.473 -12.761 127 HA ASN 18 HA ASN 18 8.038 4.115 -12.009 128 HB2 ASN 18 1HB ASN 18 5.603 3.974 -10.180 129 HB3 ASN 18 2HB ASN 18 7.115 4.838 -9.928 130 HD21 ASN 18 2HD2 ASN 18 7.340 5.748 -12.695 131 HD22 ASN 18 1HD2 ASN 18 6.123 7.015 -12.836 132 H TYR 19 H TYR 19 5.961 1.270 -11.556 133 HA TYR 19 HA TYR 19 7.535 0.308 -9.235 134 HB2 TYR 19 1HB TYR 19 5.411 -1.057 -11.012 135 HB3 TYR 19 2HB TYR 19 6.131 -1.765 -9.553 136 HD1 TYR 19 HD2 TYR 19 3.876 0.864 -10.770 137 HD2 TYR 19 HD1 TYR 19 5.463 -0.944 -7.242 138 HE1 TYR 19 HE2 TYR 19 2.204 2.038 -9.543 139 HE2 TYR 19 HE1 TYR 19 3.708 0.228 -5.907 140 HH TYR 19 HH TYR 19 1.416 2.579 -7.614 141 H CYS 20 H CYS 20 8.345 0.700 -12.404 142 HA CYS 20 HA CYS 20 10.084 -1.737 -12.406 143 HB2 CYS 20 1HB CYS 20 8.053 -1.637 -14.091 144 HB3 CYS 20 2HB CYS 20 8.995 -0.410 -14.947 145 H ASN 21 H ASN 21 11.244 -0.691 -14.953 146 HA ASN 21 HA ASN 21 13.439 0.686 -13.886 147 HB2 ASN 21 1HB ASN 21 14.241 0.899 -16.180 148 HB3 ASN 21 2HB ASN 21 13.452 -0.642 -16.023 149 HD21 ASN 21 2HD2 ASN 21 13.884 1.186 -18.406 150 HD22 ASN 21 1HD2 ASN 21 12.284 1.386 -19.025 151 HXT ASN 21 H02 ASN 21 10.724 1.846 -15.411 152 H1 PHE 1 1H PHE 1 -8.579 -4.655 -22.876 153 H2 PHE 1 2H PHE 1 -7.497 -3.638 -23.462 154 HA PHE 1 HA PHE 1 -7.104 -5.060 -20.948 155 HB2 PHE 1 1HB PHE 1 -4.991 -4.472 -22.231 156 HB3 PHE 1 2HB PHE 1 -5.576 -2.754 -22.321 157 HD1 PHE 1 HD2 PHE 1 -4.401 -5.472 -20.000 158 HD2 PHE 1 HD1 PHE 1 -5.519 -1.257 -20.360 159 HE1 PHE 1 HE2 PHE 1 -3.409 -4.966 -17.812 160 HE2 PHE 1 HE1 PHE 1 -4.524 -0.793 -18.173 161 HZ PHE 1 HZ PHE 1 -3.405 -2.636 -16.908 162 H VAL 2 H VAL 2 -7.686 -4.158 -19.204 163 HA VAL 2 HA VAL 2 -9.170 -1.557 -19.328 164 HB VAL 2 HB VAL 2 -9.999 -4.033 -17.671 165 HG11 VAL 2 1HG1 VAL 2 -10.639 -1.938 -16.637 166 HG12 VAL 2 2HG1 VAL 2 -11.250 -1.300 -18.174 167 HG13 VAL 2 3HG1 VAL 2 -12.106 -2.650 -17.379 168 HG21 VAL 2 3HG2 VAL 2 -10.422 -4.609 -19.961 169 HG22 VAL 2 1HG2 VAL 2 -11.974 -4.143 -19.231 170 HG23 VAL 2 2HG2 VAL 2 -11.113 -2.999 -20.296 171 H ASN 3 H ASN 3 -8.629 -0.036 -17.908 172 HA ASN 3 HA ASN 3 -6.611 -0.773 -15.884 173 HB2 ASN 3 1HB ASN 3 -7.833 1.800 -16.881 174 HB3 ASN 3 2HB ASN 3 -6.933 1.763 -15.378 175 HD21 ASN 3 2HD2 ASN 3 -6.608 2.375 -18.619 176 HD22 ASN 3 1HD2 ASN 3 -4.898 2.081 -18.765 177 H GLN 4 H GLN 4 -7.043 -0.730 -13.657 178 HA GLN 4 HA GLN 4 -9.793 -0.063 -12.783 179 HB2 GLN 4 1HB GLN 4 -9.720 -2.447 -13.897 180 HB3 GLN 4 2HB GLN 4 -8.934 -2.939 -12.384 181 HG2 GLN 4 1HG GLN 4 -11.371 -3.446 -12.406 182 HG3 GLN 4 2HG GLN 4 -10.984 -2.282 -11.096 183 HE21 GLN 4 2HE2 GLN 4 -12.146 -2.427 -14.568 184 HE22 GLN 4 1HE2 GLN 4 -13.191 -1.057 -14.349 185 H HIS 5 H HIS 5 -9.671 -1.556 -10.340 186 HA HIS 5 HA HIS 5 -7.583 -0.320 -8.714 187 HB2 HIS 5 1HB HIS 5 -9.533 -2.650 -8.183 188 HB3 HIS 5 2HB HIS 5 -8.508 -1.781 -6.970 189 HD1 HIS 5 HD1 HIS 5 -9.223 0.695 -6.224 190 HD2 HIS 5 HD2 HIS 5 -11.863 -1.278 -8.825 191 HE1 HIS 5 HE1 HIS 5 -11.337 2.001 -6.236 192 HE2 HIS 5 H01 HIS 5 -12.983 0.817 -7.729 193 H LEU 6 H LEU 6 -5.882 -1.175 -10.206 194 HA LEU 6 HA LEU 6 -5.462 -4.019 -10.527 195 HB2 LEU 6 1HB LEU 6 -3.534 -1.715 -10.928 196 HB3 LEU 6 2HB LEU 6 -3.309 -3.369 -11.432 197 HG LEU 6 HG LEU 6 -5.594 -1.663 -12.406 198 HD11 LEU 6 1HD1 LEU 6 -2.923 -2.215 -13.770 199 HD12 LEU 6 2HD1 LEU 6 -3.434 -0.648 -13.058 200 HD13 LEU 6 3HD1 LEU 6 -4.299 -1.299 -14.476 201 HD21 LEU 6 3HD2 LEU 6 -6.038 -4.066 -12.642 202 HD22 LEU 6 1HD2 LEU 6 -4.438 -4.334 -13.331 203 HD23 LEU 6 2HD2 LEU 6 -5.636 -3.426 -14.244 204 H CYS 7 H CYS 7 -5.263 -5.134 -8.684 205 HA CYS 7 HA CYS 7 -3.075 -4.462 -6.767 206 HB2 CYS 7 1HB CYS 7 -5.899 -4.891 -6.472 207 HB3 CYS 7 2HB CYS 7 -4.998 -6.220 -5.690 208 H AIB 8 H AIB 8 -5.042 -7.162 -7.779 209 HB11 AIB 8 1HB1 AIB 8 -5.351 -10.653 -7.734 210 HB12 AIB 8 3HB1 AIB 8 -5.975 -9.172 -8.435 211 HB13 AIB 8 1HB2 AIB 8 -5.832 -9.328 -6.712 212 HB21 AIB 8 3HB2 AIB 8 -3.115 -10.621 -6.461 213 HB22 AIB 8 2HB1 AIB 8 -3.770 -9.303 -5.524 214 HB23 AIB 8 2HB2 AIB 8 -2.146 -9.122 -6.201 215 H SER 9 H SER 9 -3.973 -11.175 -9.070 216 HA SER 9 HA SER 9 -1.483 -11.166 -10.450 217 HB2 SER 9 1HB SER 9 -2.988 -13.096 -10.241 218 HB3 SER 9 2HB SER 9 -4.117 -12.384 -11.378 219 HG SER 9 HG SER 9 -2.219 -14.012 -11.934 220 H HIS 10 H HIS 10 -4.544 -9.467 -11.338 221 HA HIS 10 HA HIS 10 -3.674 -8.829 -13.979 222 HB2 HIS 10 1HB HIS 10 -5.576 -7.564 -12.026 223 HB3 HIS 10 2HB HIS 10 -5.167 -6.712 -13.530 224 HD1 HIS 10 HD1 HIS 10 -5.681 -7.869 -15.901 225 HD2 HIS 10 HD2 HIS 10 -7.442 -9.770 -12.509 226 HE1 HIS 10 HE1 HIS 10 -7.576 -9.338 -16.730 227 HE2 HIS 10 H01 HIS 10 -8.632 -10.507 -14.760 228 H LEU 11 H LEU 11 -2.754 -7.294 -10.871 229 HA LEU 11 HA LEU 11 -1.712 -4.910 -12.111 230 HB2 LEU 11 1HB LEU 11 -2.228 -5.148 -9.683 231 HB3 LEU 11 2HB LEU 11 -1.008 -6.404 -9.541 232 HG LEU 11 HG LEU 11 -0.531 -4.133 -8.613 233 HD11 LEU 11 1HD1 LEU 11 1.660 -5.040 -10.478 234 HD12 LEU 11 2HD1 LEU 11 1.082 -6.092 -9.179 235 HD13 LEU 11 3HD1 LEU 11 1.740 -4.547 -8.780 236 HD21 LEU 11 3HD2 LEU 11 0.092 -3.370 -11.494 237 HD22 LEU 11 1HD2 LEU 11 0.450 -2.440 -10.027 238 HD23 LEU 11 2HD2 LEU 11 -1.231 -2.707 -10.481 239 H VAL 12 H VAL 12 -0.396 -8.133 -11.173 240 HA VAL 12 HA VAL 12 2.323 -7.702 -11.916 241 HB VAL 12 HB VAL 12 0.693 -10.312 -12.014 242 HG11 VAL 12 1HG1 VAL 12 2.981 -10.340 -13.074 243 HG12 VAL 12 2HG1 VAL 12 3.643 -9.924 -11.477 244 HG13 VAL 12 3HG1 VAL 12 2.776 -11.455 -11.725 245 HG21 VAL 12 3HG2 VAL 12 1.945 -10.451 -9.596 246 HG22 VAL 12 1HG2 VAL 12 1.750 -8.694 -9.705 247 HG23 VAL 12 2HG2 VAL 12 0.345 -9.747 -9.769 248 H GLU 13 H GLU 13 -0.385 -9.077 -13.803 249 HA GLU 13 HA GLU 13 0.980 -9.446 -16.240 250 HB2 GLU 13 1HB GLU 13 -1.249 -10.431 -15.755 251 HB3 GLU 13 2HB GLU 13 -1.929 -8.819 -15.681 252 HG2 GLU 13 1HG GLU 13 -2.499 -9.820 -17.802 253 HG3 GLU 13 2HG GLU 13 -1.395 -8.455 -18.092 254 HE2 GLU 13 HE2 GLU 13 0.657 -8.953 -18.592 255 H ALA 14 H ALA 14 -0.857 -6.523 -15.056 256 HA ALA 14 HA ALA 14 -0.505 -5.151 -17.544 257 HB1 ALA 14 3HB ALA 14 -1.092 -4.230 -14.704 258 HB2 ALA 14 1HB ALA 14 -1.082 -3.150 -16.133 259 HB3 ALA 14 2HB ALA 14 -2.250 -4.473 -16.055 260 H LEU 15 H LEU 15 1.459 -5.338 -14.548 261 HA LEU 15 HA LEU 15 3.300 -3.259 -15.280 262 HB2 LEU 15 1HB LEU 15 3.007 -5.249 -13.263 263 HB3 LEU 15 2HB LEU 15 4.621 -5.438 -13.947 264 HG LEU 15 HG LEU 15 3.573 -2.817 -12.856 265 HD11 LEU 15 1HD1 LEU 15 3.727 -4.473 -11.086 266 HD12 LEU 15 2HD1 LEU 15 5.143 -3.429 -10.984 267 HD13 LEU 15 3HD1 LEU 15 5.306 -5.066 -11.675 268 HD21 LEU 15 3HD2 LEU 15 6.349 -3.751 -13.816 269 HD22 LEU 15 1HD2 LEU 15 6.095 -2.285 -12.830 270 HD23 LEU 15 2HD2 LEU 15 5.423 -2.362 -14.408 271 H TYR 16 H TYR 16 3.238 -6.796 -15.847 272 HA TYR 16 HA TYR 16 5.741 -7.018 -17.159 273 HB2 TYR 16 1HB TYR 16 4.307 -8.866 -16.299 274 HB3 TYR 16 2HB TYR 16 3.198 -8.622 -17.626 275 HD1 TYR 16 HD2 TYR 16 6.630 -9.633 -16.750 276 HD2 TYR 16 HD1 TYR 16 3.609 -9.674 -19.751 277 HE1 TYR 16 HE2 TYR 16 7.896 -11.434 -18.008 278 HE2 TYR 16 HE1 TYR 16 4.970 -11.360 -21.080 279 HH TYR 16 HH TYR 16 7.995 -12.726 -19.692 280 H LEU 17 H LEU 17 2.453 -6.379 -18.424 281 HA LEU 17 HA LEU 17 3.155 -6.365 -21.175 282 HB2 LEU 17 1HB LEU 17 0.893 -5.110 -19.606 283 HB3 LEU 17 2HB LEU 17 1.118 -4.840 -21.342 284 HG LEU 17 HG LEU 17 0.687 -7.529 -20.029 285 HD11 LEU 17 1HD1 LEU 17 -1.596 -7.311 -20.886 286 HD12 LEU 17 2HD1 LEU 17 -1.251 -5.668 -21.404 287 HD13 LEU 17 3HD1 LEU 17 -1.201 -6.113 -19.658 288 HD21 LEU 17 3HD2 LEU 17 1.800 -7.891 -22.069 289 HD22 LEU 17 1HD2 LEU 17 0.759 -6.720 -22.938 290 HD23 LEU 17 2HD2 LEU 17 0.056 -8.243 -22.329 291 H VAL 18 H VAL 18 3.013 -3.691 -18.752 292 HA VAL 18 HA VAL 18 3.572 -1.755 -20.937 293 HB VAL 18 HB VAL 18 2.171 -1.379 -18.880 294 HG11 VAL 18 1HG1 VAL 18 4.875 -0.958 -17.537 295 HG12 VAL 18 2HG1 VAL 18 3.297 -0.614 -16.837 296 HG13 VAL 18 3HG1 VAL 18 3.749 -2.286 -17.193 297 HG21 VAL 18 3HG2 VAL 18 4.389 0.580 -19.694 298 HG22 VAL 18 1HG2 VAL 18 2.700 0.548 -20.217 299 HG23 VAL 18 2HG2 VAL 18 3.104 1.045 -18.564 300 H CYS 19 H CYS 19 5.553 -3.551 -18.607 301 HA CYS 19 HA CYS 19 7.880 -1.771 -19.202 302 HB2 CYS 19 1HB CYS 19 7.254 -2.560 -16.833 303 HB3 CYS 19 2HB CYS 19 7.952 -4.114 -17.276 304 H GLY 20 H GLY 20 6.607 -4.872 -20.117 305 HA2 GLY 20 1HA GLY 20 7.401 -6.025 -21.958 306 HA3 GLY 20 2HA GLY 20 8.991 -5.315 -21.801 307 H GLU 21 H GLU 21 8.962 -7.889 -22.248 308 HA GLU 21 HA GLU 21 8.548 -9.691 -20.092 309 HB2 GLU 21 1HB GLU 21 10.446 -10.035 -22.475 310 HB3 GLU 21 2HB GLU 21 9.605 -11.319 -21.549 311 HG2 GLU 21 1HG GLU 21 7.419 -10.589 -22.367 312 HG3 GLU 21 2HG GLU 21 8.157 -9.287 -23.295 313 HE2 GLU 21 HE2 GLU 21 8.914 -9.674 -25.107 314 H ARG 22 H ARG 22 10.952 -7.365 -20.377 315 HA ARG 22 HA ARG 22 13.321 -8.783 -19.534 316 HB2 ARG 22 1HB ARG 22 13.801 -6.315 -18.603 317 HB3 ARG 22 2HB ARG 22 13.966 -6.728 -20.313 318 HG2 ARG 22 1HG ARG 22 11.272 -5.663 -19.449 319 HG3 ARG 22 2HG ARG 22 12.641 -4.535 -19.448 320 HD2 ARG 22 1HD ARG 22 12.177 -6.331 -21.816 321 HD3 ARG 22 2HD ARG 22 11.149 -4.898 -21.589 322 HE ARG 22 HE ARG 22 13.896 -4.193 -21.313 323 HH11 ARG 22 1HH1 ARG 22 11.568 -5.036 -23.802 324 HH12 ARG 22 2HH1 ARG 22 12.374 -4.132 -25.043 325 HH21 ARG 22 1HH2 ARG 22 14.944 -3.025 -22.964 326 HH22 ARG 22 2HH2 ARG 22 14.258 -3.006 -24.554 327 H GLY 23 H GLY 23 10.455 -7.781 -17.873 328 HA2 GLY 23 1HA GLY 23 9.916 -8.594 -15.708 329 HA3 GLY 23 2HA GLY 23 11.637 -8.787 -15.408 330 H PHE 24 H PHE 24 10.095 -7.751 -13.478 331 HA PHE 24 HA PHE 24 10.916 -4.850 -13.292 332 HB2 PHE 24 1HB PHE 24 8.680 -4.541 -12.139 333 HB3 PHE 24 2HB PHE 24 8.669 -4.688 -13.898 334 HD1 PHE 24 HD1 PHE 24 7.874 -6.576 -10.679 335 HD2 PHE 24 HD2 PHE 24 7.506 -6.423 -15.065 336 HE1 PHE 24 HE1 PHE 24 6.289 -8.414 -10.646 337 HE2 PHE 24 HE2 PHE 24 5.917 -8.410 -14.950 338 HZ PHE 24 HZ PHE 24 5.281 -9.324 -12.770 339 H PHE 25 H PHE 25 11.729 -7.659 -12.166 340 HA PHE 25 HA PHE 25 10.729 -7.743 -9.479 341 HB2 PHE 25 1HB PHE 25 12.450 -9.488 -9.140 342 HB3 PHE 25 2HB PHE 25 11.609 -9.728 -10.650 343 HD1 PHE 25 HD2 PHE 25 14.813 -8.432 -9.204 344 HD2 PHE 25 HD1 PHE 25 12.771 -9.824 -12.751 345 HE1 PHE 25 HE2 PHE 25 16.963 -8.415 -10.498 346 HE2 PHE 25 HE1 PHE 25 14.899 -9.764 -13.994 347 HZ PHE 25 HZ PHE 25 16.984 -9.103 -12.889 348 H TYR 26 H TYR 26 11.584 -7.445 -7.534 349 HA TYR 26 HA TYR 26 13.728 -5.382 -7.436 350 HB2 TYR 26 1HB TYR 26 11.613 -4.671 -6.526 351 HB3 TYR 26 2HB TYR 26 11.500 -6.189 -5.598 352 HD1 TYR 26 HD1 TYR 26 13.648 -3.147 -6.032 353 HD2 TYR 26 HD2 TYR 26 12.244 -6.193 -3.379 354 HE1 TYR 26 HE1 TYR 26 14.785 -2.004 -4.066 355 HE2 TYR 26 HE2 TYR 26 13.367 -5.069 -1.463 356 HH TYR 26 HH TYR 26 15.210 -2.134 -1.748 357 H THR 27 H THR 27 12.840 -8.587 -6.513 358 HA THR 27 HA THR 27 15.375 -9.002 -4.995 359 HB THR 27 HB THR 27 14.292 -11.145 -4.281 360 HG1 THR 27 HG1 THR 27 12.765 -11.662 -5.686 361 HG21 THR 27 1HG2 THR 27 14.044 -9.146 -2.833 362 HG22 THR 27 2HG2 THR 27 12.568 -10.155 -2.822 363 HG23 THR 27 3HG2 THR 27 12.572 -8.666 -3.750 364 H LYS 28 H LYS 28 16.913 -10.279 -5.976 365 HA LYS 28 HA LYS 28 16.623 -10.667 -8.772 366 HB2 LYS 28 1HB LYS 28 18.809 -11.826 -8.657 367 HB3 LYS 28 2HB LYS 28 18.786 -10.333 -7.753 368 HG2 LYS 28 1HG LYS 28 18.688 -11.546 -5.599 369 HG3 LYS 28 2HG LYS 28 18.383 -13.076 -6.474 370 HD2 LYS 28 1HD LYS 28 20.678 -13.045 -5.777 371 HD3 LYS 28 2HD LYS 28 20.586 -12.902 -7.552 372 HE2 LYS 28 1HE LYS 28 20.899 -10.501 -7.367 373 HE3 LYS 28 2HE LYS 28 21.155 -10.627 -5.649 374 HZ1 LYS 28 3HZ LYS 28 23.284 -10.611 -7.097 375 HZ2 LYS 28 1HZ LYS 28 22.884 -12.156 -7.553 376 HZ3 LYS 28 2HZ LYS 28 23.145 -11.836 -5.994 377 HA PRO 29 HA PRO 29 14.636 -14.634 -8.862 378 HB2 PRO 29 1HB PRO 29 15.134 -15.591 -11.300 379 HB3 PRO 29 2HB PRO 29 14.201 -14.100 -11.103 380 HG2 PRO 29 1HG PRO 29 17.126 -14.349 -11.749 381 HG3 PRO 29 2HG PRO 29 15.838 -13.399 -12.576 382 HD2 PRO 29 1HD PRO 29 17.454 -12.268 -10.649 383 HD3 PRO 29 2HD PRO 29 15.717 -11.773 -10.895 384 H THR 30 H THR 30 15.968 -15.531 -7.118 385 HA THR 30 HA THR 30 18.457 -16.898 -7.774 386 HB THR 30 HB THR 30 18.029 -17.983 -5.484 387 HG1 THR 30 HG1 THR 30 16.212 -17.798 -4.396 388 HG21 THR 30 1HG2 THR 30 17.715 -14.963 -5.419 389 HG22 THR 30 2HG2 THR 30 19.235 -15.920 -5.406 390 HG23 THR 30 3HG2 THR 30 18.107 -16.015 -4.046 391 HXT THR 30 H02 THR 30 15.367 -18.080 -7.021 Start of MODEL 24 1 H1 GLY 1 1H GLY 1 2.498 -2.619 -0.867 2 H2 GLY 1 2H GLY 1 4.107 -2.335 -0.650 3 HA2 GLY 1 1HA GLY 1 2.461 -0.380 -0.594 4 HA3 GLY 1 2HA GLY 1 4.008 -0.150 -1.468 5 H ILE 2 H ILE 2 3.196 -1.901 -3.611 6 HA ILE 2 HA ILE 2 2.034 0.150 -5.354 7 HB ILE 2 HB ILE 2 2.316 -2.763 -6.262 8 HG12 ILE 2 1HG1 ILE 2 4.587 -0.813 -5.767 9 HG13 ILE 2 2HG1 ILE 2 4.306 -2.407 -5.047 10 HG21 ILE 2 1HG2 ILE 2 2.647 -0.018 -7.618 11 HG22 ILE 2 2HG2 ILE 2 2.979 -1.616 -8.402 12 HG23 ILE 2 3HG2 ILE 2 1.323 -1.197 -7.896 13 HD11 ILE 2 3HD1 ILE 2 4.610 -3.473 -7.280 14 HD12 ILE 2 1HD1 ILE 2 5.121 -1.886 -7.927 15 HD13 ILE 2 2HD1 ILE 2 6.061 -2.663 -6.641 16 H VAL 3 H VAL 3 0.908 -2.992 -4.157 17 HA VAL 3 HA VAL 3 -1.686 -2.825 -5.256 18 HB VAL 3 HB VAL 3 -0.693 -4.907 -4.312 19 HG11 VAL 3 1HG1 VAL 3 -0.656 -5.443 -1.997 20 HG12 VAL 3 2HG1 VAL 3 0.199 -3.842 -2.173 21 HG13 VAL 3 3HG1 VAL 3 -1.468 -3.921 -1.543 22 HG21 VAL 3 3HG2 VAL 3 -3.029 -4.832 -4.856 23 HG22 VAL 3 1HG2 VAL 3 -2.780 -5.791 -3.360 24 HG23 VAL 3 2HG2 VAL 3 -3.407 -4.120 -3.260 25 H GLU 4 H GLU 4 -0.330 -1.624 -2.226 26 HA GLU 4 HA GLU 4 -2.779 -0.584 -1.112 27 HB2 GLU 4 1HB GLU 4 0.096 0.294 -0.832 28 HB3 GLU 4 2HB GLU 4 -1.249 0.895 0.119 29 HG2 GLU 4 1HG GLU 4 -1.636 -1.423 0.930 30 HG3 GLU 4 2HG GLU 4 -0.278 -1.996 -0.088 31 HE2 GLU 4 HE2 GLU 4 -0.645 -2.169 2.606 32 H GLN 5 H GLN 5 -0.409 0.874 -3.410 33 HA GLN 5 HA GLN 5 -1.735 3.427 -3.390 34 HB2 GLN 5 1HB GLN 5 0.670 2.929 -4.040 35 HB3 GLN 5 2HB GLN 5 0.126 2.267 -5.559 36 HG2 GLN 5 1HG GLN 5 -0.788 4.435 -6.250 37 HG3 GLN 5 2HG GLN 5 -0.510 5.076 -4.612 38 HE21 GLN 5 2HE2 GLN 5 1.553 5.743 -4.032 39 HE22 GLN 5 1HE2 GLN 5 2.790 5.954 -5.238 40 H CYS 6 H CYS 6 -2.009 0.572 -5.544 41 HA CYS 6 HA CYS 6 -3.663 2.096 -7.419 42 HB2 CYS 6 1HB CYS 6 -2.155 -0.466 -7.348 43 HB3 CYS 6 2HB CYS 6 -3.601 -0.423 -8.382 44 H CYS 7 H CYS 7 -4.409 -0.243 -4.857 45 HA CYS 7 HA CYS 7 -6.988 -1.044 -6.034 46 HB2 CYS 7 1HB CYS 7 -5.712 -1.485 -3.328 47 HB3 CYS 7 2HB CYS 7 -7.418 -1.793 -3.633 48 H THR 8 H THR 8 -5.850 1.802 -4.809 49 HA THR 8 HA THR 8 -8.565 2.685 -4.050 50 HB THR 8 HB THR 8 -7.106 2.541 -2.029 51 HG1 THR 8 HG1 THR 8 -7.782 4.545 -1.364 52 HG21 THR 8 1HG2 THR 8 -5.310 4.229 -1.843 53 HG22 THR 8 2HG2 THR 8 -5.490 4.626 -3.528 54 HG23 THR 8 3HG2 THR 8 -4.945 3.020 -3.051 55 H SER 9 H SER 9 -8.825 4.987 -4.597 56 HA SER 9 HA SER 9 -9.016 6.379 -6.417 57 HB2 SER 9 1HB SER 9 -6.803 7.176 -5.282 58 HB3 SER 9 2HB SER 9 -5.954 6.225 -6.518 59 HG SER 9 HG SER 9 -6.293 8.477 -7.051 60 H ILE 10 H ILE 10 -7.193 6.641 -8.774 61 HA ILE 10 HA ILE 10 -7.990 4.124 -10.225 62 HB ILE 10 HB ILE 10 -7.155 6.870 -11.288 63 HG12 ILE 10 1HG1 ILE 10 -9.251 6.958 -10.023 64 HG13 ILE 10 2HG1 ILE 10 -9.500 7.292 -11.723 65 HG21 ILE 10 1HG2 ILE 10 -6.729 5.158 -12.964 66 HG22 ILE 10 2HG2 ILE 10 -8.239 4.272 -12.578 67 HG23 ILE 10 3HG2 ILE 10 -8.278 5.840 -13.410 68 HD11 ILE 10 3HD1 ILE 10 -11.157 5.821 -10.403 69 HD12 ILE 10 1HD1 ILE 10 -10.770 5.313 -12.052 70 HD13 ILE 10 2HD1 ILE 10 -9.980 4.521 -10.656 71 H CYS 11 H CYS 11 -6.580 2.797 -11.055 72 HA CYS 11 HA CYS 11 -3.707 3.383 -10.629 73 HB2 CYS 11 1HB CYS 11 -4.826 1.168 -9.800 74 HB3 CYS 11 2HB CYS 11 -5.055 0.817 -11.502 75 H SER 12 H SER 12 -2.466 3.968 -12.250 76 HA SER 12 HA SER 12 -3.583 3.614 -14.987 77 HB2 SER 12 1HB SER 12 -1.791 5.863 -13.903 78 HB3 SER 12 2HB SER 12 -2.532 5.730 -15.511 79 HG SER 12 HG SER 12 -3.893 5.844 -13.022 80 H LEU 13 H LEU 13 -2.353 2.748 -16.524 81 HA LEU 13 HA LEU 13 0.028 1.325 -16.065 82 HB2 LEU 13 1HB LEU 13 -1.244 2.415 -18.499 83 HB3 LEU 13 2HB LEU 13 0.416 1.764 -18.663 84 HG LEU 13 HG LEU 13 -0.455 -0.437 -17.776 85 HD11 LEU 13 1HD1 LEU 13 -2.368 -0.026 -16.400 86 HD12 LEU 13 2HD1 LEU 13 -3.138 -0.627 -17.890 87 HD13 LEU 13 3HD1 LEU 13 -3.180 1.099 -17.569 88 HD21 LEU 13 3HD2 LEU 13 -2.089 0.682 -20.186 89 HD22 LEU 13 1HD2 LEU 13 -1.824 -1.056 -19.862 90 HD23 LEU 13 2HD2 LEU 13 -0.438 0.006 -20.272 91 H TYR 14 H TYR 14 -0.288 4.864 -17.211 92 HA TYR 14 HA TYR 14 2.414 5.152 -17.750 93 HB2 TYR 14 1HB TYR 14 0.386 6.694 -18.200 94 HB3 TYR 14 2HB TYR 14 0.604 7.290 -16.514 95 HD1 TYR 14 HD1 TYR 14 2.165 6.903 -19.732 96 HD2 TYR 14 HD2 TYR 14 2.529 8.702 -15.842 97 HE1 TYR 14 HE1 TYR 14 3.941 8.238 -20.591 98 HE2 TYR 14 HE2 TYR 14 3.757 10.525 -17.225 99 HH TYR 14 HH TYR 14 5.487 9.724 -20.248 100 H GLN 15 H GLN 15 0.777 5.141 -14.617 101 HA GLN 15 HA GLN 15 3.148 6.055 -13.168 102 HB2 GLN 15 1HB GLN 15 0.374 5.182 -12.397 103 HB3 GLN 15 2HB GLN 15 1.657 5.387 -11.177 104 HG2 GLN 15 1HG GLN 15 1.929 7.766 -11.951 105 HG3 GLN 15 2HG GLN 15 0.605 7.516 -13.090 106 HE21 GLN 15 2HE2 GLN 15 1.249 6.963 -9.549 107 HE22 GLN 15 1HE2 GLN 15 -0.309 7.520 -9.000 108 H LEU 16 H LEU 16 1.551 2.969 -13.865 109 HA LEU 16 HA LEU 16 3.164 1.396 -12.128 110 HB2 LEU 16 1HB LEU 16 1.800 0.709 -14.721 111 HB3 LEU 16 2HB LEU 16 2.688 -0.469 -13.765 112 HG LEU 16 HG LEU 16 0.236 1.086 -12.832 113 HD11 LEU 16 1HD1 LEU 16 -0.987 -0.928 -13.251 114 HD12 LEU 16 2HD1 LEU 16 0.488 -1.834 -13.677 115 HD13 LEU 16 3HD1 LEU 16 -0.132 -0.503 -14.712 116 HD21 LEU 16 3HD2 LEU 16 1.495 -1.341 -11.494 117 HD22 LEU 16 1HD2 LEU 16 0.069 -0.400 -10.984 118 HD23 LEU 16 2HD2 LEU 16 1.678 0.330 -10.915 119 H GLU 17 H GLU 17 3.838 2.888 -15.265 120 HA GLU 17 HA GLU 17 6.228 1.364 -15.878 121 HB2 GLU 17 1HB GLU 17 5.520 4.293 -16.301 122 HB3 GLU 17 2HB GLU 17 7.035 3.571 -16.793 123 HG2 GLU 17 1HG GLU 17 5.869 2.093 -18.289 124 HG3 GLU 17 2HG GLU 17 4.315 2.703 -17.801 125 HE2 GLU 17 HE2 GLU 17 5.944 2.840 -20.209 126 H ASN 18 H ASN 18 5.640 3.812 -13.370 127 HA ASN 18 HA ASN 18 8.446 4.459 -12.929 128 HB2 ASN 18 1HB ASN 18 6.095 4.643 -11.012 129 HB3 ASN 18 2HB ASN 18 7.662 5.340 -10.718 130 HD21 ASN 18 2HD2 ASN 18 4.990 6.567 -11.078 131 HD22 ASN 18 1HD2 ASN 18 5.212 7.774 -12.310 132 H TYR 19 H TYR 19 6.684 1.594 -12.089 133 HA TYR 19 HA TYR 19 8.628 1.007 -9.913 134 HB2 TYR 19 1HB TYR 19 6.199 -0.487 -10.959 135 HB3 TYR 19 2HB TYR 19 7.250 -1.036 -9.648 136 HD1 TYR 19 HD1 TYR 19 4.763 1.487 -10.732 137 HD2 TYR 19 HD2 TYR 19 7.137 0.061 -7.472 138 HE1 TYR 19 HE1 TYR 19 3.387 2.832 -9.151 139 HE2 TYR 19 HE2 TYR 19 5.757 1.411 -5.847 140 HH TYR 19 HH TYR 19 3.065 3.469 -6.830 141 H CYS 20 H CYS 20 8.552 0.817 -13.250 142 HA CYS 20 HA CYS 20 9.764 -1.883 -13.564 143 HB2 CYS 20 1HB CYS 20 8.423 -0.652 -15.329 144 HB3 CYS 20 2HB CYS 20 9.770 0.502 -15.457 145 H ASN 21 H ASN 21 10.704 1.059 -12.278 146 HA ASN 21 HA ASN 21 13.286 1.637 -13.112 147 HB2 ASN 21 1HB ASN 21 11.834 2.850 -11.341 148 HB3 ASN 21 2HB ASN 21 12.413 1.640 -10.123 149 HD21 ASN 21 2HD2 ASN 21 12.742 4.648 -10.363 150 HD22 ASN 21 1HD2 ASN 21 14.459 4.851 -10.308 151 HXT ASN 21 H02 ASN 21 14.845 0.798 -13.231 152 H1 PHE 1 1H PHE 1 -7.726 -2.412 -21.777 153 H2 PHE 1 2H PHE 1 -6.456 -1.774 -22.494 154 HA PHE 1 HA PHE 1 -6.289 -1.977 -20.036 155 HB2 PHE 1 1HB PHE 1 -5.861 0.778 -21.382 156 HB3 PHE 1 2HB PHE 1 -5.032 0.222 -19.920 157 HD1 PHE 1 HD2 PHE 1 -3.893 -2.417 -20.460 158 HD2 PHE 1 HD1 PHE 1 -4.554 0.884 -23.287 159 HE1 PHE 1 HE2 PHE 1 -2.167 -3.332 -21.964 160 HE2 PHE 1 HE1 PHE 1 -2.815 -0.107 -24.782 161 HZ PHE 1 HZ PHE 1 -1.672 -2.152 -24.098 162 H VAL 2 H VAL 2 -8.213 -2.173 -19.031 163 HA VAL 2 HA VAL 2 -10.193 -0.197 -18.735 164 HB VAL 2 HB VAL 2 -10.407 -2.710 -18.254 165 HG11 VAL 2 1HG1 VAL 2 -9.320 -1.969 -15.527 166 HG12 VAL 2 2HG1 VAL 2 -10.040 -3.490 -15.965 167 HG13 VAL 2 3HG1 VAL 2 -8.518 -3.023 -16.722 168 HG21 VAL 2 3HG2 VAL 2 -12.165 -0.946 -17.757 169 HG22 VAL 2 1HG2 VAL 2 -12.241 -2.502 -16.868 170 HG23 VAL 2 2HG2 VAL 2 -11.607 -1.035 -16.064 171 H ASN 3 H ASN 3 -10.783 1.190 -17.147 172 HA ASN 3 HA ASN 3 -8.539 2.452 -15.734 173 HB2 ASN 3 1HB ASN 3 -10.723 3.376 -17.026 174 HB3 ASN 3 2HB ASN 3 -11.452 3.196 -15.444 175 HD21 ASN 3 2HD2 ASN 3 -11.576 5.286 -14.667 176 HD22 ASN 3 1HD2 ASN 3 -10.281 6.440 -14.689 177 H GLN 4 H GLN 4 -10.477 3.291 -13.595 178 HA GLN 4 HA GLN 4 -11.278 2.707 -11.566 179 HB2 GLN 4 1HB GLN 4 -12.348 0.865 -13.265 180 HB3 GLN 4 2HB GLN 4 -11.644 -0.203 -12.050 181 HG2 GLN 4 1HG GLN 4 -12.974 0.874 -10.314 182 HG3 GLN 4 2HG GLN 4 -13.451 2.173 -11.426 183 HE21 GLN 4 2HE2 GLN 4 -15.582 1.920 -11.923 184 HE22 GLN 4 1HE2 GLN 4 -16.340 0.402 -12.283 185 H HIS 5 H HIS 5 -10.989 0.283 -10.127 186 HA HIS 5 HA HIS 5 -8.295 0.878 -9.045 187 HB2 HIS 5 1HB HIS 5 -10.300 -0.878 -7.726 188 HB3 HIS 5 2HB HIS 5 -9.125 0.170 -6.967 189 HD1 HIS 5 HD1 HIS 5 -9.716 2.887 -7.384 190 HD2 HIS 5 HD2 HIS 5 -12.853 0.141 -7.817 191 HE1 HIS 5 HE1 HIS 5 -11.853 4.170 -7.198 192 HE2 HIS 5 H01 HIS 5 -13.761 2.538 -7.467 193 H LEU 6 H LEU 6 -6.835 -0.388 -10.273 194 HA LEU 6 HA LEU 6 -7.364 -3.190 -10.771 195 HB2 LEU 6 1HB LEU 6 -5.073 -1.299 -11.197 196 HB3 LEU 6 2HB LEU 6 -4.749 -3.023 -11.245 197 HG LEU 6 HG LEU 6 -6.504 -3.212 -13.063 198 HD11 LEU 6 1HD1 LEU 6 -7.705 -1.035 -12.703 199 HD12 LEU 6 2HD1 LEU 6 -7.078 -1.193 -14.371 200 HD13 LEU 6 3HD1 LEU 6 -6.233 -0.160 -13.190 201 HD21 LEU 6 3HD2 LEU 6 -4.007 -3.099 -13.530 202 HD22 LEU 6 1HD2 LEU 6 -4.198 -1.344 -13.807 203 HD23 LEU 6 2HD2 LEU 6 -5.028 -2.544 -14.842 204 H CYS 7 H CYS 7 -6.896 -4.895 -9.609 205 HA CYS 7 HA CYS 7 -5.090 -4.637 -7.242 206 HB2 CYS 7 1HB CYS 7 -7.849 -5.872 -7.326 207 HB3 CYS 7 2HB CYS 7 -6.704 -6.104 -5.976 208 H AIB 8 H AIB 8 -4.649 -6.764 -6.232 209 HB11 AIB 8 1HB1 AIB 8 -5.660 -9.360 -5.843 210 HB12 AIB 8 3HB1 AIB 8 -4.983 -10.628 -6.864 211 HB13 AIB 8 1HB2 AIB 8 -6.076 -9.454 -7.555 212 HB21 AIB 8 3HB2 AIB 8 -3.483 -8.647 -5.098 213 HB22 AIB 8 2HB1 AIB 8 -2.337 -7.860 -6.171 214 HB23 AIB 8 2HB2 AIB 8 -2.517 -9.604 -6.153 215 H SER 9 H SER 9 -4.498 -10.610 -8.868 216 HA SER 9 HA SER 9 -2.123 -10.686 -10.225 217 HB2 SER 9 1HB SER 9 -3.433 -12.062 -11.886 218 HB3 SER 9 2HB SER 9 -3.499 -12.639 -10.224 219 HG SER 9 HG SER 9 -5.579 -12.626 -11.285 220 H HIS 10 H HIS 10 -5.097 -8.851 -11.005 221 HA HIS 10 HA HIS 10 -4.377 -8.226 -13.715 222 HB2 HIS 10 1HB HIS 10 -6.038 -6.584 -11.804 223 HB3 HIS 10 2HB HIS 10 -6.056 -6.493 -13.553 224 HD1 HIS 10 HD1 HIS 10 -6.797 -9.026 -14.691 225 HD2 HIS 10 HD2 HIS 10 -8.030 -8.082 -10.773 226 HE1 HIS 10 HE1 HIS 10 -8.808 -10.516 -14.160 227 HE2 HIS 10 H01 HIS 10 -9.506 -9.949 -11.773 228 H LEU 11 H LEU 11 -3.654 -6.658 -10.550 229 HA LEU 11 HA LEU 11 -2.442 -4.332 -11.765 230 HB2 LEU 11 1HB LEU 11 -3.236 -4.419 -9.459 231 HB3 LEU 11 2HB LEU 11 -2.030 -5.604 -9.044 232 HG LEU 11 HG LEU 11 -1.512 -2.713 -9.870 233 HD11 LEU 11 1HD1 LEU 11 -2.802 -3.180 -7.755 234 HD12 LEU 11 2HD1 LEU 11 -1.229 -2.400 -7.422 235 HD13 LEU 11 3HD1 LEU 11 -1.446 -4.176 -7.152 236 HD21 LEU 11 3HD2 LEU 11 0.385 -4.889 -8.714 237 HD22 LEU 11 1HD2 LEU 11 0.785 -3.162 -8.650 238 HD23 LEU 11 2HD2 LEU 11 0.673 -3.940 -10.226 239 H VAL 12 H VAL 12 -1.212 -7.496 -10.655 240 HA VAL 12 HA VAL 12 1.529 -7.008 -11.044 241 HB VAL 12 HB VAL 12 -0.012 -9.660 -11.186 242 HG11 VAL 12 1HG1 VAL 12 2.922 -9.559 -10.460 243 HG12 VAL 12 2HG1 VAL 12 1.931 -10.901 -11.094 244 HG13 VAL 12 3HG1 VAL 12 2.461 -9.600 -12.191 245 HG21 VAL 12 3HG2 VAL 12 0.876 -9.939 -8.834 246 HG22 VAL 12 1HG2 VAL 12 1.481 -8.277 -8.888 247 HG23 VAL 12 2HG2 VAL 12 -0.252 -8.593 -8.973 248 H GLU 13 H GLU 13 -0.929 -8.387 -13.162 249 HA GLU 13 HA GLU 13 0.881 -8.960 -15.297 250 HB2 GLU 13 1HB GLU 13 -1.346 -9.950 -14.874 251 HB3 GLU 13 2HB GLU 13 -2.112 -8.466 -15.454 252 HG2 GLU 13 1HG GLU 13 -1.085 -8.881 -17.709 253 HG3 GLU 13 2HG GLU 13 -0.066 -10.155 -16.975 254 HE2 GLU 13 HE2 GLU 13 -0.624 -11.800 -17.691 255 H ALA 14 H ALA 14 -1.103 -6.094 -14.491 256 HA ALA 14 HA ALA 14 -0.672 -4.824 -17.038 257 HB1 ALA 14 3HB ALA 14 -1.245 -3.689 -14.245 258 HB2 ALA 14 1HB ALA 14 -1.333 -2.767 -15.788 259 HB3 ALA 14 2HB ALA 14 -2.446 -4.119 -15.515 260 H LEU 15 H LEU 15 1.158 -4.926 -14.031 261 HA LEU 15 HA LEU 15 3.024 -2.876 -14.753 262 HB2 LEU 15 1HB LEU 15 2.385 -4.245 -12.463 263 HB3 LEU 15 2HB LEU 15 3.883 -5.057 -12.886 264 HG LEU 15 HG LEU 15 3.499 -2.071 -12.282 265 HD11 LEU 15 1HD1 LEU 15 3.426 -3.437 -10.338 266 HD12 LEU 15 2HD1 LEU 15 4.899 -2.441 -10.387 267 HD13 LEU 15 3HD1 LEU 15 5.011 -4.163 -10.787 268 HD21 LEU 15 3HD2 LEU 15 5.955 -1.884 -12.503 269 HD22 LEU 15 1HD2 LEU 15 5.167 -2.286 -14.025 270 HD23 LEU 15 2HD2 LEU 15 6.005 -3.536 -13.127 271 H TYR 16 H TYR 16 2.917 -6.384 -15.002 272 HA TYR 16 HA TYR 16 5.509 -6.882 -16.154 273 HB2 TYR 16 1HB TYR 16 3.604 -8.511 -15.391 274 HB3 TYR 16 2HB TYR 16 2.931 -8.263 -16.985 275 HD1 TYR 16 HD1 TYR 16 5.761 -9.732 -15.127 276 HD2 TYR 16 HD2 TYR 16 3.981 -9.272 -19.041 277 HE1 TYR 16 HE1 TYR 16 7.322 -11.428 -16.067 278 HE2 TYR 16 HE2 TYR 16 5.486 -11.036 -19.931 279 HH TYR 16 HH TYR 16 8.129 -12.461 -18.009 280 H LEU 17 H LEU 17 2.398 -6.031 -17.622 281 HA LEU 17 HA LEU 17 3.311 -6.186 -20.291 282 HB2 LEU 17 1HB LEU 17 0.993 -4.799 -18.984 283 HB3 LEU 17 2HB LEU 17 1.292 -4.608 -20.692 284 HG LEU 17 HG LEU 17 0.745 -7.328 -19.408 285 HD11 LEU 17 1HD1 LEU 17 -1.594 -6.978 -20.129 286 HD12 LEU 17 2HD1 LEU 17 -1.199 -5.431 -20.891 287 HD13 LEU 17 3HD1 LEU 17 -1.151 -5.585 -19.118 288 HD21 LEU 17 3HD2 LEU 17 0.450 -6.362 -22.287 289 HD22 LEU 17 1HD2 LEU 17 0.415 -8.026 -21.667 290 HD23 LEU 17 2HD2 LEU 17 1.951 -7.130 -21.697 291 H VAL 18 H VAL 18 3.368 -3.441 -17.996 292 HA VAL 18 HA VAL 18 4.200 -1.726 -20.208 293 HB VAL 18 HB VAL 18 4.493 0.073 -18.589 294 HG11 VAL 18 1HG1 VAL 18 1.878 -1.249 -17.920 295 HG12 VAL 18 2HG1 VAL 18 2.258 0.481 -17.972 296 HG13 VAL 18 3HG1 VAL 18 2.206 -0.434 -19.459 297 HG21 VAL 18 3HG2 VAL 18 3.840 -0.108 -16.191 298 HG22 VAL 18 1HG2 VAL 18 3.885 -1.879 -16.348 299 HG23 VAL 18 2HG2 VAL 18 5.356 -0.916 -16.573 300 H CYS 19 H CYS 19 5.808 -3.627 -17.742 301 HA CYS 19 HA CYS 19 8.326 -2.234 -18.236 302 HB2 CYS 19 1HB CYS 19 7.506 -3.036 -15.990 303 HB3 CYS 19 2HB CYS 19 7.852 -4.722 -16.549 304 H GLY 20 H GLY 20 6.719 -5.206 -19.142 305 HA2 GLY 20 1HA GLY 20 7.257 -6.299 -21.238 306 HA3 GLY 20 2HA GLY 20 8.981 -5.787 -20.995 307 H GLU 21 H GLU 21 8.872 -8.306 -21.578 308 HA GLU 21 HA GLU 21 8.446 -10.033 -19.384 309 HB2 GLU 21 1HB GLU 21 10.101 -10.274 -21.876 310 HB3 GLU 21 2HB GLU 21 9.737 -11.623 -20.757 311 HG2 GLU 21 1HG GLU 21 7.342 -11.469 -21.146 312 HG3 GLU 21 2HG GLU 21 7.553 -10.107 -22.240 313 HE2 GLU 21 HE2 GLU 21 7.226 -12.862 -24.349 314 H ARG 22 H ARG 22 10.884 -7.743 -19.799 315 HA ARG 22 HA ARG 22 13.180 -9.116 -18.858 316 HB2 ARG 22 1HB ARG 22 12.407 -6.209 -18.387 317 HB3 ARG 22 2HB ARG 22 14.039 -6.841 -18.272 318 HG2 ARG 22 1HG ARG 22 14.322 -6.298 -20.359 319 HG3 ARG 22 2HG ARG 22 12.989 -7.409 -20.861 320 HD2 ARG 22 1HD ARG 22 11.360 -5.627 -20.479 321 HD3 ARG 22 2HD ARG 22 12.629 -4.591 -19.830 322 HE ARG 22 HE ARG 22 13.428 -5.296 -22.451 323 HH11 ARG 22 1HH1 ARG 22 10.784 -3.419 -20.908 324 HH12 ARG 22 2HH1 ARG 22 10.647 -2.380 -22.261 325 HH21 ARG 22 1HH2 ARG 22 13.126 -3.846 -24.098 326 HH22 ARG 22 2HH2 ARG 22 11.933 -2.596 -24.043 327 H GLY 23 H GLY 23 10.315 -7.815 -17.202 328 HA2 GLY 23 1HA GLY 23 9.641 -8.555 -15.068 329 HA3 GLY 23 2HA GLY 23 11.278 -9.057 -14.651 330 H PHE 24 H PHE 24 9.639 -7.634 -12.942 331 HA PHE 24 HA PHE 24 10.964 -4.974 -12.976 332 HB2 PHE 24 1HB PHE 24 8.880 -4.127 -11.813 333 HB3 PHE 24 2HB PHE 24 8.745 -4.501 -13.522 334 HD1 PHE 24 HD1 PHE 24 7.924 -5.744 -10.084 335 HD2 PHE 24 HD2 PHE 24 7.309 -6.175 -14.323 336 HE1 PHE 24 HE1 PHE 24 5.957 -7.193 -9.607 337 HE2 PHE 24 HE2 PHE 24 5.306 -7.697 -13.839 338 HZ PHE 24 HZ PHE 24 4.681 -8.199 -11.509 339 H PHE 25 H PHE 25 10.658 -3.930 -10.702 340 HA PHE 25 HA PHE 25 12.301 -5.606 -9.033 341 HB2 PHE 25 1HB PHE 25 12.163 -2.938 -9.664 342 HB3 PHE 25 2HB PHE 25 11.507 -2.907 -8.060 343 HD1 PHE 25 HD2 PHE 25 12.913 -3.627 -6.052 344 HD2 PHE 25 HD1 PHE 25 14.479 -3.530 -10.091 345 HE1 PHE 25 HE2 PHE 25 15.178 -3.753 -5.146 346 HE2 PHE 25 HE1 PHE 25 16.796 -3.520 -9.135 347 HZ PHE 25 HZ PHE 25 17.149 -3.616 -6.652 348 H TYR 26 H TYR 26 11.669 -4.555 -6.543 349 HA TYR 26 HA TYR 26 10.396 -4.795 -4.642 350 HB2 TYR 26 1HB TYR 26 8.644 -3.598 -5.975 351 HB3 TYR 26 2HB TYR 26 7.970 -5.153 -6.454 352 HD1 TYR 26 HD2 TYR 26 8.609 -2.861 -3.501 353 HD2 TYR 26 HD1 TYR 26 6.519 -6.404 -4.908 354 HE1 TYR 26 HE2 TYR 26 7.169 -2.827 -1.481 355 HE2 TYR 26 HE1 TYR 26 5.133 -6.382 -2.895 356 HH TYR 26 HH TYR 26 5.581 -4.020 -0.229 357 H THR 27 H THR 27 10.801 -6.528 -3.436 358 HA THR 27 HA THR 27 10.962 -8.728 -2.802 359 HB THR 27 HB THR 27 8.281 -9.345 -4.007 360 HG1 THR 27 HG1 THR 27 7.471 -8.089 -2.125 361 HG21 THR 27 1HG2 THR 27 7.959 -10.327 -1.703 362 HG22 THR 27 2HG2 THR 27 9.606 -9.766 -1.259 363 HG23 THR 27 3HG2 THR 27 9.389 -11.004 -2.527 364 H LYS 28 H LYS 28 12.360 -8.558 -5.200 365 HA LYS 28 HA LYS 28 11.528 -10.769 -6.952 366 HB2 LYS 28 1HB LYS 28 14.139 -9.274 -6.591 367 HB3 LYS 28 2HB LYS 28 13.855 -10.516 -7.834 368 HG2 LYS 28 1HG LYS 28 12.055 -9.182 -8.807 369 HG3 LYS 28 2HG LYS 28 12.365 -7.863 -7.644 370 HD2 LYS 28 1HD LYS 28 14.358 -8.904 -9.668 371 HD3 LYS 28 2HD LYS 28 13.415 -7.411 -9.849 372 HE2 LYS 28 1HE LYS 28 14.513 -6.361 -7.946 373 HE3 LYS 28 2HE LYS 28 15.400 -7.866 -7.596 374 HZ1 LYS 28 3HZ LYS 28 15.638 -6.256 -10.069 375 HZ2 LYS 28 1HZ LYS 28 16.329 -7.729 -9.861 376 HZ3 LYS 28 2HZ LYS 28 16.782 -6.392 -8.909 377 HA PRO 29 HA PRO 29 13.355 -13.601 -3.930 378 HB2 PRO 29 1HB PRO 29 12.798 -15.797 -5.903 379 HB3 PRO 29 2HB PRO 29 12.269 -15.686 -4.238 380 HG2 PRO 29 1HG PRO 29 10.398 -15.243 -6.174 381 HG3 PRO 29 2HG PRO 29 10.481 -14.100 -4.818 382 HD2 PRO 29 1HD PRO 29 11.934 -13.856 -7.512 383 HD3 PRO 29 2HD PRO 29 10.748 -12.767 -6.803 384 H THR 30 H THR 30 15.493 -13.250 -3.900 385 HA THR 30 HA THR 30 17.255 -14.924 -5.279 386 HB THR 30 HB THR 30 16.858 -13.260 -7.103 387 HG1 THR 30 HG1 THR 30 19.064 -12.887 -7.481 388 HG21 THR 30 1HG2 THR 30 18.192 -11.273 -5.239 389 HG22 THR 30 2HG2 THR 30 16.490 -11.161 -5.724 390 HG23 THR 30 3HG2 THR 30 17.791 -10.964 -6.917 391 HXT THR 30 H02 THR 30 19.340 -14.041 -4.967 Start of MODEL 25 1 H1 GLY 1 1H GLY 1 2.248 2.451 -0.258 2 H2 GLY 1 2H GLY 1 3.065 1.512 0.815 3 HA2 GLY 1 1HA GLY 1 3.894 1.159 -1.399 4 HA3 GLY 1 2HA GLY 1 3.196 -0.269 -0.745 5 H ILE 2 H ILE 2 3.326 -0.852 -3.081 6 HA ILE 2 HA ILE 2 1.775 0.424 -5.051 7 HB ILE 2 HB ILE 2 2.219 -2.600 -4.755 8 HG12 ILE 2 1HG1 ILE 2 4.020 -0.568 -6.185 9 HG13 ILE 2 2HG1 ILE 2 4.331 -1.267 -4.593 10 HG21 ILE 2 1HG2 ILE 2 2.036 -2.628 -7.269 11 HG22 ILE 2 2HG2 ILE 2 0.553 -2.185 -6.498 12 HG23 ILE 2 3HG2 ILE 2 1.576 -0.947 -7.240 13 HD11 ILE 2 3HD1 ILE 2 4.186 -2.967 -7.092 14 HD12 ILE 2 1HD1 ILE 2 5.690 -2.340 -6.313 15 HD13 ILE 2 2HD1 ILE 2 4.597 -3.476 -5.439 16 H VAL 3 H VAL 3 0.689 -2.090 -2.728 17 HA VAL 3 HA VAL 3 -1.934 -2.389 -3.734 18 HB VAL 3 HB VAL 3 -0.895 -4.042 -2.197 19 HG11 VAL 3 1HG1 VAL 3 -0.297 -3.617 0.048 20 HG12 VAL 3 2HG1 VAL 3 0.174 -2.092 -0.673 21 HG13 VAL 3 3HG1 VAL 3 -1.365 -2.192 0.200 22 HG21 VAL 3 3HG2 VAL 3 -3.306 -2.917 -0.738 23 HG22 VAL 3 1HG2 VAL 3 -3.455 -3.650 -2.317 24 HG23 VAL 3 2HG2 VAL 3 -2.851 -4.598 -0.991 25 H GLU 4 H GLU 4 -0.572 -0.190 -1.289 26 HA GLU 4 HA GLU 4 -3.101 0.824 -0.444 27 HB2 GLU 4 1HB GLU 4 -0.680 0.958 0.597 28 HB3 GLU 4 2HB GLU 4 -0.500 2.379 -0.394 29 HG2 GLU 4 1HG GLU 4 -1.249 3.328 1.642 30 HG3 GLU 4 2HG GLU 4 -2.752 3.179 0.742 31 HE2 GLU 4 HE2 GLU 4 -3.902 1.774 3.639 32 H GLN 5 H GLN 5 -0.864 1.764 -3.039 33 HA GLN 5 HA GLN 5 -2.354 4.308 -3.469 34 HB2 GLN 5 1HB GLN 5 0.186 3.896 -3.748 35 HB3 GLN 5 2HB GLN 5 -0.182 3.041 -5.229 36 HG2 GLN 5 1HG GLN 5 -1.367 5.202 -6.006 37 HG3 GLN 5 2HG GLN 5 -0.638 5.978 -4.577 38 HE21 GLN 5 2HE2 GLN 5 1.795 5.572 -4.407 39 HE22 GLN 5 1HE2 GLN 5 2.691 5.808 -5.910 40 H CYS 6 H CYS 6 -1.952 1.122 -5.074 41 HA CYS 6 HA CYS 6 -3.730 2.061 -7.347 42 HB2 CYS 6 1HB CYS 6 -1.445 0.112 -7.301 43 HB3 CYS 6 2HB CYS 6 -2.457 0.417 -8.706 44 H CYS 7 H CYS 7 -3.790 -0.193 -4.720 45 HA CYS 7 HA CYS 7 -5.575 -1.995 -6.338 46 HB2 CYS 7 1HB CYS 7 -3.973 -3.015 -4.633 47 HB3 CYS 7 2HB CYS 7 -4.855 -2.080 -3.377 48 H THR 8 H THR 8 -5.658 0.435 -3.750 49 HA THR 8 HA THR 8 -8.566 0.076 -3.345 50 HB THR 8 HB THR 8 -6.935 1.001 -1.575 51 HG1 THR 8 HG1 THR 8 -9.323 2.271 -2.376 52 HG21 THR 8 1HG2 THR 8 -5.725 2.574 -3.178 53 HG22 THR 8 2HG2 THR 8 -6.296 3.362 -1.669 54 HG23 THR 8 3HG2 THR 8 -7.215 3.597 -3.179 55 H SER 9 H SER 9 -6.665 1.596 -5.740 56 HA SER 9 HA SER 9 -9.085 3.000 -6.821 57 HB2 SER 9 1HB SER 9 -7.287 4.579 -5.728 58 HB3 SER 9 2HB SER 9 -6.170 4.035 -6.988 59 HG SER 9 HG SER 9 -7.331 5.962 -7.517 60 H ILE 10 H ILE 10 -7.850 3.738 -9.189 61 HA ILE 10 HA ILE 10 -6.558 1.290 -10.307 62 HB ILE 10 HB ILE 10 -8.473 3.116 -11.811 63 HG12 ILE 10 1HG1 ILE 10 -9.681 0.649 -11.922 64 HG13 ILE 10 2HG1 ILE 10 -8.940 0.604 -10.316 65 HG21 ILE 10 1HG2 ILE 10 -8.306 1.471 -13.643 66 HG22 ILE 10 2HG2 ILE 10 -6.731 2.195 -13.256 67 HG23 ILE 10 3HG2 ILE 10 -7.096 0.521 -12.678 68 HD11 ILE 10 3HD1 ILE 10 -10.965 2.632 -11.366 69 HD12 ILE 10 1HD1 ILE 10 -11.267 1.333 -10.201 70 HD13 ILE 10 2HD1 ILE 10 -10.208 2.710 -9.782 71 H CYS 11 H CYS 11 -4.494 1.924 -10.651 72 HA CYS 11 HA CYS 11 -3.839 4.691 -11.262 73 HB2 CYS 11 1HB CYS 11 -2.229 2.183 -11.049 74 HB3 CYS 11 2HB CYS 11 -1.489 3.771 -11.332 75 H SER 12 H SER 12 -2.619 5.345 -13.006 76 HA SER 12 HA SER 12 -3.476 4.156 -15.557 77 HB2 SER 12 1HB SER 12 -1.552 6.444 -15.135 78 HB3 SER 12 2HB SER 12 -2.546 6.103 -16.566 79 HG SER 12 HG SER 12 -4.118 6.235 -14.454 80 H LEU 13 H LEU 13 -1.892 3.541 -17.339 81 HA LEU 13 HA LEU 13 0.067 1.777 -16.345 82 HB2 LEU 13 1HB LEU 13 -0.212 2.949 -19.117 83 HB3 LEU 13 2HB LEU 13 0.847 1.627 -18.731 84 HG LEU 13 HG LEU 13 -2.173 1.533 -18.127 85 HD11 LEU 13 1HD1 LEU 13 -1.789 1.621 -20.564 86 HD12 LEU 13 2HD1 LEU 13 -2.313 0.018 -20.029 87 HD13 LEU 13 3HD1 LEU 13 -0.640 0.307 -20.411 88 HD21 LEU 13 3HD2 LEU 13 -0.854 0.051 -16.639 89 HD22 LEU 13 1HD2 LEU 13 -0.012 -0.680 -17.997 90 HD23 LEU 13 2HD2 LEU 13 -1.763 -0.872 -17.819 91 H TYR 14 H TYR 14 0.454 5.153 -17.482 92 HA TYR 14 HA TYR 14 3.256 5.299 -17.424 93 HB2 TYR 14 1HB TYR 14 1.539 7.036 -18.080 94 HB3 TYR 14 2HB TYR 14 1.305 7.544 -16.393 95 HD1 TYR 14 HD1 TYR 14 3.772 7.319 -19.157 96 HD2 TYR 14 HD2 TYR 14 3.114 8.621 -15.076 97 HE1 TYR 14 HE1 TYR 14 5.816 8.657 -19.232 98 HE2 TYR 14 HE2 TYR 14 4.712 10.541 -15.850 99 HH TYR 14 HH TYR 14 7.456 9.725 -18.091 100 H GLN 15 H GLN 15 0.884 5.721 -14.652 101 HA GLN 15 HA GLN 15 2.997 6.119 -12.694 102 HB2 GLN 15 1HB GLN 15 0.282 4.887 -12.267 103 HB3 GLN 15 2HB GLN 15 1.368 5.506 -11.005 104 HG2 GLN 15 1HG GLN 15 1.114 7.738 -11.770 105 HG3 GLN 15 2HG GLN 15 0.180 7.278 -13.176 106 HE21 GLN 15 2HE2 GLN 15 0.118 7.719 -9.753 107 HE22 GLN 15 1HE2 GLN 15 -1.548 7.543 -9.535 108 H LEU 16 H LEU 16 1.348 3.149 -13.757 109 HA LEU 16 HA LEU 16 2.713 1.373 -12.074 110 HB2 LEU 16 1HB LEU 16 1.036 1.249 -14.420 111 HB3 LEU 16 2HB LEU 16 2.313 0.004 -14.467 112 HG LEU 16 HG LEU 16 1.677 -0.862 -12.294 113 HD11 LEU 16 1HD1 LEU 16 0.642 1.180 -11.362 114 HD12 LEU 16 2HD1 LEU 16 -0.412 -0.235 -11.248 115 HD13 LEU 16 3HD1 LEU 16 -0.693 0.986 -12.506 116 HD21 LEU 16 3HD2 LEU 16 -0.449 -1.877 -13.127 117 HD22 LEU 16 1HD2 LEU 16 0.804 -1.834 -14.370 118 HD23 LEU 16 2HD2 LEU 16 -0.518 -0.652 -14.404 119 H GLU 17 H GLU 17 3.904 2.965 -15.025 120 HA GLU 17 HA GLU 17 6.148 1.241 -15.392 121 HB2 GLU 17 1HB GLU 17 5.947 4.276 -15.839 122 HB3 GLU 17 2HB GLU 17 7.355 3.300 -16.219 123 HG2 GLU 17 1HG GLU 17 5.964 1.926 -17.722 124 HG3 GLU 17 2HG GLU 17 4.574 2.992 -17.470 125 HE2 GLU 17 HE2 GLU 17 7.399 3.870 -19.978 126 H ASN 18 H ASN 18 5.516 3.609 -12.778 127 HA ASN 18 HA ASN 18 8.283 4.005 -12.109 128 HB2 ASN 18 1HB ASN 18 5.800 4.255 -10.456 129 HB3 ASN 18 2HB ASN 18 7.342 4.801 -9.906 130 HD21 ASN 18 2HD2 ASN 18 4.792 6.227 -10.471 131 HD22 ASN 18 1HD2 ASN 18 5.182 7.449 -11.617 132 H TYR 19 H TYR 19 6.063 1.334 -11.558 133 HA TYR 19 HA TYR 19 7.638 0.325 -9.240 134 HB2 TYR 19 1HB TYR 19 5.371 -0.909 -10.856 135 HB3 TYR 19 2HB TYR 19 6.012 -1.529 -9.309 136 HD1 TYR 19 HD2 TYR 19 6.255 0.900 -7.613 137 HD2 TYR 19 HD1 TYR 19 3.205 -0.031 -10.525 138 HE1 TYR 19 HE2 TYR 19 4.637 2.288 -6.301 139 HE2 TYR 19 HE1 TYR 19 1.610 1.383 -9.249 140 HH TYR 19 HH TYR 19 1.210 2.620 -7.503 141 H CYS 20 H CYS 20 7.955 0.276 -12.628 142 HA CYS 20 HA CYS 20 9.527 -2.285 -12.556 143 HB2 CYS 20 1HB CYS 20 7.894 -1.694 -14.485 144 HB3 CYS 20 2HB CYS 20 9.098 -0.488 -14.937 145 H ASN 21 H ASN 21 9.692 1.141 -12.399 146 HA ASN 21 HA ASN 21 12.215 1.511 -13.803 147 HB2 ASN 21 1HB ASN 21 10.299 3.253 -13.503 148 HB3 ASN 21 2HB ASN 21 10.991 3.503 -11.837 149 HD21 ASN 21 2HD2 ASN 21 11.215 4.898 -14.866 150 HD22 ASN 21 1HD2 ASN 21 12.869 5.304 -14.856 151 HXT ASN 21 H02 ASN 21 13.909 1.058 -13.237 152 H1 PHE 1 1H PHE 1 -8.526 -2.616 -22.410 153 H2 PHE 1 2H PHE 1 -8.736 -4.231 -22.556 154 HA PHE 1 HA PHE 1 -6.876 -4.687 -21.082 155 HB2 PHE 1 1HB PHE 1 -5.483 -2.814 -21.759 156 HB3 PHE 1 2HB PHE 1 -6.664 -1.732 -21.101 157 HD1 PHE 1 HD1 PHE 1 -4.363 -4.393 -19.947 158 HD2 PHE 1 HD2 PHE 1 -6.687 -0.941 -19.073 159 HE1 PHE 1 HE1 PHE 1 -3.331 -4.318 -17.633 160 HE2 PHE 1 HE2 PHE 1 -5.727 -0.825 -16.761 161 HZ PHE 1 HZ PHE 1 -4.054 -2.541 -16.078 162 H VAL 2 H VAL 2 -7.308 -5.052 -18.952 163 HA VAL 2 HA VAL 2 -9.992 -4.382 -18.113 164 HB VAL 2 HB VAL 2 -7.937 -6.156 -16.624 165 HG11 VAL 2 1HG1 VAL 2 -9.820 -6.796 -15.201 166 HG12 VAL 2 2HG1 VAL 2 -9.770 -4.997 -15.225 167 HG13 VAL 2 3HG1 VAL 2 -10.972 -5.910 -16.196 168 HG21 VAL 2 3HG2 VAL 2 -8.584 -7.351 -18.664 169 HG22 VAL 2 1HG2 VAL 2 -9.533 -8.040 -17.310 170 HG23 VAL 2 2HG2 VAL 2 -10.301 -6.875 -18.441 171 H ASN 3 H ASN 3 -9.858 -2.171 -17.866 172 HA ASN 3 HA ASN 3 -7.807 -1.063 -16.019 173 HB2 ASN 3 1HB ASN 3 -8.675 -0.018 -18.118 174 HB3 ASN 3 2HB ASN 3 -10.243 0.282 -17.339 175 HD21 ASN 3 2HD2 ASN 3 -10.396 2.296 -16.718 176 HD22 ASN 3 1HD2 ASN 3 -9.134 3.286 -16.084 177 H GLN 4 H GLN 4 -8.641 -2.627 -14.316 178 HA GLN 4 HA GLN 4 -10.791 -1.250 -12.803 179 HB2 GLN 4 1HB GLN 4 -11.486 -3.506 -13.870 180 HB3 GLN 4 2HB GLN 4 -10.274 -4.269 -12.875 181 HG2 GLN 4 1HG GLN 4 -12.584 -4.487 -11.989 182 HG3 GLN 4 2HG GLN 4 -11.559 -3.598 -10.877 183 HE21 GLN 4 2HE2 GLN 4 -14.300 -3.325 -13.073 184 HE22 GLN 4 1HE2 GLN 4 -14.777 -1.714 -12.572 185 H HIS 5 H HIS 5 -10.477 -2.079 -10.367 186 HA HIS 5 HA HIS 5 -8.161 -1.218 -9.226 187 HB2 HIS 5 1HB HIS 5 -9.927 -3.524 -8.373 188 HB3 HIS 5 2HB HIS 5 -8.648 -2.815 -7.391 189 HD1 HIS 5 HD1 HIS 5 -9.132 -0.312 -6.418 190 HD2 HIS 5 HD2 HIS 5 -12.339 -2.017 -8.541 191 HE1 HIS 5 HE1 HIS 5 -11.157 1.109 -6.003 192 HE2 HIS 5 H01 HIS 5 -13.113 0.067 -7.219 193 H LEU 6 H LEU 6 -6.170 -1.595 -9.365 194 HA LEU 6 HA LEU 6 -5.250 -4.071 -10.640 195 HB2 LEU 6 1HB LEU 6 -3.783 -1.479 -9.959 196 HB3 LEU 6 2HB LEU 6 -3.088 -2.826 -10.903 197 HG LEU 6 HG LEU 6 -5.516 -1.216 -11.793 198 HD11 LEU 6 1HD1 LEU 6 -2.569 -1.040 -12.621 199 HD12 LEU 6 2HD1 LEU 6 -3.547 0.237 -11.881 200 HD13 LEU 6 3HD1 LEU 6 -3.909 -0.271 -13.529 201 HD21 LEU 6 3HD2 LEU 6 -3.750 -3.225 -13.301 202 HD22 LEU 6 1HD2 LEU 6 -5.129 -2.329 -13.978 203 HD23 LEU 6 2HD2 LEU 6 -5.417 -3.544 -12.738 204 H CYS 7 H CYS 7 -5.561 -5.469 -8.937 205 HA CYS 7 HA CYS 7 -3.400 -5.399 -6.826 206 HB2 CYS 7 1HB CYS 7 -5.984 -6.841 -6.408 207 HB3 CYS 7 2HB CYS 7 -4.839 -6.190 -5.223 208 H AIB 8 H AIB 8 -3.031 -7.666 -6.084 209 HB11 AIB 8 1HB1 AIB 8 -4.311 -10.281 -5.624 210 HB12 AIB 8 3HB1 AIB 8 -3.836 -11.436 -6.807 211 HB13 AIB 8 1HB2 AIB 8 -5.049 -10.227 -7.223 212 HB21 AIB 8 3HB2 AIB 8 -1.200 -10.670 -6.510 213 HB22 AIB 8 2HB1 AIB 8 -1.943 -9.836 -5.177 214 HB23 AIB 8 2HB2 AIB 8 -0.934 -9.002 -6.320 215 H SER 9 H SER 9 -3.791 -11.311 -8.938 216 HA SER 9 HA SER 9 -1.580 -11.442 -10.758 217 HB2 SER 9 1HB SER 9 -3.523 -13.112 -10.553 218 HB3 SER 9 2HB SER 9 -4.475 -12.049 -11.595 219 HG SER 9 HG SER 9 -3.221 -13.671 -12.753 220 H HIS 10 H HIS 10 -4.381 -9.178 -10.768 221 HA HIS 10 HA HIS 10 -3.879 -8.545 -13.605 222 HB2 HIS 10 1HB HIS 10 -5.024 -6.268 -12.180 223 HB3 HIS 10 2HB HIS 10 -5.748 -7.208 -13.500 224 HD1 HIS 10 HD1 HIS 10 -7.036 -6.047 -10.508 225 HD2 HIS 10 HD2 HIS 10 -6.309 -10.067 -11.757 226 HE1 HIS 10 HE1 HIS 10 -8.456 -7.535 -9.090 227 HE2 HIS 10 H01 HIS 10 -8.093 -9.929 -9.798 228 H LEU 11 H LEU 11 -2.798 -7.352 -10.478 229 HA LEU 11 HA LEU 11 -1.611 -4.964 -11.581 230 HB2 LEU 11 1HB LEU 11 -2.127 -5.253 -9.234 231 HB3 LEU 11 2HB LEU 11 -0.994 -6.578 -9.110 232 HG LEU 11 HG LEU 11 -0.367 -4.384 -8.066 233 HD11 LEU 11 1HD1 LEU 11 1.942 -4.539 -8.559 234 HD12 LEU 11 2HD1 LEU 11 1.609 -5.281 -10.149 235 HD13 LEU 11 3HD1 LEU 11 1.280 -6.162 -8.663 236 HD21 LEU 11 3HD2 LEU 11 0.562 -2.607 -9.534 237 HD22 LEU 11 1HD2 LEU 11 -1.171 -2.862 -9.827 238 HD23 LEU 11 2HD2 LEU 11 0.020 -3.526 -10.969 239 H VAL 12 H VAL 12 -0.334 -8.279 -10.977 240 HA VAL 12 HA VAL 12 2.361 -7.729 -11.908 241 HB VAL 12 HB VAL 12 0.821 -10.386 -11.810 242 HG11 VAL 12 1HG1 VAL 12 2.678 -10.655 -13.339 243 HG12 VAL 12 2HG1 VAL 12 3.729 -9.683 -12.319 244 HG13 VAL 12 3HG1 VAL 12 3.254 -11.322 -11.802 245 HG21 VAL 12 3HG2 VAL 12 2.768 -9.172 -9.867 246 HG22 VAL 12 1HG2 VAL 12 1.011 -9.350 -9.626 247 HG23 VAL 12 2HG2 VAL 12 2.064 -10.800 -9.741 248 H GLU 13 H GLU 13 -0.606 -8.955 -13.605 249 HA GLU 13 HA GLU 13 0.641 -9.430 -16.114 250 HB2 GLU 13 1HB GLU 13 -1.608 -10.207 -15.520 251 HB3 GLU 13 2HB GLU 13 -2.204 -8.565 -15.391 252 HG2 GLU 13 1HG GLU 13 -1.611 -8.328 -17.871 253 HG3 GLU 13 2HG GLU 13 -1.269 -10.069 -17.893 254 HE2 GLU 13 HE2 GLU 13 -4.566 -9.617 -19.007 255 H ALA 14 H ALA 14 -1.057 -6.476 -14.905 256 HA ALA 14 HA ALA 14 -0.670 -4.863 -17.234 257 HB1 ALA 14 3HB ALA 14 -0.933 -4.125 -14.320 258 HB2 ALA 14 1HB ALA 14 -1.053 -2.944 -15.638 259 HB3 ALA 14 2HB ALA 14 -2.243 -4.255 -15.502 260 H LEU 15 H LEU 15 1.454 -5.397 -14.326 261 HA LEU 15 HA LEU 15 3.394 -3.416 -15.060 262 HB2 LEU 15 1HB LEU 15 3.024 -5.378 -13.044 263 HB3 LEU 15 2HB LEU 15 4.612 -5.698 -13.674 264 HG LEU 15 HG LEU 15 3.628 -3.009 -12.545 265 HD11 LEU 15 1HD1 LEU 15 5.118 -3.589 -10.613 266 HD12 LEU 15 2HD1 LEU 15 5.471 -5.148 -11.363 267 HD13 LEU 15 3HD1 LEU 15 3.826 -4.775 -10.800 268 HD21 LEU 15 3HD2 LEU 15 6.205 -2.627 -12.422 269 HD22 LEU 15 1HD2 LEU 15 5.417 -2.459 -14.008 270 HD23 LEU 15 2HD2 LEU 15 6.321 -3.936 -13.604 271 H TYR 16 H TYR 16 3.129 -6.864 -15.890 272 HA TYR 16 HA TYR 16 5.617 -7.194 -17.244 273 HB2 TYR 16 1HB TYR 16 4.082 -8.968 -16.326 274 HB3 TYR 16 2HB TYR 16 2.983 -8.658 -17.697 275 HD1 TYR 16 HD2 TYR 16 6.676 -9.386 -17.106 276 HD2 TYR 16 HD1 TYR 16 3.256 -9.962 -19.659 277 HE1 TYR 16 HE2 TYR 16 7.997 -10.958 -18.512 278 HE2 TYR 16 HE1 TYR 16 4.625 -11.471 -21.065 279 HH TYR 16 HH TYR 16 8.025 -12.257 -20.245 280 H LEU 17 H LEU 17 2.349 -6.396 -18.399 281 HA LEU 17 HA LEU 17 3.052 -6.213 -21.144 282 HB2 LEU 17 1HB LEU 17 0.802 -4.914 -19.513 283 HB3 LEU 17 2HB LEU 17 0.888 -4.860 -21.288 284 HG LEU 17 HG LEU 17 0.615 -7.353 -19.642 285 HD11 LEU 17 1HD1 LEU 17 -1.416 -5.976 -19.596 286 HD12 LEU 17 2HD1 LEU 17 -1.612 -7.537 -20.430 287 HD13 LEU 17 3HD1 LEU 17 -1.460 -6.016 -21.336 288 HD21 LEU 17 3HD2 LEU 17 0.213 -8.551 -21.691 289 HD22 LEU 17 1HD2 LEU 17 1.783 -7.800 -21.785 290 HD23 LEU 17 2HD2 LEU 17 0.435 -7.068 -22.635 291 H VAL 18 H VAL 18 2.943 -3.716 -18.533 292 HA VAL 18 HA VAL 18 3.379 -1.635 -20.461 293 HB VAL 18 HB VAL 18 2.321 -1.472 -18.178 294 HG11 VAL 18 1HG1 VAL 18 3.803 -0.645 -16.333 295 HG12 VAL 18 2HG1 VAL 18 4.190 -2.323 -16.749 296 HG13 VAL 18 3HG1 VAL 18 5.275 -1.013 -17.302 297 HG21 VAL 18 3HG2 VAL 18 2.963 0.959 -18.058 298 HG22 VAL 18 1HG2 VAL 18 4.345 0.629 -19.128 299 HG23 VAL 18 2HG2 VAL 18 2.688 0.411 -19.715 300 H CYS 19 H CYS 19 5.529 -3.777 -18.571 301 HA CYS 19 HA CYS 19 7.790 -2.001 -19.298 302 HB2 CYS 19 1HB CYS 19 7.292 -3.101 -16.928 303 HB3 CYS 19 2HB CYS 19 8.169 -4.456 -17.627 304 H GLY 20 H GLY 20 6.302 -4.920 -20.369 305 HA2 GLY 20 1HA GLY 20 6.967 -5.820 -22.453 306 HA3 GLY 20 2HA GLY 20 8.610 -5.206 -22.247 307 H GLU 21 H GLU 21 9.037 -7.534 -23.007 308 HA GLU 21 HA GLU 21 8.302 -9.726 -21.262 309 HB2 GLU 21 1HB GLU 21 10.599 -9.467 -23.269 310 HB3 GLU 21 2HB GLU 21 9.979 -10.985 -22.539 311 HG2 GLU 21 1HG GLU 21 7.880 -10.683 -23.630 312 HG3 GLU 21 2HG GLU 21 8.447 -9.140 -24.346 313 HE2 GLU 21 HE2 GLU 21 8.834 -11.609 -26.814 314 H ARG 22 H ARG 22 10.817 -7.350 -21.220 315 HA ARG 22 HA ARG 22 12.861 -8.872 -19.916 316 HB2 ARG 22 1HB ARG 22 12.394 -5.903 -19.596 317 HB3 ARG 22 2HB ARG 22 13.940 -6.770 -19.567 318 HG2 ARG 22 1HG ARG 22 12.228 -6.184 -22.033 319 HG3 ARG 22 2HG ARG 22 13.849 -5.591 -21.609 320 HD2 ARG 22 1HD ARG 22 14.843 -7.710 -22.057 321 HD3 ARG 22 2HD ARG 22 13.256 -8.539 -22.040 322 HE ARG 22 HE ARG 22 13.710 -6.404 -24.031 323 HH11 ARG 22 1HH1 ARG 22 13.744 -9.908 -23.477 324 HH12 ARG 22 2HH1 ARG 22 13.558 -10.255 -25.190 325 HH21 ARG 22 1HH2 ARG 22 13.455 -6.955 -26.194 326 HH22 ARG 22 2HH2 ARG 22 13.380 -8.669 -26.686 327 H GLY 23 H GLY 23 10.065 -7.050 -18.928 328 HA2 GLY 23 1HA GLY 23 8.818 -7.253 -16.905 329 HA3 GLY 23 2HA GLY 23 9.965 -8.569 -16.526 330 H PHE 24 H PHE 24 9.231 -7.289 -14.417 331 HA PHE 24 HA PHE 24 11.189 -5.143 -13.839 332 HB2 PHE 24 1HB PHE 24 10.163 -5.518 -11.472 333 HB3 PHE 24 2HB PHE 24 9.083 -4.862 -12.713 334 HD1 PHE 24 HD1 PHE 24 7.370 -6.212 -13.830 335 HD2 PHE 24 HD2 PHE 24 9.650 -7.672 -10.485 336 HE1 PHE 24 HE1 PHE 24 5.632 -8.044 -13.482 337 HE2 PHE 24 HE2 PHE 24 7.956 -9.525 -10.131 338 HZ PHE 24 HZ PHE 24 5.942 -9.681 -11.677 339 H PHE 25 H PHE 25 10.669 -8.569 -13.594 340 HA PHE 25 HA PHE 25 11.669 -10.305 -12.792 341 HB2 PHE 25 1HB PHE 25 13.684 -10.710 -13.609 342 HB3 PHE 25 2HB PHE 25 13.220 -9.326 -14.580 343 HD1 PHE 25 HD1 PHE 25 15.414 -10.516 -11.813 344 HD2 PHE 25 HD2 PHE 25 14.475 -7.252 -14.456 345 HE1 PHE 25 HE1 PHE 25 17.470 -9.426 -11.129 346 HE2 PHE 25 HE2 PHE 25 16.633 -6.108 -13.736 347 HZ PHE 25 HZ PHE 25 18.082 -7.169 -12.063 348 H TYR 26 H TYR 26 12.549 -11.555 -11.256 349 HA TYR 26 HA TYR 26 14.068 -10.334 -9.046 350 HB2 TYR 26 1HB TYR 26 11.520 -11.988 -8.700 351 HB3 TYR 26 2HB TYR 26 12.815 -12.032 -7.528 352 HD1 TYR 26 HD2 TYR 26 13.710 -9.720 -6.536 353 HD2 TYR 26 HD1 TYR 26 9.909 -10.224 -8.550 354 HE1 TYR 26 HE2 TYR 26 12.795 -7.586 -5.523 355 HE2 TYR 26 HE1 TYR 26 9.014 -8.057 -7.492 356 HH TYR 26 HH TYR 26 9.764 -6.154 -6.378 357 H THR 27 H THR 27 15.708 -11.716 -8.232 358 HA THR 27 HA THR 27 15.750 -14.522 -9.360 359 HB THR 27 HB THR 27 18.264 -14.158 -9.454 360 HG1 THR 27 HG1 THR 27 18.983 -12.051 -9.375 361 HG21 THR 27 1HG2 THR 27 16.592 -12.321 -11.244 362 HG22 THR 27 2HG2 THR 27 16.715 -14.084 -11.451 363 HG23 THR 27 3HG2 THR 27 18.139 -13.048 -11.659 364 H LYS 28 H LYS 28 14.640 -14.737 -7.252 365 HA LYS 28 HA LYS 28 16.358 -14.545 -4.904 366 HB2 LYS 28 1HB LYS 28 13.369 -14.991 -5.232 367 HB3 LYS 28 2HB LYS 28 14.213 -14.970 -3.658 368 HG2 LYS 28 1HG LYS 28 14.874 -12.603 -3.991 369 HG3 LYS 28 2HG LYS 28 14.208 -12.636 -5.640 370 HD2 LYS 28 1HD LYS 28 12.492 -11.611 -4.418 371 HD3 LYS 28 2HD LYS 28 11.944 -13.285 -4.552 372 HE2 LYS 28 1HE LYS 28 12.803 -13.790 -2.315 373 HE3 LYS 28 2HE LYS 28 13.397 -12.101 -2.172 374 HZ1 LYS 28 3HZ LYS 28 11.053 -11.412 -2.542 375 HZ2 LYS 28 1HZ LYS 28 11.241 -12.259 -1.178 376 HZ3 LYS 28 2HZ LYS 28 10.601 -12.991 -2.531 377 HA PRO 29 HA PRO 29 16.739 -19.008 -5.639 378 HB2 PRO 29 1HB PRO 29 19.136 -19.354 -4.260 379 HB3 PRO 29 2HB PRO 29 19.004 -18.559 -5.871 380 HG2 PRO 29 1HG PRO 29 19.093 -17.276 -3.092 381 HG3 PRO 29 2HG PRO 29 20.166 -16.973 -4.481 382 HD2 PRO 29 1HD PRO 29 18.021 -15.473 -3.906 383 HD3 PRO 29 2HD PRO 29 18.412 -15.744 -5.633 384 H THR 30 H THR 30 14.820 -19.332 -4.356 385 HA THR 30 HA THR 30 15.251 -20.687 -1.844 386 HB THR 30 HB THR 30 15.205 -18.269 -1.115 387 HG1 THR 30 HG1 THR 30 13.405 -18.798 0.501 388 HG21 THR 30 1HG2 THR 30 13.440 -17.354 -2.802 389 HG22 THR 30 2HG2 THR 30 13.053 -16.993 -1.080 390 HG23 THR 30 3HG2 THR 30 12.188 -18.280 -1.900 391 HXT THR 30 H02 THR 30 13.136 -21.008 -0.982 Start of MODEL 26 1 H1 GLY 1 1H GLY 1 1.146 0.563 0.630 2 H2 GLY 1 2H GLY 1 2.211 1.720 0.414 3 HA2 GLY 1 1HA GLY 1 3.822 0.472 -0.619 4 HA3 GLY 1 2HA GLY 1 2.946 -1.060 -0.213 5 H ILE 2 H ILE 2 3.265 -1.460 -2.446 6 HA ILE 2 HA ILE 2 2.240 0.149 -4.514 7 HB ILE 2 HB ILE 2 2.269 -2.935 -4.394 8 HG12 ILE 2 1HG1 ILE 2 4.347 -1.029 -5.516 9 HG13 ILE 2 2HG1 ILE 2 4.535 -1.896 -4.012 10 HG21 ILE 2 1HG2 ILE 2 2.335 -1.120 -6.852 11 HG22 ILE 2 2HG2 ILE 2 2.241 -2.907 -6.833 12 HG23 ILE 2 3HG2 ILE 2 0.865 -1.948 -6.259 13 HD11 ILE 2 3HD1 ILE 2 4.189 -4.048 -5.500 14 HD12 ILE 2 1HD1 ILE 2 4.624 -2.935 -6.839 15 HD13 ILE 2 2HD1 ILE 2 5.745 -3.217 -5.488 16 H VAL 3 H VAL 3 0.603 -2.255 -2.391 17 HA VAL 3 HA VAL 3 -1.877 -2.216 -3.835 18 HB VAL 3 HB VAL 3 -1.326 -3.989 -2.279 19 HG11 VAL 3 1HG1 VAL 3 -0.201 -2.545 -0.500 20 HG12 VAL 3 2HG1 VAL 3 -1.828 -2.085 0.059 21 HG13 VAL 3 3HG1 VAL 3 -1.327 -3.805 0.118 22 HG21 VAL 3 3HG2 VAL 3 -3.648 -3.708 -2.822 23 HG22 VAL 3 1HG2 VAL 3 -3.503 -4.160 -1.101 24 HG23 VAL 3 2HG2 VAL 3 -3.868 -2.477 -1.558 25 H GLU 4 H GLU 4 -0.732 -0.259 -1.003 26 HA GLU 4 HA GLU 4 -3.196 1.157 -0.655 27 HB2 GLU 4 1HB GLU 4 -1.295 1.122 0.941 28 HB3 GLU 4 2HB GLU 4 -0.349 2.087 -0.218 29 HG2 GLU 4 1HG GLU 4 -2.039 3.900 -0.075 30 HG3 GLU 4 2HG GLU 4 -2.856 2.993 1.217 31 HE2 GLU 4 HE2 GLU 4 -1.884 2.762 2.980 32 H GLN 5 H GLN 5 -0.261 2.066 -2.685 33 HA GLN 5 HA GLN 5 -1.519 4.477 -3.735 34 HB2 GLN 5 1HB GLN 5 0.902 4.010 -3.625 35 HB3 GLN 5 2HB GLN 5 0.779 2.810 -4.932 36 HG2 GLN 5 1HG GLN 5 1.641 4.873 -5.772 37 HG3 GLN 5 2HG GLN 5 0.070 4.612 -6.484 38 HE21 GLN 5 2HE2 GLN 5 1.101 5.934 -3.274 39 HE22 GLN 5 1HE2 GLN 5 0.217 7.442 -3.477 40 H CYS 6 H CYS 6 -1.359 1.120 -5.115 41 HA CYS 6 HA CYS 6 -2.546 2.212 -7.598 42 HB2 CYS 6 1HB CYS 6 -0.360 0.862 -7.410 43 HB3 CYS 6 2HB CYS 6 -1.341 -0.528 -7.002 44 H CYS 7 H CYS 7 -3.588 0.007 -4.976 45 HA CYS 7 HA CYS 7 -5.470 -1.468 -6.764 46 HB2 CYS 7 1HB CYS 7 -4.351 -2.320 -4.704 47 HB3 CYS 7 2HB CYS 7 -5.421 -1.287 -3.746 48 H THR 8 H THR 8 -5.444 1.542 -5.106 49 HA THR 8 HA THR 8 -8.365 1.744 -5.191 50 HB THR 8 HB THR 8 -7.161 2.310 -3.047 51 HG1 THR 8 HG1 THR 8 -9.114 3.235 -3.172 52 HG21 THR 8 1HG2 THR 8 -5.181 3.514 -4.073 53 HG22 THR 8 2HG2 THR 8 -6.069 4.475 -2.858 54 HG23 THR 8 3HG2 THR 8 -6.277 4.797 -4.596 55 H SER 9 H SER 9 -9.287 3.571 -6.340 56 HA SER 9 HA SER 9 -9.602 4.707 -8.325 57 HB2 SER 9 1HB SER 9 -6.731 5.581 -7.796 58 HB3 SER 9 2HB SER 9 -7.764 6.231 -9.085 59 HG SER 9 HG SER 9 -8.092 6.454 -6.270 60 H ILE 10 H ILE 10 -7.929 5.066 -10.592 61 HA ILE 10 HA ILE 10 -8.199 2.383 -11.662 62 HB ILE 10 HB ILE 10 -7.130 4.974 -12.883 63 HG12 ILE 10 1HG1 ILE 10 -9.457 5.175 -12.212 64 HG13 ILE 10 2HG1 ILE 10 -9.309 5.193 -13.972 65 HG21 ILE 10 1HG2 ILE 10 -7.576 3.938 -15.144 66 HG22 ILE 10 2HG2 ILE 10 -6.260 3.118 -14.224 67 HG23 ILE 10 3HG2 ILE 10 -7.889 2.355 -14.322 68 HD11 ILE 10 3HD1 ILE 10 -10.107 2.850 -14.118 69 HD12 ILE 10 1HD1 ILE 10 -10.398 2.872 -12.364 70 HD13 ILE 10 2HD1 ILE 10 -11.275 3.981 -13.432 71 H CYS 11 H CYS 11 -5.370 4.434 -10.933 72 HA CYS 11 HA CYS 11 -3.134 4.135 -10.957 73 HB2 CYS 11 1HB CYS 11 -3.778 2.124 -9.609 74 HB3 CYS 11 2HB CYS 11 -3.661 1.139 -11.061 75 H SER 12 H SER 12 -3.042 5.198 -13.005 76 HA SER 12 HA SER 12 -3.634 3.977 -15.479 77 HB2 SER 12 1HB SER 12 -1.939 6.415 -14.837 78 HB3 SER 12 2HB SER 12 -2.564 5.964 -16.460 79 HG SER 12 HG SER 12 -3.812 7.473 -15.067 80 H LEU 13 H LEU 13 -2.132 3.452 -17.292 81 HA LEU 13 HA LEU 13 -0.041 1.671 -16.673 82 HB2 LEU 13 1HB LEU 13 -0.413 3.395 -19.160 83 HB3 LEU 13 2HB LEU 13 0.745 2.001 -19.117 84 HG LEU 13 HG LEU 13 -2.234 1.806 -18.595 85 HD11 LEU 13 1HD1 LEU 13 -0.788 1.374 -21.261 86 HD12 LEU 13 2HD1 LEU 13 -2.089 2.480 -20.848 87 HD13 LEU 13 3HD1 LEU 13 -2.444 0.773 -20.886 88 HD21 LEU 13 3HD2 LEU 13 -0.889 -0.048 -17.555 89 HD22 LEU 13 1HD2 LEU 13 -0.090 -0.329 -19.178 90 HD23 LEU 13 2HD2 LEU 13 -1.811 -0.576 -18.958 91 H TYR 14 H TYR 14 0.197 5.179 -17.249 92 HA TYR 14 HA TYR 14 2.995 5.385 -17.094 93 HB2 TYR 14 1HB TYR 14 1.346 7.257 -17.717 94 HB3 TYR 14 2HB TYR 14 0.871 7.374 -16.043 95 HD1 TYR 14 HD2 TYR 14 3.739 7.945 -18.359 96 HD2 TYR 14 HD1 TYR 14 2.225 8.439 -14.353 97 HE1 TYR 14 HE2 TYR 14 5.942 8.852 -17.282 98 HE2 TYR 14 HE1 TYR 14 4.081 9.749 -13.731 99 HH TYR 14 HH TYR 14 6.163 10.516 -14.265 100 H GLN 15 H GLN 15 0.664 5.431 -14.429 101 HA GLN 15 HA GLN 15 2.625 5.790 -12.350 102 HB2 GLN 15 1HB GLN 15 -0.175 4.516 -12.272 103 HB3 GLN 15 2HB GLN 15 0.830 4.826 -10.850 104 HG2 GLN 15 1HG GLN 15 0.682 7.209 -11.244 105 HG3 GLN 15 2HG GLN 15 -0.094 6.995 -12.820 106 HE21 GLN 15 2HE2 GLN 15 -0.593 6.696 -9.232 107 HE22 GLN 15 1HE2 GLN 15 -2.344 6.691 -9.334 108 H LEU 16 H LEU 16 1.189 2.917 -13.869 109 HA LEU 16 HA LEU 16 2.271 0.977 -12.134 110 HB2 LEU 16 1HB LEU 16 1.382 0.899 -15.031 111 HB3 LEU 16 2HB LEU 16 2.043 -0.531 -14.259 112 HG LEU 16 HG LEU 16 -0.357 0.804 -13.053 113 HD11 LEU 16 1HD1 LEU 16 -1.661 -0.827 -14.319 114 HD12 LEU 16 2HD1 LEU 16 -0.211 -1.461 -15.109 115 HD13 LEU 16 3HD1 LEU 16 -0.740 0.162 -15.443 116 HD21 LEU 16 3HD2 LEU 16 -0.730 -1.522 -12.220 117 HD22 LEU 16 1HD2 LEU 16 0.735 -0.794 -11.569 118 HD23 LEU 16 2HD2 LEU 16 0.866 -2.005 -12.878 119 H GLU 17 H GLU 17 3.645 2.387 -15.065 120 HA GLU 17 HA GLU 17 5.958 0.813 -15.308 121 HB2 GLU 17 1HB GLU 17 4.966 3.447 -16.222 122 HB3 GLU 17 2HB GLU 17 6.704 3.457 -15.994 123 HG2 GLU 17 1HG GLU 17 5.496 1.156 -17.490 124 HG3 GLU 17 2HG GLU 17 5.521 2.734 -18.266 125 HE2 GLU 17 HE2 GLU 17 8.806 0.694 -18.091 126 H ASN 18 H ASN 18 5.286 3.371 -12.866 127 HA ASN 18 HA ASN 18 8.089 3.848 -12.253 128 HB2 ASN 18 1HB ASN 18 5.572 4.397 -10.672 129 HB3 ASN 18 2HB ASN 18 7.248 4.888 -10.241 130 HD21 ASN 18 2HD2 ASN 18 4.881 6.561 -10.748 131 HD22 ASN 18 1HD2 ASN 18 5.334 7.595 -12.097 132 H TYR 19 H TYR 19 5.870 1.291 -11.471 133 HA TYR 19 HA TYR 19 7.383 0.500 -9.101 134 HB2 TYR 19 1HB TYR 19 5.333 -1.022 -10.727 135 HB3 TYR 19 2HB TYR 19 6.008 -1.554 -9.185 136 HD1 TYR 19 HD2 TYR 19 5.792 0.397 -7.274 137 HD2 TYR 19 HD1 TYR 19 3.297 -0.053 -10.665 138 HE1 TYR 19 HE2 TYR 19 4.025 1.751 -6.117 139 HE2 TYR 19 HE1 TYR 19 1.498 1.317 -9.567 140 HH TYR 19 HH TYR 19 0.901 2.517 -7.725 141 H CYS 20 H CYS 20 8.123 0.494 -12.351 142 HA CYS 20 HA CYS 20 9.576 -2.056 -12.295 143 HB2 CYS 20 1HB CYS 20 8.134 -1.032 -14.274 144 HB3 CYS 20 2HB CYS 20 9.685 -0.223 -14.577 145 H ASN 21 H ASN 21 11.723 -1.251 -14.131 146 HA ASN 21 HA ASN 21 13.601 -0.545 -12.065 147 HB2 ASN 21 1HB ASN 21 13.920 -0.804 -15.112 148 HB3 ASN 21 2HB ASN 21 15.255 -0.551 -13.961 149 HD21 ASN 21 2HD2 ASN 21 13.677 -2.935 -15.567 150 HD22 ASN 21 1HD2 ASN 21 13.876 -4.207 -14.432 151 HXT ASN 21 H02 ASN 21 12.481 1.410 -11.606 152 H1 PHE 1 1H PHE 1 -5.388 -4.787 -23.595 153 H2 PHE 1 2H PHE 1 -5.892 -5.925 -22.592 154 HA PHE 1 HA PHE 1 -4.447 -4.806 -20.828 155 HB2 PHE 1 1HB PHE 1 -4.703 -2.779 -23.030 156 HB3 PHE 1 2HB PHE 1 -4.215 -2.342 -21.391 157 HD1 PHE 1 HD2 PHE 1 -3.060 -4.335 -24.454 158 HD2 PHE 1 HD1 PHE 1 -1.980 -2.543 -20.652 159 HE1 PHE 1 HE2 PHE 1 -0.688 -4.783 -24.852 160 HE2 PHE 1 HE1 PHE 1 0.362 -2.987 -21.125 161 HZ PHE 1 HZ PHE 1 1.028 -4.110 -23.180 162 H VAL 2 H VAL 2 -5.806 -4.667 -19.195 163 HA VAL 2 HA VAL 2 -8.513 -3.576 -19.607 164 HB VAL 2 HB VAL 2 -7.370 -5.049 -17.188 165 HG11 VAL 2 1HG1 VAL 2 -9.820 -5.411 -16.616 166 HG12 VAL 2 2HG1 VAL 2 -9.248 -3.770 -16.441 167 HG13 VAL 2 3HG1 VAL 2 -10.231 -4.203 -17.863 168 HG21 VAL 2 3HG2 VAL 2 -8.605 -7.018 -18.005 169 HG22 VAL 2 1HG2 VAL 2 -9.153 -6.113 -19.429 170 HG23 VAL 2 2HG2 VAL 2 -7.457 -6.463 -19.222 171 H ASN 3 H ASN 3 -8.890 -1.510 -18.944 172 HA ASN 3 HA ASN 3 -6.691 -0.201 -17.425 173 HB2 ASN 3 1HB ASN 3 -7.231 1.740 -18.683 174 HB3 ASN 3 2HB ASN 3 -7.052 0.387 -19.769 175 HD21 ASN 3 2HD2 ASN 3 -8.612 3.058 -19.522 176 HD22 ASN 3 1HD2 ASN 3 -10.198 2.654 -20.090 177 H GLN 4 H GLN 4 -8.687 -1.568 -16.045 178 HA GLN 4 HA GLN 4 -10.383 0.475 -14.812 179 HB2 GLN 4 1HB GLN 4 -10.973 -2.148 -15.604 180 HB3 GLN 4 2HB GLN 4 -10.608 -2.387 -13.885 181 HG2 GLN 4 1HG GLN 4 -12.196 -0.739 -13.280 182 HG3 GLN 4 2HG GLN 4 -12.432 -0.213 -14.922 183 HE21 GLN 4 2HE2 GLN 4 -14.372 -0.827 -15.655 184 HE22 GLN 4 1HE2 GLN 4 -15.151 -2.343 -15.309 185 H HIS 5 H HIS 5 -10.574 -0.913 -12.272 186 HA HIS 5 HA HIS 5 -8.275 0.277 -11.007 187 HB2 HIS 5 1HB HIS 5 -10.302 -1.665 -9.807 188 HB3 HIS 5 2HB HIS 5 -9.259 -0.521 -8.910 189 HD1 HIS 5 HD1 HIS 5 -9.976 2.122 -9.349 190 HD2 HIS 5 HD2 HIS 5 -12.699 -0.648 -10.802 191 HE1 HIS 5 HE1 HIS 5 -12.169 3.374 -9.786 192 HE2 HIS 5 H01 HIS 5 -13.782 1.649 -10.606 193 H LEU 6 H LEU 6 -6.293 -0.739 -11.765 194 HA LEU 6 HA LEU 6 -5.990 -3.619 -11.719 195 HB2 LEU 6 1HB LEU 6 -4.044 -1.308 -11.790 196 HB3 LEU 6 2HB LEU 6 -3.519 -2.960 -11.601 197 HG LEU 6 HG LEU 6 -3.162 -2.619 -13.813 198 HD11 LEU 6 1HD1 LEU 6 -4.534 -4.666 -13.440 199 HD12 LEU 6 2HD1 LEU 6 -4.695 -3.977 -15.052 200 HD13 LEU 6 3HD1 LEU 6 -5.983 -3.706 -13.862 201 HD21 LEU 6 3HD2 LEU 6 -4.876 -1.586 -15.349 202 HD22 LEU 6 1HD2 LEU 6 -4.104 -0.486 -14.180 203 HD23 LEU 6 2HD2 LEU 6 -5.735 -1.083 -13.910 204 H CYS 7 H CYS 7 -5.723 -4.999 -10.274 205 HA CYS 7 HA CYS 7 -4.067 -4.513 -7.921 206 HB2 CYS 7 1HB CYS 7 -6.515 -3.754 -7.451 207 HB3 CYS 7 2HB CYS 7 -6.874 -5.431 -7.376 208 H AIB 8 H AIB 8 -4.034 -6.607 -6.630 209 HB11 AIB 8 1HB1 AIB 8 -5.881 -9.308 -8.061 210 HB12 AIB 8 3HB1 AIB 8 -5.711 -9.137 -6.307 211 HB13 AIB 8 1HB2 AIB 8 -5.014 -10.517 -7.152 212 HB21 AIB 8 3HB2 AIB 8 -2.551 -9.895 -6.268 213 HB22 AIB 8 2HB1 AIB 8 -3.472 -8.716 -5.296 214 HB23 AIB 8 2HB2 AIB 8 -2.052 -8.207 -6.257 215 H SER 9 H SER 9 -4.119 -10.750 -8.888 216 HA SER 9 HA SER 9 -1.607 -10.851 -10.272 217 HB2 SER 9 1HB SER 9 -3.090 -12.819 -9.987 218 HB3 SER 9 2HB SER 9 -4.352 -12.045 -10.961 219 HG SER 9 HG SER 9 -2.714 -13.680 -11.884 220 H HIS 10 H HIS 10 -4.583 -9.102 -11.016 221 HA HIS 10 HA HIS 10 -3.980 -8.769 -13.842 222 HB2 HIS 10 1HB HIS 10 -5.663 -6.707 -12.348 223 HB3 HIS 10 2HB HIS 10 -5.882 -7.333 -13.964 224 HD1 HIS 10 HD1 HIS 10 -7.066 -9.739 -14.235 225 HD2 HIS 10 HD2 HIS 10 -6.884 -8.162 -10.349 226 HE1 HIS 10 HE1 HIS 10 -8.710 -11.134 -12.808 227 HE2 HIS 10 H01 HIS 10 -8.545 -10.175 -10.475 228 H LEU 11 H LEU 11 -3.158 -6.967 -10.919 229 HA LEU 11 HA LEU 11 -1.934 -4.702 -12.239 230 HB2 LEU 11 1HB LEU 11 -2.709 -4.856 -9.845 231 HB3 LEU 11 2HB LEU 11 -1.381 -5.913 -9.524 232 HG LEU 11 HG LEU 11 -0.994 -3.054 -10.334 233 HD11 LEU 11 1HD1 LEU 11 -0.466 -2.882 -7.838 234 HD12 LEU 11 2HD1 LEU 11 -1.393 -4.404 -7.670 235 HD13 LEU 11 3HD1 LEU 11 -2.186 -2.923 -8.331 236 HD21 LEU 11 3HD2 LEU 11 1.240 -3.290 -9.502 237 HD22 LEU 11 1HD2 LEU 11 0.975 -4.555 -10.686 238 HD23 LEU 11 2HD2 LEU 11 0.933 -4.958 -8.970 239 H VAL 12 H VAL 12 -0.628 -7.826 -10.993 240 HA VAL 12 HA VAL 12 2.068 -7.480 -11.620 241 HB VAL 12 HB VAL 12 0.408 -10.031 -11.798 242 HG11 VAL 12 1HG1 VAL 12 2.583 -10.376 -13.002 243 HG12 VAL 12 2HG1 VAL 12 3.449 -9.549 -11.711 244 HG13 VAL 12 3HG1 VAL 12 2.749 -11.155 -11.434 245 HG21 VAL 12 3HG2 VAL 12 2.165 -9.026 -9.546 246 HG22 VAL 12 1HG2 VAL 12 0.377 -8.984 -9.533 247 HG23 VAL 12 2HG2 VAL 12 1.197 -10.555 -9.554 248 H GLU 13 H GLU 13 -0.549 -8.917 -13.659 249 HA GLU 13 HA GLU 13 1.068 -9.418 -15.950 250 HB2 GLU 13 1HB GLU 13 -1.305 -10.223 -15.532 251 HB3 GLU 13 2HB GLU 13 -1.882 -8.596 -15.965 252 HG2 GLU 13 1HG GLU 13 -2.155 -9.871 -17.927 253 HG3 GLU 13 2HG GLU 13 -0.606 -8.996 -18.186 254 HE2 GLU 13 HE2 GLU 13 -0.680 -12.893 -17.982 255 H ALA 14 H ALA 14 -0.961 -6.543 -15.143 256 HA ALA 14 HA ALA 14 -0.627 -5.147 -17.538 257 HB1 ALA 14 3HB ALA 14 -0.860 -3.853 -14.858 258 HB2 ALA 14 1HB ALA 14 -1.455 -3.272 -16.424 259 HB3 ALA 14 2HB ALA 14 -2.218 -4.665 -15.652 260 H LEU 15 H LEU 15 1.235 -5.062 -14.505 261 HA LEU 15 HA LEU 15 3.026 -3.012 -15.277 262 HB2 LEU 15 1HB LEU 15 2.485 -4.229 -12.990 263 HB3 LEU 15 2HB LEU 15 3.849 -5.227 -13.432 264 HG LEU 15 HG LEU 15 3.777 -2.245 -12.841 265 HD11 LEU 15 1HD1 LEU 15 5.496 -3.288 -11.044 266 HD12 LEU 15 2HD1 LEU 15 4.762 -4.835 -11.537 267 HD13 LEU 15 3HD1 LEU 15 3.747 -3.518 -10.807 268 HD21 LEU 15 3HD2 LEU 15 5.545 -2.170 -14.374 269 HD22 LEU 15 1HD2 LEU 15 6.022 -3.830 -14.073 270 HD23 LEU 15 2HD2 LEU 15 6.410 -2.553 -12.909 271 H TYR 16 H TYR 16 3.075 -6.528 -15.591 272 HA TYR 16 HA TYR 16 5.766 -6.752 -16.650 273 HB2 TYR 16 1HB TYR 16 4.776 -8.726 -15.721 274 HB3 TYR 16 2HB TYR 16 3.366 -8.575 -16.790 275 HD1 TYR 16 HD2 TYR 16 7.037 -9.238 -16.959 276 HD2 TYR 16 HD1 TYR 16 3.220 -9.551 -18.813 277 HE1 TYR 16 HE2 TYR 16 8.023 -10.792 -18.631 278 HE2 TYR 16 HE1 TYR 16 4.173 -11.015 -20.585 279 HH TYR 16 HH TYR 16 7.539 -12.205 -20.511 280 H LEU 17 H LEU 17 2.554 -6.464 -18.243 281 HA LEU 17 HA LEU 17 3.576 -6.614 -20.876 282 HB2 LEU 17 1HB LEU 17 1.082 -5.192 -19.784 283 HB3 LEU 17 2HB LEU 17 1.467 -5.362 -21.499 284 HG LEU 17 HG LEU 17 1.119 -7.738 -19.676 285 HD11 LEU 17 1HD1 LEU 17 -0.978 -6.593 -19.665 286 HD12 LEU 17 2HD1 LEU 17 -1.128 -8.008 -20.719 287 HD13 LEU 17 3HD1 LEU 17 -0.915 -6.387 -21.410 288 HD21 LEU 17 3HD2 LEU 17 1.137 -7.481 -22.690 289 HD22 LEU 17 1HD2 LEU 17 0.850 -8.998 -21.794 290 HD23 LEU 17 2HD2 LEU 17 2.412 -8.171 -21.696 291 H VAL 18 H VAL 18 3.001 -3.821 -18.705 292 HA VAL 18 HA VAL 18 3.624 -2.038 -20.950 293 HB VAL 18 HB VAL 18 2.033 -1.423 -19.162 294 HG11 VAL 18 1HG1 VAL 18 2.755 -0.565 -17.054 295 HG12 VAL 18 2HG1 VAL 18 3.354 -2.228 -17.249 296 HG13 VAL 18 3HG1 VAL 18 4.437 -0.860 -17.448 297 HG21 VAL 18 3HG2 VAL 18 2.807 0.987 -19.068 298 HG22 VAL 18 1HG2 VAL 18 4.404 0.485 -19.622 299 HG23 VAL 18 2HG2 VAL 18 2.988 0.279 -20.666 300 H CYS 19 H CYS 19 5.560 -3.416 -18.196 301 HA CYS 19 HA CYS 19 7.771 -1.567 -18.960 302 HB2 CYS 19 1HB CYS 19 7.176 -2.547 -16.653 303 HB3 CYS 19 2HB CYS 19 8.058 -4.001 -17.167 304 H GLY 20 H GLY 20 6.870 -4.964 -19.616 305 HA2 GLY 20 1HA GLY 20 7.536 -5.837 -21.751 306 HA3 GLY 20 2HA GLY 20 9.124 -5.127 -21.557 307 H GLU 21 H GLU 21 9.535 -7.393 -22.168 308 HA GLU 21 HA GLU 21 8.997 -9.589 -20.448 309 HB2 GLU 21 1HB GLU 21 10.983 -9.104 -22.654 310 HB3 GLU 21 2HB GLU 21 10.972 -10.645 -21.810 311 HG2 GLU 21 1HG GLU 21 8.799 -11.170 -22.531 312 HG3 GLU 21 2HG GLU 21 8.537 -9.495 -23.089 313 HE2 GLU 21 HE2 GLU 21 9.778 -12.018 -25.675 314 H ARG 22 H ARG 22 11.486 -7.143 -20.533 315 HA ARG 22 HA ARG 22 13.136 -8.527 -18.498 316 HB2 ARG 22 1HB ARG 22 13.368 -5.733 -19.705 317 HB3 ARG 22 2HB ARG 22 14.618 -6.572 -18.782 318 HG2 ARG 22 1HG ARG 22 15.436 -7.146 -20.811 319 HG3 ARG 22 2HG ARG 22 14.092 -8.332 -20.895 320 HD2 ARG 22 1HD ARG 22 14.088 -7.048 -22.915 321 HD3 ARG 22 2HD ARG 22 12.664 -6.582 -21.964 322 HE ARG 22 HE ARG 22 14.860 -4.855 -21.264 323 HH11 ARG 22 1HH1 ARG 22 12.498 -5.388 -23.813 324 HH12 ARG 22 2HH1 ARG 22 12.487 -3.731 -24.366 325 HH21 ARG 22 1HH2 ARG 22 14.808 -2.688 -21.995 326 HH22 ARG 22 2HH2 ARG 22 13.754 -2.237 -23.311 327 H GLY 23 H GLY 23 10.643 -8.277 -17.541 328 HA2 GLY 23 1HA GLY 23 9.805 -5.842 -16.640 329 HA3 GLY 23 2HA GLY 23 9.215 -7.379 -16.042 330 H PHE 24 H PHE 24 8.827 -5.794 -14.345 331 HA PHE 24 HA PHE 24 10.796 -4.621 -12.715 332 HB2 PHE 24 1HB PHE 24 9.045 -4.320 -11.126 333 HB3 PHE 24 2HB PHE 24 8.352 -4.107 -12.745 334 HD1 PHE 24 HD1 PHE 24 7.071 -6.088 -13.841 335 HD2 PHE 24 HD2 PHE 24 8.062 -5.896 -9.611 336 HE1 PHE 24 HE1 PHE 24 5.277 -7.775 -13.288 337 HE2 PHE 24 HE2 PHE 24 6.209 -7.475 -9.107 338 HZ PHE 24 HZ PHE 24 4.913 -8.463 -10.949 339 H PHE 25 H PHE 25 11.286 -5.074 -10.411 340 HA PHE 25 HA PHE 25 11.841 -8.020 -10.051 341 HB2 PHE 25 1HB PHE 25 13.489 -5.579 -9.995 342 HB3 PHE 25 2HB PHE 25 13.648 -6.528 -8.494 343 HD1 PHE 25 HD2 PHE 25 14.379 -9.043 -8.612 344 HD2 PHE 25 HD1 PHE 25 14.491 -6.404 -12.031 345 HE1 PHE 25 HE2 PHE 25 15.942 -10.554 -9.739 346 HE2 PHE 25 HE1 PHE 25 16.051 -7.967 -13.192 347 HZ PHE 25 HZ PHE 25 16.781 -10.026 -12.004 348 H TYR 26 H TYR 26 12.728 -7.926 -7.409 349 HA TYR 26 HA TYR 26 11.825 -8.275 -5.370 350 HB2 TYR 26 1HB TYR 26 12.292 -5.760 -5.561 351 HB3 TYR 26 2HB TYR 26 10.516 -5.571 -5.572 352 HD1 TYR 26 HD2 TYR 26 13.404 -6.995 -3.607 353 HD2 TYR 26 HD1 TYR 26 9.271 -5.767 -3.582 354 HE1 TYR 26 HE2 TYR 26 13.303 -7.338 -1.119 355 HE2 TYR 26 HE1 TYR 26 9.155 -6.230 -1.137 356 HH TYR 26 HH TYR 26 11.918 -7.310 0.679 357 H THR 27 H THR 27 10.503 -9.985 -6.302 358 HA THR 27 HA THR 27 7.709 -9.493 -5.236 359 HB THR 27 HB THR 27 7.486 -11.850 -6.560 360 HG1 THR 27 HG1 THR 27 8.934 -10.631 -8.547 361 HG21 THR 27 1HG2 THR 27 7.269 -9.184 -7.958 362 HG22 THR 27 2HG2 THR 27 5.989 -10.021 -7.065 363 HG23 THR 27 3HG2 THR 27 6.605 -10.724 -8.566 364 H LYS 28 H LYS 28 7.698 -10.380 -3.196 365 HA LYS 28 HA LYS 28 9.864 -11.879 -2.228 366 HB2 LYS 28 1HB LYS 28 6.986 -11.666 -1.253 367 HB3 LYS 28 2HB LYS 28 8.319 -12.340 -0.287 368 HG2 LYS 28 1HG LYS 28 9.456 -10.188 -0.320 369 HG3 LYS 28 2HG LYS 28 8.152 -9.456 -1.236 370 HD2 LYS 28 1HD LYS 28 6.584 -10.041 0.619 371 HD3 LYS 28 2HD LYS 28 7.924 -10.737 1.561 372 HE2 LYS 28 1HE LYS 28 9.141 -8.565 1.566 373 HE3 LYS 28 2HE LYS 28 7.819 -7.789 0.671 374 HZ1 LYS 28 3HZ LYS 28 7.564 -7.463 3.073 375 HZ2 LYS 28 1HZ LYS 28 7.608 -9.078 3.340 376 HZ3 LYS 28 2HZ LYS 28 6.360 -8.373 2.562 377 HA PRO 29 HA PRO 29 8.479 -15.881 -3.742 378 HB2 PRO 29 1HB PRO 29 10.301 -17.490 -2.566 379 HB3 PRO 29 2HB PRO 29 10.795 -16.429 -3.911 380 HG2 PRO 29 1HG PRO 29 11.129 -15.945 -0.949 381 HG3 PRO 29 2HG PRO 29 12.298 -15.837 -2.286 382 HD2 PRO 29 1HD PRO 29 11.020 -13.648 -1.338 383 HD3 PRO 29 2HD PRO 29 11.414 -13.811 -3.055 384 H THR 30 H THR 30 6.490 -16.094 -2.712 385 HA THR 30 HA THR 30 6.121 -16.301 0.160 386 HB THR 30 HB THR 30 4.301 -15.654 -1.433 387 HG1 THR 30 HG1 THR 30 2.768 -17.452 -0.708 388 HG21 THR 30 1HG2 THR 30 3.113 -17.557 -2.711 389 HG22 THR 30 2HG2 THR 30 4.501 -18.537 -2.495 390 HG23 THR 30 3HG2 THR 30 4.634 -17.036 -3.442 391 HXT THR 30 H02 THR 30 6.771 -18.384 -2.068 Start of MODEL 27 1 H1 GLY 1 1H GLY 1 2.025 -1.728 0.722 2 H2 GLY 1 2H GLY 1 2.732 -2.582 -0.495 3 HA2 GLY 1 1HA GLY 1 2.327 0.328 -0.311 4 HA3 GLY 1 2HA GLY 1 3.692 -0.592 -0.984 5 H ILE 2 H ILE 2 2.790 -2.056 -2.998 6 HA ILE 2 HA ILE 2 2.082 0.058 -4.880 7 HB ILE 2 HB ILE 2 1.773 -2.965 -5.277 8 HG12 ILE 2 1HG1 ILE 2 4.242 -1.311 -5.983 9 HG13 ILE 2 2HG1 ILE 2 4.092 -2.362 -4.552 10 HG21 ILE 2 1HG2 ILE 2 2.091 -2.368 -7.696 11 HG22 ILE 2 2HG2 ILE 2 0.592 -1.768 -7.015 12 HG23 ILE 2 3HG2 ILE 2 1.984 -0.654 -7.267 13 HD11 ILE 2 3HD1 ILE 2 4.011 -3.221 -7.461 14 HD12 ILE 2 1HD1 ILE 2 5.358 -3.436 -6.328 15 HD13 ILE 2 2HD1 ILE 2 3.813 -4.276 -6.081 16 H VAL 3 H VAL 3 0.451 -2.551 -3.105 17 HA VAL 3 HA VAL 3 -2.115 -2.102 -4.216 18 HB VAL 3 HB VAL 3 -1.551 -4.087 -2.953 19 HG11 VAL 3 1HG1 VAL 3 -0.200 -2.912 -1.150 20 HG12 VAL 3 2HG1 VAL 3 -1.778 -2.386 -0.480 21 HG13 VAL 3 3HG1 VAL 3 -1.424 -4.105 -0.561 22 HG21 VAL 3 3HG2 VAL 3 -3.992 -3.217 -3.147 23 HG22 VAL 3 1HG2 VAL 3 -3.723 -4.318 -1.817 24 HG23 VAL 3 2HG2 VAL 3 -3.812 -2.594 -1.516 25 H GLU 4 H GLU 4 -0.448 -0.445 -1.542 26 HA GLU 4 HA GLU 4 -2.748 0.952 -0.675 27 HB2 GLU 4 1HB GLU 4 0.257 1.413 -0.129 28 HB3 GLU 4 2HB GLU 4 -1.080 2.252 0.665 29 HG2 GLU 4 1HG GLU 4 -1.916 0.083 1.466 30 HG3 GLU 4 2HG GLU 4 -0.543 -0.776 0.711 31 HE2 GLU 4 HE2 GLU 4 -1.232 1.869 2.711 32 H GLN 5 H GLN 5 -0.288 1.581 -3.045 33 HA GLN 5 HA GLN 5 -0.931 4.431 -3.291 34 HB2 GLN 5 1HB GLN 5 1.306 3.457 -3.679 35 HB3 GLN 5 2HB GLN 5 0.723 2.613 -5.120 36 HG2 GLN 5 1HG GLN 5 1.877 4.610 -5.767 37 HG3 GLN 5 2HG GLN 5 0.152 4.775 -6.168 38 HE21 GLN 5 2HE2 GLN 5 -0.462 6.836 -5.867 39 HE22 GLN 5 1HE2 GLN 5 0.044 7.900 -4.539 40 H CYS 6 H CYS 6 -1.502 1.405 -5.220 41 HA CYS 6 HA CYS 6 -2.994 3.181 -7.142 42 HB2 CYS 6 1HB CYS 6 -1.096 1.122 -7.435 43 HB3 CYS 6 2HB CYS 6 -2.629 0.468 -8.022 44 H CYS 7 H CYS 7 -3.659 0.451 -4.963 45 HA CYS 7 HA CYS 7 -6.020 -0.240 -6.556 46 HB2 CYS 7 1HB CYS 7 -5.125 -1.173 -3.771 47 HB3 CYS 7 2HB CYS 7 -6.505 -1.750 -4.647 48 H THR 8 H THR 8 -5.338 2.328 -4.491 49 HA THR 8 HA THR 8 -8.188 2.757 -3.880 50 HB THR 8 HB THR 8 -6.813 2.766 -1.726 51 HG1 THR 8 HG1 THR 8 -8.234 4.279 -1.262 52 HG21 THR 8 1HG2 THR 8 -5.301 4.947 -3.159 53 HG22 THR 8 2HG2 THR 8 -4.673 3.431 -2.476 54 HG23 THR 8 3HG2 THR 8 -5.279 4.694 -1.389 55 H SER 9 H SER 9 -8.909 4.954 -4.512 56 HA SER 9 HA SER 9 -9.198 6.408 -6.338 57 HB2 SER 9 1HB SER 9 -7.024 7.312 -5.093 58 HB3 SER 9 2HB SER 9 -6.198 6.697 -6.539 59 HG SER 9 HG SER 9 -6.866 8.858 -6.878 60 H ILE 10 H ILE 10 -7.870 6.853 -8.695 61 HA ILE 10 HA ILE 10 -8.379 4.237 -9.975 62 HB ILE 10 HB ILE 10 -8.144 7.058 -11.137 63 HG12 ILE 10 1HG1 ILE 10 -10.112 6.632 -9.722 64 HG13 ILE 10 2HG1 ILE 10 -10.554 6.967 -11.413 65 HG21 ILE 10 1HG2 ILE 10 -7.436 5.435 -12.877 66 HG22 ILE 10 2HG2 ILE 10 -8.880 4.463 -12.574 67 HG23 ILE 10 3HG2 ILE 10 -9.051 6.077 -13.272 68 HD11 ILE 10 3HD1 ILE 10 -11.049 4.564 -11.835 69 HD12 ILE 10 1HD1 ILE 10 -10.534 4.113 -10.200 70 HD13 ILE 10 2HD1 ILE 10 -11.971 5.137 -10.454 71 H CYS 11 H CYS 11 -6.901 2.952 -10.764 72 HA CYS 11 HA CYS 11 -4.090 3.892 -10.809 73 HB2 CYS 11 1HB CYS 11 -5.024 1.774 -9.716 74 HB3 CYS 11 2HB CYS 11 -5.186 1.150 -11.337 75 H SER 12 H SER 12 -2.704 3.545 -12.580 76 HA SER 12 HA SER 12 -3.951 2.886 -15.167 77 HB2 SER 12 1HB SER 12 -2.676 5.649 -14.631 78 HB3 SER 12 2HB SER 12 -3.223 5.023 -16.230 79 HG SER 12 HG SER 12 -5.315 4.698 -15.050 80 H LEU 13 H LEU 13 -2.474 2.685 -16.854 81 HA LEU 13 HA LEU 13 -0.086 1.294 -16.286 82 HB2 LEU 13 1HB LEU 13 -0.748 2.766 -18.747 83 HB3 LEU 13 2HB LEU 13 0.431 1.480 -18.610 84 HG LEU 13 HG LEU 13 -2.568 1.094 -18.137 85 HD11 LEU 13 1HD1 LEU 13 -1.769 1.490 -20.566 86 HD12 LEU 13 2HD1 LEU 13 -2.650 -0.070 -20.325 87 HD13 LEU 13 3HD1 LEU 13 -0.875 -0.035 -20.415 88 HD21 LEU 13 3HD2 LEU 13 -1.564 -0.456 -16.689 89 HD22 LEU 13 1HD2 LEU 13 -0.306 -0.794 -17.969 90 HD23 LEU 13 2HD2 LEU 13 -1.975 -1.347 -18.195 91 H TYR 14 H TYR 14 -0.675 4.826 -16.767 92 HA TYR 14 HA TYR 14 1.981 5.730 -16.920 93 HB2 TYR 14 1HB TYR 14 -0.186 7.109 -17.241 94 HB3 TYR 14 2HB TYR 14 -0.359 7.056 -15.464 95 HD1 TYR 14 HD1 TYR 14 2.269 7.930 -18.048 96 HD2 TYR 14 HD2 TYR 14 0.610 8.750 -14.127 97 HE1 TYR 14 HE1 TYR 14 3.760 9.760 -17.872 98 HE2 TYR 14 HE2 TYR 14 1.635 11.145 -14.596 99 HH TYR 14 HH TYR 14 4.537 11.544 -16.691 100 H GLN 15 H GLN 15 0.117 5.117 -13.931 101 HA GLN 15 HA GLN 15 2.388 5.721 -12.247 102 HB2 GLN 15 1HB GLN 15 -0.112 4.074 -11.593 103 HB3 GLN 15 2HB GLN 15 1.144 4.517 -10.467 104 HG2 GLN 15 1HG GLN 15 0.646 6.988 -11.067 105 HG3 GLN 15 2HG GLN 15 -0.865 6.313 -11.737 106 HE21 GLN 15 2HE2 GLN 15 -2.561 6.386 -10.325 107 HE22 GLN 15 1HE2 GLN 15 -2.387 6.311 -8.610 108 H LEU 16 H LEU 16 1.052 2.721 -13.691 109 HA LEU 16 HA LEU 16 2.729 0.974 -12.198 110 HB2 LEU 16 1HB LEU 16 1.198 0.767 -14.678 111 HB3 LEU 16 2HB LEU 16 2.580 -0.299 -14.565 112 HG LEU 16 HG LEU 16 1.687 -1.302 -12.546 113 HD11 LEU 16 1HD1 LEU 16 -0.456 0.769 -12.718 114 HD12 LEU 16 2HD1 LEU 16 0.562 0.300 -11.342 115 HD13 LEU 16 3HD1 LEU 16 -0.743 -0.782 -11.910 116 HD21 LEU 16 3HD2 LEU 16 0.061 -2.559 -13.577 117 HD22 LEU 16 1HD2 LEU 16 0.999 -1.949 -14.927 118 HD23 LEU 16 2HD2 LEU 16 -0.569 -1.231 -14.496 119 H GLU 17 H GLU 17 3.702 2.962 -14.992 120 HA GLU 17 HA GLU 17 6.163 1.606 -15.476 121 HB2 GLU 17 1HB GLU 17 5.378 4.519 -15.719 122 HB3 GLU 17 2HB GLU 17 6.942 3.873 -16.247 123 HG2 GLU 17 1HG GLU 17 5.949 2.582 -18.006 124 HG3 GLU 17 2HG GLU 17 4.311 2.693 -17.310 125 HE2 GLU 17 HE2 GLU 17 5.606 5.378 -19.763 126 H ASN 18 H ASN 18 5.240 3.620 -12.787 127 HA ASN 18 HA ASN 18 7.891 4.347 -12.001 128 HB2 ASN 18 1HB ASN 18 5.363 4.091 -10.339 129 HB3 ASN 18 2HB ASN 18 6.881 4.800 -9.789 130 HD21 ASN 18 2HD2 ASN 18 4.291 6.008 -10.060 131 HD22 ASN 18 1HD2 ASN 18 4.559 7.441 -10.991 132 H TYR 19 H TYR 19 6.276 1.339 -11.933 133 HA TYR 19 HA TYR 19 8.084 0.330 -9.776 134 HB2 TYR 19 1HB TYR 19 5.652 -0.904 -10.904 135 HB3 TYR 19 2HB TYR 19 6.594 -1.568 -9.592 136 HD1 TYR 19 HD2 TYR 19 6.594 -0.316 -7.320 137 HD2 TYR 19 HD1 TYR 19 4.065 0.946 -10.606 138 HE1 TYR 19 HE2 TYR 19 5.196 1.071 -5.734 139 HE2 TYR 19 HE1 TYR 19 2.715 2.325 -9.093 140 HH TYR 19 HH TYR 19 3.471 2.625 -5.615 141 H CYS 20 H CYS 20 8.181 0.755 -12.926 142 HA CYS 20 HA CYS 20 9.460 -1.886 -13.539 143 HB2 CYS 20 1HB CYS 20 7.762 -1.175 -15.153 144 HB3 CYS 20 2HB CYS 20 8.441 0.436 -15.256 145 H ASN 21 H ASN 21 9.909 1.643 -13.369 146 HA ASN 21 HA ASN 21 12.265 2.070 -14.647 147 HB2 ASN 21 1HB ASN 21 10.608 3.441 -12.972 148 HB3 ASN 21 2HB ASN 21 12.153 3.549 -12.059 149 HD21 ASN 21 2HD2 ASN 21 10.913 5.847 -13.406 150 HD22 ASN 21 1HD2 ASN 21 12.053 6.334 -14.543 151 HXT ASN 21 H02 ASN 21 11.948 0.792 -11.733 152 H1 PHE 1 1H PHE 1 -8.554 -2.350 -22.881 153 H2 PHE 1 2H PHE 1 -7.112 -2.054 -23.592 154 HA PHE 1 HA PHE 1 -6.828 -2.439 -21.182 155 HB2 PHE 1 1HB PHE 1 -6.372 0.455 -22.222 156 HB3 PHE 1 2HB PHE 1 -5.673 -0.230 -20.752 157 HD1 PHE 1 HD2 PHE 1 -4.140 -2.192 -20.860 158 HD2 PHE 1 HD1 PHE 1 -5.307 -0.012 -24.291 159 HE1 PHE 1 HE2 PHE 1 -2.203 -3.126 -22.162 160 HE2 PHE 1 HE1 PHE 1 -3.469 -0.906 -25.568 161 HZ PHE 1 HZ PHE 1 -1.872 -2.473 -24.520 162 H VAL 2 H VAL 2 -6.946 -1.862 -19.082 163 HA VAL 2 HA VAL 2 -9.538 -0.488 -18.485 164 HB VAL 2 HB VAL 2 -8.274 -2.938 -17.145 165 HG11 VAL 2 1HG1 VAL 2 -10.845 -1.436 -16.497 166 HG12 VAL 2 2HG1 VAL 2 -10.389 -3.008 -15.780 167 HG13 VAL 2 3HG1 VAL 2 -9.391 -1.605 -15.468 168 HG21 VAL 2 3HG2 VAL 2 -10.288 -4.132 -17.977 169 HG22 VAL 2 1HG2 VAL 2 -10.785 -2.654 -18.819 170 HG23 VAL 2 2HG2 VAL 2 -9.289 -3.488 -19.268 171 H ASN 3 H ASN 3 -9.372 1.038 -17.050 172 HA ASN 3 HA ASN 3 -6.877 1.475 -15.539 173 HB2 ASN 3 1HB ASN 3 -9.357 3.199 -15.971 174 HB3 ASN 3 2HB ASN 3 -7.974 3.671 -14.948 175 HD21 ASN 3 2HD2 ASN 3 -9.273 4.125 -17.918 176 HD22 ASN 3 1HD2 ASN 3 -7.849 4.485 -18.800 177 H GLN 4 H GLN 4 -9.788 2.736 -14.172 178 HA GLN 4 HA GLN 4 -10.893 2.360 -12.237 179 HB2 GLN 4 1HB GLN 4 -11.456 0.392 -13.902 180 HB3 GLN 4 2HB GLN 4 -10.667 -0.646 -12.734 181 HG2 GLN 4 1HG GLN 4 -13.126 -0.613 -12.410 182 HG3 GLN 4 2HG GLN 4 -12.219 -0.037 -11.014 183 HE21 GLN 4 2HE2 GLN 4 -14.177 0.973 -10.271 184 HE22 GLN 4 1HE2 GLN 4 -14.731 2.495 -10.992 185 H HIS 5 H HIS 5 -10.346 -0.424 -10.709 186 HA HIS 5 HA HIS 5 -7.986 0.643 -9.096 187 HB2 HIS 5 1HB HIS 5 -10.220 -1.295 -8.215 188 HB3 HIS 5 2HB HIS 5 -8.849 -0.739 -7.277 189 HD1 HIS 5 HD1 HIS 5 -9.049 1.292 -5.901 190 HD2 HIS 5 HD2 HIS 5 -12.013 0.999 -8.851 191 HE1 HIS 5 HE1 HIS 5 -10.671 3.220 -5.584 192 HE2 HIS 5 H01 HIS 5 -12.487 2.956 -7.277 193 H LEU 6 H LEU 6 -6.725 -0.330 -10.832 194 HA LEU 6 HA LEU 6 -6.674 -3.158 -11.381 195 HB2 LEU 6 1HB LEU 6 -4.493 -1.063 -11.422 196 HB3 LEU 6 2HB LEU 6 -4.255 -2.704 -11.962 197 HG LEU 6 HG LEU 6 -6.085 -0.722 -13.279 198 HD11 LEU 6 1HD1 LEU 6 -3.803 0.066 -13.492 199 HD12 LEU 6 2HD1 LEU 6 -4.340 -0.587 -15.047 200 HD13 LEU 6 3HD1 LEU 6 -3.264 -1.564 -14.026 201 HD21 LEU 6 3HD2 LEU 6 -5.090 -3.406 -14.233 202 HD22 LEU 6 1HD2 LEU 6 -6.130 -2.304 -15.142 203 HD23 LEU 6 2HD2 LEU 6 -6.733 -3.072 -13.680 204 H CYS 7 H CYS 7 -5.834 -4.764 -10.057 205 HA CYS 7 HA CYS 7 -4.013 -4.181 -7.886 206 HB2 CYS 7 1HB CYS 7 -6.645 -3.806 -7.335 207 HB3 CYS 7 2HB CYS 7 -6.509 -5.575 -7.082 208 H AIB 8 H AIB 8 -3.565 -6.358 -6.818 209 HB11 AIB 8 1HB1 AIB 8 -5.106 -8.828 -6.067 210 HB12 AIB 8 3HB1 AIB 8 -4.696 -10.141 -7.157 211 HB13 AIB 8 1HB2 AIB 8 -5.820 -8.852 -7.730 212 HB21 AIB 8 3HB2 AIB 8 -2.711 -8.216 -5.639 213 HB22 AIB 8 2HB1 AIB 8 -1.544 -8.083 -6.945 214 HB23 AIB 8 2HB2 AIB 8 -2.270 -9.728 -6.571 215 H SER 9 H SER 9 -4.391 -10.454 -8.976 216 HA SER 9 HA SER 9 -2.108 -10.988 -10.544 217 HB2 SER 9 1HB SER 9 -3.985 -12.624 -10.118 218 HB3 SER 9 2HB SER 9 -4.997 -11.738 -11.288 219 HG SER 9 HG SER 9 -4.017 -13.339 -12.446 220 H HIS 10 H HIS 10 -4.817 -8.867 -11.194 221 HA HIS 10 HA HIS 10 -4.328 -8.527 -13.990 222 HB2 HIS 10 1HB HIS 10 -5.682 -6.569 -12.104 223 HB3 HIS 10 2HB HIS 10 -6.016 -6.791 -13.825 224 HD1 HIS 10 HD1 HIS 10 -6.927 -9.443 -14.372 225 HD2 HIS 10 HD2 HIS 10 -7.527 -7.802 -10.541 226 HE1 HIS 10 HE1 HIS 10 -8.867 -10.708 -13.290 227 HE2 HIS 10 H01 HIS 10 -9.205 -9.761 -10.986 228 H LEU 11 H LEU 11 -3.297 -6.850 -10.988 229 HA LEU 11 HA LEU 11 -2.092 -4.650 -12.508 230 HB2 LEU 11 1HB LEU 11 -2.800 -4.394 -10.187 231 HB3 LEU 11 2HB LEU 11 -1.695 -5.641 -9.655 232 HG LEU 11 HG LEU 11 -0.419 -3.354 -11.115 233 HD11 LEU 11 1HD1 LEU 11 -0.563 -1.841 -9.257 234 HD12 LEU 11 2HD1 LEU 11 -1.572 -2.949 -8.348 235 HD13 LEU 11 3HD1 LEU 11 -2.222 -2.205 -9.838 236 HD21 LEU 11 3HD2 LEU 11 0.824 -5.190 -9.993 237 HD22 LEU 11 1HD2 LEU 11 0.116 -4.635 -8.424 238 HD23 LEU 11 2HD2 LEU 11 1.214 -3.554 -9.360 239 H VAL 12 H VAL 12 -0.856 -7.684 -11.045 240 HA VAL 12 HA VAL 12 1.907 -7.355 -11.769 241 HB VAL 12 HB VAL 12 0.155 -9.854 -11.600 242 HG11 VAL 12 1HG1 VAL 12 3.198 -9.648 -11.673 243 HG12 VAL 12 2HG1 VAL 12 2.240 -11.141 -11.367 244 HG13 VAL 12 3HG1 VAL 12 2.118 -10.304 -12.937 245 HG21 VAL 12 3HG2 VAL 12 0.230 -8.571 -9.471 246 HG22 VAL 12 1HG2 VAL 12 1.088 -10.140 -9.336 247 HG23 VAL 12 2HG2 VAL 12 2.012 -8.621 -9.526 248 H GLU 13 H GLU 13 -0.847 -8.805 -13.666 249 HA GLU 13 HA GLU 13 0.764 -9.488 -15.901 250 HB2 GLU 13 1HB GLU 13 -1.545 -10.345 -15.711 251 HB3 GLU 13 2HB GLU 13 -2.189 -8.725 -15.813 252 HG2 GLU 13 1HG GLU 13 -1.324 -8.518 -18.194 253 HG3 GLU 13 2HG GLU 13 -0.605 -10.138 -18.029 254 HE2 GLU 13 HE2 GLU 13 -3.420 -8.372 -18.240 255 H ALA 14 H ALA 14 -0.973 -6.499 -15.101 256 HA ALA 14 HA ALA 14 -0.363 -5.214 -17.615 257 HB1 ALA 14 3HB ALA 14 -2.202 -4.466 -16.312 258 HB2 ALA 14 1HB ALA 14 -1.193 -4.136 -14.888 259 HB3 ALA 14 2HB ALA 14 -1.033 -3.173 -16.366 260 H LEU 15 H LEU 15 1.377 -5.289 -14.488 261 HA LEU 15 HA LEU 15 3.217 -3.247 -15.307 262 HB2 LEU 15 1HB LEU 15 2.750 -4.827 -13.024 263 HB3 LEU 15 2HB LEU 15 4.385 -5.232 -13.473 264 HG LEU 15 HG LEU 15 3.456 -2.396 -13.305 265 HD11 LEU 15 1HD1 LEU 15 4.463 -4.090 -10.979 266 HD12 LEU 15 2HD1 LEU 15 2.760 -3.548 -11.220 267 HD13 LEU 15 3HD1 LEU 15 4.021 -2.354 -10.911 268 HD21 LEU 15 3HD2 LEU 15 5.611 -2.614 -14.299 269 HD22 LEU 15 1HD2 LEU 15 6.083 -3.769 -13.085 270 HD23 LEU 15 2HD2 LEU 15 5.875 -2.098 -12.606 271 H TYR 16 H TYR 16 3.151 -6.833 -15.473 272 HA TYR 16 HA TYR 16 5.813 -7.188 -16.502 273 HB2 TYR 16 1HB TYR 16 4.240 -8.961 -15.686 274 HB3 TYR 16 2HB TYR 16 3.184 -8.712 -17.072 275 HD1 TYR 16 HD1 TYR 16 6.770 -9.600 -16.194 276 HD2 TYR 16 HD2 TYR 16 3.555 -9.991 -19.041 277 HE1 TYR 16 HE1 TYR 16 8.119 -11.274 -17.461 278 HE2 TYR 16 HE2 TYR 16 4.903 -11.714 -20.257 279 HH TYR 16 HH TYR 16 6.672 -12.937 -20.370 280 H LEU 17 H LEU 17 2.632 -6.470 -18.061 281 HA LEU 17 HA LEU 17 3.603 -6.628 -20.748 282 HB2 LEU 17 1HB LEU 17 1.264 -5.363 -19.346 283 HB3 LEU 17 2HB LEU 17 1.559 -4.908 -21.037 284 HG LEU 17 HG LEU 17 1.186 -7.801 -20.146 285 HD11 LEU 17 1HD1 LEU 17 -1.118 -7.606 -21.126 286 HD12 LEU 17 2HD1 LEU 17 -0.934 -5.873 -21.312 287 HD13 LEU 17 3HD1 LEU 17 -0.967 -6.545 -19.709 288 HD21 LEU 17 3HD2 LEU 17 1.235 -6.297 -22.811 289 HD22 LEU 17 1HD2 LEU 17 0.661 -7.995 -22.630 290 HD23 LEU 17 2HD2 LEU 17 2.356 -7.595 -22.264 291 H VAL 18 H VAL 18 3.395 -3.712 -18.602 292 HA VAL 18 HA VAL 18 4.305 -1.980 -20.818 293 HB VAL 18 HB VAL 18 4.436 -0.182 -19.180 294 HG11 VAL 18 1HG1 VAL 18 2.116 -0.059 -18.612 295 HG12 VAL 18 2HG1 VAL 18 2.201 -0.993 -20.081 296 HG13 VAL 18 3HG1 VAL 18 1.933 -1.823 -18.545 297 HG21 VAL 18 3HG2 VAL 18 5.383 -1.369 -17.244 298 HG22 VAL 18 1HG2 VAL 18 3.871 -0.627 -16.760 299 HG23 VAL 18 2HG2 VAL 18 3.916 -2.363 -17.090 300 H CYS 19 H CYS 19 5.941 -3.865 -18.254 301 HA CYS 19 HA CYS 19 8.380 -2.310 -18.637 302 HB2 CYS 19 1HB CYS 19 7.457 -3.403 -16.442 303 HB3 CYS 19 2HB CYS 19 8.280 -4.838 -17.066 304 H GLY 20 H GLY 20 7.081 -5.489 -19.343 305 HA2 GLY 20 1HA GLY 20 7.662 -6.264 -21.643 306 HA3 GLY 20 2HA GLY 20 9.375 -5.865 -21.249 307 H GLU 21 H GLU 21 9.206 -8.391 -22.024 308 HA GLU 21 HA GLU 21 8.267 -10.216 -20.098 309 HB2 GLU 21 1HB GLU 21 10.242 -10.581 -22.352 310 HB3 GLU 21 2HB GLU 21 9.566 -11.895 -21.399 311 HG2 GLU 21 1HG GLU 21 7.292 -11.292 -22.181 312 HG3 GLU 21 2HG GLU 21 7.991 -9.957 -23.104 313 HE2 GLU 21 HE2 GLU 21 6.545 -11.634 -24.178 314 H ARG 22 H ARG 22 10.798 -8.073 -19.824 315 HA ARG 22 HA ARG 22 12.830 -9.827 -18.807 316 HB2 ARG 22 1HB ARG 22 12.986 -6.922 -18.274 317 HB3 ARG 22 2HB ARG 22 14.265 -8.047 -18.782 318 HG2 ARG 22 1HG ARG 22 12.009 -6.861 -20.513 319 HG3 ARG 22 2HG ARG 22 13.678 -6.239 -20.533 320 HD2 ARG 22 1HD ARG 22 12.753 -9.040 -21.342 321 HD3 ARG 22 2HD ARG 22 13.124 -7.673 -22.466 322 HE ARG 22 HE ARG 22 15.375 -7.989 -20.806 323 HH11 ARG 22 1HH1 ARG 22 13.757 -9.883 -23.320 324 HH12 ARG 22 2HH1 ARG 22 15.202 -10.603 -23.962 325 HH21 ARG 22 1HH2 ARG 22 17.273 -8.970 -21.681 326 HH22 ARG 22 2HH2 ARG 22 17.151 -10.087 -22.976 327 H GLY 23 H GLY 23 10.027 -8.482 -17.567 328 HA2 GLY 23 1HA GLY 23 9.251 -9.007 -15.397 329 HA3 GLY 23 2HA GLY 23 10.937 -9.225 -14.845 330 H PHE 24 H PHE 24 9.992 -7.684 -13.022 331 HA PHE 24 HA PHE 24 10.787 -4.953 -13.590 332 HB2 PHE 24 1HB PHE 24 8.627 -3.952 -12.839 333 HB3 PHE 24 2HB PHE 24 8.424 -4.847 -14.309 334 HD1 PHE 24 HD2 PHE 24 7.212 -6.918 -14.531 335 HD2 PHE 24 HD1 PHE 24 7.511 -4.858 -10.736 336 HE1 PHE 24 HE2 PHE 24 5.359 -8.299 -13.568 337 HE2 PHE 24 HE1 PHE 24 5.698 -6.237 -9.787 338 HZ PHE 24 HZ PHE 24 4.596 -7.917 -11.172 339 H PHE 25 H PHE 25 9.976 -3.772 -11.258 340 HA PHE 25 HA PHE 25 11.881 -4.931 -9.482 341 HB2 PHE 25 1HB PHE 25 10.562 -2.475 -9.862 342 HB3 PHE 25 2HB PHE 25 10.180 -2.943 -8.208 343 HD1 PHE 25 HD1 PHE 25 12.935 -2.061 -10.586 344 HD2 PHE 25 HD2 PHE 25 11.881 -3.013 -6.457 345 HE1 PHE 25 HE1 PHE 25 15.148 -1.422 -9.789 346 HE2 PHE 25 HE2 PHE 25 14.076 -2.199 -5.710 347 HZ PHE 25 HZ PHE 25 15.755 -1.410 -7.345 348 H TYR 26 H TYR 26 10.979 -4.630 -6.970 349 HA TYR 26 HA TYR 26 9.688 -5.350 -5.227 350 HB2 TYR 26 1HB TYR 26 7.794 -4.400 -6.377 351 HB3 TYR 26 2HB TYR 26 7.580 -6.002 -7.228 352 HD1 TYR 26 HD2 TYR 26 7.260 -4.338 -3.935 353 HD2 TYR 26 HD1 TYR 26 6.575 -7.950 -6.177 354 HE1 TYR 26 HE2 TYR 26 5.972 -5.290 -2.015 355 HE2 TYR 26 HE1 TYR 26 5.248 -8.894 -4.288 356 HH TYR 26 HH TYR 26 4.870 -7.079 -1.149 357 H THR 27 H THR 27 10.638 -6.993 -4.210 358 HA THR 27 HA THR 27 11.300 -9.132 -3.663 359 HB THR 27 HB THR 27 8.712 -10.025 -4.899 360 HG1 THR 27 HG1 THR 27 7.823 -8.564 -3.605 361 HG21 THR 27 1HG2 THR 27 8.638 -11.304 -2.640 362 HG22 THR 27 2HG2 THR 27 10.365 -10.946 -2.516 363 HG23 THR 27 3HG2 THR 27 9.736 -11.949 -3.904 364 H LYS 28 H LYS 28 13.005 -9.074 -5.263 365 HA LYS 28 HA LYS 28 12.844 -10.272 -7.795 366 HB2 LYS 28 1HB LYS 28 15.035 -10.022 -5.687 367 HB3 LYS 28 2HB LYS 28 15.345 -10.876 -7.206 368 HG2 LYS 28 1HG LYS 28 14.969 -8.901 -8.516 369 HG3 LYS 28 2HG LYS 28 14.340 -8.018 -7.127 370 HD2 LYS 28 1HD LYS 28 16.463 -7.217 -7.479 371 HD3 LYS 28 2HD LYS 28 16.603 -8.302 -6.073 372 HE2 LYS 28 1HE LYS 28 17.395 -10.156 -7.585 373 HE3 LYS 28 2HE LYS 28 17.362 -9.057 -8.944 374 HZ1 LYS 28 3HZ LYS 28 19.620 -9.245 -8.088 375 HZ2 LYS 28 1HZ LYS 28 19.145 -8.665 -6.597 376 HZ3 LYS 28 2HZ LYS 28 19.121 -7.722 -7.974 377 HA PRO 29 HA PRO 29 12.345 -14.578 -6.321 378 HB2 PRO 29 1HB PRO 29 12.609 -15.281 -9.202 379 HB3 PRO 29 2HB PRO 29 11.245 -15.542 -8.093 380 HG2 PRO 29 1HG PRO 29 11.111 -13.714 -10.101 381 HG3 PRO 29 2HG PRO 29 10.401 -13.406 -8.468 382 HD2 PRO 29 1HD PRO 29 13.081 -12.570 -9.542 383 HD3 PRO 29 2HD PRO 29 11.798 -11.549 -8.870 384 H THR 30 H THR 30 14.854 -13.790 -5.701 385 HA THR 30 HA THR 30 16.446 -16.083 -6.374 386 HB THR 30 HB THR 30 17.091 -15.214 -8.383 387 HG1 THR 30 HG1 THR 30 18.941 -14.341 -6.351 388 HG21 THR 30 1HG2 THR 30 17.230 -12.447 -6.963 389 HG22 THR 30 2HG2 THR 30 16.317 -12.984 -8.378 390 HG23 THR 30 3HG2 THR 30 18.078 -12.828 -8.509 391 HXT THR 30 H02 THR 30 17.917 -16.344 -5.036 Start of MODEL 28 1 H1 GLY 1 1H GLY 1 0.876 0.900 0.710 2 H2 GLY 1 2H GLY 1 2.236 1.817 0.519 3 HA2 GLY 1 1HA GLY 1 3.463 0.024 -0.472 4 HA3 GLY 1 2HA GLY 1 2.255 -1.124 0.179 5 H ILE 2 H ILE 2 2.461 -1.954 -2.016 6 HA ILE 2 HA ILE 2 1.834 -0.573 -4.356 7 HB ILE 2 HB ILE 2 1.010 -3.476 -3.825 8 HG12 ILE 2 1HG1 ILE 2 3.336 -3.187 -3.213 9 HG13 ILE 2 2HG1 ILE 2 3.100 -4.187 -4.653 10 HG21 ILE 2 1HG2 ILE 2 -0.023 -2.757 -5.846 11 HG22 ILE 2 2HG2 ILE 2 1.444 -1.896 -6.381 12 HG23 ILE 2 3HG2 ILE 2 1.440 -3.650 -6.334 13 HD11 ILE 2 3HD1 ILE 2 5.051 -2.837 -5.051 14 HD12 ILE 2 1HD1 ILE 2 3.748 -2.092 -6.035 15 HD13 ILE 2 2HD1 ILE 2 4.268 -1.346 -4.490 16 H VAL 3 H VAL 3 -0.518 -2.225 -2.188 17 HA VAL 3 HA VAL 3 -2.767 -1.811 -3.876 18 HB VAL 3 HB VAL 3 -2.726 -2.252 -0.822 19 HG11 VAL 3 1HG1 VAL 3 -4.917 -2.784 -2.905 20 HG12 VAL 3 2HG1 VAL 3 -4.952 -3.238 -1.166 21 HG13 VAL 3 3HG1 VAL 3 -4.935 -1.541 -1.586 22 HG21 VAL 3 3HG2 VAL 3 -2.956 -4.640 -1.311 23 HG22 VAL 3 1HG2 VAL 3 -2.841 -4.360 -3.054 24 HG23 VAL 3 2HG2 VAL 3 -1.468 -4.068 -1.943 25 H GLU 4 H GLU 4 -1.518 -0.045 -0.979 26 HA GLU 4 HA GLU 4 -3.629 1.871 -0.968 27 HB2 GLU 4 1HB GLU 4 -0.852 1.854 0.132 28 HB3 GLU 4 2HB GLU 4 -1.913 3.234 0.360 29 HG2 GLU 4 1HG GLU 4 -2.717 0.446 1.219 30 HG3 GLU 4 2HG GLU 4 -1.850 1.547 2.286 31 HE2 GLU 4 HE2 GLU 4 -4.506 3.265 3.135 32 H GLN 5 H GLN 5 -0.426 1.964 -2.481 33 HA GLN 5 HA GLN 5 -0.789 4.654 -3.461 34 HB2 GLN 5 1HB GLN 5 1.394 3.468 -2.969 35 HB3 GLN 5 2HB GLN 5 1.131 2.512 -4.439 36 HG2 GLN 5 1HG GLN 5 2.665 4.445 -4.834 37 HG3 GLN 5 2HG GLN 5 1.178 4.612 -5.776 38 HE21 GLN 5 2HE2 GLN 5 0.903 6.803 -5.876 39 HE22 GLN 5 1HE2 GLN 5 0.892 7.849 -4.448 40 H CYS 6 H CYS 6 -1.331 1.397 -4.982 41 HA CYS 6 HA CYS 6 -2.076 2.862 -7.472 42 HB2 CYS 6 1HB CYS 6 -0.326 1.178 -7.758 43 HB3 CYS 6 2HB CYS 6 -1.340 -0.075 -7.046 44 H CYS 7 H CYS 7 -3.400 0.237 -5.345 45 HA CYS 7 HA CYS 7 -5.688 0.019 -7.128 46 HB2 CYS 7 1HB CYS 7 -5.397 -1.249 -4.350 47 HB3 CYS 7 2HB CYS 7 -6.391 -1.784 -5.769 48 H THR 8 H THR 8 -5.116 1.946 -4.288 49 HA THR 8 HA THR 8 -7.828 2.014 -3.293 50 HB THR 8 HB THR 8 -5.640 2.837 -2.137 51 HG1 THR 8 HG1 THR 8 -7.502 4.828 -1.897 52 HG21 THR 8 1HG2 THR 8 -5.109 5.208 -2.337 53 HG22 THR 8 2HG2 THR 8 -6.327 5.433 -3.621 54 HG23 THR 8 3HG2 THR 8 -4.916 4.446 -3.920 55 H SER 9 H SER 9 -6.552 3.395 -6.215 56 HA SER 9 HA SER 9 -9.213 4.664 -6.632 57 HB2 SER 9 1HB SER 9 -7.619 6.411 -5.745 58 HB3 SER 9 2HB SER 9 -6.588 6.145 -7.170 59 HG SER 9 HG SER 9 -8.142 7.918 -7.440 60 H ILE 10 H ILE 10 -8.604 5.651 -9.173 61 HA ILE 10 HA ILE 10 -8.292 3.182 -10.745 62 HB ILE 10 HB ILE 10 -8.517 6.143 -11.641 63 HG12 ILE 10 1HG1 ILE 10 -10.526 5.495 -10.338 64 HG13 ILE 10 2HG1 ILE 10 -10.877 5.807 -12.021 65 HG21 ILE 10 1HG2 ILE 10 -8.917 3.587 -13.277 66 HG22 ILE 10 2HG2 ILE 10 -9.258 5.224 -13.904 67 HG23 ILE 10 3HG2 ILE 10 -7.599 4.729 -13.469 68 HD11 ILE 10 3HD1 ILE 10 -12.194 3.926 -11.556 69 HD12 ILE 10 1HD1 ILE 10 -10.822 3.301 -12.474 70 HD13 ILE 10 2HD1 ILE 10 -10.922 3.072 -10.740 71 H CYS 11 H CYS 11 -6.444 2.423 -11.155 72 HA CYS 11 HA CYS 11 -4.027 4.073 -10.885 73 HB2 CYS 11 1HB CYS 11 -4.565 1.766 -9.847 74 HB3 CYS 11 2HB CYS 11 -4.204 1.149 -11.484 75 H SER 12 H SER 12 -2.428 4.146 -12.508 76 HA SER 12 HA SER 12 -3.564 3.716 -15.266 77 HB2 SER 12 1HB SER 12 -2.684 5.842 -15.924 78 HB3 SER 12 2HB SER 12 -3.579 6.072 -14.466 79 HG SER 12 HG SER 12 -1.810 7.008 -13.775 80 H LEU 13 H LEU 13 -2.204 3.443 -16.977 81 HA LEU 13 HA LEU 13 -0.065 1.674 -16.548 82 HB2 LEU 13 1HB LEU 13 -0.944 3.199 -18.978 83 HB3 LEU 13 2HB LEU 13 0.521 2.225 -18.997 84 HG LEU 13 HG LEU 13 -0.801 0.360 -18.147 85 HD11 LEU 13 1HD1 LEU 13 -2.893 1.241 -17.318 86 HD12 LEU 13 2HD1 LEU 13 -3.286 0.375 -18.842 87 HD13 LEU 13 3HD1 LEU 13 -3.148 2.136 -18.822 88 HD21 LEU 13 3HD2 LEU 13 0.005 0.511 -20.433 89 HD22 LEU 13 1HD2 LEU 13 -1.531 1.379 -20.856 90 HD23 LEU 13 2HD2 LEU 13 -1.564 -0.339 -20.333 91 H TYR 14 H TYR 14 -0.103 5.197 -16.799 92 HA TYR 14 HA TYR 14 2.715 5.532 -17.106 93 HB2 TYR 14 1HB TYR 14 1.174 7.421 -17.601 94 HB3 TYR 14 2HB TYR 14 0.556 7.384 -15.928 95 HD1 TYR 14 HD2 TYR 14 3.854 7.718 -17.871 96 HD2 TYR 14 HD1 TYR 14 1.607 8.796 -14.273 97 HE1 TYR 14 HE2 TYR 14 5.824 8.490 -16.337 98 HE2 TYR 14 HE1 TYR 14 3.334 10.062 -13.418 99 HH TYR 14 HH TYR 14 5.337 11.093 -13.879 100 H GLN 15 H GLN 15 0.576 5.269 -14.295 101 HA GLN 15 HA GLN 15 2.725 5.672 -12.388 102 HB2 GLN 15 1HB GLN 15 -0.106 4.564 -12.110 103 HB3 GLN 15 2HB GLN 15 1.029 4.727 -10.760 104 HG2 GLN 15 1HG GLN 15 0.058 7.028 -12.506 105 HG3 GLN 15 2HG GLN 15 -0.415 6.696 -10.829 106 HE21 GLN 15 2HE2 GLN 15 1.177 6.880 -9.130 107 HE22 GLN 15 1HE2 GLN 15 2.541 7.980 -9.380 108 H LEU 16 H LEU 16 1.299 2.838 -13.961 109 HA LEU 16 HA LEU 16 2.559 0.832 -12.397 110 HB2 LEU 16 1HB LEU 16 1.323 1.057 -15.020 111 HB3 LEU 16 2HB LEU 16 2.643 -0.127 -15.015 112 HG LEU 16 HG LEU 16 1.555 -1.359 -13.164 113 HD11 LEU 16 1HD1 LEU 16 0.304 0.433 -12.000 114 HD12 LEU 16 2HD1 LEU 16 -0.813 -0.834 -12.541 115 HD13 LEU 16 3HD1 LEU 16 -0.725 0.697 -13.416 116 HD21 LEU 16 3HD2 LEU 16 -0.342 -2.201 -14.575 117 HD22 LEU 16 1HD2 LEU 16 1.116 -1.909 -15.547 118 HD23 LEU 16 2HD2 LEU 16 -0.266 -0.737 -15.588 119 H GLU 17 H GLU 17 3.858 2.821 -15.071 120 HA GLU 17 HA GLU 17 6.279 1.452 -15.499 121 HB2 GLU 17 1HB GLU 17 5.940 4.508 -15.418 122 HB3 GLU 17 2HB GLU 17 7.319 3.598 -16.073 123 HG2 GLU 17 1HG GLU 17 5.757 2.556 -17.671 124 HG3 GLU 17 2HG GLU 17 4.444 3.498 -17.064 125 HE2 GLU 17 HE2 GLU 17 7.144 5.194 -19.311 126 H ASN 18 H ASN 18 5.434 3.518 -12.744 127 HA ASN 18 HA ASN 18 8.171 3.929 -11.885 128 HB2 ASN 18 1HB ASN 18 5.589 3.998 -10.268 129 HB3 ASN 18 2HB ASN 18 7.188 4.555 -9.718 130 HD21 ASN 18 2HD2 ASN 18 4.514 5.864 -10.177 131 HD22 ASN 18 1HD2 ASN 18 4.830 7.194 -11.256 132 H TYR 19 H TYR 19 6.297 1.071 -11.923 133 HA TYR 19 HA TYR 19 7.628 0.036 -9.471 134 HB2 TYR 19 1HB TYR 19 5.301 -1.116 -11.042 135 HB3 TYR 19 2HB TYR 19 5.965 -1.763 -9.536 136 HD1 TYR 19 HD2 TYR 19 4.114 1.108 -10.896 137 HD2 TYR 19 HD1 TYR 19 5.441 -0.831 -7.373 138 HE1 TYR 19 HE2 TYR 19 2.427 2.436 -9.583 139 HE2 TYR 19 HE1 TYR 19 3.818 0.494 -5.979 140 HH TYR 19 HH TYR 19 1.493 2.731 -7.630 141 H CYS 20 H CYS 20 8.543 0.478 -12.475 142 HA CYS 20 HA CYS 20 9.763 -2.212 -12.615 143 HB2 CYS 20 1HB CYS 20 7.888 -1.858 -14.371 144 HB3 CYS 20 2HB CYS 20 9.009 -0.664 -15.082 145 H ASN 21 H ASN 21 11.863 -1.961 -14.150 146 HA ASN 21 HA ASN 21 13.180 0.590 -13.408 147 HB2 ASN 21 1HB ASN 21 14.249 -2.016 -14.609 148 HB3 ASN 21 2HB ASN 21 15.257 -0.714 -14.064 149 HD21 ASN 21 2HD2 ASN 21 15.057 -0.125 -11.728 150 HD22 ASN 21 1HD2 ASN 21 14.705 -1.346 -10.556 151 HXT ASN 21 H02 ASN 21 13.159 1.934 -14.765 152 H1 PHE 1 1H PHE 1 -6.736 -2.071 -23.842 153 H2 PHE 1 2H PHE 1 -7.590 -3.345 -23.397 154 HA PHE 1 HA PHE 1 -6.488 -3.196 -21.112 155 HB2 PHE 1 1HB PHE 1 -4.935 -1.241 -22.679 156 HB3 PHE 1 2HB PHE 1 -5.581 -0.547 -21.237 157 HD1 PHE 1 HD1 PHE 1 -5.061 -1.739 -18.934 158 HD2 PHE 1 HD2 PHE 1 -3.104 -2.718 -22.665 159 HE1 PHE 1 HE1 PHE 1 -3.159 -2.767 -17.698 160 HE2 PHE 1 HE2 PHE 1 -1.327 -3.771 -21.511 161 HZ PHE 1 HZ PHE 1 -1.296 -3.772 -18.975 162 H VAL 2 H VAL 2 -7.331 -2.309 -19.398 163 HA VAL 2 HA VAL 2 -9.258 -0.121 -19.842 164 HB VAL 2 HB VAL 2 -10.720 -1.972 -19.811 165 HG11 VAL 2 1HG1 VAL 2 -9.401 -3.867 -19.165 166 HG12 VAL 2 2HG1 VAL 2 -9.086 -3.209 -17.530 167 HG13 VAL 2 3HG1 VAL 2 -10.719 -3.751 -17.973 168 HG21 VAL 2 3HG2 VAL 2 -12.018 -1.739 -17.682 169 HG22 VAL 2 1HG2 VAL 2 -10.655 -0.916 -16.895 170 HG23 VAL 2 2HG2 VAL 2 -11.477 -0.162 -18.260 171 H ASN 3 H ASN 3 -9.176 1.396 -18.283 172 HA ASN 3 HA ASN 3 -6.973 1.183 -16.302 173 HB2 ASN 3 1HB ASN 3 -8.648 3.474 -17.421 174 HB3 ASN 3 2HB ASN 3 -7.576 3.639 -16.029 175 HD21 ASN 3 2HD2 ASN 3 -6.115 4.967 -16.959 176 HD22 ASN 3 1HD2 ASN 3 -5.031 4.478 -18.230 177 H GLN 4 H GLN 4 -7.686 0.124 -14.508 178 HA GLN 4 HA GLN 4 -10.082 1.220 -13.111 179 HB2 GLN 4 1HB GLN 4 -10.329 -1.196 -14.552 180 HB3 GLN 4 2HB GLN 4 -9.951 -1.737 -12.945 181 HG2 GLN 4 1HG GLN 4 -12.326 -1.689 -12.865 182 HG3 GLN 4 2HG GLN 4 -11.874 -0.110 -12.134 183 HE21 GLN 4 2HE2 GLN 4 -12.245 1.832 -13.374 184 HE22 GLN 4 1HE2 GLN 4 -13.351 1.782 -14.673 185 H HIS 5 H HIS 5 -9.981 -0.828 -11.068 186 HA HIS 5 HA HIS 5 -7.699 0.164 -9.521 187 HB2 HIS 5 1HB HIS 5 -9.940 -1.737 -8.772 188 HB3 HIS 5 2HB HIS 5 -8.649 -1.170 -7.671 189 HD1 HIS 5 HD1 HIS 5 -8.872 1.274 -6.862 190 HD2 HIS 5 HD2 HIS 5 -11.967 0.194 -9.453 191 HE1 HIS 5 HE1 HIS 5 -10.689 3.103 -6.636 192 HE2 HIS 5 H01 HIS 5 -12.533 2.445 -8.249 193 H LEU 6 H LEU 6 -6.150 -0.776 -11.081 194 HA LEU 6 HA LEU 6 -6.020 -3.683 -11.473 195 HB2 LEU 6 1HB LEU 6 -3.904 -1.475 -11.674 196 HB3 LEU 6 2HB LEU 6 -3.579 -3.169 -12.021 197 HG LEU 6 HG LEU 6 -5.698 -1.638 -13.532 198 HD11 LEU 6 1HD1 LEU 6 -3.608 -0.387 -13.732 199 HD12 LEU 6 2HD1 LEU 6 -3.931 -1.220 -15.230 200 HD13 LEU 6 3HD1 LEU 6 -2.733 -1.846 -14.121 201 HD21 LEU 6 3HD2 LEU 6 -5.126 -3.321 -15.340 202 HD22 LEU 6 1HD2 LEU 6 -5.722 -4.142 -13.884 203 HD23 LEU 6 2HD2 LEU 6 -3.975 -4.089 -14.229 204 H CYS 7 H CYS 7 -5.876 -5.065 -9.806 205 HA CYS 7 HA CYS 7 -3.630 -4.771 -7.960 206 HB2 CYS 7 1HB CYS 7 -6.309 -4.256 -7.213 207 HB3 CYS 7 2HB CYS 7 -5.929 -5.888 -6.626 208 H AIB 8 H AIB 8 -3.623 -6.769 -6.597 209 HB11 AIB 8 1HB1 AIB 8 -5.524 -9.656 -8.025 210 HB12 AIB 8 3HB1 AIB 8 -5.496 -9.256 -6.255 211 HB13 AIB 8 1HB2 AIB 8 -4.680 -10.734 -6.879 212 HB21 AIB 8 3HB2 AIB 8 -1.695 -8.444 -6.293 213 HB22 AIB 8 2HB1 AIB 8 -2.412 -10.054 -5.888 214 HB23 AIB 8 2HB2 AIB 8 -3.088 -8.541 -5.198 215 H SER 9 H SER 9 -3.621 -11.085 -8.641 216 HA SER 9 HA SER 9 -1.091 -11.091 -10.033 217 HB2 SER 9 1HB SER 9 -2.479 -13.094 -9.674 218 HB3 SER 9 2HB SER 9 -3.618 -12.525 -10.939 219 HG SER 9 HG SER 9 -1.621 -13.990 -11.429 220 H HIS 10 H HIS 10 -4.253 -9.713 -10.942 221 HA HIS 10 HA HIS 10 -3.520 -9.184 -13.670 222 HB2 HIS 10 1HB HIS 10 -5.468 -7.886 -11.777 223 HB3 HIS 10 2HB HIS 10 -5.147 -7.183 -13.389 224 HD1 HIS 10 HD1 HIS 10 -5.802 -8.571 -15.540 225 HD2 HIS 10 HD2 HIS 10 -7.092 -10.100 -11.855 226 HE1 HIS 10 HE1 HIS 10 -7.468 -10.370 -16.059 227 HE2 HIS 10 H01 HIS 10 -8.326 -11.310 -13.852 228 H LEU 11 H LEU 11 -2.739 -7.395 -10.709 229 HA LEU 11 HA LEU 11 -1.841 -5.044 -12.144 230 HB2 LEU 11 1HB LEU 11 -2.389 -5.042 -9.762 231 HB3 LEU 11 2HB LEU 11 -1.056 -6.135 -9.458 232 HG LEU 11 HG LEU 11 -0.751 -3.862 -8.586 233 HD11 LEU 11 1HD1 LEU 11 1.130 -5.549 -9.018 234 HD12 LEU 11 2HD1 LEU 11 1.663 -3.829 -9.131 235 HD13 LEU 11 3HD1 LEU 11 1.421 -4.787 -10.617 236 HD21 LEU 11 3HD2 LEU 11 0.095 -2.113 -10.061 237 HD22 LEU 11 1HD2 LEU 11 -1.575 -2.524 -10.493 238 HD23 LEU 11 2HD2 LEU 11 -0.220 -3.110 -11.485 239 H VAL 12 H VAL 12 -0.263 -8.017 -11.050 240 HA VAL 12 HA VAL 12 2.418 -7.273 -11.818 241 HB VAL 12 HB VAL 12 1.072 -10.003 -11.621 242 HG11 VAL 12 1HG1 VAL 12 3.481 -10.806 -11.223 243 HG12 VAL 12 2HG1 VAL 12 3.088 -10.349 -12.889 244 HG13 VAL 12 3HG1 VAL 12 4.005 -9.231 -11.815 245 HG21 VAL 12 3HG2 VAL 12 0.855 -8.949 -9.498 246 HG22 VAL 12 1HG2 VAL 12 2.345 -9.883 -9.351 247 HG23 VAL 12 2HG2 VAL 12 2.449 -8.155 -9.641 248 H GLU 13 H GLU 13 -0.223 -8.981 -13.486 249 HA GLU 13 HA GLU 13 1.375 -9.468 -15.847 250 HB2 GLU 13 1HB GLU 13 -0.697 -10.732 -15.310 251 HB3 GLU 13 2HB GLU 13 -1.681 -9.246 -15.530 252 HG2 GLU 13 1HG GLU 13 -0.938 -9.169 -17.959 253 HG3 GLU 13 2HG GLU 13 0.004 -10.661 -17.625 254 HE2 GLU 13 HE2 GLU 13 -3.345 -11.223 -19.041 255 H ALA 14 H ALA 14 -0.807 -6.781 -14.905 256 HA ALA 14 HA ALA 14 -0.592 -5.506 -17.507 257 HB1 ALA 14 3HB ALA 14 -1.402 -3.503 -16.296 258 HB2 ALA 14 1HB ALA 14 -2.396 -4.963 -16.027 259 HB3 ALA 14 2HB ALA 14 -1.239 -4.405 -14.760 260 H LEU 15 H LEU 15 1.381 -5.429 -14.490 261 HA LEU 15 HA LEU 15 3.126 -3.323 -15.269 262 HB2 LEU 15 1HB LEU 15 2.803 -5.117 -13.197 263 HB3 LEU 15 2HB LEU 15 4.364 -5.604 -13.824 264 HG LEU 15 HG LEU 15 3.605 -2.830 -12.849 265 HD11 LEU 15 1HD1 LEU 15 5.397 -4.924 -11.653 266 HD12 LEU 15 2HD1 LEU 15 3.763 -4.626 -11.130 267 HD13 LEU 15 3HD1 LEU 15 4.992 -3.356 -10.954 268 HD21 LEU 15 3HD2 LEU 15 6.111 -4.017 -14.110 269 HD22 LEU 15 1HD2 LEU 15 6.238 -2.645 -12.976 270 HD23 LEU 15 2HD2 LEU 15 5.301 -2.470 -14.490 271 H TYR 16 H TYR 16 3.233 -6.916 -15.858 272 HA TYR 16 HA TYR 16 5.685 -6.892 -17.252 273 HB2 TYR 16 1HB TYR 16 4.423 -8.869 -16.419 274 HB3 TYR 16 2HB TYR 16 3.241 -8.596 -17.684 275 HD1 TYR 16 HD1 TYR 16 6.945 -9.270 -17.240 276 HD2 TYR 16 HD2 TYR 16 3.512 -9.546 -19.840 277 HE1 TYR 16 HE1 TYR 16 8.286 -10.551 -18.850 278 HE2 TYR 16 HE2 TYR 16 4.919 -10.757 -21.450 279 HH TYR 16 HH TYR 16 8.248 -11.821 -20.806 280 H LEU 17 H LEU 17 2.378 -6.354 -18.351 281 HA LEU 17 HA LEU 17 3.056 -6.123 -21.160 282 HB2 LEU 17 1HB LEU 17 0.722 -5.057 -19.554 283 HB3 LEU 17 2HB LEU 17 0.867 -4.880 -21.320 284 HG LEU 17 HG LEU 17 0.919 -7.548 -19.909 285 HD11 LEU 17 1HD1 LEU 17 -1.403 -7.782 -20.683 286 HD12 LEU 17 2HD1 LEU 17 -1.419 -6.055 -21.052 287 HD13 LEU 17 3HD1 LEU 17 -1.158 -6.604 -19.375 288 HD21 LEU 17 3HD2 LEU 17 1.899 -7.541 -22.200 289 HD22 LEU 17 1HD2 LEU 17 0.416 -6.810 -22.847 290 HD23 LEU 17 2HD2 LEU 17 0.382 -8.461 -22.163 291 H VAL 18 H VAL 18 2.953 -3.658 -18.578 292 HA VAL 18 HA VAL 18 3.407 -1.476 -20.468 293 HB VAL 18 HB VAL 18 3.683 -1.890 -17.447 294 HG11 VAL 18 1HG1 VAL 18 3.979 0.563 -17.199 295 HG12 VAL 18 2HG1 VAL 18 5.396 -0.242 -17.930 296 HG13 VAL 18 3HG1 VAL 18 4.252 0.693 -18.984 297 HG21 VAL 18 3HG2 VAL 18 1.392 -1.711 -18.286 298 HG22 VAL 18 1HG2 VAL 18 1.799 -0.201 -17.413 299 HG23 VAL 18 2HG2 VAL 18 1.797 -0.248 -19.199 300 H CYS 19 H CYS 19 5.554 -3.540 -18.439 301 HA CYS 19 HA CYS 19 7.784 -1.879 -19.285 302 HB2 CYS 19 1HB CYS 19 7.233 -3.182 -17.043 303 HB3 CYS 19 2HB CYS 19 8.196 -4.473 -17.806 304 H GLY 20 H GLY 20 6.275 -4.739 -20.601 305 HA2 GLY 20 1HA GLY 20 6.806 -5.676 -22.717 306 HA3 GLY 20 2HA GLY 20 8.351 -4.877 -22.650 307 H GLU 21 H GLU 21 8.758 -7.204 -23.489 308 HA GLU 21 HA GLU 21 8.763 -9.317 -21.623 309 HB2 GLU 21 1HB GLU 21 10.404 -8.973 -24.144 310 HB3 GLU 21 2HB GLU 21 10.182 -10.509 -23.258 311 HG2 GLU 21 1HG GLU 21 7.740 -10.323 -23.667 312 HG3 GLU 21 2HG GLU 21 8.010 -8.826 -24.562 313 HE2 GLU 21 HE2 GLU 21 8.736 -8.845 -26.445 314 H ARG 22 H ARG 22 10.685 -6.617 -21.504 315 HA ARG 22 HA ARG 22 13.258 -7.736 -20.801 316 HB2 ARG 22 1HB ARG 22 12.297 -5.206 -19.508 317 HB3 ARG 22 2HB ARG 22 13.888 -5.661 -20.109 318 HG2 ARG 22 1HG ARG 22 11.446 -4.782 -21.763 319 HG3 ARG 22 2HG ARG 22 12.930 -3.834 -21.446 320 HD2 ARG 22 1HD ARG 22 12.892 -6.452 -23.027 321 HD3 ARG 22 2HD ARG 22 12.808 -4.844 -23.788 322 HE ARG 22 HE ARG 22 15.110 -4.988 -22.043 323 HH11 ARG 22 1HH1 ARG 22 14.029 -6.344 -25.124 324 HH12 ARG 22 2HH1 ARG 22 15.639 -6.439 -25.763 325 HH21 ARG 22 1HH2 ARG 22 17.145 -5.109 -22.924 326 HH22 ARG 22 2HH2 ARG 22 17.386 -5.748 -24.528 327 H GLY 23 H GLY 23 10.202 -7.230 -19.086 328 HA2 GLY 23 1HA GLY 23 9.550 -8.100 -17.065 329 HA3 GLY 23 2HA GLY 23 10.974 -9.144 -17.097 330 H PHE 24 H PHE 24 10.552 -8.562 -14.682 331 HA PHE 24 HA PHE 24 12.572 -6.563 -13.945 332 HB2 PHE 24 1HB PHE 24 10.941 -5.634 -12.160 333 HB3 PHE 24 2HB PHE 24 10.713 -5.043 -13.827 334 HD1 PHE 24 HD1 PHE 24 8.747 -5.833 -15.137 335 HD2 PHE 24 HD2 PHE 24 9.446 -7.095 -11.078 336 HE1 PHE 24 HE1 PHE 24 6.451 -6.708 -15.047 337 HE2 PHE 24 HE2 PHE 24 7.025 -7.851 -10.898 338 HZ PHE 24 HZ PHE 24 5.492 -7.649 -12.931 339 H PHE 25 H PHE 25 13.172 -6.932 -11.654 340 HA PHE 25 HA PHE 25 12.914 -9.831 -10.969 341 HB2 PHE 25 1HB PHE 25 15.027 -7.928 -10.828 342 HB3 PHE 25 2HB PHE 25 14.574 -8.257 -9.175 343 HD1 PHE 25 HD2 PHE 25 15.785 -9.873 -12.277 344 HD2 PHE 25 HD1 PHE 25 14.919 -10.387 -8.070 345 HE1 PHE 25 HE2 PHE 25 17.113 -11.928 -12.293 346 HE2 PHE 25 HE1 PHE 25 16.155 -12.580 -8.105 347 HZ PHE 25 HZ PHE 25 17.231 -13.385 -10.164 348 H TYR 26 H TYR 26 12.843 -10.345 -8.620 349 HA TYR 26 HA TYR 26 11.081 -8.468 -7.048 350 HB2 TYR 26 1HB TYR 26 10.096 -10.680 -8.238 351 HB3 TYR 26 2HB TYR 26 10.799 -11.501 -6.861 352 HD1 TYR 26 HD2 TYR 26 10.324 -9.365 -4.766 353 HD2 TYR 26 HD1 TYR 26 7.835 -11.012 -7.856 354 HE1 TYR 26 HE2 TYR 26 8.240 -8.827 -3.398 355 HE2 TYR 26 HE1 TYR 26 5.802 -10.486 -6.513 356 HH TYR 26 HH TYR 26 4.984 -9.360 -4.685 357 H THR 27 H THR 27 13.487 -8.065 -6.677 358 HA THR 27 HA THR 27 15.218 -7.957 -5.122 359 HB THR 27 HB THR 27 13.753 -9.906 -3.377 360 HG1 THR 27 HG1 THR 27 12.842 -7.908 -2.516 361 HG21 THR 27 1HG2 THR 27 14.789 -8.483 -1.568 362 HG22 THR 27 2HG2 THR 27 15.642 -7.561 -2.815 363 HG23 THR 27 3HG2 THR 27 15.998 -9.300 -2.572 364 H LYS 28 H LYS 28 17.293 -8.954 -4.769 365 HA LYS 28 HA LYS 28 17.453 -11.552 -6.197 366 HB2 LYS 28 1HB LYS 28 19.466 -9.655 -4.960 367 HB3 LYS 28 2HB LYS 28 19.954 -11.315 -5.291 368 HG2 LYS 28 1HG LYS 28 18.842 -9.384 -7.406 369 HG3 LYS 28 2HG LYS 28 20.544 -9.659 -7.042 370 HD2 LYS 28 1HD LYS 28 20.358 -12.040 -7.589 371 HD3 LYS 28 2HD LYS 28 18.672 -11.834 -8.101 372 HE2 LYS 28 1HE LYS 28 21.108 -10.507 -9.430 373 HE3 LYS 28 2HE LYS 28 20.137 -11.842 -10.070 374 HZ1 LYS 28 3HZ LYS 28 18.283 -10.501 -10.368 375 HZ2 LYS 28 1HZ LYS 28 19.539 -9.518 -10.873 376 HZ3 LYS 28 2HZ LYS 28 18.775 -9.305 -9.347 377 HA PRO 29 HA PRO 29 17.170 -13.476 -2.138 378 HB2 PRO 29 1HB PRO 29 17.632 -16.115 -2.810 379 HB3 PRO 29 2HB PRO 29 16.061 -15.265 -3.177 380 HG2 PRO 29 1HG PRO 29 18.399 -15.840 -4.945 381 HG3 PRO 29 2HG PRO 29 16.684 -16.097 -5.281 382 HD2 PRO 29 1HD PRO 29 17.993 -13.809 -6.193 383 HD3 PRO 29 2HD PRO 29 16.257 -13.838 -5.681 384 H THR 30 H THR 30 18.957 -13.153 -0.819 385 HA THR 30 HA THR 30 21.470 -14.539 -1.214 386 HB THR 30 HB THR 30 21.679 -12.596 -2.860 387 HG1 THR 30 HG1 THR 30 23.579 -12.112 -0.711 388 HG21 THR 30 1HG2 THR 30 21.633 -10.867 -0.290 389 HG22 THR 30 2HG2 THR 30 20.443 -10.907 -1.595 390 HG23 THR 30 3HG2 THR 30 22.032 -10.301 -1.905 391 HXT THR 30 H02 THR 30 22.021 -14.139 1.936 Start of MODEL 29 1 H1 GLY 1 1H GLY 1 4.716 1.757 -0.189 2 H2 GLY 1 2H GLY 1 3.927 3.230 -0.422 3 HA2 GLY 1 1HA GLY 1 2.930 0.498 -1.001 4 HA3 GLY 1 2HA GLY 1 2.246 1.758 0.062 5 H ILE 2 H ILE 2 3.605 2.252 -3.006 6 HA ILE 2 HA ILE 2 1.310 3.629 -4.206 7 HB ILE 2 HB ILE 2 3.532 2.135 -5.647 8 HG12 ILE 2 1HG1 ILE 2 3.498 5.055 -5.019 9 HG13 ILE 2 2HG1 ILE 2 4.248 3.935 -3.872 10 HG21 ILE 2 1HG2 ILE 2 1.524 4.315 -6.475 11 HG22 ILE 2 2HG2 ILE 2 3.001 4.008 -7.425 12 HG23 ILE 2 3HG2 ILE 2 1.785 2.766 -7.224 13 HD11 ILE 2 3HD1 ILE 2 5.165 4.577 -6.718 14 HD12 ILE 2 1HD1 ILE 2 6.092 4.597 -5.200 15 HD13 ILE 2 2HD1 ILE 2 5.669 3.079 -5.954 16 H VAL 3 H VAL 3 2.384 0.157 -4.266 17 HA VAL 3 HA VAL 3 0.320 -0.651 -6.099 18 HB VAL 3 HB VAL 3 2.410 -2.005 -5.597 19 HG11 VAL 3 1HG1 VAL 3 2.399 -3.522 -3.661 20 HG12 VAL 3 2HG1 VAL 3 2.372 -1.863 -3.113 21 HG13 VAL 3 3HG1 VAL 3 0.910 -2.841 -3.060 22 HG21 VAL 3 3HG2 VAL 3 1.312 -4.140 -5.852 23 HG22 VAL 3 1HG2 VAL 3 -0.229 -3.459 -5.341 24 HG23 VAL 3 2HG2 VAL 3 0.538 -2.894 -6.841 25 H GLU 4 H GLU 4 0.402 -0.193 -2.502 26 HA GLU 4 HA GLU 4 -2.142 -1.518 -2.144 27 HB2 GLU 4 1HB GLU 4 -0.533 -0.940 -0.258 28 HB3 GLU 4 2HB GLU 4 -0.934 0.758 -0.514 29 HG2 GLU 4 1HG GLU 4 -3.298 0.306 -0.012 30 HG3 GLU 4 2HG GLU 4 -2.929 -1.419 0.113 31 HE2 GLU 4 HE2 GLU 4 -3.966 -0.673 2.103 32 H GLN 5 H GLN 5 -1.076 1.860 -2.790 33 HA GLN 5 HA GLN 5 -3.654 3.037 -2.701 34 HB2 GLN 5 1HB GLN 5 -1.209 3.738 -4.347 35 HB3 GLN 5 2HB GLN 5 -2.651 4.738 -4.279 36 HG2 GLN 5 1HG GLN 5 -1.076 3.947 -1.766 37 HG3 GLN 5 2HG GLN 5 -0.689 5.377 -2.735 38 HE21 GLN 5 2HE2 GLN 5 -1.594 7.246 -2.136 39 HE22 GLN 5 1HE2 GLN 5 -3.054 7.384 -1.193 40 H CYS 6 H CYS 6 -1.894 1.428 -5.412 41 HA CYS 6 HA CYS 6 -3.982 2.101 -7.358 42 HB2 CYS 6 1HB CYS 6 -1.605 1.543 -7.887 43 HB3 CYS 6 2HB CYS 6 -2.007 -0.161 -7.580 44 H CYS 7 H CYS 7 -3.516 -0.554 -5.078 45 HA CYS 7 HA CYS 7 -5.489 -2.338 -6.221 46 HB2 CYS 7 1HB CYS 7 -3.719 -2.738 -4.305 47 HB3 CYS 7 2HB CYS 7 -4.940 -2.103 -3.231 48 H THR 8 H THR 8 -5.748 0.276 -3.754 49 HA THR 8 HA THR 8 -8.631 -0.320 -3.544 50 HB THR 8 HB THR 8 -7.285 0.127 -1.486 51 HG1 THR 8 HG1 THR 8 -8.882 1.574 -0.620 52 HG21 THR 8 1HG2 THR 8 -7.274 3.029 -2.365 53 HG22 THR 8 2HG2 THR 8 -5.862 1.933 -2.376 54 HG23 THR 8 3HG2 THR 8 -6.642 2.357 -0.859 55 H SER 9 H SER 9 -6.602 2.050 -5.165 56 HA SER 9 HA SER 9 -9.071 3.411 -6.018 57 HB2 SER 9 1HB SER 9 -6.400 4.651 -5.307 58 HB3 SER 9 2HB SER 9 -7.756 5.546 -5.999 59 HG SER 9 HG SER 9 -7.456 5.394 -3.544 60 H ILE 10 H ILE 10 -8.759 4.729 -8.119 61 HA ILE 10 HA ILE 10 -7.538 3.045 -10.103 62 HB ILE 10 HB ILE 10 -8.240 6.004 -10.458 63 HG12 ILE 10 1HG1 ILE 10 -10.209 4.973 -9.506 64 HG13 ILE 10 2HG1 ILE 10 -10.437 5.200 -11.235 65 HG21 ILE 10 1HG2 ILE 10 -6.983 5.038 -12.369 66 HG22 ILE 10 2HG2 ILE 10 -8.185 3.725 -12.522 67 HG23 ILE 10 3HG2 ILE 10 -8.652 5.396 -12.820 68 HD11 ILE 10 3HD1 ILE 10 -9.856 2.711 -11.538 69 HD12 ILE 10 1HD1 ILE 10 -9.978 2.553 -9.761 70 HD13 ILE 10 2HD1 ILE 10 -11.390 3.053 -10.722 71 H CYS 11 H CYS 11 -5.508 3.002 -11.094 72 HA CYS 11 HA CYS 11 -3.820 5.357 -10.720 73 HB2 CYS 11 1HB CYS 11 -2.012 4.230 -9.935 74 HB3 CYS 11 2HB CYS 11 -3.306 3.398 -9.103 75 H SER 12 H SER 12 -2.110 5.472 -12.213 76 HA SER 12 HA SER 12 -3.248 4.828 -14.839 77 HB2 SER 12 1HB SER 12 -1.814 6.573 -15.724 78 HB3 SER 12 2HB SER 12 -2.585 7.188 -14.244 79 HG SER 12 HG SER 12 -0.753 7.357 -13.321 80 H LEU 13 H LEU 13 -1.805 4.479 -16.809 81 HA LEU 13 HA LEU 13 0.055 2.296 -16.523 82 HB2 LEU 13 1HB LEU 13 -0.451 4.301 -18.741 83 HB3 LEU 13 2HB LEU 13 1.040 3.239 -18.751 84 HG LEU 13 HG LEU 13 -0.350 1.309 -18.326 85 HD11 LEU 13 1HD1 LEU 13 -2.661 2.875 -19.543 86 HD12 LEU 13 2HD1 LEU 13 -2.490 2.552 -17.792 87 HD13 LEU 13 3HD1 LEU 13 -2.637 1.179 -18.917 88 HD21 LEU 13 3HD2 LEU 13 -0.747 2.647 -21.095 89 HD22 LEU 13 1HD2 LEU 13 -0.668 0.878 -20.770 90 HD23 LEU 13 2HD2 LEU 13 0.720 1.866 -20.532 91 H TYR 14 H TYR 14 0.481 5.834 -16.288 92 HA TYR 14 HA TYR 14 3.336 5.819 -16.574 93 HB2 TYR 14 1HB TYR 14 1.706 7.733 -16.917 94 HB3 TYR 14 2HB TYR 14 1.505 7.880 -15.235 95 HD1 TYR 14 HD2 TYR 14 3.975 8.164 -17.920 96 HD2 TYR 14 HD1 TYR 14 3.237 8.706 -13.784 97 HE1 TYR 14 HE2 TYR 14 6.406 8.716 -17.123 98 HE2 TYR 14 HE1 TYR 14 5.128 10.034 -13.496 99 HH TYR 14 HH TYR 14 7.192 11.143 -15.996 100 H GLN 15 H GLN 15 1.056 5.558 -13.887 101 HA GLN 15 HA GLN 15 3.074 5.607 -11.809 102 HB2 GLN 15 1HB GLN 15 0.178 4.756 -11.865 103 HB3 GLN 15 2HB GLN 15 1.156 4.543 -10.406 104 HG2 GLN 15 1HG GLN 15 1.542 6.921 -10.229 105 HG3 GLN 15 2HG GLN 15 0.844 7.232 -11.800 106 HE21 GLN 15 2HE2 GLN 15 0.215 7.196 -8.534 107 HE22 GLN 15 1HE2 GLN 15 -1.560 7.325 -8.595 108 H LEU 16 H LEU 16 1.337 3.047 -13.628 109 HA LEU 16 HA LEU 16 2.412 0.850 -12.247 110 HB2 LEU 16 1HB LEU 16 1.417 1.455 -15.016 111 HB3 LEU 16 2HB LEU 16 2.383 0.013 -14.827 112 HG LEU 16 HG LEU 16 -0.043 0.550 -13.194 113 HD11 LEU 16 1HD1 LEU 16 0.254 -1.039 -15.783 114 HD12 LEU 16 2HD1 LEU 16 -0.730 0.438 -15.531 115 HD13 LEU 16 3HD1 LEU 16 -1.197 -1.081 -14.736 116 HD21 LEU 16 3HD2 LEU 16 1.457 -1.058 -12.194 117 HD22 LEU 16 1HD2 LEU 16 1.512 -1.976 -13.690 118 HD23 LEU 16 2HD2 LEU 16 -0.011 -1.838 -12.761 119 H GLU 17 H GLU 17 3.916 2.896 -14.793 120 HA GLU 17 HA GLU 17 6.081 1.206 -15.383 121 HB2 GLU 17 1HB GLU 17 5.706 4.248 -15.508 122 HB3 GLU 17 2HB GLU 17 7.253 3.507 -15.942 123 HG2 GLU 17 1HG GLU 17 6.130 2.136 -17.650 124 HG3 GLU 17 2HG GLU 17 4.557 2.720 -17.188 125 HE2 GLU 17 HE2 GLU 17 6.643 2.974 -19.414 126 H ASN 18 H ASN 18 5.550 3.172 -12.560 127 HA ASN 18 HA ASN 18 8.419 3.575 -11.961 128 HB2 ASN 18 1HB ASN 18 5.839 4.103 -10.424 129 HB3 ASN 18 2HB ASN 18 7.412 4.182 -9.642 130 HD21 ASN 18 2HD2 ASN 18 5.148 5.699 -11.716 131 HD22 ASN 18 1HD2 ASN 18 6.092 7.119 -12.053 132 H TYR 19 H TYR 19 6.126 0.903 -11.491 133 HA TYR 19 HA TYR 19 7.525 -0.330 -9.212 134 HB2 TYR 19 1HB TYR 19 5.867 -1.580 -11.396 135 HB3 TYR 19 2HB TYR 19 6.325 -2.340 -9.889 136 HD1 TYR 19 HD2 TYR 19 5.702 -0.618 -7.716 137 HD2 TYR 19 HD1 TYR 19 3.600 -0.878 -11.460 138 HE1 TYR 19 HE2 TYR 19 3.597 0.193 -6.644 139 HE2 TYR 19 HE1 TYR 19 1.503 -0.031 -10.353 140 HH TYR 19 HH TYR 19 0.554 0.573 -8.428 141 H CYS 20 H CYS 20 8.243 0.175 -12.564 142 HA CYS 20 HA CYS 20 10.099 -2.103 -12.750 143 HB2 CYS 20 1HB CYS 20 9.491 0.146 -14.757 144 HB3 CYS 20 2HB CYS 20 10.548 -1.238 -15.041 145 H ASN 21 H ASN 21 12.371 -1.735 -12.759 146 HA ASN 21 HA ASN 21 13.171 0.707 -11.440 147 HB2 ASN 21 1HB ASN 21 15.370 -0.367 -10.934 148 HB3 ASN 21 2HB ASN 21 13.983 -1.471 -10.568 149 HD21 ASN 21 2HD2 ASN 21 17.001 -1.732 -11.338 150 HD22 ASN 21 1HD2 ASN 21 16.957 -2.943 -12.582 151 HXT ASN 21 H02 ASN 21 12.499 1.684 -13.125 152 H1 PHE 1 1H PHE 1 -5.377 1.802 -19.508 153 H2 PHE 1 2H PHE 1 -4.421 0.646 -20.033 154 HA PHE 1 HA PHE 1 -6.653 -0.615 -20.347 155 HB2 PHE 1 1HB PHE 1 -5.569 -0.264 -17.566 156 HB3 PHE 1 2HB PHE 1 -6.513 -1.648 -18.097 157 HD1 PHE 1 HD2 PHE 1 -5.342 -2.867 -20.354 158 HD2 PHE 1 HD1 PHE 1 -3.288 -0.385 -17.403 159 HE1 PHE 1 HE2 PHE 1 -3.138 -3.803 -21.050 160 HE2 PHE 1 HE1 PHE 1 -1.155 -1.413 -18.144 161 HZ PHE 1 HZ PHE 1 -1.075 -3.095 -19.849 162 H VAL 2 H VAL 2 -8.459 -1.136 -19.146 163 HA VAL 2 HA VAL 2 -10.387 0.972 -18.893 164 HB VAL 2 HB VAL 2 -11.071 -1.370 -19.446 165 HG11 VAL 2 1HG1 VAL 2 -9.392 -2.506 -17.919 166 HG12 VAL 2 2HG1 VAL 2 -10.469 -2.179 -16.578 167 HG13 VAL 2 3HG1 VAL 2 -11.012 -3.178 -17.915 168 HG21 VAL 2 3HG2 VAL 2 -13.062 -1.486 -18.030 169 HG22 VAL 2 1HG2 VAL 2 -12.291 -0.498 -16.737 170 HG23 VAL 2 2HG2 VAL 2 -12.683 0.256 -18.339 171 H ASN 3 H ASN 3 -11.062 2.103 -17.173 172 HA ASN 3 HA ASN 3 -9.394 2.251 -14.886 173 HB2 ASN 3 1HB ASN 3 -11.935 3.709 -15.546 174 HB3 ASN 3 2HB ASN 3 -10.849 4.121 -14.198 175 HD21 ASN 3 2HD2 ASN 3 -8.859 5.115 -14.531 176 HD22 ASN 3 1HD2 ASN 3 -8.500 5.878 -16.120 177 H GLN 4 H GLN 4 -9.971 -0.003 -14.371 178 HA GLN 4 HA GLN 4 -12.299 -0.196 -12.472 179 HB2 GLN 4 1HB GLN 4 -11.924 -1.640 -14.770 180 HB3 GLN 4 2HB GLN 4 -11.154 -2.693 -13.569 181 HG2 GLN 4 1HG GLN 4 -13.363 -2.254 -12.228 182 HG3 GLN 4 2HG GLN 4 -14.073 -1.696 -13.746 183 HE21 GLN 4 2HE2 GLN 4 -14.449 -3.988 -11.829 184 HE22 GLN 4 1HE2 GLN 4 -14.508 -5.420 -12.848 185 H HIS 5 H HIS 5 -9.006 0.195 -12.459 186 HA HIS 5 HA HIS 5 -7.254 -0.644 -11.159 187 HB2 HIS 5 1HB HIS 5 -7.387 0.089 -8.977 188 HB3 HIS 5 2HB HIS 5 -8.359 1.179 -9.908 189 HD1 HIS 5 HD1 HIS 5 -8.542 -0.452 -6.785 190 HD2 HIS 5 HD2 HIS 5 -11.329 0.314 -9.848 191 HE1 HIS 5 HE1 HIS 5 -10.859 -0.443 -5.724 192 HE2 HIS 5 H01 HIS 5 -12.486 -0.056 -7.619 193 H LEU 6 H LEU 6 -7.616 -2.827 -12.196 194 HA LEU 6 HA LEU 6 -8.572 -5.023 -10.518 195 HB2 LEU 6 1HB LEU 6 -6.532 -5.091 -12.770 196 HB3 LEU 6 2HB LEU 6 -7.411 -6.483 -12.098 197 HG LEU 6 HG LEU 6 -8.749 -4.221 -13.596 198 HD11 LEU 6 1HD1 LEU 6 -7.783 -6.912 -14.663 199 HD12 LEU 6 2HD1 LEU 6 -7.102 -5.312 -15.057 200 HD13 LEU 6 3HD1 LEU 6 -8.775 -5.721 -15.560 201 HD21 LEU 6 3HD2 LEU 6 -10.577 -5.951 -13.894 202 HD22 LEU 6 1HD2 LEU 6 -10.295 -5.515 -12.164 203 HD23 LEU 6 2HD2 LEU 6 -9.652 -7.048 -12.811 204 H CYS 7 H CYS 7 -7.362 -6.113 -9.040 205 HA CYS 7 HA CYS 7 -4.605 -5.156 -8.564 206 HB2 CYS 7 1HB CYS 7 -6.478 -4.592 -6.819 207 HB3 CYS 7 2HB CYS 7 -6.527 -6.323 -6.512 208 H AIB 8 H AIB 8 -4.250 -7.212 -6.554 209 HB11 AIB 8 1HB1 AIB 8 -5.537 -9.787 -6.156 210 HB12 AIB 8 3HB1 AIB 8 -4.494 -11.163 -6.656 211 HB13 AIB 8 1HB2 AIB 8 -5.525 -10.319 -7.855 212 HB21 AIB 8 3HB2 AIB 8 -1.995 -8.331 -6.290 213 HB22 AIB 8 2HB1 AIB 8 -2.286 -10.032 -5.986 214 HB23 AIB 8 2HB2 AIB 8 -3.298 -8.824 -5.181 215 H SER 9 H SER 9 -3.614 -11.389 -8.538 216 HA SER 9 HA SER 9 -1.299 -11.286 -10.045 217 HB2 SER 9 1HB SER 9 -2.601 -13.363 -9.644 218 HB3 SER 9 2HB SER 9 -3.873 -12.767 -10.693 219 HG SER 9 HG SER 9 -2.605 -14.083 -11.885 220 H HIS 10 H HIS 10 -4.454 -9.891 -10.886 221 HA HIS 10 HA HIS 10 -3.771 -9.478 -13.635 222 HB2 HIS 10 1HB HIS 10 -5.752 -7.933 -11.911 223 HB3 HIS 10 2HB HIS 10 -5.699 -7.914 -13.683 224 HD1 HIS 10 HD1 HIS 10 -6.201 -10.298 -14.940 225 HD2 HIS 10 HD2 HIS 10 -7.355 -9.935 -10.918 226 HE1 HIS 10 HE1 HIS 10 -7.939 -12.130 -14.469 227 HE2 HIS 10 H01 HIS 10 -8.620 -11.867 -12.043 228 H LEU 11 H LEU 11 -3.219 -7.565 -10.702 229 HA LEU 11 HA LEU 11 -2.335 -5.155 -12.159 230 HB2 LEU 11 1HB LEU 11 -3.145 -5.205 -9.795 231 HB3 LEU 11 2HB LEU 11 -1.707 -6.115 -9.344 232 HG LEU 11 HG LEU 11 -1.718 -3.775 -8.654 233 HD11 LEU 11 1HD1 LEU 11 0.480 -3.201 -9.161 234 HD12 LEU 11 2HD1 LEU 11 0.536 -4.317 -10.565 235 HD13 LEU 11 3HD1 LEU 11 0.386 -4.943 -8.896 236 HD21 LEU 11 3HD2 LEU 11 -2.869 -2.964 -10.746 237 HD22 LEU 11 1HD2 LEU 11 -1.300 -3.029 -11.558 238 HD23 LEU 11 2HD2 LEU 11 -1.553 -1.977 -10.151 239 H VAL 12 H VAL 12 -0.815 -8.095 -10.910 240 HA VAL 12 HA VAL 12 1.830 -7.305 -11.563 241 HB VAL 12 HB VAL 12 0.738 -10.149 -11.431 242 HG11 VAL 12 1HG1 VAL 12 3.159 -10.776 -10.980 243 HG12 VAL 12 2HG1 VAL 12 3.005 -9.981 -12.566 244 HG13 VAL 12 3HG1 VAL 12 3.596 -9.064 -11.173 245 HG21 VAL 12 3HG2 VAL 12 2.052 -8.387 -9.268 246 HG22 VAL 12 1HG2 VAL 12 0.331 -8.844 -9.299 247 HG23 VAL 12 2HG2 VAL 12 1.581 -10.117 -9.039 248 H GLU 13 H GLU 13 -0.707 -8.988 -13.427 249 HA GLU 13 HA GLU 13 0.944 -9.511 -15.696 250 HB2 GLU 13 1HB GLU 13 -1.250 -10.615 -15.081 251 HB3 GLU 13 2HB GLU 13 -2.052 -9.118 -15.667 252 HG2 GLU 13 1HG GLU 13 -1.282 -9.523 -17.883 253 HG3 GLU 13 2HG GLU 13 -0.272 -10.887 -17.348 254 HE2 GLU 13 HE2 GLU 13 -1.963 -11.164 -19.215 255 H ALA 14 H ALA 14 -1.123 -6.658 -14.826 256 HA ALA 14 HA ALA 14 -0.882 -5.340 -17.379 257 HB1 ALA 14 3HB ALA 14 -1.132 -3.867 -14.721 258 HB2 ALA 14 1HB ALA 14 -1.764 -3.432 -16.335 259 HB3 ALA 14 2HB ALA 14 -2.504 -4.761 -15.412 260 H LEU 15 H LEU 15 1.038 -5.262 -14.353 261 HA LEU 15 HA LEU 15 2.958 -3.345 -15.111 262 HB2 LEU 15 1HB LEU 15 2.643 -4.128 -12.854 263 HB3 LEU 15 2HB LEU 15 3.075 -5.752 -13.283 264 HG LEU 15 HG LEU 15 5.370 -5.176 -13.614 265 HD11 LEU 15 1HD1 LEU 15 6.256 -2.949 -13.259 266 HD12 LEU 15 2HD1 LEU 15 4.628 -2.296 -13.085 267 HD13 LEU 15 3HD1 LEU 15 5.171 -2.951 -14.641 268 HD21 LEU 15 3HD2 LEU 15 4.642 -5.592 -11.307 269 HD22 LEU 15 1HD2 LEU 15 4.139 -3.881 -11.119 270 HD23 LEU 15 2HD2 LEU 15 5.877 -4.310 -11.301 271 H TYR 16 H TYR 16 2.818 -6.928 -15.636 272 HA TYR 16 HA TYR 16 5.410 -7.123 -16.818 273 HB2 TYR 16 1HB TYR 16 3.992 -9.003 -16.054 274 HB3 TYR 16 2HB TYR 16 2.910 -8.733 -17.388 275 HD1 TYR 16 HD2 TYR 16 6.610 -9.448 -16.873 276 HD2 TYR 16 HD1 TYR 16 3.088 -10.021 -19.303 277 HE1 TYR 16 HE2 TYR 16 7.909 -10.883 -18.450 278 HE2 TYR 16 HE1 TYR 16 4.344 -11.425 -20.834 279 HH TYR 16 HH TYR 16 6.309 -12.562 -21.222 280 H LEU 17 H LEU 17 2.194 -6.454 -18.223 281 HA LEU 17 HA LEU 17 3.014 -6.420 -20.931 282 HB2 LEU 17 1HB LEU 17 0.695 -5.131 -19.475 283 HB3 LEU 17 2HB LEU 17 0.902 -4.949 -21.209 284 HG LEU 17 HG LEU 17 0.719 -7.680 -19.829 285 HD11 LEU 17 1HD1 LEU 17 -1.714 -7.698 -20.765 286 HD12 LEU 17 2HD1 LEU 17 -1.564 -5.958 -20.902 287 HD13 LEU 17 3HD1 LEU 17 -1.416 -6.697 -19.298 288 HD21 LEU 17 3HD2 LEU 17 0.249 -6.826 -22.731 289 HD22 LEU 17 1HD2 LEU 17 0.119 -8.474 -22.106 290 HD23 LEU 17 2HD2 LEU 17 1.700 -7.659 -22.130 291 H VAL 18 H VAL 18 2.886 -3.715 -18.562 292 HA VAL 18 HA VAL 18 3.786 -1.868 -20.629 293 HB VAL 18 HB VAL 18 3.876 -0.159 -18.916 294 HG11 VAL 18 1HG1 VAL 18 1.512 -0.134 -18.168 295 HG12 VAL 18 2HG1 VAL 18 1.570 -0.833 -19.753 296 HG13 VAL 18 3HG1 VAL 18 1.362 -1.895 -18.357 297 HG21 VAL 18 3HG2 VAL 18 3.235 -2.233 -16.801 298 HG22 VAL 18 1HG2 VAL 18 4.855 -1.529 -17.076 299 HG23 VAL 18 2HG2 VAL 18 3.492 -0.503 -16.571 300 H CYS 19 H CYS 19 5.481 -3.838 -18.215 301 HA CYS 19 HA CYS 19 7.975 -2.384 -18.634 302 HB2 CYS 19 1HB CYS 19 7.001 -4.073 -16.687 303 HB3 CYS 19 2HB CYS 19 8.164 -5.098 -17.561 304 H GLY 20 H GLY 20 6.397 -5.116 -20.056 305 HA2 GLY 20 1HA GLY 20 7.080 -5.991 -22.184 306 HA3 GLY 20 2HA GLY 20 8.747 -5.351 -21.907 307 H GLU 21 H GLU 21 8.459 -7.829 -22.710 308 HA GLU 21 HA GLU 21 8.032 -9.903 -20.807 309 HB2 GLU 21 1HB GLU 21 9.576 -9.771 -23.399 310 HB3 GLU 21 2HB GLU 21 9.220 -11.307 -22.540 311 HG2 GLU 21 1HG GLU 21 6.753 -10.791 -22.695 312 HG3 GLU 21 2HG GLU 21 7.109 -9.402 -23.712 313 HE2 GLU 21 HE2 GLU 21 5.600 -11.311 -24.427 314 H ARG 22 H ARG 22 10.454 -7.663 -20.665 315 HA ARG 22 HA ARG 22 12.704 -9.254 -19.885 316 HB2 ARG 22 1HB ARG 22 12.093 -6.359 -19.295 317 HB3 ARG 22 2HB ARG 22 13.653 -7.143 -19.078 318 HG2 ARG 22 1HG ARG 22 14.056 -6.184 -21.149 319 HG3 ARG 22 2HG ARG 22 13.249 -7.636 -21.751 320 HD2 ARG 22 1HD ARG 22 11.530 -6.439 -22.443 321 HD3 ARG 22 2HD ARG 22 11.369 -5.506 -20.925 322 HE ARG 22 HE ARG 22 12.638 -3.816 -21.893 323 HH11 ARG 22 1HH1 ARG 22 12.783 -6.566 -24.055 324 HH12 ARG 22 2HH1 ARG 22 13.507 -5.600 -25.320 325 HH21 ARG 22 1HH2 ARG 22 13.503 -2.657 -23.482 326 HH22 ARG 22 2HH2 ARG 22 13.881 -3.333 -25.054 327 H GLY 23 H GLY 23 9.821 -8.019 -18.326 328 HA2 GLY 23 1HA GLY 23 9.053 -8.685 -16.199 329 HA3 GLY 23 2HA GLY 23 10.675 -9.248 -15.781 330 H PHE 24 H PHE 24 10.099 -7.916 -13.742 331 HA PHE 24 HA PHE 24 10.868 -5.017 -14.205 332 HB2 PHE 24 1HB PHE 24 8.925 -4.591 -12.524 333 HB3 PHE 24 2HB PHE 24 8.594 -4.705 -14.234 334 HD1 PHE 24 HD2 PHE 24 8.318 -6.474 -10.959 335 HD2 PHE 24 HD1 PHE 24 7.314 -6.573 -15.171 336 HE1 PHE 24 HE2 PHE 24 6.798 -8.391 -10.556 337 HE2 PHE 24 HE1 PHE 24 5.811 -8.489 -14.769 338 HZ PHE 24 HZ PHE 24 5.541 -9.431 -12.453 339 H PHE 25 H PHE 25 10.432 -7.630 -11.779 340 HA PHE 25 HA PHE 25 11.789 -5.968 -9.736 341 HB2 PHE 25 1HB PHE 25 9.621 -8.015 -9.699 342 HB3 PHE 25 2HB PHE 25 10.872 -8.125 -8.455 343 HD1 PHE 25 HD1 PHE 25 9.479 -4.959 -9.905 344 HD2 PHE 25 HD2 PHE 25 9.822 -7.502 -6.465 345 HE1 PHE 25 HE1 PHE 25 8.479 -3.171 -8.489 346 HE2 PHE 25 HE2 PHE 25 8.721 -5.731 -5.095 347 HZ PHE 25 HZ PHE 25 8.126 -3.541 -6.134 348 H TYR 26 H TYR 26 13.446 -6.671 -8.516 349 HA TYR 26 HA TYR 26 15.252 -8.608 -9.733 350 HB2 TYR 26 1HB TYR 26 16.117 -6.734 -8.500 351 HB3 TYR 26 2HB TYR 26 15.154 -7.166 -7.076 352 HD1 TYR 26 HD1 TYR 26 17.998 -8.323 -9.199 353 HD2 TYR 26 HD2 TYR 26 16.007 -8.638 -5.409 354 HE1 TYR 26 HE1 TYR 26 19.963 -9.677 -8.277 355 HE2 TYR 26 HE2 TYR 26 17.992 -9.958 -4.482 356 HH TYR 26 HH TYR 26 20.071 -10.776 -4.930 357 H THR 27 H THR 27 12.925 -8.682 -7.049 358 HA THR 27 HA THR 27 13.474 -11.640 -6.825 359 HB THR 27 HB THR 27 11.884 -9.858 -4.941 360 HG1 THR 27 HG1 THR 27 14.557 -10.727 -4.686 361 HG21 THR 27 1HG2 THR 27 11.285 -12.182 -4.644 362 HG22 THR 27 2HG2 THR 27 12.396 -11.730 -3.323 363 HG23 THR 27 3HG2 THR 27 13.005 -12.687 -4.705 364 H LYS 28 H LYS 28 11.991 -12.658 -8.156 365 HA LYS 28 HA LYS 28 9.250 -11.399 -8.213 366 HB2 LYS 28 1HB LYS 28 9.148 -11.801 -10.668 367 HB3 LYS 28 2HB LYS 28 10.457 -10.712 -10.236 368 HG2 LYS 28 1HG LYS 28 12.128 -12.484 -10.462 369 HG3 LYS 28 2HG LYS 28 10.851 -13.651 -10.798 370 HD2 LYS 28 1HD LYS 28 10.271 -12.348 -12.835 371 HD3 LYS 28 2HD LYS 28 11.561 -11.181 -12.409 372 HE2 LYS 28 1HE LYS 28 13.133 -13.163 -12.466 373 HE3 LYS 28 2HE LYS 28 11.874 -14.148 -13.193 374 HZ1 LYS 28 3HZ LYS 28 13.489 -13.173 -14.771 375 HZ2 LYS 28 1HZ LYS 28 12.974 -11.641 -14.345 376 HZ3 LYS 28 2HZ LYS 28 11.965 -12.706 -15.121 377 HA PRO 29 HA PRO 29 8.057 -15.583 -7.430 378 HB2 PRO 29 1HB PRO 29 5.429 -15.647 -8.170 379 HB3 PRO 29 2HB PRO 29 6.032 -14.630 -6.804 380 HG2 PRO 29 1HG PRO 29 5.559 -13.858 -9.755 381 HG3 PRO 29 2HG PRO 29 4.879 -13.111 -8.248 382 HD2 PRO 29 1HD PRO 29 7.062 -12.105 -9.473 383 HD3 PRO 29 2HD PRO 29 6.941 -12.119 -7.703 384 H THR 30 H THR 30 9.694 -16.016 -9.409 385 HA THR 30 HA THR 30 8.265 -17.053 -11.787 386 HB THR 30 HB THR 30 10.288 -15.613 -12.182 387 HG1 THR 30 HG1 THR 30 11.383 -17.379 -13.506 388 HG21 THR 30 1HG2 THR 30 11.676 -16.309 -10.236 389 HG22 THR 30 2HG2 THR 30 12.564 -16.617 -11.707 390 HG23 THR 30 3HG2 THR 30 11.842 -17.992 -10.789 391 HXT THR 30 H02 THR 30 8.990 -18.969 -12.534 Start of MODEL 30 1 H1 GLY 1 1H GLY 1 5.649 -0.627 -1.463 2 H2 GLY 1 2H GLY 1 5.483 -0.063 -2.978 3 HA2 GLY 1 1HA GLY 1 3.273 -0.377 -1.096 4 HA3 GLY 1 2HA GLY 1 4.063 1.185 -1.577 5 H ILE 2 H ILE 2 4.062 -1.178 -3.897 6 HA ILE 2 HA ILE 2 2.634 0.194 -5.819 7 HB ILE 2 HB ILE 2 3.011 -2.873 -5.820 8 HG12 ILE 2 1HG1 ILE 2 4.941 -0.667 -6.735 9 HG13 ILE 2 2HG1 ILE 2 5.126 -1.665 -5.327 10 HG21 ILE 2 1HG2 ILE 2 2.998 -1.030 -8.278 11 HG22 ILE 2 2HG2 ILE 2 2.751 -2.786 -8.218 12 HG23 ILE 2 3HG2 ILE 2 1.461 -1.678 -7.644 13 HD11 ILE 2 3HD1 ILE 2 5.259 -3.718 -6.783 14 HD12 ILE 2 1HD1 ILE 2 5.216 -2.654 -8.227 15 HD13 ILE 2 2HD1 ILE 2 6.548 -2.541 -7.086 16 H VAL 3 H VAL 3 1.435 -2.727 -4.044 17 HA VAL 3 HA VAL 3 -1.148 -2.423 -5.311 18 HB VAL 3 HB VAL 3 -1.899 -4.171 -3.677 19 HG11 VAL 3 1HG1 VAL 3 -0.564 -5.961 -4.600 20 HG12 VAL 3 2HG1 VAL 3 -0.895 -4.735 -5.827 21 HG13 VAL 3 3HG1 VAL 3 0.739 -4.797 -5.053 22 HG21 VAL 3 3HG2 VAL 3 0.963 -4.000 -2.528 23 HG22 VAL 3 1HG2 VAL 3 -0.613 -3.689 -1.680 24 HG23 VAL 3 2HG2 VAL 3 -0.199 -5.358 -2.248 25 H GLU 4 H GLU 4 0.255 -1.079 -2.473 26 HA GLU 4 HA GLU 4 -2.234 -0.659 -1.137 27 HB2 GLU 4 1HB GLU 4 0.320 0.950 -0.780 28 HB3 GLU 4 2HB GLU 4 -1.058 0.948 0.296 29 HG2 GLU 4 1HG GLU 4 0.783 -1.431 -0.235 30 HG3 GLU 4 2HG GLU 4 0.768 -0.417 1.218 31 HE2 GLU 4 HE2 GLU 4 -1.535 -0.217 1.932 32 H GLN 5 H GLN 5 -0.150 1.176 -3.323 33 HA GLN 5 HA GLN 5 -1.928 3.481 -3.229 34 HB2 GLN 5 1HB GLN 5 0.320 2.641 -5.071 35 HB3 GLN 5 2HB GLN 5 -0.562 4.164 -5.241 36 HG2 GLN 5 1HG GLN 5 0.153 4.923 -3.051 37 HG3 GLN 5 2HG GLN 5 1.003 3.356 -2.766 38 HE21 GLN 5 2HE2 GLN 5 1.054 6.419 -4.517 39 HE22 GLN 5 1HE2 GLN 5 2.730 6.272 -5.078 40 H CYS 6 H CYS 6 -1.414 0.839 -5.633 41 HA CYS 6 HA CYS 6 -3.428 2.077 -7.310 42 HB2 CYS 6 1HB CYS 6 -2.033 -0.549 -7.630 43 HB3 CYS 6 2HB CYS 6 -2.971 0.264 -8.873 44 H CYS 7 H CYS 7 -3.713 -0.293 -4.717 45 HA CYS 7 HA CYS 7 -6.054 -1.516 -6.022 46 HB2 CYS 7 1HB CYS 7 -4.551 -2.697 -4.428 47 HB3 CYS 7 2HB CYS 7 -5.204 -1.675 -3.162 48 H THR 8 H THR 8 -5.542 1.424 -4.397 49 HA THR 8 HA THR 8 -8.513 1.582 -3.772 50 HB THR 8 HB THR 8 -7.076 1.678 -1.746 51 HG1 THR 8 HG1 THR 8 -8.610 3.916 -2.494 52 HG21 THR 8 1HG2 THR 8 -5.158 2.945 -2.776 53 HG22 THR 8 2HG2 THR 8 -5.764 3.622 -1.266 54 HG23 THR 8 3HG2 THR 8 -6.190 4.387 -2.804 55 H SER 9 H SER 9 -6.101 2.668 -5.801 56 HA SER 9 HA SER 9 -7.648 5.031 -6.626 57 HB2 SER 9 1HB SER 9 -4.630 4.724 -6.961 58 HB3 SER 9 2HB SER 9 -5.605 6.183 -7.131 59 HG SER 9 HG SER 9 -4.688 4.894 -4.746 60 H ILE 10 H ILE 10 -6.792 5.495 -9.019 61 HA ILE 10 HA ILE 10 -6.655 2.834 -10.368 62 HB ILE 10 HB ILE 10 -7.765 5.432 -11.497 63 HG12 ILE 10 1HG1 ILE 10 -9.671 3.469 -11.628 64 HG13 ILE 10 2HG1 ILE 10 -8.954 3.159 -10.030 65 HG21 ILE 10 1HG2 ILE 10 -8.264 4.120 -13.463 66 HG22 ILE 10 2HG2 ILE 10 -6.595 3.785 -13.109 67 HG23 ILE 10 3HG2 ILE 10 -7.813 2.610 -12.652 68 HD11 ILE 10 3HD1 ILE 10 -10.663 4.655 -9.538 69 HD12 ILE 10 1HD1 ILE 10 -9.285 5.727 -9.685 70 HD13 ILE 10 2HD1 ILE 10 -10.443 5.591 -11.019 71 H CYS 11 H CYS 11 -4.581 2.417 -10.857 72 HA CYS 11 HA CYS 11 -2.781 4.763 -11.398 73 HB2 CYS 11 1HB CYS 11 -2.250 1.794 -11.026 74 HB3 CYS 11 2HB CYS 11 -1.044 3.006 -11.431 75 H SER 12 H SER 12 -3.071 5.433 -13.425 76 HA SER 12 HA SER 12 -3.504 3.808 -15.766 77 HB2 SER 12 1HB SER 12 -2.051 6.458 -15.510 78 HB3 SER 12 2HB SER 12 -2.669 5.724 -16.997 79 HG SER 12 HG SER 12 -3.984 7.350 -15.754 80 H LEU 13 H LEU 13 -1.943 3.114 -17.461 81 HA LEU 13 HA LEU 13 0.313 1.737 -16.298 82 HB2 LEU 13 1HB LEU 13 -0.526 2.156 -19.146 83 HB3 LEU 13 2HB LEU 13 1.176 1.713 -18.918 84 HG LEU 13 HG LEU 13 0.467 -0.142 -17.385 85 HD11 LEU 13 1HD1 LEU 13 -1.887 -0.985 -17.585 86 HD12 LEU 13 2HD1 LEU 13 -2.342 0.400 -18.580 87 HD13 LEU 13 3HD1 LEU 13 -1.977 0.626 -16.851 88 HD21 LEU 13 3HD2 LEU 13 -0.337 -1.590 -19.340 89 HD22 LEU 13 1HD2 LEU 13 1.128 -0.699 -19.695 90 HD23 LEU 13 2HD2 LEU 13 -0.471 -0.127 -20.377 91 H TYR 14 H TYR 14 0.150 5.055 -17.707 92 HA TYR 14 HA TYR 14 2.916 5.553 -17.870 93 HB2 TYR 14 1HB TYR 14 0.976 7.129 -18.569 94 HB3 TYR 14 2HB TYR 14 0.953 7.665 -16.906 95 HD1 TYR 14 HD2 TYR 14 3.103 7.181 -19.909 96 HD2 TYR 14 HD1 TYR 14 2.595 9.315 -16.216 97 HE1 TYR 14 HE2 TYR 14 5.409 8.193 -19.851 98 HE2 TYR 14 HE1 TYR 14 4.451 10.728 -16.673 99 HH TYR 14 HH TYR 14 6.382 11.043 -17.958 100 H GLN 15 H GLN 15 0.769 5.480 -15.091 101 HA GLN 15 HA GLN 15 2.767 6.638 -13.211 102 HB2 GLN 15 1HB GLN 15 0.004 5.305 -12.751 103 HB3 GLN 15 2HB GLN 15 1.000 6.059 -11.518 104 HG2 GLN 15 1HG GLN 15 0.714 8.266 -12.591 105 HG3 GLN 15 2HG GLN 15 -0.107 7.555 -13.970 106 HE21 GLN 15 2HE2 GLN 15 -0.510 9.114 -11.042 107 HE22 GLN 15 1HE2 GLN 15 -2.195 8.713 -10.770 108 H LEU 16 H LEU 16 1.361 3.443 -14.019 109 HA LEU 16 HA LEU 16 2.706 1.860 -12.083 110 HB2 LEU 16 1HB LEU 16 1.553 1.282 -14.796 111 HB3 LEU 16 2HB LEU 16 2.585 0.046 -14.067 112 HG LEU 16 HG LEU 16 0.410 1.238 -12.363 113 HD11 LEU 16 1HD1 LEU 16 -0.909 0.864 -14.362 114 HD12 LEU 16 2HD1 LEU 16 -1.208 -0.507 -13.262 115 HD13 LEU 16 3HD1 LEU 16 -0.108 -0.716 -14.670 116 HD21 LEU 16 3HD2 LEU 16 0.282 -0.962 -11.374 117 HD22 LEU 16 1HD2 LEU 16 2.012 -0.574 -11.545 118 HD23 LEU 16 2HD2 LEU 16 1.247 -1.682 -12.709 119 H GLU 17 H GLU 17 3.932 3.367 -15.045 120 HA GLU 17 HA GLU 17 6.382 1.847 -15.401 121 HB2 GLU 17 1HB GLU 17 5.689 4.754 -15.894 122 HB3 GLU 17 2HB GLU 17 7.328 4.138 -16.098 123 HG2 GLU 17 1HG GLU 17 6.167 2.296 -17.585 124 HG3 GLU 17 2HG GLU 17 4.775 3.379 -17.577 125 HE2 GLU 17 HE2 GLU 17 5.826 2.899 -19.845 126 H ASN 18 H ASN 18 5.441 4.121 -12.858 127 HA ASN 18 HA ASN 18 8.120 4.880 -12.067 128 HB2 ASN 18 1HB ASN 18 5.508 4.680 -10.511 129 HB3 ASN 18 2HB ASN 18 7.025 5.236 -9.817 130 HD21 ASN 18 2HD2 ASN 18 4.351 6.531 -10.633 131 HD22 ASN 18 1HD2 ASN 18 4.880 7.986 -11.392 132 H TYR 19 H TYR 19 6.270 1.878 -11.623 133 HA TYR 19 HA TYR 19 8.033 1.069 -9.360 134 HB2 TYR 19 1HB TYR 19 5.779 -0.414 -10.784 135 HB3 TYR 19 2HB TYR 19 6.602 -0.858 -9.266 136 HD1 TYR 19 HD2 TYR 19 6.641 1.224 -7.466 137 HD2 TYR 19 HD1 TYR 19 3.765 0.739 -10.628 138 HE1 TYR 19 HE2 TYR 19 5.000 2.560 -6.183 139 HE2 TYR 19 HE1 TYR 19 2.189 2.217 -9.403 140 HH TYR 19 HH TYR 19 2.893 3.440 -6.166 141 H CYS 20 H CYS 20 8.113 1.156 -12.674 142 HA CYS 20 HA CYS 20 9.927 -1.253 -12.970 143 HB2 CYS 20 1HB CYS 20 8.625 0.703 -14.889 144 HB3 CYS 20 2HB CYS 20 9.758 -0.537 -15.411 145 H ASN 21 H ASN 21 9.903 2.096 -12.410 146 HA ASN 21 HA ASN 21 12.633 2.436 -13.672 147 HB2 ASN 21 1HB ASN 21 10.917 4.082 -14.480 148 HB3 ASN 21 2HB ASN 21 10.594 4.608 -12.798 149 HD21 ASN 21 2HD2 ASN 21 11.487 6.446 -12.430 150 HD22 ASN 21 1HD2 ASN 21 13.089 6.911 -12.920 151 HXT ASN 21 H02 ASN 21 14.093 2.499 -10.761 152 H1 PHE 1 1H PHE 1 -2.440 2.696 -20.091 153 H2 PHE 1 2H PHE 1 -2.951 2.016 -18.699 154 HA PHE 1 HA PHE 1 -4.490 4.035 -20.176 155 HB2 PHE 1 1HB PHE 1 -5.255 1.150 -20.023 156 HB3 PHE 1 2HB PHE 1 -5.636 2.426 -21.188 157 HD1 PHE 1 HD2 PHE 1 -3.600 3.467 -22.695 158 HD2 PHE 1 HD1 PHE 1 -3.568 -0.508 -20.748 159 HE1 PHE 1 HE2 PHE 1 -1.941 2.587 -24.277 160 HE2 PHE 1 HE1 PHE 1 -1.940 -1.227 -22.360 161 HZ PHE 1 HZ PHE 1 -1.141 0.355 -24.086 162 H VAL 2 H VAL 2 -6.610 4.448 -19.504 163 HA VAL 2 HA VAL 2 -6.882 4.215 -16.620 164 HB VAL 2 HB VAL 2 -8.938 5.406 -18.654 165 HG11 VAL 2 1HG1 VAL 2 -9.982 4.770 -16.492 166 HG12 VAL 2 2HG1 VAL 2 -8.682 5.657 -15.574 167 HG13 VAL 2 3HG1 VAL 2 -9.846 6.548 -16.577 168 HG21 VAL 2 3HG2 VAL 2 -6.717 6.642 -18.639 169 HG22 VAL 2 1HG2 VAL 2 -8.113 7.584 -18.008 170 HG23 VAL 2 2HG2 VAL 2 -6.938 6.905 -16.877 171 H ASN 3 H ASN 3 -8.111 2.729 -15.487 172 HA ASN 3 HA ASN 3 -10.147 1.056 -16.839 173 HB2 ASN 3 1HB ASN 3 -7.708 -0.032 -16.977 174 HB3 ASN 3 2HB ASN 3 -7.983 -0.350 -15.255 175 HD21 ASN 3 2HD2 ASN 3 -8.582 -1.147 -18.514 176 HD22 ASN 3 1HD2 ASN 3 -9.688 -2.485 -18.260 177 H GLN 4 H GLN 4 -10.193 -0.785 -14.529 178 HA GLN 4 HA GLN 4 -11.075 1.089 -12.410 179 HB2 GLN 4 1HB GLN 4 -11.676 -1.650 -13.239 180 HB3 GLN 4 2HB GLN 4 -11.545 -1.428 -11.497 181 HG2 GLN 4 1HG GLN 4 -13.843 -0.997 -12.116 182 HG3 GLN 4 2HG GLN 4 -13.110 0.565 -11.692 183 HE21 GLN 4 2HE2 GLN 4 -13.828 2.141 -12.871 184 HE22 GLN 4 1HE2 GLN 4 -14.191 2.061 -14.590 185 H HIS 5 H HIS 5 -10.529 0.002 -10.092 186 HA HIS 5 HA HIS 5 -7.744 0.524 -9.761 187 HB2 HIS 5 1HB HIS 5 -9.304 -1.145 -7.765 188 HB3 HIS 5 2HB HIS 5 -7.998 0.038 -7.508 189 HD1 HIS 5 HD1 HIS 5 -8.614 2.542 -7.427 190 HD2 HIS 5 HD2 HIS 5 -11.900 0.006 -8.021 191 HE1 HIS 5 HE1 HIS 5 -10.714 3.904 -6.917 192 HE2 HIS 5 H01 HIS 5 -12.674 2.376 -7.432 193 H LEU 6 H LEU 6 -9.438 -2.616 -9.597 194 HA LEU 6 HA LEU 6 -8.769 -4.727 -9.566 195 HB2 LEU 6 1HB LEU 6 -6.173 -3.749 -10.877 196 HB3 LEU 6 2HB LEU 6 -6.801 -5.393 -10.841 197 HG LEU 6 HG LEU 6 -8.028 -3.113 -12.433 198 HD11 LEU 6 1HD1 LEU 6 -6.916 -4.036 -14.303 199 HD12 LEU 6 2HD1 LEU 6 -6.392 -5.455 -13.351 200 HD13 LEU 6 3HD1 LEU 6 -5.691 -3.866 -13.010 201 HD21 LEU 6 3HD2 LEU 6 -8.738 -6.117 -12.331 202 HD22 LEU 6 1HD2 LEU 6 -9.214 -5.061 -13.650 203 HD23 LEU 6 2HD2 LEU 6 -9.800 -4.763 -12.000 204 H CYS 7 H CYS 7 -6.419 -6.035 -8.829 205 HA CYS 7 HA CYS 7 -5.118 -4.815 -6.555 206 HB2 CYS 7 1HB CYS 7 -7.721 -5.260 -5.845 207 HB3 CYS 7 2HB CYS 7 -7.034 -6.846 -5.489 208 H AIB 8 H AIB 8 -6.681 -7.869 -7.459 209 HB11 AIB 8 1HB1 AIB 8 -7.053 -10.025 -6.997 210 HB12 AIB 8 3HB1 AIB 8 -5.968 -11.342 -7.326 211 HB13 AIB 8 1HB2 AIB 8 -6.571 -10.424 -8.677 212 HB21 AIB 8 3HB2 AIB 8 -3.193 -9.271 -6.387 213 HB22 AIB 8 2HB1 AIB 8 -4.075 -10.770 -6.248 214 HB23 AIB 8 2HB2 AIB 8 -4.660 -9.372 -5.315 215 H SER 9 H SER 9 -4.377 -11.330 -8.788 216 HA SER 9 HA SER 9 -1.953 -10.936 -10.042 217 HB2 SER 9 1HB SER 9 -3.170 -13.077 -9.878 218 HB3 SER 9 2HB SER 9 -4.263 -12.611 -11.186 219 HG SER 9 HG SER 9 -1.543 -13.330 -11.321 220 H HIS 10 H HIS 10 -5.038 -9.855 -11.356 221 HA HIS 10 HA HIS 10 -4.227 -9.242 -13.973 222 HB2 HIS 10 1HB HIS 10 -6.066 -7.371 -12.411 223 HB3 HIS 10 2HB HIS 10 -6.172 -7.898 -14.127 224 HD1 HIS 10 HD1 HIS 10 -6.558 -10.799 -14.215 225 HD2 HIS 10 HD2 HIS 10 -7.987 -8.630 -10.874 226 HE1 HIS 10 HE1 HIS 10 -8.312 -12.250 -13.072 227 HE2 HIS 10 H01 HIS 10 -9.120 -10.947 -11.050 228 H LEU 11 H LEU 11 -3.623 -7.568 -10.933 229 HA LEU 11 HA LEU 11 -2.901 -4.986 -12.120 230 HB2 LEU 11 1HB LEU 11 -3.876 -5.419 -9.805 231 HB3 LEU 11 2HB LEU 11 -2.339 -6.136 -9.373 232 HG LEU 11 HG LEU 11 -2.564 -3.238 -10.282 233 HD11 LEU 11 1HD1 LEU 11 -2.452 -2.694 -7.789 234 HD12 LEU 11 2HD1 LEU 11 -2.856 -4.407 -7.464 235 HD13 LEU 11 3HD1 LEU 11 -4.023 -3.368 -8.344 236 HD21 LEU 11 3HD2 LEU 11 -0.478 -3.006 -8.994 237 HD22 LEU 11 1HD2 LEU 11 -0.312 -4.262 -10.276 238 HD23 LEU 11 2HD2 LEU 11 -0.547 -4.757 -8.554 239 H VAL 12 H VAL 12 -1.287 -7.827 -10.761 240 HA VAL 12 HA VAL 12 1.421 -7.085 -11.281 241 HB VAL 12 HB VAL 12 0.103 -9.862 -11.285 242 HG11 VAL 12 1HG1 VAL 12 2.310 -9.906 -12.214 243 HG12 VAL 12 2HG1 VAL 12 2.945 -8.969 -10.854 244 HG13 VAL 12 3HG1 VAL 12 2.369 -10.614 -10.594 245 HG21 VAL 12 3HG2 VAL 12 -0.532 -8.937 -9.231 246 HG22 VAL 12 1HG2 VAL 12 0.969 -9.832 -8.872 247 HG23 VAL 12 2HG2 VAL 12 1.009 -8.053 -9.043 248 H GLU 13 H GLU 13 -1.095 -8.680 -13.369 249 HA GLU 13 HA GLU 13 0.681 -9.142 -15.569 250 HB2 GLU 13 1HB GLU 13 -1.710 -10.111 -15.358 251 HB3 GLU 13 2HB GLU 13 -2.337 -8.553 -15.756 252 HG2 GLU 13 1HG GLU 13 -2.308 -9.770 -17.835 253 HG3 GLU 13 2HG GLU 13 -0.836 -8.793 -17.937 254 HE2 GLU 13 HE2 GLU 13 1.023 -11.539 -18.526 255 H ALA 14 H ALA 14 -1.399 -6.263 -14.688 256 HA ALA 14 HA ALA 14 -0.784 -4.897 -17.190 257 HB1 ALA 14 3HB ALA 14 -1.295 -2.843 -15.660 258 HB2 ALA 14 1HB ALA 14 -2.587 -4.028 -15.862 259 HB3 ALA 14 2HB ALA 14 -1.619 -4.027 -14.357 260 H LEU 15 H LEU 15 0.879 -5.199 -14.023 261 HA LEU 15 HA LEU 15 2.922 -3.247 -14.566 262 HB2 LEU 15 1HB LEU 15 2.280 -4.165 -12.343 263 HB3 LEU 15 2HB LEU 15 3.014 -5.687 -12.824 264 HG LEU 15 HG LEU 15 5.219 -4.668 -12.859 265 HD11 LEU 15 1HD1 LEU 15 4.764 -2.370 -13.594 266 HD12 LEU 15 2HD1 LEU 15 5.607 -2.357 -12.051 267 HD13 LEU 15 3HD1 LEU 15 3.837 -2.057 -12.117 268 HD21 LEU 15 3HD2 LEU 15 4.363 -5.527 -10.687 269 HD22 LEU 15 1HD2 LEU 15 3.640 -3.965 -10.323 270 HD23 LEU 15 2HD2 LEU 15 5.377 -4.143 -10.409 271 H TYR 16 H TYR 16 2.764 -6.752 -15.129 272 HA TYR 16 HA TYR 16 5.345 -7.127 -16.230 273 HB2 TYR 16 1HB TYR 16 4.032 -9.102 -15.619 274 HB3 TYR 16 2HB TYR 16 2.695 -8.499 -16.569 275 HD1 TYR 16 HD2 TYR 16 6.129 -9.959 -16.888 276 HD2 TYR 16 HD1 TYR 16 2.375 -9.040 -18.814 277 HE1 TYR 16 HE2 TYR 16 6.846 -11.248 -18.915 278 HE2 TYR 16 HE1 TYR 16 3.146 -10.223 -20.879 279 HH TYR 16 HH TYR 16 6.277 -11.831 -21.125 280 H LEU 17 H LEU 17 2.238 -6.238 -17.787 281 HA LEU 17 HA LEU 17 3.189 -6.290 -20.461 282 HB2 LEU 17 1HB LEU 17 0.900 -4.762 -19.096 283 HB3 LEU 17 2HB LEU 17 1.254 -4.631 -20.830 284 HG LEU 17 HG LEU 17 0.733 -7.238 -19.429 285 HD11 LEU 17 1HD1 LEU 17 -1.222 -5.678 -19.392 286 HD12 LEU 17 2HD1 LEU 17 -1.512 -7.211 -20.261 287 HD13 LEU 17 3HD1 LEU 17 -1.211 -5.715 -21.160 288 HD21 LEU 17 3HD2 LEU 17 0.432 -8.220 -21.565 289 HD22 LEU 17 1HD2 LEU 17 2.006 -7.394 -21.560 290 HD23 LEU 17 2HD2 LEU 17 0.613 -6.669 -22.370 291 H VAL 18 H VAL 18 3.103 -3.617 -18.017 292 HA VAL 18 HA VAL 18 4.266 -1.866 -20.098 293 HB VAL 18 HB VAL 18 2.720 -1.086 -18.265 294 HG11 VAL 18 1HG1 VAL 18 3.734 -2.162 -16.309 295 HG12 VAL 18 2HG1 VAL 18 5.220 -1.229 -16.506 296 HG13 VAL 18 3HG1 VAL 18 3.683 -0.467 -16.060 297 HG21 VAL 18 3HG2 VAL 18 3.727 1.074 -18.090 298 HG22 VAL 18 1HG2 VAL 18 5.306 0.454 -18.529 299 HG23 VAL 18 2HG2 VAL 18 4.003 0.438 -19.680 300 H CYS 19 H CYS 19 5.611 -3.896 -17.518 301 HA CYS 19 HA CYS 19 8.181 -2.562 -17.663 302 HB2 CYS 19 1HB CYS 19 6.980 -4.482 -15.912 303 HB3 CYS 19 2HB CYS 19 8.550 -5.137 -16.463 304 H GLY 20 H GLY 20 6.680 -5.399 -19.099 305 HA2 GLY 20 1HA GLY 20 7.471 -6.683 -20.893 306 HA3 GLY 20 2HA GLY 20 9.010 -5.831 -20.860 307 H GLU 21 H GLU 21 9.699 -8.224 -21.093 308 HA GLU 21 HA GLU 21 9.461 -10.054 -18.909 309 HB2 GLU 21 1HB GLU 21 11.575 -9.833 -21.100 310 HB3 GLU 21 2HB GLU 21 11.435 -11.155 -19.966 311 HG2 GLU 21 1HG GLU 21 9.166 -11.603 -20.844 312 HG3 GLU 21 2HG GLU 21 9.354 -10.250 -21.955 313 HE2 GLU 21 HE2 GLU 21 10.168 -13.371 -21.353 314 H ARG 22 H ARG 22 11.099 -7.165 -18.715 315 HA ARG 22 HA ARG 22 13.627 -7.968 -17.516 316 HB2 ARG 22 1HB ARG 22 12.164 -5.370 -17.520 317 HB3 ARG 22 2HB ARG 22 13.847 -5.562 -17.000 318 HG2 ARG 22 1HG ARG 22 14.513 -5.241 -19.076 319 HG3 ARG 22 2HG ARG 22 13.671 -6.772 -19.578 320 HD2 ARG 22 1HD ARG 22 11.562 -5.476 -19.831 321 HD3 ARG 22 2HD ARG 22 12.394 -3.966 -19.453 322 HE ARG 22 HE ARG 22 13.749 -4.983 -21.595 323 HH11 ARG 22 1HH1 ARG 22 10.386 -4.143 -20.970 324 HH12 ARG 22 2HH1 ARG 22 10.089 -3.826 -22.645 325 HH21 ARG 22 1HH2 ARG 22 13.249 -4.509 -23.710 326 HH22 ARG 22 2HH2 ARG 22 11.654 -3.993 -24.157 327 H GLY 23 H GLY 23 10.498 -7.739 -16.148 328 HA2 GLY 23 1HA GLY 23 9.998 -8.544 -14.009 329 HA3 GLY 23 2HA GLY 23 11.707 -8.443 -13.506 330 H PHE 24 H PHE 24 10.062 -7.540 -11.649 331 HA PHE 24 HA PHE 24 10.251 -4.566 -11.629 332 HB2 PHE 24 1HB PHE 24 7.706 -4.499 -11.229 333 HB3 PHE 24 2HB PHE 24 8.283 -4.658 -12.882 334 HD1 PHE 24 HD2 PHE 24 6.890 -6.664 -9.983 335 HD2 PHE 24 HD1 PHE 24 7.604 -6.424 -14.298 336 HE1 PHE 24 HE2 PHE 24 5.495 -8.650 -10.343 337 HE2 PHE 24 HE1 PHE 24 6.182 -8.389 -14.626 338 HZ PHE 24 HZ PHE 24 5.073 -9.546 -12.686 339 H PHE 25 H PHE 25 9.211 -3.728 -9.590 340 HA PHE 25 HA PHE 25 10.380 -5.099 -7.386 341 HB2 PHE 25 1HB PHE 25 9.195 -2.554 -7.912 342 HB3 PHE 25 2HB PHE 25 8.488 -3.170 -6.438 343 HD1 PHE 25 HD2 PHE 25 9.894 -3.611 -4.430 344 HD2 PHE 25 HD1 PHE 25 11.528 -1.872 -7.961 345 HE1 PHE 25 HE2 PHE 25 11.923 -2.916 -3.130 346 HE2 PHE 25 HE1 PHE 25 13.488 -1.098 -6.738 347 HZ PHE 25 HZ PHE 25 13.706 -1.543 -4.291 348 H TYR 26 H TYR 26 9.193 -5.329 -5.235 349 HA TYR 26 HA TYR 26 7.908 -6.692 -3.973 350 HB2 TYR 26 1HB TYR 26 6.245 -4.967 -4.532 351 HB3 TYR 26 2HB TYR 26 5.666 -5.971 -5.878 352 HD1 TYR 26 HD1 TYR 26 6.242 -6.201 -2.157 353 HD2 TYR 26 HD2 TYR 26 3.931 -7.446 -5.550 354 HE1 TYR 26 HE1 TYR 26 4.754 -7.430 -0.648 355 HE2 TYR 26 HE2 TYR 26 2.457 -8.749 -4.033 356 HH TYR 26 HH TYR 26 1.922 -9.250 -1.827 357 H THR 27 H THR 27 9.319 -8.380 -4.970 358 HA THR 27 HA THR 27 7.656 -10.548 -6.160 359 HB THR 27 HB THR 27 9.492 -9.752 -7.599 360 HG1 THR 27 HG1 THR 27 10.289 -11.784 -8.088 361 HG21 THR 27 1HG2 THR 27 11.819 -10.022 -6.978 362 HG22 THR 27 2HG2 THR 27 11.365 -10.732 -5.408 363 HG23 THR 27 3HG2 THR 27 11.060 -8.985 -5.769 364 H LYS 28 H LYS 28 7.604 -9.680 -3.425 365 HA LYS 28 HA LYS 28 9.248 -11.651 -1.920 366 HB2 LYS 28 1HB LYS 28 7.401 -9.386 -1.217 367 HB3 LYS 28 2HB LYS 28 7.569 -10.719 -0.069 368 HG2 LYS 28 1HG LYS 28 9.995 -9.372 -1.194 369 HG3 LYS 28 2HG LYS 28 9.102 -8.600 0.097 370 HD2 LYS 28 1HD LYS 28 10.013 -11.468 0.371 371 HD3 LYS 28 2HD LYS 28 11.037 -10.114 0.789 372 HE2 LYS 28 1HE LYS 28 9.481 -9.277 2.522 373 HE3 LYS 28 2HE LYS 28 8.251 -10.506 2.000 374 HZ1 LYS 28 3HZ LYS 28 10.941 -10.980 3.249 375 HZ2 LYS 28 1HZ LYS 28 10.020 -12.190 2.603 376 HZ3 LYS 28 2HZ LYS 28 9.471 -11.293 3.927 377 HA PRO 29 HA PRO 29 5.615 -14.315 -2.214 378 HB2 PRO 29 1HB PRO 29 6.589 -16.669 -1.263 379 HB3 PRO 29 2HB PRO 29 7.029 -16.086 -2.913 380 HG2 PRO 29 1HG PRO 29 8.559 -15.786 -0.312 381 HG3 PRO 29 2HG PRO 29 9.168 -16.384 -1.889 382 HD2 PRO 29 1HD PRO 29 9.495 -13.804 -1.027 383 HD3 PRO 29 2HD PRO 29 9.305 -14.174 -2.772 384 H THR 30 H THR 30 3.981 -14.090 -0.857 385 HA THR 30 HA THR 30 4.611 -14.086 2.084 386 HB THR 30 HB THR 30 3.976 -11.797 1.307 387 HG1 THR 30 HG1 THR 30 3.120 -12.860 3.221 388 HG21 THR 30 1HG2 THR 30 2.647 -12.631 -0.777 389 HG22 THR 30 2HG2 THR 30 1.775 -11.406 0.108 390 HG23 THR 30 3HG2 THR 30 1.365 -13.098 0.291 391 HXT THR 30 H02 THR 30 1.938 -16.528 1.205 Start of MODEL 31 1 H1 GLY 1 1H GLY 1 2.574 0.658 1.025 2 H2 GLY 1 2H GLY 1 1.118 1.149 0.401 3 HA2 GLY 1 1HA GLY 1 3.145 2.456 -0.067 4 HA3 GLY 1 2HA GLY 1 3.549 1.197 -1.271 5 H ILE 2 H ILE 2 3.569 2.854 -2.896 6 HA ILE 2 HA ILE 2 1.191 4.373 -3.544 7 HB ILE 2 HB ILE 2 3.331 3.340 -5.487 8 HG12 ILE 2 1HG1 ILE 2 3.440 5.868 -3.775 9 HG13 ILE 2 2HG1 ILE 2 4.348 4.372 -3.515 10 HG21 ILE 2 1HG2 ILE 2 1.682 5.933 -5.605 11 HG22 ILE 2 2HG2 ILE 2 2.768 5.335 -6.852 12 HG23 ILE 2 3HG2 ILE 2 1.292 4.468 -6.518 13 HD11 ILE 2 3HD1 ILE 2 4.697 6.257 -5.910 14 HD12 ILE 2 1HD1 ILE 2 5.848 5.861 -4.598 15 HD13 ILE 2 2HD1 ILE 2 5.380 4.599 -5.801 16 H VAL 3 H VAL 3 2.288 1.084 -4.268 17 HA VAL 3 HA VAL 3 0.373 0.526 -6.332 18 HB VAL 3 HB VAL 3 2.571 -0.653 -5.907 19 HG11 VAL 3 1HG1 VAL 3 2.228 -1.042 -3.463 20 HG12 VAL 3 2HG1 VAL 3 1.134 -2.365 -3.909 21 HG13 VAL 3 3HG1 VAL 3 2.837 -2.403 -4.393 22 HG21 VAL 3 3HG2 VAL 3 0.031 -2.332 -6.185 23 HG22 VAL 3 1HG2 VAL 3 0.895 -1.478 -7.469 24 HG23 VAL 3 2HG2 VAL 3 1.652 -2.858 -6.676 25 H GLU 4 H GLU 4 0.274 0.256 -2.787 26 HA GLU 4 HA GLU 4 -2.214 -1.200 -2.829 27 HB2 GLU 4 1HB GLU 4 -0.432 -1.093 -0.934 28 HB3 GLU 4 2HB GLU 4 -1.154 0.497 -0.523 29 HG2 GLU 4 1HG GLU 4 -2.194 -0.937 0.910 30 HG3 GLU 4 2HG GLU 4 -3.368 -0.704 -0.407 31 HE2 GLU 4 HE2 GLU 4 -1.394 -4.112 -0.413 32 H GLN 5 H GLN 5 -1.261 2.237 -2.572 33 HA GLN 5 HA GLN 5 -3.901 3.312 -2.285 34 HB2 GLN 5 1HB GLN 5 -1.404 4.408 -3.631 35 HB3 GLN 5 2HB GLN 5 -2.904 5.296 -3.572 36 HG2 GLN 5 1HG GLN 5 -1.323 4.408 -1.096 37 HG3 GLN 5 2HG GLN 5 -1.364 6.035 -1.807 38 HE21 GLN 5 2HE2 GLN 5 -2.491 4.645 0.778 39 HE22 GLN 5 1HE2 GLN 5 -4.000 5.477 0.930 40 H CYS 6 H CYS 6 -1.986 2.236 -5.164 41 HA CYS 6 HA CYS 6 -4.016 3.145 -6.992 42 HB2 CYS 6 1HB CYS 6 -2.539 2.655 -8.552 43 HB3 CYS 6 2HB CYS 6 -1.449 2.191 -7.250 44 H CYS 7 H CYS 7 -3.604 0.056 -5.220 45 HA CYS 7 HA CYS 7 -5.635 -1.322 -6.714 46 HB2 CYS 7 1HB CYS 7 -3.836 -2.421 -5.323 47 HB3 CYS 7 2HB CYS 7 -4.739 -1.993 -3.870 48 H THR 8 H THR 8 -5.681 0.511 -3.666 49 HA THR 8 HA THR 8 -8.500 0.000 -3.210 50 HB THR 8 HB THR 8 -6.625 0.719 -1.528 51 HG1 THR 8 HG1 THR 8 -9.208 1.829 -1.425 52 HG21 THR 8 1HG2 THR 8 -6.633 3.000 -0.913 53 HG22 THR 8 2HG2 THR 8 -7.811 3.407 -2.172 54 HG23 THR 8 3HG2 THR 8 -6.159 2.885 -2.609 55 H SER 9 H SER 9 -6.921 2.074 -5.383 56 HA SER 9 HA SER 9 -9.401 3.692 -5.779 57 HB2 SER 9 1HB SER 9 -6.630 4.594 -6.618 58 HB3 SER 9 2HB SER 9 -8.103 5.561 -6.324 59 HG SER 9 HG SER 9 -6.468 4.319 -4.438 60 H ILE 10 H ILE 10 -7.856 4.435 -8.434 61 HA ILE 10 HA ILE 10 -8.083 1.761 -9.802 62 HB ILE 10 HB ILE 10 -8.850 4.499 -10.906 63 HG12 ILE 10 1HG1 ILE 10 -10.571 3.727 -9.327 64 HG13 ILE 10 2HG1 ILE 10 -11.147 3.856 -11.017 65 HG21 ILE 10 1HG2 ILE 10 -9.743 3.000 -12.852 66 HG22 ILE 10 2HG2 ILE 10 -7.988 3.221 -12.713 67 HG23 ILE 10 3HG2 ILE 10 -8.716 1.704 -12.144 68 HD11 ILE 10 3HD1 ILE 10 -10.257 1.208 -9.641 69 HD12 ILE 10 1HD1 ILE 10 -11.927 1.774 -9.586 70 HD13 ILE 10 2HD1 ILE 10 -11.196 1.377 -11.148 71 H CYS 11 H CYS 11 -6.147 1.325 -10.662 72 HA CYS 11 HA CYS 11 -3.923 3.083 -10.279 73 HB2 CYS 11 1HB CYS 11 -4.035 0.558 -11.925 74 HB3 CYS 11 2HB CYS 11 -2.614 1.227 -11.122 75 H SER 12 H SER 12 -2.264 3.544 -11.990 76 HA SER 12 HA SER 12 -3.560 3.936 -14.680 77 HB2 SER 12 1HB SER 12 -1.907 6.047 -13.209 78 HB3 SER 12 2HB SER 12 -2.484 6.136 -14.888 79 HG SER 12 HG SER 12 -4.625 5.603 -13.501 80 H LEU 13 H LEU 13 -1.954 3.918 -16.397 81 HA LEU 13 HA LEU 13 0.111 2.006 -16.055 82 HB2 LEU 13 1HB LEU 13 -0.243 3.838 -18.420 83 HB3 LEU 13 2HB LEU 13 0.761 2.287 -18.423 84 HG LEU 13 HG LEU 13 -2.178 2.256 -17.720 85 HD11 LEU 13 1HD1 LEU 13 -2.620 1.305 -20.089 86 HD12 LEU 13 2HD1 LEU 13 -0.975 1.825 -20.518 87 HD13 LEU 13 3HD1 LEU 13 -2.171 3.028 -20.079 88 HD21 LEU 13 3HD2 LEU 13 -0.351 0.057 -18.596 89 HD22 LEU 13 1HD2 LEU 13 -2.062 -0.059 -18.225 90 HD23 LEU 13 2HD2 LEU 13 -0.913 0.291 -16.928 91 H TYR 14 H TYR 14 0.287 5.508 -16.087 92 HA TYR 14 HA TYR 14 3.141 5.567 -16.168 93 HB2 TYR 14 1HB TYR 14 1.819 7.534 -16.734 94 HB3 TYR 14 2HB TYR 14 1.150 7.567 -15.118 95 HD1 TYR 14 HD2 TYR 14 4.456 7.727 -16.862 96 HD2 TYR 14 HD1 TYR 14 2.273 8.574 -13.365 97 HE1 TYR 14 HE2 TYR 14 6.408 8.177 -15.398 98 HE2 TYR 14 HE1 TYR 14 4.087 9.824 -12.464 99 HH TYR 14 HH TYR 14 6.146 11.051 -13.155 100 H GLN 15 H GLN 15 0.884 5.324 -13.422 101 HA GLN 15 HA GLN 15 2.950 5.491 -11.425 102 HB2 GLN 15 1HB GLN 15 0.478 3.786 -11.212 103 HB3 GLN 15 2HB GLN 15 1.391 4.526 -9.891 104 HG2 GLN 15 1HG GLN 15 0.633 6.756 -10.524 105 HG3 GLN 15 2HG GLN 15 -0.300 6.038 -11.852 106 HE21 GLN 15 2HE2 GLN 15 -0.739 7.287 -8.878 107 HE22 GLN 15 1HE2 GLN 15 -2.160 6.330 -8.347 108 H LEU 16 H LEU 16 1.389 2.798 -13.161 109 HA LEU 16 HA LEU 16 2.715 0.703 -11.904 110 HB2 LEU 16 1HB LEU 16 1.314 1.110 -14.394 111 HB3 LEU 16 2HB LEU 16 2.550 -0.155 -14.474 112 HG LEU 16 HG LEU 16 1.524 -1.257 -12.471 113 HD11 LEU 16 1HD1 LEU 16 -0.836 -0.735 -11.885 114 HD12 LEU 16 2HD1 LEU 16 -0.803 0.620 -13.017 115 HD13 LEU 16 3HD1 LEU 16 0.197 0.672 -11.541 116 HD21 LEU 16 3HD2 LEU 16 1.164 -2.071 -14.695 117 HD22 LEU 16 1HD2 LEU 16 -0.033 -0.792 -15.026 118 HD23 LEU 16 2HD2 LEU 16 -0.414 -2.090 -13.875 119 H GLU 17 H GLU 17 4.057 2.658 -14.574 120 HA GLU 17 HA GLU 17 6.429 1.165 -15.119 121 HB2 GLU 17 1HB GLU 17 5.942 4.137 -15.023 122 HB3 GLU 17 2HB GLU 17 7.426 3.427 -15.501 123 HG2 GLU 17 1HG GLU 17 6.524 2.484 -17.540 124 HG3 GLU 17 2HG GLU 17 4.846 2.760 -16.967 125 HE2 GLU 17 HE2 GLU 17 6.564 5.375 -19.122 126 H ASN 18 H ASN 18 5.628 3.136 -12.261 127 HA ASN 18 HA ASN 18 8.437 3.501 -11.584 128 HB2 ASN 18 1HB ASN 18 5.862 3.919 -9.966 129 HB3 ASN 18 2HB ASN 18 7.482 4.310 -9.391 130 HD21 ASN 18 2HD2 ASN 18 5.314 6.232 -9.766 131 HD22 ASN 18 1HD2 ASN 18 5.856 7.355 -10.988 132 H TYR 19 H TYR 19 6.244 0.915 -11.309 133 HA TYR 19 HA TYR 19 7.558 -0.279 -8.964 134 HB2 TYR 19 1HB TYR 19 5.450 -1.553 -10.785 135 HB3 TYR 19 2HB TYR 19 5.902 -2.039 -9.110 136 HD1 TYR 19 HD2 TYR 19 5.840 0.569 -7.658 137 HD2 TYR 19 HD1 TYR 19 3.120 -0.970 -10.625 138 HE1 TYR 19 HE2 TYR 19 4.059 2.128 -6.828 139 HE2 TYR 19 HE1 TYR 19 1.368 0.491 -9.701 140 HH TYR 19 HH TYR 19 1.896 2.751 -7.047 141 H CYS 20 H CYS 20 8.217 0.151 -12.120 142 HA CYS 20 HA CYS 20 9.779 -2.429 -12.312 143 HB2 CYS 20 1HB CYS 20 8.722 -0.603 -14.477 144 HB3 CYS 20 2HB CYS 20 9.741 -1.994 -14.777 145 H ASN 21 H ASN 21 10.089 0.751 -11.474 146 HA ASN 21 HA ASN 21 12.093 1.597 -13.425 147 HB2 ASN 21 1HB ASN 21 12.214 3.704 -12.141 148 HB3 ASN 21 2HB ASN 21 10.540 3.248 -12.128 149 HD21 ASN 21 2HD2 ASN 21 11.044 5.053 -10.312 150 HD22 ASN 21 1HD2 ASN 21 11.213 4.365 -8.753 151 HXT ASN 21 H02 ASN 21 14.102 1.904 -13.044 152 H1 PHE 1 1H PHE 1 -7.871 0.030 -23.580 153 H2 PHE 1 2H PHE 1 -6.353 0.634 -23.821 154 HA PHE 1 HA PHE 1 -6.440 -0.896 -21.890 155 HB2 PHE 1 1HB PHE 1 -5.698 2.109 -21.570 156 HB3 PHE 1 2HB PHE 1 -5.228 0.885 -20.405 157 HD1 PHE 1 HD1 PHE 1 -3.506 -0.877 -21.025 158 HD2 PHE 1 HD2 PHE 1 -4.668 2.243 -23.783 159 HE1 PHE 1 HE1 PHE 1 -1.557 -1.396 -22.410 160 HE2 PHE 1 HE2 PHE 1 -2.650 1.796 -25.127 161 HZ PHE 1 HZ PHE 1 -1.073 0.008 -24.424 162 H VAL 2 H VAL 2 -7.779 -1.736 -20.611 163 HA VAL 2 HA VAL 2 -9.705 0.083 -19.198 164 HB VAL 2 HB VAL 2 -9.749 -2.941 -19.708 165 HG11 VAL 2 1HG1 VAL 2 -11.800 -3.074 -18.567 166 HG12 VAL 2 2HG1 VAL 2 -10.744 -2.203 -17.475 167 HG13 VAL 2 3HG1 VAL 2 -11.973 -1.324 -18.409 168 HG21 VAL 2 3HG2 VAL 2 -11.210 -0.562 -20.935 169 HG22 VAL 2 1HG2 VAL 2 -10.395 -1.934 -21.748 170 HG23 VAL 2 2HG2 VAL 2 -11.941 -2.192 -20.938 171 H ASN 3 H ASN 3 -9.378 0.535 -17.098 172 HA ASN 3 HA ASN 3 -7.522 -1.227 -15.548 173 HB2 ASN 3 1HB ASN 3 -6.721 1.201 -16.421 174 HB3 ASN 3 2HB ASN 3 -7.658 1.770 -15.023 175 HD21 ASN 3 2HD2 ASN 3 -7.244 0.332 -12.916 176 HD22 ASN 3 1HD2 ASN 3 -5.512 0.134 -12.609 177 H GLN 4 H GLN 4 -8.231 -1.927 -13.631 178 HA GLN 4 HA GLN 4 -10.415 -0.408 -12.292 179 HB2 GLN 4 1HB GLN 4 -11.040 -2.706 -13.525 180 HB3 GLN 4 2HB GLN 4 -10.368 -3.445 -12.069 181 HG2 GLN 4 1HG GLN 4 -12.031 -2.016 -10.796 182 HG3 GLN 4 2HG GLN 4 -12.641 -1.363 -12.304 183 HE21 GLN 4 2HE2 GLN 4 -13.923 -2.685 -13.661 184 HE22 GLN 4 1HE2 GLN 4 -14.608 -4.176 -13.035 185 H HIS 5 H HIS 5 -10.325 -2.581 -10.133 186 HA HIS 5 HA HIS 5 -8.190 -1.328 -8.560 187 HB2 HIS 5 1HB HIS 5 -9.989 -3.699 -7.942 188 HB3 HIS 5 2HB HIS 5 -8.987 -2.867 -6.744 189 HD1 HIS 5 HD1 HIS 5 -9.647 -0.053 -6.711 190 HD2 HIS 5 HD2 HIS 5 -12.583 -2.836 -7.752 191 HE1 HIS 5 HE1 HIS 5 -11.910 1.027 -6.239 192 HE2 HIS 5 H01 HIS 5 -13.649 -0.628 -6.937 193 H LEU 6 H LEU 6 -6.427 -2.040 -9.995 194 HA LEU 6 HA LEU 6 -5.914 -4.846 -10.493 195 HB2 LEU 6 1HB LEU 6 -4.105 -2.462 -10.554 196 HB3 LEU 6 2HB LEU 6 -3.622 -4.078 -10.988 197 HG LEU 6 HG LEU 6 -5.715 -2.425 -12.489 198 HD11 LEU 6 1HD1 LEU 6 -3.864 -2.255 -14.190 199 HD12 LEU 6 2HD1 LEU 6 -2.751 -3.114 -13.074 200 HD13 LEU 6 3HD1 LEU 6 -3.424 -1.509 -12.628 201 HD21 LEU 6 3HD2 LEU 6 -4.360 -5.090 -13.250 202 HD22 LEU 6 1HD2 LEU 6 -5.528 -4.166 -14.228 203 HD23 LEU 6 2HD2 LEU 6 -6.042 -4.919 -12.684 204 H CYS 7 H CYS 7 -5.244 -6.311 -9.167 205 HA CYS 7 HA CYS 7 -3.177 -5.822 -7.117 206 HB2 CYS 7 1HB CYS 7 -6.137 -6.127 -6.526 207 HB3 CYS 7 2HB CYS 7 -5.103 -7.377 -5.799 208 H AIB 8 H AIB 8 -2.959 -8.244 -6.245 209 HB11 AIB 8 1HB1 AIB 8 -4.001 -11.913 -6.968 210 HB12 AIB 8 3HB1 AIB 8 -4.776 -10.870 -8.112 211 HB13 AIB 8 1HB2 AIB 8 -4.834 -10.449 -6.416 212 HB21 AIB 8 3HB2 AIB 8 -1.567 -11.620 -6.614 213 HB22 AIB 8 2HB1 AIB 8 -2.256 -10.613 -5.370 214 HB23 AIB 8 2HB2 AIB 8 -0.946 -9.967 -6.356 215 H SER 9 H SER 9 -3.250 -12.026 -9.095 216 HA SER 9 HA SER 9 -0.937 -11.818 -10.772 217 HB2 SER 9 1HB SER 9 -2.312 -13.891 -10.536 218 HB3 SER 9 2HB SER 9 -3.663 -13.058 -11.401 219 HG SER 9 HG SER 9 -2.369 -14.415 -12.753 220 H HIS 10 H HIS 10 -4.172 -10.251 -10.966 221 HA HIS 10 HA HIS 10 -3.953 -9.433 -13.719 222 HB2 HIS 10 1HB HIS 10 -5.402 -8.141 -11.362 223 HB3 HIS 10 2HB HIS 10 -5.550 -7.605 -13.058 224 HD1 HIS 10 HD1 HIS 10 -6.576 -9.423 -14.827 225 HD2 HIS 10 HD2 HIS 10 -7.118 -10.090 -10.695 226 HE1 HIS 10 HE1 HIS 10 -8.441 -11.226 -14.510 227 HE2 HIS 10 H01 HIS 10 -8.799 -11.532 -12.069 228 H LEU 11 H LEU 11 -2.739 -7.895 -10.725 229 HA LEU 11 HA LEU 11 -1.803 -5.569 -12.113 230 HB2 LEU 11 1HB LEU 11 -2.185 -5.655 -9.636 231 HB3 LEU 11 2HB LEU 11 -0.758 -6.673 -9.488 232 HG LEU 11 HG LEU 11 -0.156 -4.382 -11.166 233 HD11 LEU 11 1HD1 LEU 11 -0.273 -2.597 -9.526 234 HD12 LEU 11 2HD1 LEU 11 -1.068 -3.668 -8.341 235 HD13 LEU 11 3HD1 LEU 11 -1.895 -3.213 -9.841 236 HD21 LEU 11 3HD2 LEU 11 1.508 -5.768 -10.135 237 HD22 LEU 11 1HD2 LEU 11 0.850 -5.445 -8.498 238 HD23 LEU 11 2HD2 LEU 11 1.608 -4.137 -9.436 239 H VAL 12 H VAL 12 -0.424 -8.769 -11.333 240 HA VAL 12 HA VAL 12 2.259 -8.223 -12.137 241 HB VAL 12 HB VAL 12 0.611 -10.809 -12.137 242 HG11 VAL 12 1HG1 VAL 12 3.576 -10.499 -12.648 243 HG12 VAL 12 2HG1 VAL 12 2.834 -12.003 -12.087 244 HG13 VAL 12 3HG1 VAL 12 2.349 -11.333 -13.657 245 HG21 VAL 12 3HG2 VAL 12 1.736 -11.329 -10.065 246 HG22 VAL 12 1HG2 VAL 12 2.693 -9.832 -10.179 247 HG23 VAL 12 2HG2 VAL 12 0.938 -9.754 -9.941 248 H GLU 13 H GLU 13 -0.566 -9.488 -13.944 249 HA GLU 13 HA GLU 13 0.721 -9.826 -16.459 250 HB2 GLU 13 1HB GLU 13 -1.919 -9.977 -15.356 251 HB3 GLU 13 2HB GLU 13 -2.016 -9.018 -16.827 252 HG2 GLU 13 1HG GLU 13 -2.417 -11.280 -17.522 253 HG3 GLU 13 2HG GLU 13 -0.730 -10.907 -17.936 254 HE2 GLU 13 HE2 GLU 13 -2.728 -12.204 -15.639 255 H ALA 14 H ALA 14 -1.012 -6.982 -15.050 256 HA ALA 14 HA ALA 14 -0.722 -5.354 -17.334 257 HB1 ALA 14 3HB ALA 14 -1.111 -4.698 -14.416 258 HB2 ALA 14 1HB ALA 14 -1.013 -3.432 -15.676 259 HB3 ALA 14 2HB ALA 14 -2.322 -4.633 -15.708 260 H LEU 15 H LEU 15 1.421 -5.660 -14.369 261 HA LEU 15 HA LEU 15 3.366 -3.808 -15.340 262 HB2 LEU 15 1HB LEU 15 3.652 -6.351 -13.706 263 HB3 LEU 15 2HB LEU 15 4.950 -5.202 -14.011 264 HG LEU 15 HG LEU 15 2.397 -4.560 -12.479 265 HD11 LEU 15 1HD1 LEU 15 3.642 -6.262 -11.363 266 HD12 LEU 15 2HD1 LEU 15 4.036 -4.740 -10.524 267 HD13 LEU 15 3HD1 LEU 15 5.189 -5.440 -11.673 268 HD21 LEU 15 3HD2 LEU 15 5.037 -3.029 -12.566 269 HD22 LEU 15 1HD2 LEU 15 3.622 -2.596 -11.629 270 HD23 LEU 15 2HD2 LEU 15 3.560 -2.516 -13.399 271 H TYR 16 H TYR 16 3.107 -7.367 -16.069 272 HA TYR 16 HA TYR 16 5.385 -7.562 -17.735 273 HB2 TYR 16 1HB TYR 16 4.142 -9.493 -17.066 274 HB3 TYR 16 2HB TYR 16 2.719 -8.960 -17.988 275 HD1 TYR 16 HD1 TYR 16 6.333 -9.715 -18.463 276 HD2 TYR 16 HD2 TYR 16 2.370 -9.801 -20.118 277 HE1 TYR 16 HE1 TYR 16 7.234 -10.812 -20.434 278 HE2 TYR 16 HE2 TYR 16 3.183 -10.940 -22.101 279 HH TYR 16 HH TYR 16 6.675 -11.695 -22.581 280 H LEU 17 H LEU 17 2.006 -6.630 -18.636 281 HA LEU 17 HA LEU 17 2.663 -6.370 -21.418 282 HB2 LEU 17 1HB LEU 17 0.444 -5.271 -19.668 283 HB3 LEU 17 2HB LEU 17 0.507 -4.993 -21.399 284 HG LEU 17 HG LEU 17 0.327 -7.735 -20.051 285 HD11 LEU 17 1HD1 LEU 17 -1.648 -6.413 -19.519 286 HD12 LEU 17 2HD1 LEU 17 -2.118 -7.619 -20.750 287 HD13 LEU 17 3HD1 LEU 17 -1.868 -5.933 -21.219 288 HD21 LEU 17 3HD2 LEU 17 0.088 -6.893 -22.964 289 HD22 LEU 17 1HD2 LEU 17 -0.600 -8.421 -22.354 290 HD23 LEU 17 2HD2 LEU 17 1.119 -8.136 -22.237 291 H VAL 18 H VAL 18 2.695 -3.928 -18.712 292 HA VAL 18 HA VAL 18 3.295 -1.868 -20.693 293 HB VAL 18 HB VAL 18 1.803 -1.565 -18.725 294 HG11 VAL 18 1HG1 VAL 18 4.388 -1.330 -17.185 295 HG12 VAL 18 2HG1 VAL 18 2.793 -0.922 -16.564 296 HG13 VAL 18 3HG1 VAL 18 3.146 -2.594 -16.976 297 HG21 VAL 18 3HG2 VAL 18 2.518 0.336 -20.026 298 HG22 VAL 18 1HG2 VAL 18 2.463 0.769 -18.325 299 HG23 VAL 18 2HG2 VAL 18 4.039 0.402 -19.087 300 H CYS 19 H CYS 19 5.285 -3.735 -18.368 301 HA CYS 19 HA CYS 19 7.636 -2.050 -19.051 302 HB2 CYS 19 1HB CYS 19 7.342 -4.257 -17.008 303 HB3 CYS 19 2HB CYS 19 8.716 -3.163 -17.165 304 H GLY 20 H GLY 20 6.347 -5.392 -19.491 305 HA2 GLY 20 1HA GLY 20 7.300 -7.195 -20.681 306 HA3 GLY 20 2HA GLY 20 8.602 -6.129 -21.207 307 H GLU 21 H GLU 21 9.589 -8.546 -20.463 308 HA GLU 21 HA GLU 21 10.233 -8.694 -17.677 309 HB2 GLU 21 1HB GLU 21 11.437 -10.042 -20.106 310 HB3 GLU 21 2HB GLU 21 11.896 -10.442 -18.417 311 HG2 GLU 21 1HG GLU 21 9.341 -10.881 -18.016 312 HG3 GLU 21 2HG GLU 21 9.217 -10.808 -19.798 313 HE2 GLU 21 HE2 GLU 21 9.546 -14.185 -18.984 314 H ARG 22 H ARG 22 11.088 -6.285 -19.604 315 HA ARG 22 HA ARG 22 13.941 -6.043 -19.018 316 HB2 ARG 22 1HB ARG 22 11.950 -4.034 -20.144 317 HB3 ARG 22 2HB ARG 22 13.635 -3.661 -19.852 318 HG2 ARG 22 1HG ARG 22 13.765 -4.090 -22.065 319 HG3 ARG 22 2HG ARG 22 14.147 -5.677 -21.390 320 HD2 ARG 22 1HD ARG 22 12.630 -5.918 -23.341 321 HD3 ARG 22 2HD ARG 22 11.866 -6.543 -21.859 322 HE ARG 22 HE ARG 22 11.067 -3.834 -22.134 323 HH11 ARG 22 1HH1 ARG 22 10.405 -6.932 -23.762 324 HH12 ARG 22 2HH1 ARG 22 8.853 -6.415 -24.400 325 HH21 ARG 22 1HH2 ARG 22 9.116 -3.193 -22.985 326 HH22 ARG 22 2HH2 ARG 22 8.185 -4.300 -23.955 327 H GLY 23 H GLY 23 10.913 -5.321 -17.526 328 HA2 GLY 23 1HA GLY 23 12.176 -3.476 -15.509 329 HA3 GLY 23 2HA GLY 23 10.442 -3.701 -15.810 330 H PHE 24 H PHE 24 9.439 -4.761 -14.160 331 HA PHE 24 HA PHE 24 11.009 -5.853 -12.085 332 HB2 PHE 24 1HB PHE 24 9.000 -6.226 -10.981 333 HB3 PHE 24 2HB PHE 24 8.518 -4.991 -12.159 334 HD1 PHE 24 HD1 PHE 24 7.789 -6.104 -14.576 335 HD2 PHE 24 HD2 PHE 24 7.487 -7.893 -10.685 336 HE1 PHE 24 HE1 PHE 24 5.966 -7.597 -15.397 337 HE2 PHE 24 HE2 PHE 24 5.649 -9.386 -11.442 338 HZ PHE 24 HZ PHE 24 4.885 -9.237 -13.853 339 H PHE 25 H PHE 25 10.799 -8.006 -11.067 340 HA PHE 25 HA PHE 25 9.827 -10.187 -12.802 341 HB2 PHE 25 1HB PHE 25 12.624 -9.898 -11.786 342 HB3 PHE 25 2HB PHE 25 11.871 -11.405 -11.402 343 HD1 PHE 25 HD1 PHE 25 12.905 -9.175 -14.107 344 HD2 PHE 25 HD2 PHE 25 11.484 -13.045 -13.104 345 HE1 PHE 25 HE1 PHE 25 13.431 -10.006 -16.480 346 HE2 PHE 25 HE2 PHE 25 12.067 -13.933 -15.311 347 HZ PHE 25 HZ PHE 25 13.102 -12.369 -17.034 348 H TYR 26 H TYR 26 9.192 -12.018 -11.393 349 HA TYR 26 HA TYR 26 7.886 -11.057 -9.007 350 HB2 TYR 26 1HB TYR 26 7.451 -13.082 -10.803 351 HB3 TYR 26 2HB TYR 26 8.103 -14.012 -9.456 352 HD1 TYR 26 HD1 TYR 26 6.814 -11.837 -7.383 353 HD2 TYR 26 HD2 TYR 26 5.281 -14.164 -10.697 354 HE1 TYR 26 HE1 TYR 26 4.546 -11.798 -6.354 355 HE2 TYR 26 HE2 TYR 26 2.944 -14.074 -9.689 356 HH TYR 26 HH TYR 26 1.661 -13.116 -7.878 357 H THR 27 H THR 27 10.935 -11.210 -8.952 358 HA THR 27 HA THR 27 12.645 -12.107 -7.656 359 HB THR 27 HB THR 27 12.118 -10.068 -6.663 360 HG1 THR 27 HG1 THR 27 12.403 -12.071 -4.633 361 HG21 THR 27 1HG2 THR 27 9.707 -10.423 -6.297 362 HG22 THR 27 2HG2 THR 27 10.519 -9.783 -4.857 363 HG23 THR 27 3HG2 THR 27 10.091 -11.511 -4.925 364 H LYS 28 H LYS 28 11.682 -14.499 -8.208 365 HA LYS 28 HA LYS 28 10.546 -15.897 -6.017 366 HB2 LYS 28 1HB LYS 28 12.344 -17.076 -8.114 367 HB3 LYS 28 2HB LYS 28 11.126 -17.956 -7.163 368 HG2 LYS 28 1HG LYS 28 9.315 -16.727 -8.393 369 HG3 LYS 28 2HG LYS 28 10.586 -15.752 -9.208 370 HD2 LYS 28 1HD LYS 28 11.529 -17.838 -10.123 371 HD3 LYS 28 2HD LYS 28 10.132 -18.715 -9.416 372 HE2 LYS 28 1HE LYS 28 9.630 -18.317 -11.776 373 HE3 LYS 28 2HE LYS 28 8.601 -17.302 -10.720 374 HZ1 LYS 28 3HZ LYS 28 9.574 -16.193 -12.742 375 HZ2 LYS 28 1HZ LYS 28 11.023 -16.246 -11.991 376 HZ3 LYS 28 2HZ LYS 28 9.798 -15.387 -11.306 377 HA PRO 29 HA PRO 29 14.295 -16.288 -3.622 378 HB2 PRO 29 1HB PRO 29 13.339 -17.505 -1.366 379 HB3 PRO 29 2HB PRO 29 13.006 -15.784 -1.783 380 HG2 PRO 29 1HG PRO 29 11.266 -18.243 -2.199 381 HG3 PRO 29 2HG PRO 29 10.874 -16.646 -1.472 382 HD2 PRO 29 1HD PRO 29 10.396 -17.353 -4.116 383 HD3 PRO 29 2HD PRO 29 10.589 -15.659 -3.590 384 H THR 30 H THR 30 15.274 -17.820 -5.171 385 HA THR 30 HA THR 30 15.600 -20.538 -4.058 386 HB THR 30 HB THR 30 13.698 -20.972 -5.456 387 HG1 THR 30 HG1 THR 30 14.681 -22.692 -6.366 388 HG21 THR 30 1HG2 THR 30 15.340 -20.031 -7.859 389 HG22 THR 30 2HG2 THR 30 13.948 -19.132 -7.168 390 HG23 THR 30 3HG2 THR 30 13.710 -20.706 -7.902 391 HXT THR 30 H02 THR 30 17.347 -21.369 -4.463 Start of MODEL 32 1 H1 GLY 1 1H GLY 1 2.647 3.213 -0.179 2 H2 GLY 1 2H GLY 1 1.532 2.201 -0.854 3 HA2 GLY 1 1HA GLY 1 2.607 4.606 -2.270 4 HA3 GLY 1 2HA GLY 1 3.279 3.020 -2.466 5 H ILE 2 H ILE 2 3.019 3.311 -4.642 6 HA ILE 2 HA ILE 2 0.565 3.925 -5.940 7 HB ILE 2 HB ILE 2 2.920 2.223 -6.935 8 HG12 ILE 2 1HG1 ILE 2 2.361 5.151 -7.599 9 HG13 ILE 2 2HG1 ILE 2 3.263 4.727 -6.151 10 HG21 ILE 2 1HG2 ILE 2 2.144 2.801 -9.204 11 HG22 ILE 2 2HG2 ILE 2 1.014 1.768 -8.356 12 HG23 ILE 2 3HG2 ILE 2 0.635 3.487 -8.510 13 HD11 ILE 2 3HD1 ILE 2 4.083 4.115 -8.982 14 HD12 ILE 2 1HD1 ILE 2 4.891 5.221 -7.818 15 HD13 ILE 2 2HD1 ILE 2 4.881 3.415 -7.557 16 H VAL 3 H VAL 3 2.047 0.790 -4.980 17 HA VAL 3 HA VAL 3 -0.004 -0.725 -6.396 18 HB VAL 3 HB VAL 3 2.252 -1.734 -5.837 19 HG11 VAL 3 1HG1 VAL 3 2.717 -0.884 -3.516 20 HG12 VAL 3 2HG1 VAL 3 1.335 -1.795 -2.886 21 HG13 VAL 3 3HG1 VAL 3 2.755 -2.673 -3.513 22 HG21 VAL 3 3HG2 VAL 3 1.514 -3.925 -5.247 23 HG22 VAL 3 1HG2 VAL 3 0.012 -3.270 -4.553 24 HG23 VAL 3 2HG2 VAL 3 0.310 -3.146 -6.319 25 H GLU 4 H GLU 4 0.381 0.353 -3.014 26 HA GLU 4 HA GLU 4 -2.004 -0.917 -2.054 27 HB2 GLU 4 1HB GLU 4 -0.096 0.124 -0.704 28 HB3 GLU 4 2HB GLU 4 -0.827 1.695 -1.069 29 HG2 GLU 4 1HG GLU 4 -2.916 0.991 -0.029 30 HG3 GLU 4 2HG GLU 4 -2.283 -0.602 0.340 31 HE2 GLU 4 HE2 GLU 4 -3.096 1.968 1.724 32 H GLN 5 H GLN 5 -1.375 2.270 -3.657 33 HA GLN 5 HA GLN 5 -4.066 3.224 -3.358 34 HB2 GLN 5 1HB GLN 5 -2.021 4.505 -3.974 35 HB3 GLN 5 2HB GLN 5 -2.070 3.810 -5.637 36 HG2 GLN 5 1HG GLN 5 -4.376 4.829 -5.863 37 HG3 GLN 5 2HG GLN 5 -4.118 5.656 -4.321 38 HE21 GLN 5 2HE2 GLN 5 -2.954 7.490 -4.211 39 HE22 GLN 5 1HE2 GLN 5 -2.136 8.173 -5.620 40 H CYS 6 H CYS 6 -2.470 1.169 -5.937 41 HA CYS 6 HA CYS 6 -4.799 1.100 -7.660 42 HB2 CYS 6 1HB CYS 6 -2.144 0.150 -7.503 43 HB3 CYS 6 2HB CYS 6 -3.106 -1.301 -7.757 44 H CYS 7 H CYS 7 -3.903 -0.797 -4.762 45 HA CYS 7 HA CYS 7 -5.943 -2.828 -5.239 46 HB2 CYS 7 1HB CYS 7 -4.540 -1.866 -2.717 47 HB3 CYS 7 2HB CYS 7 -5.597 -3.274 -2.778 48 H THR 8 H THR 8 -5.784 0.061 -2.963 49 HA THR 8 HA THR 8 -8.595 -0.447 -2.241 50 HB THR 8 HB THR 8 -6.747 0.564 -0.755 51 HG1 THR 8 HG1 THR 8 -9.037 0.764 -0.255 52 HG21 THR 8 1HG2 THR 8 -6.349 2.951 -0.829 53 HG22 THR 8 2HG2 THR 8 -7.408 3.113 -2.234 54 HG23 THR 8 3HG2 THR 8 -5.892 2.239 -2.375 55 H SER 9 H SER 9 -7.128 1.454 -4.757 56 HA SER 9 HA SER 9 -9.782 2.546 -5.523 57 HB2 SER 9 1HB SER 9 -8.855 4.700 -6.068 58 HB3 SER 9 2HB SER 9 -8.529 4.312 -4.367 59 HG SER 9 HG SER 9 -6.379 3.521 -5.290 60 H ILE 10 H ILE 10 -7.844 4.005 -7.689 61 HA ILE 10 HA ILE 10 -8.092 1.725 -9.556 62 HB ILE 10 HB ILE 10 -8.306 4.694 -10.257 63 HG12 ILE 10 1HG1 ILE 10 -10.217 4.051 -8.928 64 HG13 ILE 10 2HG1 ILE 10 -10.723 4.327 -10.585 65 HG21 ILE 10 1HG2 ILE 10 -7.484 3.354 -12.127 66 HG22 ILE 10 2HG2 ILE 10 -8.878 2.267 -11.960 67 HG23 ILE 10 3HG2 ILE 10 -9.150 3.984 -12.434 68 HD11 ILE 10 3HD1 ILE 10 -11.703 2.308 -9.195 69 HD12 ILE 10 1HD1 ILE 10 -11.330 2.127 -10.925 70 HD13 ILE 10 2HD1 ILE 10 -10.217 1.468 -9.724 71 H CYS 11 H CYS 11 -6.042 4.693 -9.020 72 HA CYS 11 HA CYS 11 -3.902 5.148 -9.741 73 HB2 CYS 11 1HB CYS 11 -2.454 3.862 -8.635 74 HB3 CYS 11 2HB CYS 11 -3.763 2.749 -8.323 75 H SER 12 H SER 12 -2.004 4.317 -11.326 76 HA SER 12 HA SER 12 -3.355 3.523 -13.887 77 HB2 SER 12 1HB SER 12 -1.620 5.949 -13.413 78 HB3 SER 12 2HB SER 12 -2.035 5.350 -14.952 79 HG SER 12 HG SER 12 -4.315 5.484 -13.806 80 H LEU 13 H LEU 13 -2.139 2.567 -15.526 81 HA LEU 13 HA LEU 13 0.159 1.098 -14.859 82 HB2 LEU 13 1HB LEU 13 -1.071 1.999 -17.521 83 HB3 LEU 13 2HB LEU 13 0.474 1.089 -17.452 84 HG LEU 13 HG LEU 13 -0.833 -0.558 -15.825 85 HD11 LEU 13 1HD1 LEU 13 -2.991 0.920 -15.806 86 HD12 LEU 13 2HD1 LEU 13 -3.174 -0.768 -16.248 87 HD13 LEU 13 3HD1 LEU 13 -3.165 0.500 -17.527 88 HD21 LEU 13 3HD2 LEU 13 -0.023 -1.330 -17.943 89 HD22 LEU 13 1HD2 LEU 13 -1.143 -0.403 -18.854 90 HD23 LEU 13 2HD2 LEU 13 -1.673 -1.817 -17.963 91 H TYR 14 H TYR 14 -0.024 4.441 -16.279 92 HA TYR 14 HA TYR 14 2.699 4.840 -16.762 93 HB2 TYR 14 1HB TYR 14 0.724 6.305 -17.129 94 HB3 TYR 14 2HB TYR 14 0.852 6.793 -15.445 95 HD1 TYR 14 HD2 TYR 14 2.570 6.738 -18.612 96 HD2 TYR 14 HD1 TYR 14 2.605 8.334 -14.635 97 HE1 TYR 14 HE2 TYR 14 4.969 7.715 -18.692 98 HE2 TYR 14 HE1 TYR 14 4.322 9.919 -15.212 99 HH TYR 14 HH TYR 14 5.398 11.044 -17.109 100 H GLN 15 H GLN 15 1.079 4.763 -13.609 101 HA GLN 15 HA GLN 15 3.426 5.712 -12.147 102 HB2 GLN 15 1HB GLN 15 0.910 4.270 -11.114 103 HB3 GLN 15 2HB GLN 15 2.166 4.999 -10.118 104 HG2 GLN 15 1HG GLN 15 1.622 7.184 -10.746 105 HG3 GLN 15 2HG GLN 15 0.510 6.604 -12.023 106 HE21 GLN 15 2HE2 GLN 15 0.873 6.735 -8.460 107 HE22 GLN 15 1HE2 GLN 15 -0.860 6.426 -8.171 108 H LEU 16 H LEU 16 1.741 2.634 -12.907 109 HA LEU 16 HA LEU 16 3.450 1.055 -11.251 110 HB2 LEU 16 1HB LEU 16 2.258 0.233 -13.885 111 HB3 LEU 16 2HB LEU 16 3.043 -0.802 -12.713 112 HG LEU 16 HG LEU 16 0.493 0.805 -12.260 113 HD11 LEU 16 1HD1 LEU 16 1.045 -2.123 -12.845 114 HD12 LEU 16 2HD1 LEU 16 -0.139 -0.968 -13.590 115 HD13 LEU 16 3HD1 LEU 16 -0.401 -1.599 -11.929 116 HD21 LEU 16 3HD2 LEU 16 2.020 -1.143 -10.386 117 HD22 LEU 16 1HD2 LEU 16 0.379 -0.532 -10.088 118 HD23 LEU 16 2HD2 LEU 16 1.748 0.595 -10.134 119 H GLU 17 H GLU 17 4.285 2.697 -14.262 120 HA GLU 17 HA GLU 17 6.569 1.219 -15.096 121 HB2 GLU 17 1HB GLU 17 6.094 4.236 -14.968 122 HB3 GLU 17 2HB GLU 17 7.490 3.482 -15.767 123 HG2 GLU 17 1HG GLU 17 6.054 2.380 -17.276 124 HG3 GLU 17 2HG GLU 17 4.594 3.042 -16.506 125 HE2 GLU 17 HE2 GLU 17 7.017 5.518 -18.523 126 H ASN 18 H ASN 18 6.181 3.188 -12.169 127 HA ASN 18 HA ASN 18 8.919 3.745 -11.732 128 HB2 ASN 18 1HB ASN 18 6.498 3.452 -9.900 129 HB3 ASN 18 2HB ASN 18 8.107 3.809 -9.278 130 HD21 ASN 18 2HD2 ASN 18 5.460 5.093 -11.024 131 HD22 ASN 18 1HD2 ASN 18 6.102 6.727 -11.176 132 H TYR 19 H TYR 19 7.067 0.783 -11.371 133 HA TYR 19 HA TYR 19 9.082 -0.388 -9.585 134 HB2 TYR 19 1HB TYR 19 6.681 -1.614 -11.024 135 HB3 TYR 19 2HB TYR 19 7.719 -2.444 -9.804 136 HD1 TYR 19 HD2 TYR 19 7.848 -1.351 -7.483 137 HD2 TYR 19 HD1 TYR 19 4.796 -0.432 -10.300 138 HE1 TYR 19 HE2 TYR 19 6.401 -0.531 -5.602 139 HE2 TYR 19 HE1 TYR 19 3.324 0.466 -8.459 140 HH TYR 19 HH TYR 19 4.484 0.349 -4.989 141 H CYS 20 H CYS 20 9.261 0.255 -12.861 142 HA CYS 20 HA CYS 20 10.893 -2.206 -13.354 143 HB2 CYS 20 1HB CYS 20 8.387 -2.039 -14.327 144 HB3 CYS 20 2HB CYS 20 9.244 -1.137 -15.549 145 H ASN 21 H ASN 21 12.016 -1.920 -15.577 146 HA ASN 21 HA ASN 21 13.646 0.454 -15.568 147 HB2 ASN 21 1HB ASN 21 13.339 -2.016 -17.363 148 HB3 ASN 21 2HB ASN 21 14.144 -0.611 -17.949 149 HD21 ASN 21 2HD2 ASN 21 15.009 -3.410 -16.844 150 HD22 ASN 21 1HD2 ASN 21 16.382 -2.937 -15.835 151 HXT ASN 21 H02 ASN 21 12.186 2.389 -17.994 152 H1 PHE 1 1H PHE 1 -5.059 4.410 -21.155 153 H2 PHE 1 2H PHE 1 -6.190 5.164 -20.310 154 HA PHE 1 HA PHE 1 -6.544 2.322 -20.823 155 HB2 PHE 1 1HB PHE 1 -4.885 3.555 -18.582 156 HB3 PHE 1 2HB PHE 1 -5.327 1.908 -18.682 157 HD1 PHE 1 HD1 PHE 1 -3.224 4.487 -20.531 158 HD2 PHE 1 HD2 PHE 1 -4.033 0.390 -19.844 159 HE1 PHE 1 HE1 PHE 1 -1.227 3.929 -21.796 160 HE2 PHE 1 HE2 PHE 1 -2.033 -0.234 -21.156 161 HZ PHE 1 HZ PHE 1 -0.600 1.518 -22.141 162 H VAL 2 H VAL 2 -8.640 2.003 -20.438 163 HA VAL 2 HA VAL 2 -9.931 3.203 -18.089 164 HB VAL 2 HB VAL 2 -10.799 0.916 -19.980 165 HG11 VAL 2 1HG1 VAL 2 -13.025 1.115 -18.975 166 HG12 VAL 2 2HG1 VAL 2 -11.837 0.664 -17.757 167 HG13 VAL 2 3HG1 VAL 2 -12.413 2.339 -17.833 168 HG21 VAL 2 3HG2 VAL 2 -12.352 2.619 -20.977 169 HG22 VAL 2 1HG2 VAL 2 -11.684 3.834 -19.807 170 HG23 VAL 2 2HG2 VAL 2 -10.651 3.129 -21.074 171 H ASN 3 H ASN 3 -9.474 2.370 -16.021 172 HA ASN 3 HA ASN 3 -8.451 -0.448 -15.773 173 HB2 ASN 3 1HB ASN 3 -6.648 1.468 -15.706 174 HB3 ASN 3 2HB ASN 3 -7.376 1.886 -14.147 175 HD21 ASN 3 2HD2 ASN 3 -6.118 1.074 -12.538 176 HD22 ASN 3 1HD2 ASN 3 -5.361 -0.524 -12.581 177 H GLN 4 H GLN 4 -8.606 -1.298 -13.580 178 HA GLN 4 HA GLN 4 -10.821 -0.101 -11.954 179 HB2 GLN 4 1HB GLN 4 -10.640 -2.833 -13.189 180 HB3 GLN 4 2HB GLN 4 -11.347 -2.671 -11.586 181 HG2 GLN 4 1HG GLN 4 -12.824 -0.900 -12.558 182 HG3 GLN 4 2HG GLN 4 -12.398 -1.491 -14.148 183 HE21 GLN 4 2HE2 GLN 4 -14.693 -1.710 -11.933 184 HE22 GLN 4 1HE2 GLN 4 -15.194 -3.366 -12.127 185 H HIS 5 H HIS 5 -10.693 -1.810 -9.820 186 HA HIS 5 HA HIS 5 -8.224 -1.164 -8.562 187 HB2 HIS 5 1HB HIS 5 -10.160 -3.392 -8.003 188 HB3 HIS 5 2HB HIS 5 -8.921 -2.866 -6.847 189 HD1 HIS 5 HD1 HIS 5 -9.447 -0.872 -5.385 190 HD2 HIS 5 HD2 HIS 5 -12.330 -1.511 -8.387 191 HE1 HIS 5 HE1 HIS 5 -11.416 0.676 -4.864 192 HE2 HIS 5 H01 HIS 5 -13.159 0.271 -6.685 193 H LEU 6 H LEU 6 -6.262 -2.099 -8.522 194 HA LEU 6 HA LEU 6 -6.070 -4.893 -9.616 195 HB2 LEU 6 1HB LEU 6 -4.141 -2.613 -10.007 196 HB3 LEU 6 2HB LEU 6 -3.887 -4.258 -10.563 197 HG LEU 6 HG LEU 6 -6.037 -2.427 -11.671 198 HD11 LEU 6 1HD1 LEU 6 -3.226 -3.219 -12.602 199 HD12 LEU 6 2HD1 LEU 6 -3.861 -1.603 -12.246 200 HD13 LEU 6 3HD1 LEU 6 -4.455 -2.492 -13.686 201 HD21 LEU 6 3HD2 LEU 6 -5.071 -5.043 -12.843 202 HD22 LEU 6 1HD2 LEU 6 -6.398 -4.026 -13.365 203 HD23 LEU 6 2HD2 LEU 6 -6.547 -4.850 -11.847 204 H CYS 7 H CYS 7 -5.230 -6.271 -8.190 205 HA CYS 7 HA CYS 7 -3.231 -5.388 -6.291 206 HB2 CYS 7 1HB CYS 7 -5.759 -5.138 -5.404 207 HB3 CYS 7 2HB CYS 7 -5.589 -6.864 -5.135 208 H AIB 8 H AIB 8 -5.387 -8.077 -6.955 209 HB11 AIB 8 1HB1 AIB 8 -6.090 -9.896 -8.395 210 HB12 AIB 8 3HB1 AIB 8 -6.327 -9.976 -6.680 211 HB13 AIB 8 1HB2 AIB 8 -5.778 -11.402 -7.580 212 HB21 AIB 8 3HB2 AIB 8 -2.570 -10.291 -5.991 213 HB22 AIB 8 2HB1 AIB 8 -3.480 -11.672 -6.455 214 HB23 AIB 8 2HB2 AIB 8 -4.111 -10.584 -5.180 215 H SER 9 H SER 9 -4.247 -11.745 -8.987 216 HA SER 9 HA SER 9 -1.778 -11.666 -10.282 217 HB2 SER 9 1HB SER 9 -2.941 -13.021 -12.119 218 HB3 SER 9 2HB SER 9 -3.325 -13.555 -10.497 219 HG SER 9 HG SER 9 -5.261 -13.429 -11.539 220 H HIS 10 H HIS 10 -4.699 -9.814 -11.129 221 HA HIS 10 HA HIS 10 -3.777 -9.010 -13.714 222 HB2 HIS 10 1HB HIS 10 -5.792 -7.763 -11.840 223 HB3 HIS 10 2HB HIS 10 -5.480 -7.198 -13.471 224 HD1 HIS 10 HD1 HIS 10 -5.983 -8.963 -15.507 225 HD2 HIS 10 HD2 HIS 10 -7.441 -10.036 -11.717 226 HE1 HIS 10 HE1 HIS 10 -7.608 -10.957 -15.822 227 HE2 HIS 10 H01 HIS 10 -8.560 -11.445 -13.531 228 H LEU 11 H LEU 11 -2.938 -7.703 -10.516 229 HA LEU 11 HA LEU 11 -1.987 -5.121 -11.395 230 HB2 LEU 11 1HB LEU 11 -2.526 -5.762 -9.060 231 HB3 LEU 11 2HB LEU 11 -1.237 -6.880 -9.051 232 HG LEU 11 HG LEU 11 -0.883 -4.865 -7.667 233 HD11 LEU 11 1HD1 LEU 11 1.227 -4.793 -9.872 234 HD12 LEU 11 2HD1 LEU 11 1.155 -6.118 -8.674 235 HD13 LEU 11 3HD1 LEU 11 1.440 -4.458 -8.121 236 HD21 LEU 11 3HD2 LEU 11 -0.364 -2.681 -8.648 237 HD22 LEU 11 1HD2 LEU 11 -2.014 -3.187 -9.132 238 HD23 LEU 11 2HD2 LEU 11 -0.677 -3.333 -10.288 239 H VAL 12 H VAL 12 -0.563 -8.331 -10.846 240 HA VAL 12 HA VAL 12 2.074 -7.711 -11.762 241 HB VAL 12 HB VAL 12 0.581 -10.380 -11.896 242 HG11 VAL 12 1HG1 VAL 12 2.756 -11.445 -11.950 243 HG12 VAL 12 2HG1 VAL 12 2.605 -10.334 -13.287 244 HG13 VAL 12 3HG1 VAL 12 3.576 -9.874 -11.878 245 HG21 VAL 12 3HG2 VAL 12 2.329 -9.208 -9.662 246 HG22 VAL 12 1HG2 VAL 12 0.565 -9.538 -9.578 247 HG23 VAL 12 2HG2 VAL 12 1.721 -10.880 -9.710 248 H GLU 13 H GLU 13 -0.781 -9.074 -13.518 249 HA GLU 13 HA GLU 13 0.446 -9.302 -16.094 250 HB2 GLU 13 1HB GLU 13 -1.801 -10.185 -15.430 251 HB3 GLU 13 2HB GLU 13 -2.402 -8.541 -15.415 252 HG2 GLU 13 1HG GLU 13 -1.932 -8.323 -17.865 253 HG3 GLU 13 2HG GLU 13 -1.459 -10.018 -17.850 254 HE2 GLU 13 HE2 GLU 13 -2.941 -11.121 -18.583 255 H ALA 14 H ALA 14 -0.968 -6.348 -14.499 256 HA ALA 14 HA ALA 14 -0.774 -4.758 -16.865 257 HB1 ALA 14 3HB ALA 14 -1.269 -2.861 -15.427 258 HB2 ALA 14 1HB ALA 14 -2.339 -4.245 -15.059 259 HB3 ALA 14 2HB ALA 14 -0.973 -3.866 -13.976 260 H LEU 15 H LEU 15 1.374 -5.313 -14.122 261 HA LEU 15 HA LEU 15 3.309 -3.381 -14.861 262 HB2 LEU 15 1HB LEU 15 2.865 -5.200 -12.803 263 HB3 LEU 15 2HB LEU 15 4.263 -5.897 -13.613 264 HG LEU 15 HG LEU 15 4.082 -3.103 -12.423 265 HD11 LEU 15 1HD1 LEU 15 4.161 -4.928 -10.761 266 HD12 LEU 15 2HD1 LEU 15 5.707 -4.081 -10.780 267 HD13 LEU 15 3HD1 LEU 15 5.553 -5.642 -11.559 268 HD21 LEU 15 3HD2 LEU 15 6.608 -3.098 -12.872 269 HD22 LEU 15 1HD2 LEU 15 5.611 -3.042 -14.338 270 HD23 LEU 15 2HD2 LEU 15 6.369 -4.564 -13.851 271 H TYR 16 H TYR 16 2.948 -6.848 -15.676 272 HA TYR 16 HA TYR 16 5.358 -7.043 -17.236 273 HB2 TYR 16 1HB TYR 16 4.181 -8.992 -16.414 274 HB3 TYR 16 2HB TYR 16 2.726 -8.515 -17.320 275 HD1 TYR 16 HD2 TYR 16 6.243 -9.817 -17.761 276 HD2 TYR 16 HD1 TYR 16 2.433 -9.026 -19.642 277 HE1 TYR 16 HE2 TYR 16 6.912 -11.164 -19.740 278 HE2 TYR 16 HE1 TYR 16 3.135 -10.481 -21.577 279 HH TYR 16 HH TYR 16 6.222 -12.108 -21.644 280 H LEU 17 H LEU 17 1.944 -6.107 -18.104 281 HA LEU 17 HA LEU 17 2.546 -5.883 -20.892 282 HB2 LEU 17 1HB LEU 17 0.366 -4.596 -19.210 283 HB3 LEU 17 2HB LEU 17 0.469 -4.409 -20.946 284 HG LEU 17 HG LEU 17 0.264 -7.164 -19.748 285 HD11 LEU 17 1HD1 LEU 17 -2.187 -6.969 -20.383 286 HD12 LEU 17 2HD1 LEU 17 -1.929 -5.249 -20.732 287 HD13 LEU 17 3HD1 LEU 17 -1.738 -5.870 -19.101 288 HD21 LEU 17 3HD2 LEU 17 1.112 -7.078 -22.051 289 HD22 LEU 17 1HD2 LEU 17 -0.348 -6.170 -22.528 290 HD23 LEU 17 2HD2 LEU 17 -0.471 -7.828 -21.900 291 H VAL 18 H VAL 18 2.658 -3.338 -18.366 292 HA VAL 18 HA VAL 18 3.097 -1.436 -20.469 293 HB VAL 18 HB VAL 18 1.958 -0.748 -18.415 294 HG11 VAL 18 1HG1 VAL 18 4.581 -0.794 -16.894 295 HG12 VAL 18 2HG1 VAL 18 2.951 -0.458 -16.291 296 HG13 VAL 18 3HG1 VAL 18 3.380 -2.101 -16.806 297 HG21 VAL 18 3HG2 VAL 18 2.869 1.052 -19.728 298 HG22 VAL 18 1HG2 VAL 18 3.217 1.465 -18.060 299 HG23 VAL 18 2HG2 VAL 18 4.543 0.814 -19.101 300 H CYS 19 H CYS 19 5.167 -3.316 -18.320 301 HA CYS 19 HA CYS 19 7.533 -1.684 -19.019 302 HB2 CYS 19 1HB CYS 19 7.246 -2.801 -16.789 303 HB3 CYS 19 2HB CYS 19 7.341 -4.375 -17.611 304 H GLY 20 H GLY 20 6.121 -4.848 -20.067 305 HA2 GLY 20 1HA GLY 20 6.660 -5.254 -22.553 306 HA3 GLY 20 2HA GLY 20 8.312 -4.958 -22.142 307 H GLU 21 H GLU 21 7.951 -7.292 -23.403 308 HA GLU 21 HA GLU 21 7.219 -9.424 -21.644 309 HB2 GLU 21 1HB GLU 21 9.056 -9.430 -24.036 310 HB3 GLU 21 2HB GLU 21 8.440 -10.865 -23.196 311 HG2 GLU 21 1HG GLU 21 6.113 -10.090 -23.710 312 HG3 GLU 21 2HG GLU 21 6.810 -8.809 -24.713 313 HE2 GLU 21 HE2 GLU 21 6.442 -12.523 -25.957 314 H ARG 22 H ARG 22 9.948 -7.474 -21.695 315 HA ARG 22 HA ARG 22 11.954 -9.238 -20.887 316 HB2 ARG 22 1HB ARG 22 13.261 -7.276 -20.297 317 HB3 ARG 22 2HB ARG 22 12.449 -7.141 -21.871 318 HG2 ARG 22 1HG ARG 22 10.848 -5.947 -19.751 319 HG3 ARG 22 2HG ARG 22 12.444 -5.219 -19.820 320 HD2 ARG 22 1HD ARG 22 10.621 -5.535 -22.231 321 HD3 ARG 22 2HD ARG 22 10.756 -4.058 -21.213 322 HE ARG 22 HE ARG 22 13.058 -5.253 -22.629 323 HH11 ARG 22 1HH1 ARG 22 10.932 -2.457 -22.135 324 HH12 ARG 22 2HH1 ARG 22 11.950 -1.408 -23.123 325 HH21 ARG 22 1HH2 ARG 22 14.311 -3.843 -23.807 326 HH22 ARG 22 2HH2 ARG 22 13.800 -2.195 -24.027 327 H GLY 23 H GLY 23 9.275 -7.951 -19.104 328 HA2 GLY 23 1HA GLY 23 8.596 -8.544 -17.018 329 HA3 GLY 23 2HA GLY 23 10.054 -9.513 -16.853 330 H PHE 24 H PHE 24 9.874 -8.751 -14.639 331 HA PHE 24 HA PHE 24 11.123 -6.065 -14.199 332 HB2 PHE 24 1HB PHE 24 9.675 -5.964 -12.130 333 HB3 PHE 24 2HB PHE 24 8.913 -5.645 -13.693 334 HD1 PHE 24 HD1 PHE 24 9.347 -8.484 -11.333 335 HD2 PHE 24 HD2 PHE 24 6.904 -6.757 -14.411 336 HE1 PHE 24 HE1 PHE 24 7.626 -10.292 -10.955 337 HE2 PHE 24 HE2 PHE 24 5.206 -8.597 -14.087 338 HZ PHE 24 HZ PHE 24 5.602 -10.282 -12.362 339 H PHE 25 H PHE 25 11.987 -5.916 -11.936 340 HA PHE 25 HA PHE 25 13.795 -8.251 -11.708 341 HB2 PHE 25 1HB PHE 25 13.865 -5.478 -11.079 342 HB3 PHE 25 2HB PHE 25 13.939 -6.293 -9.516 343 HD1 PHE 25 HD1 PHE 25 15.748 -7.843 -9.017 344 HD2 PHE 25 HD2 PHE 25 15.593 -5.813 -12.794 345 HE1 PHE 25 HE1 PHE 25 18.163 -8.382 -9.389 346 HE2 PHE 25 HE2 PHE 25 18.012 -6.334 -13.206 347 HZ PHE 25 HZ PHE 25 19.273 -7.650 -11.479 348 H TYR 26 H TYR 26 14.256 -9.305 -9.651 349 HA TYR 26 HA TYR 26 11.852 -9.532 -7.831 350 HB2 TYR 26 1HB TYR 26 12.720 -11.620 -9.137 351 HB3 TYR 26 2HB TYR 26 14.187 -11.470 -8.190 352 HD1 TYR 26 HD2 TYR 26 10.446 -11.680 -7.736 353 HD2 TYR 26 HD1 TYR 26 14.297 -12.784 -6.240 354 HE1 TYR 26 HE2 TYR 26 9.359 -13.135 -6.001 355 HE2 TYR 26 HE1 TYR 26 13.188 -14.208 -4.459 356 HH TYR 26 HH TYR 26 9.626 -14.225 -4.063 357 H THR 27 H THR 27 13.564 -10.819 -5.789 358 HA THR 27 HA THR 27 15.383 -8.568 -5.085 359 HB THR 27 HB THR 27 14.863 -9.609 -2.665 360 HG1 THR 27 HG1 THR 27 12.217 -9.569 -3.715 361 HG21 THR 27 1HG2 THR 27 13.207 -7.539 -4.149 362 HG22 THR 27 2HG2 THR 27 14.700 -7.246 -3.239 363 HG23 THR 27 3HG2 THR 27 13.272 -7.754 -2.376 364 H LYS 28 H LYS 28 17.277 -9.410 -5.681 365 HA LYS 28 HA LYS 28 18.148 -11.929 -4.414 366 HB2 LYS 28 1HB LYS 28 18.110 -11.209 -7.364 367 HB3 LYS 28 2HB LYS 28 19.290 -12.356 -6.712 368 HG2 LYS 28 1HG LYS 28 17.356 -13.741 -5.875 369 HG3 LYS 28 2HG LYS 28 16.277 -12.615 -6.732 370 HD2 LYS 28 1HD LYS 28 17.346 -13.116 -8.839 371 HD3 LYS 28 2HD LYS 28 18.523 -14.241 -7.993 372 HE2 LYS 28 1HE LYS 28 16.758 -15.659 -7.228 373 HE3 LYS 28 2HE LYS 28 15.477 -14.654 -8.019 374 HZ1 LYS 28 3HZ LYS 28 16.845 -15.210 -10.119 375 HZ2 LYS 28 1HZ LYS 28 15.943 -16.420 -9.461 376 HZ3 LYS 28 2HZ LYS 28 17.595 -16.385 -9.199 377 HA PRO 29 HA PRO 29 21.814 -9.474 -3.886 378 HB2 PRO 29 1HB PRO 29 23.748 -11.300 -3.384 379 HB3 PRO 29 2HB PRO 29 22.389 -11.152 -2.280 380 HG2 PRO 29 1HG PRO 29 22.711 -13.173 -4.554 381 HG3 PRO 29 2HG PRO 29 22.245 -13.392 -2.773 382 HD2 PRO 29 1HD PRO 29 20.395 -13.253 -4.745 383 HD3 PRO 29 2HD PRO 29 20.048 -12.647 -3.125 384 H THR 30 H THR 30 22.263 -8.444 -5.910 385 HA THR 30 HA THR 30 23.161 -10.108 -8.167 386 HB THR 30 HB THR 30 23.408 -7.836 -9.319 387 HG1 THR 30 HG1 THR 30 22.662 -5.985 -8.146 388 HG21 THR 30 1HG2 THR 30 20.984 -7.296 -9.439 389 HG22 THR 30 2HG2 THR 30 20.680 -8.313 -8.017 390 HG23 THR 30 3HG2 THR 30 21.233 -9.109 -9.555 391 HXT THR 30 H02 THR 30 24.593 -7.612 -6.485 Start of MODEL 33 1 H1 GLY 1 1H GLY 1 1.553 -1.954 -0.095 2 H2 GLY 1 2H GLY 1 2.313 -0.535 -0.132 3 HA2 GLY 1 1HA GLY 1 4.070 -1.562 -1.680 4 HA3 GLY 1 2HA GLY 1 3.047 -3.020 -1.642 5 H ILE 2 H ILE 2 3.350 -2.710 -3.979 6 HA ILE 2 HA ILE 2 2.347 -0.532 -5.378 7 HB ILE 2 HB ILE 2 2.367 -3.419 -6.345 8 HG12 ILE 2 1HG1 ILE 2 4.543 -2.042 -7.402 9 HG13 ILE 2 2HG1 ILE 2 4.520 -1.494 -5.737 10 HG21 ILE 2 1HG2 ILE 2 1.066 -1.732 -7.795 11 HG22 ILE 2 2HG2 ILE 2 2.581 -0.791 -7.936 12 HG23 ILE 2 3HG2 ILE 2 2.470 -2.392 -8.628 13 HD11 ILE 2 3HD1 ILE 2 4.717 -3.879 -4.959 14 HD12 ILE 2 1HD1 ILE 2 4.528 -4.483 -6.642 15 HD13 ILE 2 2HD1 ILE 2 5.992 -3.596 -6.208 16 H VAL 3 H VAL 3 0.541 -3.524 -4.589 17 HA VAL 3 HA VAL 3 -1.829 -2.576 -5.913 18 HB VAL 3 HB VAL 3 -1.194 -4.986 -5.387 19 HG11 VAL 3 1HG1 VAL 3 -0.652 -4.673 -2.951 20 HG12 VAL 3 2HG1 VAL 3 -2.358 -4.349 -2.620 21 HG13 VAL 3 3HG1 VAL 3 -1.852 -5.930 -3.236 22 HG21 VAL 3 3HG2 VAL 3 -3.411 -4.257 -6.234 23 HG22 VAL 3 1HG2 VAL 3 -3.514 -5.680 -5.165 24 HG23 VAL 3 2HG2 VAL 3 -3.978 -4.077 -4.545 25 H GLU 4 H GLU 4 -0.551 -2.094 -2.545 26 HA GLU 4 HA GLU 4 -3.139 -1.080 -1.651 27 HB2 GLU 4 1HB GLU 4 -0.298 -0.791 -0.600 28 HB3 GLU 4 2HB GLU 4 -1.700 -0.028 0.219 29 HG2 GLU 4 1HG GLU 4 -2.732 -2.224 0.569 30 HG3 GLU 4 2HG GLU 4 -1.450 -3.057 -0.260 31 HE2 GLU 4 HE2 GLU 4 -2.238 -3.443 2.173 32 H GLN 5 H GLN 5 -0.102 0.376 -2.907 33 HA GLN 5 HA GLN 5 -0.959 3.099 -2.531 34 HB2 GLN 5 1HB GLN 5 1.320 2.230 -2.774 35 HB3 GLN 5 2HB GLN 5 1.063 1.992 -4.503 36 HG2 GLN 5 1HG GLN 5 0.907 4.288 -4.918 37 HG3 GLN 5 2HG GLN 5 0.622 4.690 -3.228 38 HE21 GLN 5 2HE2 GLN 5 2.475 6.234 -3.614 39 HE22 GLN 5 1HE2 GLN 5 4.076 5.598 -3.394 40 H CYS 6 H CYS 6 -1.322 0.809 -5.405 41 HA CYS 6 HA CYS 6 -2.525 3.094 -6.853 42 HB2 CYS 6 1HB CYS 6 -0.447 1.414 -7.493 43 HB3 CYS 6 2HB CYS 6 -1.730 0.783 -8.508 44 H CYS 7 H CYS 7 -3.589 0.018 -5.570 45 HA CYS 7 HA CYS 7 -5.444 -0.468 -7.758 46 HB2 CYS 7 1HB CYS 7 -4.524 -2.249 -6.226 47 HB3 CYS 7 2HB CYS 7 -5.605 -1.634 -4.937 48 H THR 8 H THR 8 -5.403 1.627 -5.114 49 HA THR 8 HA THR 8 -8.212 1.721 -4.438 50 HB THR 8 HB THR 8 -6.355 2.396 -2.815 51 HG1 THR 8 HG1 THR 8 -8.400 4.153 -3.544 52 HG21 THR 8 1HG2 THR 8 -4.885 3.601 -4.515 53 HG22 THR 8 2HG2 THR 8 -5.256 4.584 -3.061 54 HG23 THR 8 3HG2 THR 8 -6.114 4.915 -4.592 55 H SER 9 H SER 9 -6.537 2.783 -7.108 56 HA SER 9 HA SER 9 -8.731 4.526 -8.002 57 HB2 SER 9 1HB SER 9 -7.109 6.224 -8.740 58 HB3 SER 9 2HB SER 9 -7.319 6.162 -6.989 59 HG SER 9 HG SER 9 -5.089 5.087 -8.520 60 H ILE 10 H ILE 10 -8.031 5.255 -10.369 61 HA ILE 10 HA ILE 10 -7.533 2.827 -11.815 62 HB ILE 10 HB ILE 10 -7.710 5.618 -13.020 63 HG12 ILE 10 1HG1 ILE 10 -9.807 5.165 -11.847 64 HG13 ILE 10 2HG1 ILE 10 -10.015 5.141 -13.598 65 HG21 ILE 10 1HG2 ILE 10 -6.602 4.098 -14.552 66 HG22 ILE 10 2HG2 ILE 10 -7.814 2.826 -14.285 67 HG23 ILE 10 3HG2 ILE 10 -8.280 4.308 -15.127 68 HD11 ILE 10 3HD1 ILE 10 -11.330 3.269 -12.711 69 HD12 ILE 10 1HD1 ILE 10 -9.936 2.562 -13.520 70 HD13 ILE 10 2HD1 ILE 10 -9.963 2.691 -11.753 71 H CYS 11 H CYS 11 -5.479 2.153 -11.538 72 HA CYS 11 HA CYS 11 -3.266 3.993 -11.514 73 HB2 CYS 11 1HB CYS 11 -3.435 1.784 -10.309 74 HB3 CYS 11 2HB CYS 11 -3.019 1.007 -11.833 75 H SER 12 H SER 12 -2.439 4.945 -13.160 76 HA SER 12 HA SER 12 -3.302 4.133 -15.806 77 HB2 SER 12 1HB SER 12 -2.284 6.122 -16.599 78 HB3 SER 12 2HB SER 12 -3.136 6.487 -15.103 79 HG SER 12 HG SER 12 -1.284 7.375 -14.725 80 H LEU 13 H LEU 13 -1.844 3.598 -17.680 81 HA LEU 13 HA LEU 13 0.287 1.924 -16.971 82 HB2 LEU 13 1HB LEU 13 1.005 1.766 -19.246 83 HB3 LEU 13 2HB LEU 13 -0.694 1.881 -19.247 84 HG LEU 13 HG LEU 13 -0.076 3.090 -21.011 85 HD11 LEU 13 1HD1 LEU 13 -0.881 5.396 -20.746 86 HD12 LEU 13 2HD1 LEU 13 -0.541 5.339 -19.019 87 HD13 LEU 13 3HD1 LEU 13 -1.775 4.275 -19.701 88 HD21 LEU 13 3HD2 LEU 13 2.011 4.877 -19.678 89 HD22 LEU 13 1HD2 LEU 13 1.680 4.672 -21.396 90 HD23 LEU 13 2HD2 LEU 13 2.368 3.316 -20.526 91 H TYR 14 H TYR 14 0.214 5.357 -17.433 92 HA TYR 14 HA TYR 14 3.010 5.747 -17.505 93 HB2 TYR 14 1HB TYR 14 1.093 7.238 -18.221 94 HB3 TYR 14 2HB TYR 14 1.009 7.645 -16.541 95 HD1 TYR 14 HD2 TYR 14 3.225 7.691 -19.499 96 HD2 TYR 14 HD1 TYR 14 2.508 9.190 -15.531 97 HE1 TYR 14 HE2 TYR 14 5.415 8.907 -19.391 98 HE2 TYR 14 HE1 TYR 14 4.277 10.782 -15.792 99 HH TYR 14 HH TYR 14 6.270 11.227 -16.960 100 H GLN 15 H GLN 15 0.759 5.617 -14.927 101 HA GLN 15 HA GLN 15 2.701 6.302 -12.848 102 HB2 GLN 15 1HB GLN 15 -0.044 5.000 -12.872 103 HB3 GLN 15 2HB GLN 15 0.894 5.077 -11.376 104 HG2 GLN 15 1HG GLN 15 0.783 7.469 -11.400 105 HG3 GLN 15 2HG GLN 15 0.343 7.557 -13.119 106 HE21 GLN 15 2HE2 GLN 15 -1.291 9.004 -11.900 107 HE22 GLN 15 1HE2 GLN 15 -2.798 8.276 -11.523 108 H LEU 16 H LEU 16 1.402 3.215 -14.199 109 HA LEU 16 HA LEU 16 2.806 1.514 -12.416 110 HB2 LEU 16 1HB LEU 16 1.665 1.235 -15.184 111 HB3 LEU 16 2HB LEU 16 2.617 -0.127 -14.473 112 HG LEU 16 HG LEU 16 0.073 1.141 -13.312 113 HD11 LEU 16 1HD1 LEU 16 -1.111 -0.678 -14.225 114 HD12 LEU 16 2HD1 LEU 16 0.380 -1.676 -14.384 115 HD13 LEU 16 3HD1 LEU 16 0.076 -0.315 -15.497 116 HD21 LEU 16 3HD2 LEU 16 0.119 -1.028 -11.903 117 HD22 LEU 16 1HD2 LEU 16 1.272 0.230 -11.449 118 HD23 LEU 16 2HD2 LEU 16 1.807 -1.167 -12.406 119 H GLU 17 H GLU 17 3.851 3.162 -15.347 120 HA GLU 17 HA GLU 17 6.292 1.690 -15.640 121 HB2 GLU 17 1HB GLU 17 5.429 4.490 -16.370 122 HB3 GLU 17 2HB GLU 17 7.101 3.950 -16.601 123 HG2 GLU 17 1HG GLU 17 6.348 2.269 -18.261 124 HG3 GLU 17 2HG GLU 17 4.659 2.551 -17.909 125 HE2 GLU 17 HE2 GLU 17 6.911 3.114 -19.865 126 H ASN 18 H ASN 18 5.434 4.120 -13.106 127 HA ASN 18 HA ASN 18 8.266 4.680 -12.531 128 HB2 ASN 18 1HB ASN 18 5.759 5.187 -10.838 129 HB3 ASN 18 2HB ASN 18 7.381 5.868 -10.610 130 HD21 ASN 18 2HD2 ASN 18 4.745 7.063 -11.164 131 HD22 ASN 18 1HD2 ASN 18 5.017 8.082 -12.518 132 H TYR 19 H TYR 19 6.417 1.975 -12.041 133 HA TYR 19 HA TYR 19 7.830 1.151 -9.528 134 HB2 TYR 19 1HB TYR 19 5.516 -0.072 -11.032 135 HB3 TYR 19 2HB TYR 19 6.261 -0.751 -9.609 136 HD1 TYR 19 HD1 TYR 19 4.138 1.991 -10.874 137 HD2 TYR 19 HD2 TYR 19 5.844 0.235 -7.377 138 HE1 TYR 19 HE1 TYR 19 2.595 3.340 -9.438 139 HE2 TYR 19 HE2 TYR 19 4.266 1.514 -5.960 140 HH TYR 19 HH TYR 19 1.884 3.702 -7.411 141 H CYS 20 H CYS 20 8.067 1.114 -12.895 142 HA CYS 20 HA CYS 20 9.208 -1.610 -13.146 143 HB2 CYS 20 1HB CYS 20 7.841 -0.682 -15.084 144 HB3 CYS 20 2HB CYS 20 9.034 0.645 -15.185 145 H ASN 21 H ASN 21 11.457 -2.024 -13.623 146 HA ASN 21 HA ASN 21 13.226 -0.016 -12.453 147 HB2 ASN 21 1HB ASN 21 13.461 -2.549 -11.931 148 HB3 ASN 21 2HB ASN 21 13.905 -2.744 -13.633 149 HD21 ASN 21 2HD2 ASN 21 16.116 -2.905 -13.919 150 HD22 ASN 21 1HD2 ASN 21 17.270 -2.082 -12.939 151 HXT ASN 21 H02 ASN 21 12.981 1.398 -13.801 152 H1 PHE 1 1H PHE 1 -5.329 2.026 -22.125 153 H2 PHE 1 2H PHE 1 -5.613 0.696 -22.984 154 HA PHE 1 HA PHE 1 -4.173 -0.614 -21.512 155 HB2 PHE 1 1HB PHE 1 -2.971 1.664 -20.920 156 HB3 PHE 1 2HB PHE 1 -4.154 1.827 -19.644 157 HD1 PHE 1 HD1 PHE 1 -1.722 -0.669 -20.888 158 HD2 PHE 1 HD2 PHE 1 -3.753 0.969 -17.514 159 HE1 PHE 1 HE1 PHE 1 -0.297 -2.034 -19.313 160 HE2 PHE 1 HE2 PHE 1 -2.501 -0.391 -16.009 161 HZ PHE 1 HZ PHE 1 -0.645 -1.928 -16.905 162 H VAL 2 H VAL 2 -4.809 -1.033 -18.995 163 HA VAL 2 HA VAL 2 -7.597 -1.646 -19.117 164 HB VAL 2 HB VAL 2 -5.638 -2.039 -16.840 165 HG11 VAL 2 1HG1 VAL 2 -7.272 -3.885 -16.181 166 HG12 VAL 2 2HG1 VAL 2 -8.160 -2.377 -16.309 167 HG13 VAL 2 3HG1 VAL 2 -8.292 -3.549 -17.644 168 HG21 VAL 2 3HG2 VAL 2 -5.471 -4.366 -17.819 169 HG22 VAL 2 1HG2 VAL 2 -6.351 -3.769 -19.278 170 HG23 VAL 2 2HG2 VAL 2 -4.730 -3.103 -18.870 171 H ASN 3 H ASN 3 -8.570 0.399 -19.114 172 HA ASN 3 HA ASN 3 -8.496 2.172 -16.755 173 HB2 ASN 3 1HB ASN 3 -9.084 2.685 -19.183 174 HB3 ASN 3 2HB ASN 3 -10.668 1.960 -18.883 175 HD21 ASN 3 2HD2 ASN 3 -12.081 3.500 -18.725 176 HD22 ASN 3 1HD2 ASN 3 -11.894 4.961 -17.777 177 H GLN 4 H GLN 4 -9.299 -0.829 -16.491 178 HA GLN 4 HA GLN 4 -11.822 -0.324 -15.035 179 HB2 GLN 4 1HB GLN 4 -11.657 -2.037 -16.955 180 HB3 GLN 4 2HB GLN 4 -10.687 -3.063 -15.856 181 HG2 GLN 4 1HG GLN 4 -13.328 -2.022 -14.768 182 HG3 GLN 4 2HG GLN 4 -13.461 -3.157 -16.148 183 HE21 GLN 4 2HE2 GLN 4 -13.841 -3.182 -13.013 184 HE22 GLN 4 1HE2 GLN 4 -13.213 -4.774 -12.614 185 H HIS 5 H HIS 5 -8.524 -0.642 -14.605 186 HA HIS 5 HA HIS 5 -7.146 -1.350 -12.938 187 HB2 HIS 5 1HB HIS 5 -7.233 0.210 -11.325 188 HB3 HIS 5 2HB HIS 5 -8.406 0.843 -12.535 189 HD1 HIS 5 HD1 HIS 5 -8.142 0.767 -9.064 190 HD2 HIS 5 HD2 HIS 5 -11.180 -0.407 -11.674 191 HE1 HIS 5 HE1 HIS 5 -10.276 0.644 -7.689 192 HE2 HIS 5 H01 HIS 5 -12.109 -0.104 -9.253 193 H LEU 6 H LEU 6 -9.392 -3.534 -13.058 194 HA LEU 6 HA LEU 6 -9.629 -4.541 -10.428 195 HB2 LEU 6 1HB LEU 6 -10.232 -6.542 -11.282 196 HB3 LEU 6 2HB LEU 6 -10.817 -5.456 -12.510 197 HG LEU 6 HG LEU 6 -8.392 -7.224 -12.682 198 HD11 LEU 6 1HD1 LEU 6 -10.590 -8.356 -12.825 199 HD12 LEU 6 2HD1 LEU 6 -9.721 -8.463 -14.344 200 HD13 LEU 6 3HD1 LEU 6 -11.066 -7.321 -14.163 201 HD21 LEU 6 3HD2 LEU 6 -7.860 -5.287 -13.905 202 HD22 LEU 6 1HD2 LEU 6 -9.467 -5.335 -14.699 203 HD23 LEU 6 2HD2 LEU 6 -8.296 -6.598 -15.050 204 H CYS 7 H CYS 7 -8.540 -5.911 -9.229 205 HA CYS 7 HA CYS 7 -5.635 -6.169 -9.815 206 HB2 CYS 7 1HB CYS 7 -7.150 -5.633 -7.233 207 HB3 CYS 7 2HB CYS 7 -5.379 -5.854 -7.301 208 H AIB 8 H AIB 8 -6.231 -7.633 -6.809 209 HB11 AIB 8 1HB1 AIB 8 -7.190 -11.542 -6.817 210 HB12 AIB 8 3HB1 AIB 8 -6.840 -11.125 -8.493 211 HB13 AIB 8 1HB2 AIB 8 -8.068 -10.171 -7.604 212 HB21 AIB 8 3HB2 AIB 8 -5.718 -10.592 -4.998 213 HB22 AIB 8 2HB1 AIB 8 -7.007 -9.409 -5.116 214 HB23 AIB 8 2HB2 AIB 8 -5.335 -8.880 -5.124 215 H SER 9 H SER 9 -5.171 -9.933 -9.369 216 HA SER 9 HA SER 9 -2.278 -10.195 -9.005 217 HB2 SER 9 1HB SER 9 -3.486 -12.533 -9.075 218 HB3 SER 9 2HB SER 9 -3.455 -12.222 -10.839 219 HG SER 9 HG SER 9 -1.479 -12.955 -10.652 220 H HIS 10 H HIS 10 -5.050 -9.180 -10.801 221 HA HIS 10 HA HIS 10 -3.883 -9.044 -13.418 222 HB2 HIS 10 1HB HIS 10 -6.275 -7.866 -12.091 223 HB3 HIS 10 2HB HIS 10 -5.675 -7.171 -13.640 224 HD1 HIS 10 HD1 HIS 10 -5.694 -8.815 -15.746 225 HD2 HIS 10 HD2 HIS 10 -7.594 -10.336 -12.314 226 HE1 HIS 10 HE1 HIS 10 -7.099 -10.834 -16.484 227 HE2 HIS 10 H01 HIS 10 -8.159 -11.728 -14.387 228 H LEU 11 H LEU 11 -3.935 -6.589 -10.846 229 HA LEU 11 HA LEU 11 -2.865 -4.486 -12.480 230 HB2 LEU 11 1HB LEU 11 -3.869 -4.303 -10.214 231 HB3 LEU 11 2HB LEU 11 -2.387 -4.950 -9.477 232 HG LEU 11 HG LEU 11 -1.987 -2.651 -11.341 233 HD11 LEU 11 1HD1 LEU 11 -3.697 -2.447 -8.777 234 HD12 LEU 11 2HD1 LEU 11 -4.073 -1.857 -10.387 235 HD13 LEU 11 3HD1 LEU 11 -2.775 -1.053 -9.442 236 HD21 LEU 11 3HD2 LEU 11 -1.158 -3.373 -8.456 237 HD22 LEU 11 1HD2 LEU 11 -0.660 -1.878 -9.292 238 HD23 LEU 11 2HD2 LEU 11 -0.172 -3.458 -9.947 239 H VAL 12 H VAL 12 -1.333 -7.143 -10.601 240 HA VAL 12 HA VAL 12 1.398 -6.266 -11.024 241 HB VAL 12 HB VAL 12 0.107 -8.958 -10.300 242 HG11 VAL 12 1HG1 VAL 12 2.048 -9.639 -11.527 243 HG12 VAL 12 2HG1 VAL 12 3.065 -8.413 -10.743 244 HG13 VAL 12 3HG1 VAL 12 2.450 -9.787 -9.794 245 HG21 VAL 12 3HG2 VAL 12 2.047 -7.222 -8.696 246 HG22 VAL 12 1HG2 VAL 12 0.271 -7.113 -8.565 247 HG23 VAL 12 2HG2 VAL 12 1.102 -8.633 -8.149 248 H GLU 13 H GLU 13 -0.839 -8.444 -12.768 249 HA GLU 13 HA GLU 13 1.119 -9.236 -14.694 250 HB2 GLU 13 1HB GLU 13 -0.957 -10.409 -14.309 251 HB3 GLU 13 2HB GLU 13 -1.884 -9.015 -14.932 252 HG2 GLU 13 1HG GLU 13 -1.850 -10.601 -16.656 253 HG3 GLU 13 2HG GLU 13 -0.749 -9.306 -17.124 254 HE2 GLU 13 HE2 GLU 13 1.784 -11.398 -17.543 255 H ALA 14 H ALA 14 -1.121 -6.523 -14.561 256 HA ALA 14 HA ALA 14 -0.710 -5.626 -17.216 257 HB1 ALA 14 3HB ALA 14 -2.678 -5.026 -15.710 258 HB2 ALA 14 1HB ALA 14 -1.582 -4.019 -14.758 259 HB3 ALA 14 2HB ALA 14 -1.899 -3.582 -16.442 260 H LEU 15 H LEU 15 0.710 -4.829 -14.065 261 HA LEU 15 HA LEU 15 2.584 -2.879 -14.963 262 HB2 LEU 15 1HB LEU 15 2.152 -3.254 -12.605 263 HB3 LEU 15 2HB LEU 15 2.655 -4.897 -12.669 264 HG LEU 15 HG LEU 15 4.963 -4.263 -12.988 265 HD11 LEU 15 1HD1 LEU 15 4.878 -2.200 -14.242 266 HD12 LEU 15 2HD1 LEU 15 5.707 -1.893 -12.687 267 HD13 LEU 15 3HD1 LEU 15 4.018 -1.363 -12.918 268 HD21 LEU 15 3HD2 LEU 15 3.898 -4.461 -10.771 269 HD22 LEU 15 1HD2 LEU 15 3.763 -2.673 -10.722 270 HD23 LEU 15 2HD2 LEU 15 5.370 -3.489 -10.828 271 H TYR 16 H TYR 16 2.884 -6.520 -14.721 272 HA TYR 16 HA TYR 16 5.577 -6.517 -15.633 273 HB2 TYR 16 1HB TYR 16 4.352 -8.416 -14.581 274 HB3 TYR 16 2HB TYR 16 3.407 -8.628 -16.060 275 HD1 TYR 16 HD1 TYR 16 6.936 -8.520 -14.821 276 HD2 TYR 16 HD2 TYR 16 4.305 -10.117 -17.765 277 HE1 TYR 16 HE1 TYR 16 8.832 -9.979 -15.705 278 HE2 TYR 16 HE2 TYR 16 6.128 -11.515 -18.622 279 HH TYR 16 HH TYR 16 9.437 -11.453 -17.275 280 H LEU 17 H LEU 17 2.473 -6.638 -17.488 281 HA LEU 17 HA LEU 17 3.698 -6.968 -20.089 282 HB2 LEU 17 1HB LEU 17 1.059 -5.704 -19.316 283 HB3 LEU 17 2HB LEU 17 1.605 -5.923 -20.989 284 HG LEU 17 HG LEU 17 1.270 -8.236 -19.111 285 HD11 LEU 17 1HD1 LEU 17 -0.913 -7.120 -19.262 286 HD12 LEU 17 2HD1 LEU 17 -0.954 -8.588 -20.247 287 HD13 LEU 17 3HD1 LEU 17 -0.760 -6.992 -21.025 288 HD21 LEU 17 3HD2 LEU 17 1.558 -8.016 -22.078 289 HD22 LEU 17 1HD2 LEU 17 1.029 -9.480 -21.280 290 HD23 LEU 17 2HD2 LEU 17 2.635 -8.865 -20.944 291 H VAL 18 H VAL 18 2.942 -3.921 -18.356 292 HA VAL 18 HA VAL 18 3.818 -2.292 -20.587 293 HB VAL 18 HB VAL 18 2.078 -1.619 -18.868 294 HG11 VAL 18 1HG1 VAL 18 4.552 -1.085 -17.126 295 HG12 VAL 18 2HG1 VAL 18 2.938 -0.408 -16.828 296 HG13 VAL 18 3HG1 VAL 18 3.189 -2.157 -16.766 297 HG21 VAL 18 3HG2 VAL 18 3.039 0.854 -18.679 298 HG22 VAL 18 1HG2 VAL 18 4.462 0.288 -19.583 299 HG23 VAL 18 2HG2 VAL 18 2.843 0.194 -20.331 300 H CYS 19 H CYS 19 5.400 -3.731 -17.759 301 HA CYS 19 HA CYS 19 7.800 -1.981 -17.993 302 HB2 CYS 19 1HB CYS 19 6.948 -2.815 -15.813 303 HB3 CYS 19 2HB CYS 19 7.332 -4.448 -16.396 304 H GLY 20 H GLY 20 6.703 -5.105 -18.993 305 HA2 GLY 20 1HA GLY 20 7.575 -5.990 -21.117 306 HA3 GLY 20 2HA GLY 20 9.174 -5.276 -20.713 307 H GLU 21 H GLU 21 9.522 -7.635 -21.255 308 HA GLU 21 HA GLU 21 8.940 -9.645 -19.243 309 HB2 GLU 21 1HB GLU 21 11.106 -9.621 -21.343 310 HB3 GLU 21 2HB GLU 21 10.624 -10.979 -20.385 311 HG2 GLU 21 1HG GLU 21 8.520 -11.117 -21.449 312 HG3 GLU 21 2HG GLU 21 8.747 -9.559 -22.251 313 HE2 GLU 21 HE2 GLU 21 9.863 -12.617 -22.043 314 H ARG 22 H ARG 22 11.131 -7.070 -19.111 315 HA ARG 22 HA ARG 22 13.296 -8.410 -17.700 316 HB2 ARG 22 1HB ARG 22 12.648 -5.443 -17.508 317 HB3 ARG 22 2HB ARG 22 14.174 -6.272 -17.267 318 HG2 ARG 22 1HG ARG 22 12.622 -5.861 -19.813 319 HG3 ARG 22 2HG ARG 22 14.121 -5.040 -19.326 320 HD2 ARG 22 1HD ARG 22 13.961 -8.020 -19.659 321 HD3 ARG 22 2HD ARG 22 14.285 -7.019 -21.066 322 HE ARG 22 HE ARG 22 16.056 -7.394 -18.769 323 HH11 ARG 22 1HH1 ARG 22 15.520 -5.823 -21.799 324 HH12 ARG 22 2HH1 ARG 22 17.161 -5.257 -21.960 325 HH21 ARG 22 1HH2 ARG 22 18.184 -6.650 -18.981 326 HH22 ARG 22 2HH2 ARG 22 18.604 -5.702 -20.386 327 H GLY 23 H GLY 23 10.183 -6.970 -16.837 328 HA2 GLY 23 1HA GLY 23 8.926 -7.301 -14.887 329 HA3 GLY 23 2HA GLY 23 10.246 -8.408 -14.385 330 H PHE 24 H PHE 24 9.343 -7.242 -12.319 331 HA PHE 24 HA PHE 24 11.082 -4.927 -11.615 332 HB2 PHE 24 1HB PHE 24 9.176 -3.894 -10.478 333 HB3 PHE 24 2HB PHE 24 8.750 -4.197 -12.172 334 HD1 PHE 24 HD1 PHE 24 7.059 -5.857 -12.801 335 HD2 PHE 24 HD2 PHE 24 8.051 -5.097 -8.699 336 HE1 PHE 24 HE1 PHE 24 5.105 -7.182 -12.096 337 HE2 PHE 24 HE2 PHE 24 6.047 -6.321 -7.917 338 HZ PHE 24 HZ PHE 24 4.528 -7.426 -9.636 339 H PHE 25 H PHE 25 11.485 -4.812 -9.347 340 HA PHE 25 HA PHE 25 11.753 -7.454 -8.199 341 HB2 PHE 25 1HB PHE 25 13.435 -5.416 -8.251 342 HB3 PHE 25 2HB PHE 25 12.576 -4.993 -6.762 343 HD1 PHE 25 HD1 PHE 25 14.194 -8.016 -8.261 344 HD2 PHE 25 HD2 PHE 25 13.293 -5.751 -4.697 345 HE1 PHE 25 HE1 PHE 25 15.641 -9.595 -6.925 346 HE2 PHE 25 HE2 PHE 25 14.685 -7.316 -3.357 347 HZ PHE 25 HZ PHE 25 15.833 -9.220 -4.456 348 H TYR 26 H TYR 26 11.033 -8.064 -6.062 349 HA TYR 26 HA TYR 26 8.422 -6.870 -5.383 350 HB2 TYR 26 1HB TYR 26 9.888 -9.219 -4.160 351 HB3 TYR 26 2HB TYR 26 8.303 -8.647 -3.628 352 HD1 TYR 26 HD1 TYR 26 6.560 -8.372 -5.766 353 HD2 TYR 26 HD2 TYR 26 9.933 -11.039 -5.590 354 HE1 TYR 26 HE1 TYR 26 5.441 -9.963 -7.391 355 HE2 TYR 26 HE2 TYR 26 8.830 -12.538 -7.314 356 HH TYR 26 HH TYR 26 6.941 -12.928 -8.651 357 H THR 27 H THR 27 8.566 -4.961 -4.280 358 HA THR 27 HA THR 27 10.732 -4.455 -2.446 359 HB THR 27 HB THR 27 9.826 -2.597 -3.793 360 HG1 THR 27 HG1 THR 27 9.591 -2.394 -0.970 361 HG21 THR 27 1HG2 THR 27 7.694 -1.565 -3.399 362 HG22 THR 27 2HG2 THR 27 7.316 -2.699 -2.099 363 HG23 THR 27 3HG2 THR 27 7.416 -3.262 -3.787 364 H LYS 28 H LYS 28 8.396 -6.444 -1.860 365 HA LYS 28 HA LYS 28 7.033 -5.482 0.435 366 HB2 LYS 28 1HB LYS 28 7.579 -8.292 -0.565 367 HB3 LYS 28 2HB LYS 28 6.698 -7.939 0.931 368 HG2 LYS 28 1HG LYS 28 5.087 -6.642 -0.225 369 HG3 LYS 28 2HG LYS 28 5.900 -6.939 -1.794 370 HD2 LYS 28 1HD LYS 28 5.464 -9.273 -1.779 371 HD3 LYS 28 2HD LYS 28 4.921 -9.290 -0.094 372 HE2 LYS 28 1HE LYS 28 3.407 -7.846 -2.297 373 HE3 LYS 28 2HE LYS 28 3.034 -9.471 -1.656 374 HZ1 LYS 28 3HZ LYS 28 1.787 -7.535 -0.677 375 HZ2 LYS 28 1HZ LYS 28 3.175 -6.981 0.031 376 HZ3 LYS 28 2HZ LYS 28 2.555 -8.441 0.472 377 HA PRO 29 HA PRO 29 10.315 -6.385 3.347 378 HB2 PRO 29 1HB PRO 29 9.139 -5.728 5.742 379 HB3 PRO 29 2HB PRO 29 9.539 -4.474 4.468 380 HG2 PRO 29 1HG PRO 29 6.916 -5.722 5.157 381 HG3 PRO 29 2HG PRO 29 7.289 -4.058 4.672 382 HD2 PRO 29 1HD PRO 29 6.303 -6.049 2.965 383 HD3 PRO 29 2HD PRO 29 7.036 -4.507 2.469 384 H THR 30 H THR 30 9.200 -8.610 2.339 385 HA THR 30 HA THR 30 9.438 -10.526 4.516 386 HB THR 30 HB THR 30 7.088 -10.194 4.983 387 HG1 THR 30 HG1 THR 30 6.325 -12.280 4.277 388 HG21 THR 30 1HG2 THR 30 6.656 -10.391 1.838 389 HG22 THR 30 2HG2 THR 30 6.263 -8.974 2.946 390 HG23 THR 30 3HG2 THR 30 5.334 -10.471 3.042 391 HXT THR 30 H02 THR 30 9.802 -12.312 3.967 Start of MODEL 34 1 H1 GLY 1 1H GLY 1 4.451 2.838 -0.447 2 H2 GLY 1 2H GLY 1 3.703 4.092 -1.050 3 HA2 GLY 1 1HA GLY 1 2.761 1.263 -1.117 4 HA3 GLY 1 2HA GLY 1 2.094 2.516 -0.105 5 H ILE 2 H ILE 2 3.221 3.088 -3.174 6 HA ILE 2 HA ILE 2 0.796 4.214 -4.208 7 HB ILE 2 HB ILE 2 3.011 3.053 -5.966 8 HG12 ILE 2 1HG1 ILE 2 3.003 5.863 -4.794 9 HG13 ILE 2 2HG1 ILE 2 3.952 4.541 -4.113 10 HG21 ILE 2 1HG2 ILE 2 1.096 5.398 -6.330 11 HG22 ILE 2 2HG2 ILE 2 2.345 4.966 -7.520 12 HG23 ILE 2 3HG2 ILE 2 0.980 3.877 -7.143 13 HD11 ILE 2 3HD1 ILE 2 4.303 5.663 -6.909 14 HD12 ILE 2 1HD1 ILE 2 5.378 5.916 -5.520 15 HD13 ILE 2 2HD1 ILE 2 5.213 4.268 -6.214 16 H VAL 3 H VAL 3 2.269 0.958 -4.485 17 HA VAL 3 HA VAL 3 0.387 -0.099 -6.333 18 HB VAL 3 HB VAL 3 2.628 -1.196 -5.727 19 HG11 VAL 3 1HG1 VAL 3 1.362 -2.070 -3.133 20 HG12 VAL 3 2HG1 VAL 3 2.989 -2.431 -3.730 21 HG13 VAL 3 3HG1 VAL 3 2.562 -0.751 -3.287 22 HG21 VAL 3 3HG2 VAL 3 0.720 -2.473 -6.772 23 HG22 VAL 3 1HG2 VAL 3 1.971 -3.468 -5.867 24 HG23 VAL 3 2HG2 VAL 3 0.353 -3.092 -5.137 25 H GLU 4 H GLU 4 0.137 0.307 -2.820 26 HA GLU 4 HA GLU 4 -2.242 -1.299 -2.529 27 HB2 GLU 4 1HB GLU 4 -0.690 -0.606 -0.607 28 HB3 GLU 4 2HB GLU 4 -1.286 1.030 -0.802 29 HG2 GLU 4 1HG GLU 4 -3.563 0.276 -0.274 30 HG3 GLU 4 2HG GLU 4 -2.946 -1.350 0.014 31 HE2 GLU 4 HE2 GLU 4 -3.080 0.480 3.090 32 H GLN 5 H GLN 5 -1.403 2.016 -3.197 33 HA GLN 5 HA GLN 5 -4.075 3.025 -3.105 34 HB2 GLN 5 1HB GLN 5 -1.978 4.392 -3.156 35 HB3 GLN 5 2HB GLN 5 -1.797 4.008 -4.851 36 HG2 GLN 5 1HG GLN 5 -3.845 5.162 -5.383 37 HG3 GLN 5 2HG GLN 5 -4.223 5.417 -3.663 38 HE21 GLN 5 2HE2 GLN 5 -4.346 7.613 -3.941 39 HE22 GLN 5 1HE2 GLN 5 -2.873 8.562 -4.111 40 H CYS 6 H CYS 6 -2.091 1.615 -5.694 41 HA CYS 6 HA CYS 6 -4.092 1.904 -7.694 42 HB2 CYS 6 1HB CYS 6 -1.599 0.341 -7.429 43 HB3 CYS 6 2HB CYS 6 -2.653 -0.105 -8.752 44 H CYS 7 H CYS 7 -3.757 -0.428 -5.166 45 HA CYS 7 HA CYS 7 -5.654 -2.289 -6.370 46 HB2 CYS 7 1HB CYS 7 -3.962 -3.270 -4.987 47 HB3 CYS 7 2HB CYS 7 -4.350 -2.179 -3.670 48 H THR 8 H THR 8 -5.857 0.187 -3.729 49 HA THR 8 HA THR 8 -8.667 -0.433 -3.509 50 HB THR 8 HB THR 8 -7.294 0.140 -1.529 51 HG1 THR 8 HG1 THR 8 -9.595 1.658 -2.186 52 HG21 THR 8 1HG2 THR 8 -6.806 2.427 -1.024 53 HG22 THR 8 2HG2 THR 8 -7.450 2.946 -2.568 54 HG23 THR 8 3HG2 THR 8 -5.995 1.955 -2.538 55 H SER 9 H SER 9 -6.862 1.737 -5.492 56 HA SER 9 HA SER 9 -9.316 3.441 -6.060 57 HB2 SER 9 1HB SER 9 -7.442 4.585 -4.726 58 HB3 SER 9 2HB SER 9 -6.427 4.316 -6.144 59 HG SER 9 HG SER 9 -7.269 6.331 -6.316 60 H ILE 10 H ILE 10 -8.484 4.699 -8.264 61 HA ILE 10 HA ILE 10 -8.180 2.547 -10.199 62 HB ILE 10 HB ILE 10 -8.545 5.544 -10.653 63 HG12 ILE 10 1HG1 ILE 10 -10.482 4.526 -9.335 64 HG13 ILE 10 2HG1 ILE 10 -10.939 5.061 -10.935 65 HG21 ILE 10 1HG2 ILE 10 -8.583 3.142 -12.545 66 HG22 ILE 10 2HG2 ILE 10 -9.472 4.666 -12.908 67 HG23 ILE 10 3HG2 ILE 10 -7.705 4.684 -12.673 68 HD11 ILE 10 3HD1 ILE 10 -10.355 2.142 -10.302 69 HD12 ILE 10 1HD1 ILE 10 -11.960 2.847 -10.315 70 HD13 ILE 10 2HD1 ILE 10 -10.988 2.775 -11.819 71 H CYS 11 H CYS 11 -6.410 2.133 -11.335 72 HA CYS 11 HA CYS 11 -3.973 3.703 -10.565 73 HB2 CYS 11 1HB CYS 11 -4.248 1.115 -10.227 74 HB3 CYS 11 2HB CYS 11 -4.121 1.055 -12.032 75 H SER 12 H SER 12 -2.311 4.034 -12.200 76 HA SER 12 HA SER 12 -3.433 4.232 -15.016 77 HB2 SER 12 1HB SER 12 -1.568 6.256 -13.653 78 HB3 SER 12 2HB SER 12 -2.240 6.300 -15.266 79 HG SER 12 HG SER 12 -3.847 6.102 -12.978 80 H LEU 13 H LEU 13 -1.830 4.209 -16.696 81 HA LEU 13 HA LEU 13 0.253 2.272 -16.495 82 HB2 LEU 13 1HB LEU 13 -0.122 4.422 -18.486 83 HB3 LEU 13 2HB LEU 13 1.108 3.234 -18.664 84 HG LEU 13 HG LEU 13 -1.922 2.632 -18.240 85 HD11 LEU 13 1HD1 LEU 13 -0.236 2.768 -20.859 86 HD12 LEU 13 2HD1 LEU 13 -1.552 3.840 -20.357 87 HD13 LEU 13 3HD1 LEU 13 -1.912 2.176 -20.766 88 HD21 LEU 13 3HD2 LEU 13 0.552 0.812 -18.923 89 HD22 LEU 13 1HD2 LEU 13 -1.103 0.403 -19.430 90 HD23 LEU 13 2HD2 LEU 13 -0.768 0.618 -17.750 91 H TYR 14 H TYR 14 0.438 5.953 -16.178 92 HA TYR 14 HA TYR 14 3.293 6.024 -16.004 93 HB2 TYR 14 1HB TYR 14 1.646 8.026 -16.366 94 HB3 TYR 14 2HB TYR 14 1.259 7.949 -14.645 95 HD1 TYR 14 HD1 TYR 14 4.004 8.625 -17.162 96 HD2 TYR 14 HD2 TYR 14 2.859 8.784 -13.073 97 HE1 TYR 14 HE1 TYR 14 5.863 10.105 -16.762 98 HE2 TYR 14 HE2 TYR 14 4.371 10.889 -13.100 99 HH TYR 14 HH TYR 14 7.362 10.937 -15.118 100 H GLN 15 H GLN 15 0.859 5.521 -13.521 101 HA GLN 15 HA GLN 15 2.646 5.462 -11.252 102 HB2 GLN 15 1HB GLN 15 -0.097 4.281 -11.820 103 HB3 GLN 15 2HB GLN 15 0.711 4.027 -10.288 104 HG2 GLN 15 1HG GLN 15 0.898 6.400 -9.976 105 HG3 GLN 15 2HG GLN 15 0.099 6.676 -11.531 106 HE21 GLN 15 2HE2 GLN 15 -0.379 6.677 -8.270 107 HE22 GLN 15 1HE2 GLN 15 -2.069 6.241 -8.208 108 H LEU 16 H LEU 16 1.446 3.085 -13.549 109 HA LEU 16 HA LEU 16 2.373 0.741 -12.286 110 HB2 LEU 16 1HB LEU 16 1.555 1.548 -14.912 111 HB3 LEU 16 2HB LEU 16 2.786 0.260 -14.992 112 HG LEU 16 HG LEU 16 0.399 0.041 -13.153 113 HD11 LEU 16 1HD1 LEU 16 -0.866 -1.172 -14.798 114 HD12 LEU 16 2HD1 LEU 16 0.419 -0.950 -16.016 115 HD13 LEU 16 3HD1 LEU 16 -0.529 0.459 -15.399 116 HD21 LEU 16 3HD2 LEU 16 2.252 -1.951 -14.505 117 HD22 LEU 16 1HD2 LEU 16 0.878 -2.394 -13.494 118 HD23 LEU 16 2HD2 LEU 16 2.243 -1.489 -12.798 119 H GLU 17 H GLU 17 4.164 2.916 -14.430 120 HA GLU 17 HA GLU 17 6.383 1.299 -14.869 121 HB2 GLU 17 1HB GLU 17 6.010 4.337 -14.718 122 HB3 GLU 17 2HB GLU 17 7.550 3.573 -15.138 123 HG2 GLU 17 1HG GLU 17 6.602 2.575 -17.090 124 HG3 GLU 17 2HG GLU 17 4.993 3.186 -16.638 125 HE2 GLU 17 HE2 GLU 17 7.386 5.319 -18.756 126 H ASN 18 H ASN 18 5.586 3.124 -11.973 127 HA ASN 18 HA ASN 18 8.315 3.209 -10.947 128 HB2 ASN 18 1HB ASN 18 5.649 3.294 -9.412 129 HB3 ASN 18 2HB ASN 18 7.236 3.768 -8.785 130 HD21 ASN 18 2HD2 ASN 18 4.727 5.176 -9.248 131 HD22 ASN 18 1HD2 ASN 18 5.158 6.542 -10.211 132 H TYR 19 H TYR 19 6.171 0.545 -11.294 133 HA TYR 19 HA TYR 19 7.518 -0.912 -9.066 134 HB2 TYR 19 1HB TYR 19 5.433 -1.996 -10.972 135 HB3 TYR 19 2HB TYR 19 5.820 -2.571 -9.354 136 HD1 TYR 19 HD2 TYR 19 5.575 -0.313 -7.592 137 HD2 TYR 19 HD1 TYR 19 3.355 -1.076 -11.158 138 HE1 TYR 19 HE2 TYR 19 3.674 1.008 -6.620 139 HE2 TYR 19 HE1 TYR 19 1.513 0.338 -10.295 140 HH TYR 19 HH TYR 19 1.437 1.888 -7.261 141 H CYS 20 H CYS 20 8.535 0.052 -11.983 142 HA CYS 20 HA CYS 20 9.751 -2.613 -12.682 143 HB2 CYS 20 1HB CYS 20 7.951 -1.789 -14.382 144 HB3 CYS 20 2HB CYS 20 9.117 -0.480 -14.716 145 H ASN 21 H ASN 21 11.780 -2.028 -14.162 146 HA ASN 21 HA ASN 21 13.497 -0.340 -12.624 147 HB2 ASN 21 1HB ASN 21 14.253 -2.367 -14.019 148 HB3 ASN 21 2HB ASN 21 13.900 -1.402 -15.464 149 HD21 ASN 21 2HD2 ASN 21 16.518 -2.337 -15.100 150 HD22 ASN 21 1HD2 ASN 21 17.472 -1.021 -14.641 151 HXT ASN 21 H02 ASN 21 12.892 1.399 -12.473 152 H1 PHE 1 1H PHE 1 -7.889 -1.180 -23.819 153 H2 PHE 1 2H PHE 1 -9.049 -0.169 -23.379 154 HA PHE 1 HA PHE 1 -7.603 -1.810 -21.322 155 HB2 PHE 1 1HB PHE 1 -5.859 -0.716 -22.872 156 HB3 PHE 1 2HB PHE 1 -6.599 0.790 -22.477 157 HD1 PHE 1 HD1 PHE 1 -4.840 -2.256 -21.048 158 HD2 PHE 1 HD2 PHE 1 -5.903 1.880 -20.483 159 HE1 PHE 1 HE1 PHE 1 -3.378 -2.167 -18.988 160 HE2 PHE 1 HE2 PHE 1 -4.427 1.976 -18.489 161 HZ PHE 1 HZ PHE 1 -3.164 -0.096 -17.742 162 H VAL 2 H VAL 2 -9.444 -1.541 -19.923 163 HA VAL 2 HA VAL 2 -10.419 1.237 -19.497 164 HB VAL 2 HB VAL 2 -11.306 -1.418 -18.187 165 HG11 VAL 2 1HG1 VAL 2 -11.816 0.558 -16.725 166 HG12 VAL 2 2HG1 VAL 2 -12.595 1.390 -18.094 167 HG13 VAL 2 3HG1 VAL 2 -13.312 -0.098 -17.419 168 HG21 VAL 2 3HG2 VAL 2 -11.809 -1.230 -20.666 169 HG22 VAL 2 1HG2 VAL 2 -13.250 -1.308 -19.663 170 HG23 VAL 2 2HG2 VAL 2 -12.714 0.240 -20.349 171 H ASN 3 H ASN 3 -9.780 2.497 -17.756 172 HA ASN 3 HA ASN 3 -7.532 1.432 -16.197 173 HB2 ASN 3 1HB ASN 3 -7.479 3.710 -15.269 174 HB3 ASN 3 2HB ASN 3 -7.530 3.731 -17.034 175 HD21 ASN 3 2HD2 ASN 3 -8.353 5.727 -14.896 176 HD22 ASN 3 1HD2 ASN 3 -9.966 6.175 -15.404 177 H GLN 4 H GLN 4 -7.743 0.405 -14.276 178 HA GLN 4 HA GLN 4 -10.108 0.999 -12.607 179 HB2 GLN 4 1HB GLN 4 -10.269 -1.044 -14.454 180 HB3 GLN 4 2HB GLN 4 -9.612 -1.917 -13.079 181 HG2 GLN 4 1HG GLN 4 -11.818 -2.272 -12.769 182 HG3 GLN 4 2HG GLN 4 -11.561 -0.820 -11.727 183 HE21 GLN 4 2HE2 GLN 4 -12.786 1.006 -12.200 184 HE22 GLN 4 1HE2 GLN 4 -13.748 1.173 -13.653 185 H HIS 5 H HIS 5 -9.914 -1.204 -10.887 186 HA HIS 5 HA HIS 5 -7.593 -0.486 -9.322 187 HB2 HIS 5 1HB HIS 5 -9.429 -2.886 -9.118 188 HB3 HIS 5 2HB HIS 5 -8.349 -2.356 -7.852 189 HD1 HIS 5 HD1 HIS 5 -8.973 0.350 -7.093 190 HD2 HIS 5 HD2 HIS 5 -12.034 -1.973 -8.704 191 HE1 HIS 5 HE1 HIS 5 -11.136 1.448 -6.387 192 HE2 HIS 5 H01 HIS 5 -13.013 0.010 -7.393 193 H LEU 6 H LEU 6 -5.684 -1.796 -8.917 194 HA LEU 6 HA LEU 6 -5.591 -4.328 -10.471 195 HB2 LEU 6 1HB LEU 6 -3.462 -2.208 -10.179 196 HB3 LEU 6 2HB LEU 6 -3.166 -3.799 -10.823 197 HG LEU 6 HG LEU 6 -4.851 -1.726 -12.188 198 HD11 LEU 6 1HD1 LEU 6 -2.040 -2.797 -12.703 199 HD12 LEU 6 2HD1 LEU 6 -2.395 -1.192 -12.066 200 HD13 LEU 6 3HD1 LEU 6 -2.842 -1.633 -13.734 201 HD21 LEU 6 3HD2 LEU 6 -3.886 -4.435 -13.212 202 HD22 LEU 6 1HD2 LEU 6 -4.787 -3.208 -14.175 203 HD23 LEU 6 2HD2 LEU 6 -5.575 -4.016 -12.829 204 H CYS 7 H CYS 7 -6.037 -5.497 -8.604 205 HA CYS 7 HA CYS 7 -4.027 -5.264 -6.432 206 HB2 CYS 7 1HB CYS 7 -6.531 -6.941 -6.540 207 HB3 CYS 7 2HB CYS 7 -5.482 -6.703 -5.154 208 H AIB 8 H AIB 8 -3.177 -7.294 -5.494 209 HB11 AIB 8 1HB1 AIB 8 -3.461 -9.980 -4.901 210 HB12 AIB 8 3HB1 AIB 8 -2.669 -11.098 -6.006 211 HB13 AIB 8 1HB2 AIB 8 -4.086 -10.264 -6.565 212 HB21 AIB 8 3HB2 AIB 8 -0.387 -8.026 -6.062 213 HB22 AIB 8 2HB1 AIB 8 -0.558 -9.672 -5.518 214 HB23 AIB 8 2HB2 AIB 8 -1.318 -8.399 -4.639 215 H SER 9 H SER 9 -2.896 -10.933 -8.052 216 HA SER 9 HA SER 9 -0.837 -11.067 -9.917 217 HB2 SER 9 1HB SER 9 -3.698 -12.095 -10.129 218 HB3 SER 9 2HB SER 9 -2.327 -12.606 -11.171 219 HG SER 9 HG SER 9 -1.256 -13.209 -9.087 220 H HIS 10 H HIS 10 -3.874 -9.131 -9.972 221 HA HIS 10 HA HIS 10 -3.802 -8.790 -12.877 222 HB2 HIS 10 1HB HIS 10 -4.964 -6.994 -10.720 223 HB3 HIS 10 2HB HIS 10 -5.154 -6.710 -12.490 224 HD1 HIS 10 HD1 HIS 10 -6.567 -8.605 -13.808 225 HD2 HIS 10 HD2 HIS 10 -6.863 -8.713 -9.595 226 HE1 HIS 10 HE1 HIS 10 -8.654 -9.994 -13.258 227 HE2 HIS 10 H01 HIS 10 -8.813 -10.046 -10.750 228 H LEU 11 H LEU 11 -2.175 -7.078 -10.161 229 HA LEU 11 HA LEU 11 -1.150 -4.896 -11.736 230 HB2 LEU 11 1HB LEU 11 -1.512 -5.122 -9.300 231 HB3 LEU 11 2HB LEU 11 -0.088 -6.160 -9.233 232 HG LEU 11 HG LEU 11 0.282 -3.924 -8.379 233 HD11 LEU 11 1HD1 LEU 11 2.079 -4.357 -10.755 234 HD12 LEU 11 2HD1 LEU 11 2.241 -5.290 -9.234 235 HD13 LEU 11 3HD1 LEU 11 2.491 -3.515 -9.267 236 HD21 LEU 11 3HD2 LEU 11 -1.157 -2.764 -10.052 237 HD22 LEU 11 1HD2 LEU 11 0.219 -2.914 -11.155 238 HD23 LEU 11 2HD2 LEU 11 0.393 -1.993 -9.677 239 H VAL 12 H VAL 12 0.024 -8.117 -10.853 240 HA VAL 12 HA VAL 12 2.640 -7.824 -12.071 241 HB VAL 12 HB VAL 12 1.030 -10.424 -11.525 242 HG11 VAL 12 1HG1 VAL 12 4.038 -10.102 -12.016 243 HG12 VAL 12 2HG1 VAL 12 3.133 -11.601 -11.747 244 HG13 VAL 12 3HG1 VAL 12 2.852 -10.671 -13.236 245 HG21 VAL 12 3HG2 VAL 12 1.554 -9.015 -9.457 246 HG22 VAL 12 1HG2 VAL 12 2.417 -10.580 -9.472 247 HG23 VAL 12 2HG2 VAL 12 3.296 -9.101 -9.901 248 H GLU 13 H GLU 13 -0.480 -9.036 -13.347 249 HA GLU 13 HA GLU 13 0.551 -9.636 -15.979 250 HB2 GLU 13 1HB GLU 13 -1.698 -10.348 -14.959 251 HB3 GLU 13 2HB GLU 13 -2.254 -8.672 -15.186 252 HG2 GLU 13 1HG GLU 13 -1.864 -8.953 -17.689 253 HG3 GLU 13 2HG GLU 13 -1.532 -10.669 -17.385 254 HE2 GLU 13 HE2 GLU 13 -5.142 -9.816 -17.952 255 H ALA 14 H ALA 14 -0.862 -6.612 -14.605 256 HA ALA 14 HA ALA 14 -0.695 -5.222 -17.097 257 HB1 ALA 14 3HB ALA 14 -2.110 -4.377 -15.324 258 HB2 ALA 14 1HB ALA 14 -0.748 -4.353 -14.172 259 HB3 ALA 14 2HB ALA 14 -0.789 -3.207 -15.562 260 H LEU 15 H LEU 15 1.625 -5.708 -14.466 261 HA LEU 15 HA LEU 15 3.616 -3.851 -15.391 262 HB2 LEU 15 1HB LEU 15 3.507 -6.098 -13.513 263 HB3 LEU 15 2HB LEU 15 5.066 -5.951 -14.283 264 HG LEU 15 HG LEU 15 3.757 -3.685 -12.768 265 HD11 LEU 15 1HD1 LEU 15 4.320 -5.644 -11.290 266 HD12 LEU 15 2HD1 LEU 15 5.194 -4.196 -10.918 267 HD13 LEU 15 3HD1 LEU 15 6.029 -5.505 -11.825 268 HD21 LEU 15 3HD2 LEU 15 5.520 -3.106 -14.527 269 HD22 LEU 15 1HD2 LEU 15 6.677 -4.128 -13.652 270 HD23 LEU 15 2HD2 LEU 15 6.069 -2.694 -12.868 271 H TYR 16 H TYR 16 2.889 -7.231 -16.167 272 HA TYR 16 HA TYR 16 5.195 -7.598 -17.937 273 HB2 TYR 16 1HB TYR 16 4.287 -9.578 -17.276 274 HB3 TYR 16 2HB TYR 16 2.586 -9.029 -17.401 275 HD1 TYR 16 HD1 TYR 16 5.546 -9.875 -19.566 276 HD2 TYR 16 HD2 TYR 16 1.239 -9.699 -19.249 277 HE1 TYR 16 HE1 TYR 16 5.329 -10.939 -21.850 278 HE2 TYR 16 HE2 TYR 16 1.017 -10.812 -21.520 279 HH TYR 16 HH TYR 16 3.888 -11.650 -23.516 280 H LEU 17 H LEU 17 1.786 -6.501 -18.512 281 HA LEU 17 HA LEU 17 2.124 -6.402 -21.368 282 HB2 LEU 17 1HB LEU 17 0.349 -4.854 -19.448 283 HB3 LEU 17 2HB LEU 17 0.194 -4.795 -21.212 284 HG LEU 17 HG LEU 17 0.026 -7.373 -19.630 285 HD11 LEU 17 1HD1 LEU 17 -2.214 -5.560 -20.476 286 HD12 LEU 17 2HD1 LEU 17 -1.776 -5.988 -18.845 287 HD13 LEU 17 3HD1 LEU 17 -2.446 -7.233 -19.892 288 HD21 LEU 17 3HD2 LEU 17 0.557 -7.662 -21.994 289 HD22 LEU 17 1HD2 LEU 17 -0.812 -6.637 -22.423 290 HD23 LEU 17 2HD2 LEU 17 -1.102 -8.209 -21.644 291 H VAL 18 H VAL 18 2.586 -3.965 -18.747 292 HA VAL 18 HA VAL 18 3.286 -1.969 -20.758 293 HB VAL 18 HB VAL 18 2.141 -1.466 -18.534 294 HG11 VAL 18 1HG1 VAL 18 3.508 -2.717 -17.063 295 HG12 VAL 18 2HG1 VAL 18 4.871 -1.724 -17.456 296 HG13 VAL 18 3HG1 VAL 18 3.576 -1.005 -16.543 297 HG21 VAL 18 3HG2 VAL 18 4.541 0.233 -19.067 298 HG22 VAL 18 1HG2 VAL 18 3.068 0.223 -20.039 299 HG23 VAL 18 2HG2 VAL 18 2.957 0.713 -18.376 300 H CYS 19 H CYS 19 5.250 -4.188 -18.774 301 HA CYS 19 HA CYS 19 7.529 -2.467 -19.658 302 HB2 CYS 19 1HB CYS 19 6.828 -2.720 -17.145 303 HB3 CYS 19 2HB CYS 19 7.837 -4.150 -17.223 304 H GLY 20 H GLY 20 6.190 -5.503 -20.139 305 HA2 GLY 20 1HA GLY 20 7.195 -6.731 -21.928 306 HA3 GLY 20 2HA GLY 20 8.789 -6.283 -21.325 307 H GLU 21 H GLU 21 9.127 -8.713 -21.618 308 HA GLU 21 HA GLU 21 7.640 -10.620 -20.107 309 HB2 GLU 21 1HB GLU 21 10.331 -10.771 -21.472 310 HB3 GLU 21 2HB GLU 21 9.519 -12.142 -20.659 311 HG2 GLU 21 1HG GLU 21 7.516 -11.574 -22.023 312 HG3 GLU 21 2HG GLU 21 8.529 -10.505 -22.976 313 HE2 GLU 21 HE2 GLU 21 10.028 -11.331 -24.141 314 H ARG 22 H ARG 22 7.687 -9.551 -18.009 315 HA ARG 22 HA ARG 22 8.223 -9.682 -15.814 316 HB2 ARG 22 1HB ARG 22 9.489 -12.350 -16.700 317 HB3 ARG 22 2HB ARG 22 9.227 -11.913 -15.021 318 HG2 ARG 22 1HG ARG 22 7.487 -13.412 -15.619 319 HG3 ARG 22 2HG ARG 22 6.726 -11.810 -15.447 320 HD2 ARG 22 1HD ARG 22 5.819 -12.997 -17.370 321 HD3 ARG 22 2HD ARG 22 6.747 -11.579 -17.941 322 HE ARG 22 HE ARG 22 8.582 -13.591 -18.120 323 HH11 ARG 22 1HH1 ARG 22 5.268 -13.274 -19.369 324 HH12 ARG 22 2HH1 ARG 22 5.557 -14.379 -20.682 325 HH21 ARG 22 1HH2 ARG 22 8.838 -15.061 -19.798 326 HH22 ARG 22 2HH2 ARG 22 7.547 -15.377 -20.915 327 H GLY 23 H GLY 23 10.226 -8.274 -17.363 328 HA2 GLY 23 1HA GLY 23 12.789 -8.943 -16.122 329 HA3 GLY 23 2HA GLY 23 12.489 -7.611 -17.221 330 H PHE 24 H PHE 24 10.199 -7.684 -14.605 331 HA PHE 24 HA PHE 24 11.513 -5.280 -13.579 332 HB2 PHE 24 1HB PHE 24 9.164 -5.423 -12.216 333 HB3 PHE 24 2HB PHE 24 9.466 -4.543 -13.749 334 HD1 PHE 24 HD1 PHE 24 8.656 -5.514 -15.890 335 HD2 PHE 24 HD2 PHE 24 7.873 -7.435 -12.127 336 HE1 PHE 24 HE1 PHE 24 7.002 -6.909 -17.060 337 HE2 PHE 24 HE2 PHE 24 6.096 -8.801 -13.211 338 HZ PHE 24 HZ PHE 24 5.706 -8.614 -15.652 339 H PHE 25 H PHE 25 9.835 -8.205 -12.313 340 HA PHE 25 HA PHE 25 11.518 -8.245 -9.860 341 HB2 PHE 25 1HB PHE 25 8.689 -7.177 -10.058 342 HB3 PHE 25 2HB PHE 25 9.062 -8.211 -8.691 343 HD1 PHE 25 HD2 PHE 25 11.335 -7.685 -7.403 344 HD2 PHE 25 HD1 PHE 25 9.083 -4.855 -9.744 345 HE1 PHE 25 HE2 PHE 25 12.472 -5.851 -6.216 346 HE2 PHE 25 HE1 PHE 25 10.194 -2.968 -8.474 347 HZ PHE 25 HZ PHE 25 11.880 -3.423 -6.730 348 H TYR 26 H TYR 26 9.942 -9.864 -8.365 349 HA TYR 26 HA TYR 26 9.133 -11.992 -8.047 350 HB2 TYR 26 1HB TYR 26 7.767 -11.132 -10.355 351 HB3 TYR 26 2HB TYR 26 8.446 -12.679 -10.888 352 HD1 TYR 26 HD1 TYR 26 8.261 -14.526 -8.638 353 HD2 TYR 26 HD2 TYR 26 5.492 -11.359 -9.732 354 HE1 TYR 26 HE1 TYR 26 6.428 -15.660 -7.462 355 HE2 TYR 26 HE2 TYR 26 3.643 -12.569 -8.522 356 HH TYR 26 HH TYR 26 3.117 -14.519 -7.174 357 H THR 27 H THR 27 11.850 -11.446 -8.768 358 HA THR 27 HA THR 27 12.695 -14.194 -9.473 359 HB THR 27 HB THR 27 14.880 -12.998 -10.328 360 HG1 THR 27 HG1 THR 27 14.104 -10.771 -10.989 361 HG21 THR 27 1HG2 THR 27 12.256 -12.307 -11.679 362 HG22 THR 27 2HG2 THR 27 13.190 -13.856 -11.867 363 HG23 THR 27 3HG2 THR 27 13.869 -12.296 -12.436 364 H LYS 28 H LYS 28 12.967 -15.125 -7.484 365 HA LYS 28 HA LYS 28 14.844 -13.735 -5.589 366 HB2 LYS 28 1HB LYS 28 12.608 -13.171 -4.769 367 HB3 LYS 28 2HB LYS 28 12.075 -14.855 -4.907 368 HG2 LYS 28 1HG LYS 28 13.753 -15.496 -3.166 369 HG3 LYS 28 2HG LYS 28 14.162 -13.793 -2.978 370 HD2 LYS 28 1HD LYS 28 12.025 -13.200 -2.310 371 HD3 LYS 28 2HD LYS 28 11.347 -14.820 -2.719 372 HE2 LYS 28 1HE LYS 28 11.566 -14.853 -0.359 373 HE3 LYS 28 2HE LYS 28 12.955 -15.776 -1.030 374 HZ1 LYS 28 3HZ LYS 28 14.347 -13.958 -0.515 375 HZ2 LYS 28 1HZ LYS 28 13.325 -14.018 0.816 376 HZ3 LYS 28 2HZ LYS 28 13.044 -12.852 -0.311 377 HA PRO 29 HA PRO 29 16.036 -18.038 -5.945 378 HB2 PRO 29 1HB PRO 29 18.157 -18.203 -4.300 379 HB3 PRO 29 2HB PRO 29 18.281 -17.232 -5.800 380 HG2 PRO 29 1HG PRO 29 17.694 -16.302 -3.032 381 HG3 PRO 29 2HG PRO 29 18.939 -15.685 -4.165 382 HD2 PRO 29 1HD PRO 29 16.522 -14.482 -3.879 383 HD3 PRO 29 2HD PRO 29 17.205 -14.629 -5.539 384 H THR 30 H THR 30 13.823 -18.486 -4.793 385 HA THR 30 HA THR 30 14.137 -18.992 -1.868 386 HB THR 30 HB THR 30 12.199 -17.736 -2.338 387 HG1 THR 30 HG1 THR 30 11.010 -20.242 -2.184 388 HG21 THR 30 1HG2 THR 30 11.845 -17.911 -4.659 389 HG22 THR 30 2HG2 THR 30 10.332 -18.393 -3.842 390 HG23 THR 30 3HG2 THR 30 11.440 -19.621 -4.524 391 HXT THR 30 H02 THR 30 14.176 -22.265 -2.021 Start of MODEL 35 1 H1 GLY 1 1H GLY 1 3.424 -0.279 0.514 2 H2 GLY 1 2H GLY 1 4.273 -0.179 -0.888 3 HA2 GLY 1 1HA GLY 1 1.849 1.226 -0.070 4 HA3 GLY 1 2HA GLY 1 3.341 1.882 -0.897 5 H ILE 2 H ILE 2 2.810 -0.807 -2.353 6 HA ILE 2 HA ILE 2 2.025 0.247 -4.912 7 HB ILE 2 HB ILE 2 1.839 -2.679 -4.012 8 HG12 ILE 2 1HG1 ILE 2 4.201 -1.243 -5.291 9 HG13 ILE 2 2HG1 ILE 2 4.096 -1.641 -3.593 10 HG21 ILE 2 1HG2 ILE 2 2.233 -1.490 -6.845 11 HG22 ILE 2 2HG2 ILE 2 2.147 -3.224 -6.475 12 HG23 ILE 2 3HG2 ILE 2 0.730 -2.226 -6.287 13 HD11 ILE 2 3HD1 ILE 2 4.272 -3.621 -5.889 14 HD12 ILE 2 1HD1 ILE 2 5.514 -3.220 -4.718 15 HD13 ILE 2 2HD1 ILE 2 4.043 -4.070 -4.192 16 H VAL 3 H VAL 3 0.068 -1.786 -2.645 17 HA VAL 3 HA VAL 3 -2.223 -1.569 -4.356 18 HB VAL 3 HB VAL 3 -3.466 -2.743 -2.532 19 HG11 VAL 3 1HG1 VAL 3 -2.326 -4.756 -2.636 20 HG12 VAL 3 2HG1 VAL 3 -1.504 -3.903 -3.951 21 HG13 VAL 3 3HG1 VAL 3 -0.740 -4.039 -2.365 22 HG21 VAL 3 3HG2 VAL 3 -2.208 -3.276 -0.336 23 HG22 VAL 3 1HG2 VAL 3 -1.062 -2.010 -0.818 24 HG23 VAL 3 2HG2 VAL 3 -2.718 -1.594 -0.522 25 H GLU 4 H GLU 4 -0.935 0.304 -1.688 26 HA GLU 4 HA GLU 4 -3.304 1.850 -1.135 27 HB2 GLU 4 1HB GLU 4 -0.330 2.311 -0.748 28 HB3 GLU 4 2HB GLU 4 -1.552 3.420 -0.120 29 HG2 GLU 4 1HG GLU 4 -2.558 1.502 1.243 30 HG3 GLU 4 2HG GLU 4 -1.332 0.407 0.573 31 HE2 GLU 4 HE2 GLU 4 -0.522 2.976 3.434 32 H GLN 5 H GLN 5 -0.625 2.197 -3.417 33 HA GLN 5 HA GLN 5 -1.462 4.783 -4.259 34 HB2 GLN 5 1HB GLN 5 0.931 3.802 -4.261 35 HB3 GLN 5 2HB GLN 5 0.443 2.807 -5.638 36 HG2 GLN 5 1HG GLN 5 -0.112 4.882 -6.921 37 HG3 GLN 5 2HG GLN 5 0.456 5.863 -5.545 38 HE21 GLN 5 2HE2 GLN 5 1.415 5.391 -8.461 39 HE22 GLN 5 1HE2 GLN 5 3.138 5.078 -8.222 40 H CYS 6 H CYS 6 -1.981 1.429 -5.490 41 HA CYS 6 HA CYS 6 -3.400 2.595 -7.843 42 HB2 CYS 6 1HB CYS 6 -1.134 0.710 -7.629 43 HB3 CYS 6 2HB CYS 6 -2.491 0.148 -8.663 44 H CYS 7 H CYS 7 -3.652 0.035 -5.422 45 HA CYS 7 HA CYS 7 -5.570 -1.462 -7.007 46 HB2 CYS 7 1HB CYS 7 -4.124 -2.564 -5.303 47 HB3 CYS 7 2HB CYS 7 -5.023 -1.679 -4.005 48 H THR 8 H THR 8 -5.609 1.126 -4.616 49 HA THR 8 HA THR 8 -8.603 1.127 -4.684 50 HB THR 8 HB THR 8 -7.676 1.647 -2.483 51 HG1 THR 8 HG1 THR 8 -8.393 3.985 -2.432 52 HG21 THR 8 1HG2 THR 8 -6.056 3.779 -3.984 53 HG22 THR 8 2HG2 THR 8 -5.465 2.429 -3.004 54 HG23 THR 8 3HG2 THR 8 -6.269 3.803 -2.217 55 H SER 9 H SER 9 -9.742 2.871 -5.679 56 HA SER 9 HA SER 9 -10.262 4.105 -7.530 57 HB2 SER 9 1HB SER 9 -8.827 5.739 -6.157 58 HB3 SER 9 2HB SER 9 -7.576 5.439 -7.389 59 HG SER 9 HG SER 9 -9.405 7.186 -7.539 60 H ILE 10 H ILE 10 -8.468 5.106 -9.636 61 HA ILE 10 HA ILE 10 -8.202 2.466 -11.066 62 HB ILE 10 HB ILE 10 -8.396 5.335 -12.239 63 HG12 ILE 10 1HG1 ILE 10 -10.505 4.614 -11.299 64 HG13 ILE 10 2HG1 ILE 10 -10.615 4.680 -13.052 65 HG21 ILE 10 1HG2 ILE 10 -8.760 4.159 -14.424 66 HG22 ILE 10 2HG2 ILE 10 -7.124 3.963 -13.765 67 HG23 ILE 10 3HG2 ILE 10 -8.287 2.636 -13.659 68 HD11 ILE 10 3HD1 ILE 10 -10.525 2.210 -13.219 69 HD12 ILE 10 1HD1 ILE 10 -10.287 2.084 -11.457 70 HD13 ILE 10 2HD1 ILE 10 -11.825 2.684 -12.106 71 H CYS 11 H CYS 11 -6.277 1.641 -11.439 72 HA CYS 11 HA CYS 11 -3.915 3.285 -10.788 73 HB2 CYS 11 1HB CYS 11 -4.125 0.834 -10.265 74 HB3 CYS 11 2HB CYS 11 -4.125 0.459 -12.005 75 H SER 12 H SER 12 -2.822 4.485 -12.202 76 HA SER 12 HA SER 12 -3.557 4.270 -15.105 77 HB2 SER 12 1HB SER 12 -1.735 6.142 -13.543 78 HB3 SER 12 2HB SER 12 -2.172 6.342 -15.263 79 HG SER 12 HG SER 12 -3.467 7.587 -13.731 80 H LEU 13 H LEU 13 -2.039 3.890 -16.801 81 HA LEU 13 HA LEU 13 0.005 1.979 -16.308 82 HB2 LEU 13 1HB LEU 13 0.524 2.193 -18.777 83 HB3 LEU 13 2HB LEU 13 -1.089 1.749 -18.334 84 HG LEU 13 HG LEU 13 -0.823 3.147 -20.268 85 HD11 LEU 13 1HD1 LEU 13 -2.888 3.412 -18.791 86 HD12 LEU 13 2HD1 LEU 13 -2.594 4.722 -20.024 87 HD13 LEU 13 3HD1 LEU 13 -2.262 5.028 -18.318 88 HD21 LEU 13 3HD2 LEU 13 -0.100 5.363 -20.637 89 HD22 LEU 13 1HD2 LEU 13 1.191 4.408 -19.791 90 HD23 LEU 13 2HD2 LEU 13 0.197 5.609 -18.875 91 H TYR 14 H TYR 14 0.306 5.468 -16.695 92 HA TYR 14 HA TYR 14 3.150 5.614 -16.570 93 HB2 TYR 14 1HB TYR 14 1.630 7.636 -16.767 94 HB3 TYR 14 2HB TYR 14 1.117 7.392 -15.092 95 HD1 TYR 14 HD1 TYR 14 4.299 7.815 -17.059 96 HD2 TYR 14 HD2 TYR 14 2.123 8.547 -13.413 97 HE1 TYR 14 HE1 TYR 14 6.106 9.191 -16.278 98 HE2 TYR 14 HE2 TYR 14 3.828 10.577 -13.257 99 HH TYR 14 HH TYR 14 7.034 9.962 -13.395 100 H GLN 15 H GLN 15 0.843 5.014 -13.889 101 HA GLN 15 HA GLN 15 2.784 5.385 -11.817 102 HB2 GLN 15 1HB GLN 15 0.014 4.093 -11.816 103 HB3 GLN 15 2HB GLN 15 0.948 4.280 -10.351 104 HG2 GLN 15 1HG GLN 15 0.920 6.725 -10.602 105 HG3 GLN 15 2HG GLN 15 -0.027 6.568 -12.084 106 HE21 GLN 15 2HE2 GLN 15 -0.330 7.116 -8.770 107 HE22 GLN 15 1HE2 GLN 15 -2.000 6.601 -8.581 108 H LEU 16 H LEU 16 1.251 2.711 -13.509 109 HA LEU 16 HA LEU 16 2.441 0.545 -12.071 110 HB2 LEU 16 1HB LEU 16 1.505 0.853 -14.983 111 HB3 LEU 16 2HB LEU 16 2.321 -0.583 -14.421 112 HG LEU 16 HG LEU 16 -0.220 0.415 -13.147 113 HD11 LEU 16 1HD1 LEU 16 0.177 -1.819 -15.180 114 HD12 LEU 16 2HD1 LEU 16 -0.565 -0.217 -15.504 115 HD13 LEU 16 3HD1 LEU 16 -1.368 -1.328 -14.395 116 HD21 LEU 16 3HD2 LEU 16 1.250 -2.221 -12.973 117 HD22 LEU 16 1HD2 LEU 16 -0.334 -1.872 -12.266 118 HD23 LEU 16 2HD2 LEU 16 1.075 -1.008 -11.690 119 H GLU 17 H GLU 17 3.843 2.414 -14.819 120 HA GLU 17 HA GLU 17 5.962 0.556 -15.175 121 HB2 GLU 17 1HB GLU 17 5.613 3.471 -15.898 122 HB3 GLU 17 2HB GLU 17 7.222 2.767 -15.912 123 HG2 GLU 17 1HG GLU 17 6.323 0.880 -17.295 124 HG3 GLU 17 2HG GLU 17 4.826 1.857 -17.486 125 HE2 GLU 17 HE2 GLU 17 7.833 2.287 -19.809 126 H ASN 18 H ASN 18 5.443 2.820 -12.557 127 HA ASN 18 HA ASN 18 8.272 3.328 -12.031 128 HB2 ASN 18 1HB ASN 18 5.669 3.634 -10.416 129 HB3 ASN 18 2HB ASN 18 7.225 3.840 -9.656 130 HD21 ASN 18 2HD2 ASN 18 5.693 5.887 -9.490 131 HD22 ASN 18 1HD2 ASN 18 6.223 7.208 -10.542 132 H TYR 19 H TYR 19 6.112 0.552 -11.573 133 HA TYR 19 HA TYR 19 7.741 -0.561 -9.373 134 HB2 TYR 19 1HB TYR 19 5.447 -1.741 -10.994 135 HB3 TYR 19 2HB TYR 19 6.130 -2.391 -9.490 136 HD1 TYR 19 HD2 TYR 19 6.170 -0.317 -7.569 137 HD2 TYR 19 HD1 TYR 19 3.273 -0.937 -10.739 138 HE1 TYR 19 HE2 TYR 19 4.439 1.023 -6.344 139 HE2 TYR 19 HE1 TYR 19 1.565 0.370 -9.445 140 HH TYR 19 HH TYR 19 1.092 1.489 -7.473 141 H CYS 20 H CYS 20 8.470 -0.142 -12.577 142 HA CYS 20 HA CYS 20 9.220 -2.913 -13.169 143 HB2 CYS 20 1HB CYS 20 10.068 -0.298 -14.447 144 HB3 CYS 20 2HB CYS 20 10.496 -1.914 -14.983 145 H ASN 21 H ASN 21 10.346 -0.439 -11.110 146 HA ASN 21 HA ASN 21 13.050 -1.669 -10.968 147 HB2 ASN 21 1HB ASN 21 13.177 0.599 -10.223 148 HB3 ASN 21 2HB ASN 21 11.624 0.524 -9.342 149 HD21 ASN 21 2HD2 ASN 21 11.696 -0.138 -7.291 150 HD22 ASN 21 1HD2 ASN 21 13.142 -0.544 -6.439 151 HXT ASN 21 H02 ASN 21 10.444 -3.108 -8.423 152 H1 PHE 1 1H PHE 1 -4.196 0.869 -23.413 153 H2 PHE 1 2H PHE 1 -5.774 1.266 -23.274 154 HA PHE 1 HA PHE 1 -4.737 -1.022 -21.740 155 HB2 PHE 1 1HB PHE 1 -3.072 0.869 -21.617 156 HB3 PHE 1 2HB PHE 1 -4.254 1.931 -20.827 157 HD1 PHE 1 HD1 PHE 1 -2.106 -1.125 -20.574 158 HD2 PHE 1 HD2 PHE 1 -4.911 1.378 -18.489 159 HE1 PHE 1 HE1 PHE 1 -1.438 -2.221 -18.393 160 HE2 PHE 1 HE2 PHE 1 -4.256 0.352 -16.278 161 HZ PHE 1 HZ PHE 1 -2.591 -1.399 -16.249 162 H VAL 2 H VAL 2 -5.857 -1.379 -19.888 163 HA VAL 2 HA VAL 2 -8.623 -0.397 -20.115 164 HB VAL 2 HB VAL 2 -7.543 -2.826 -18.555 165 HG11 VAL 2 1HG1 VAL 2 -10.035 -3.443 -18.544 166 HG12 VAL 2 2HG1 VAL 2 -9.492 -2.104 -17.456 167 HG13 VAL 2 3HG1 VAL 2 -10.329 -1.736 -18.976 168 HG21 VAL 2 3HG2 VAL 2 -7.353 -3.262 -20.948 169 HG22 VAL 2 1HG2 VAL 2 -8.757 -4.160 -20.346 170 HG23 VAL 2 2HG2 VAL 2 -8.983 -2.662 -21.253 171 H ASN 3 H ASN 3 -9.279 1.098 -18.775 172 HA ASN 3 HA ASN 3 -7.732 1.844 -16.365 173 HB2 ASN 3 1HB ASN 3 -10.348 2.827 -17.639 174 HB3 ASN 3 2HB ASN 3 -9.800 3.400 -16.059 175 HD21 ASN 3 2HD2 ASN 3 -9.992 4.283 -19.128 176 HD22 ASN 3 1HD2 ASN 3 -8.528 5.204 -19.328 177 H GLN 4 H GLN 4 -7.899 0.098 -14.883 178 HA GLN 4 HA GLN 4 -10.528 -0.203 -13.536 179 HB2 GLN 4 1HB GLN 4 -9.252 -2.183 -15.210 180 HB3 GLN 4 2HB GLN 4 -9.512 -2.781 -13.566 181 HG2 GLN 4 1HG GLN 4 -11.922 -1.592 -13.968 182 HG3 GLN 4 2HG GLN 4 -11.458 -1.932 -15.679 183 HE21 GLN 4 2HE2 GLN 4 -13.439 -2.934 -13.636 184 HE22 GLN 4 1HE2 GLN 4 -13.265 -4.674 -13.740 185 H HIS 5 H HIS 5 -10.279 -1.705 -11.566 186 HA HIS 5 HA HIS 5 -7.965 -0.805 -10.001 187 HB2 HIS 5 1HB HIS 5 -10.054 -2.721 -8.909 188 HB3 HIS 5 2HB HIS 5 -9.160 -1.461 -8.019 189 HD1 HIS 5 HD1 HIS 5 -9.988 1.105 -8.582 190 HD2 HIS 5 HD2 HIS 5 -12.513 -2.002 -9.757 191 HE1 HIS 5 HE1 HIS 5 -12.273 2.131 -9.022 192 HE2 HIS 5 H01 HIS 5 -13.813 0.269 -9.726 193 H LEU 6 H LEU 6 -6.540 -1.976 -11.459 194 HA LEU 6 HA LEU 6 -6.603 -4.884 -11.606 195 HB2 LEU 6 1HB LEU 6 -4.529 -2.801 -12.509 196 HB3 LEU 6 2HB LEU 6 -4.429 -4.546 -12.824 197 HG LEU 6 HG LEU 6 -6.696 -2.808 -13.813 198 HD11 LEU 6 1HD1 LEU 6 -4.797 -1.979 -14.927 199 HD12 LEU 6 2HD1 LEU 6 -5.576 -3.129 -16.054 200 HD13 LEU 6 3HD1 LEU 6 -4.126 -3.629 -15.146 201 HD21 LEU 6 3HD2 LEU 6 -7.358 -5.124 -13.658 202 HD22 LEU 6 1HD2 LEU 6 -5.878 -5.621 -14.523 203 HD23 LEU 6 2HD2 LEU 6 -7.135 -4.680 -15.343 204 H CYS 7 H CYS 7 -6.455 -5.600 -9.503 205 HA CYS 7 HA CYS 7 -3.951 -4.948 -8.015 206 HB2 CYS 7 1HB CYS 7 -6.471 -6.362 -7.098 207 HB3 CYS 7 2HB CYS 7 -5.158 -5.750 -6.080 208 H AIB 8 H AIB 8 -3.399 -6.957 -6.514 209 HB11 AIB 8 1HB1 AIB 8 -3.934 -10.909 -6.606 210 HB12 AIB 8 3HB1 AIB 8 -4.904 -9.896 -7.686 211 HB13 AIB 8 1HB2 AIB 8 -4.782 -9.524 -5.975 212 HB21 AIB 8 3HB2 AIB 8 -1.817 -9.980 -5.589 213 HB22 AIB 8 2HB1 AIB 8 -2.475 -8.471 -4.999 214 HB23 AIB 8 2HB2 AIB 8 -1.102 -8.489 -6.126 215 H SER 9 H SER 9 -2.991 -11.372 -8.247 216 HA SER 9 HA SER 9 -0.653 -11.337 -9.791 217 HB2 SER 9 1HB SER 9 -2.084 -13.304 -9.311 218 HB3 SER 9 2HB SER 9 -3.388 -12.652 -10.325 219 HG SER 9 HG SER 9 -1.835 -14.267 -11.188 220 H HIS 10 H HIS 10 -3.838 -9.942 -10.703 221 HA HIS 10 HA HIS 10 -3.120 -9.536 -13.420 222 HB2 HIS 10 1HB HIS 10 -5.238 -8.170 -11.712 223 HB3 HIS 10 2HB HIS 10 -5.144 -8.091 -13.497 224 HD1 HIS 10 HD1 HIS 10 -7.754 -9.162 -12.857 225 HD2 HIS 10 HD2 HIS 10 -4.383 -11.610 -12.884 226 HE1 HIS 10 HE1 HIS 10 -8.558 -11.569 -13.091 227 HE2 HIS 10 H01 HIS 10 -6.533 -13.029 -13.142 228 H LEU 11 H LEU 11 -2.275 -7.792 -10.506 229 HA LEU 11 HA LEU 11 -1.757 -5.267 -11.858 230 HB2 LEU 11 1HB LEU 11 -2.139 -5.554 -9.425 231 HB3 LEU 11 2HB LEU 11 -0.557 -6.296 -9.299 232 HG LEU 11 HG LEU 11 -0.867 -3.539 -10.401 233 HD11 LEU 11 1HD1 LEU 11 -0.591 -2.642 -8.120 234 HD12 LEU 11 2HD1 LEU 11 -0.738 -4.290 -7.465 235 HD13 LEU 11 3HD1 LEU 11 -2.086 -3.517 -8.320 236 HD21 LEU 11 3HD2 LEU 11 1.355 -4.929 -8.843 237 HD22 LEU 11 1HD2 LEU 11 1.374 -3.259 -9.417 238 HD23 LEU 11 2HD2 LEU 11 1.382 -4.543 -10.597 239 H VAL 12 H VAL 12 -0.007 -8.150 -11.021 240 HA VAL 12 HA VAL 12 2.585 -7.196 -11.877 241 HB VAL 12 HB VAL 12 1.515 -10.079 -11.669 242 HG11 VAL 12 1HG1 VAL 12 4.345 -8.941 -11.666 243 HG12 VAL 12 2HG1 VAL 12 3.954 -10.605 -11.159 244 HG13 VAL 12 3HG1 VAL 12 3.618 -10.072 -12.851 245 HG21 VAL 12 3HG2 VAL 12 2.723 -9.943 -9.356 246 HG22 VAL 12 1HG2 VAL 12 2.565 -8.204 -9.541 247 HG23 VAL 12 2HG2 VAL 12 1.109 -9.250 -9.499 248 H GLU 13 H GLU 13 -0.083 -9.035 -13.374 249 HA GLU 13 HA GLU 13 1.191 -9.542 -15.852 250 HB2 GLU 13 1HB GLU 13 -1.052 -10.475 -15.103 251 HB3 GLU 13 2HB GLU 13 -1.706 -8.827 -15.197 252 HG2 GLU 13 1HG GLU 13 -1.324 -8.853 -17.648 253 HG3 GLU 13 2HG GLU 13 -0.699 -10.515 -17.541 254 HE2 GLU 13 HE2 GLU 13 -2.310 -10.708 -19.019 255 H ALA 14 H ALA 14 -0.718 -6.727 -14.695 256 HA ALA 14 HA ALA 14 -0.691 -5.310 -17.190 257 HB1 ALA 14 3HB ALA 14 -2.284 -4.824 -15.465 258 HB2 ALA 14 1HB ALA 14 -0.976 -4.394 -14.373 259 HB3 ALA 14 2HB ALA 14 -1.297 -3.430 -15.839 260 H LEU 15 H LEU 15 1.517 -5.338 -14.399 261 HA LEU 15 HA LEU 15 3.096 -3.080 -15.072 262 HB2 LEU 15 1HB LEU 15 2.784 -4.387 -12.897 263 HB3 LEU 15 2HB LEU 15 3.843 -5.606 -13.575 264 HG LEU 15 HG LEU 15 4.401 -2.912 -12.489 265 HD11 LEU 15 1HD1 LEU 15 6.234 -4.358 -11.408 266 HD12 LEU 15 2HD1 LEU 15 5.638 -5.725 -12.349 267 HD13 LEU 15 3HD1 LEU 15 4.600 -4.996 -11.132 268 HD21 LEU 15 3HD2 LEU 15 6.658 -2.773 -13.262 269 HD22 LEU 15 1HD2 LEU 15 5.604 -2.799 -14.678 270 HD23 LEU 15 2HD2 LEU 15 6.461 -4.308 -14.213 271 H TYR 16 H TYR 16 3.346 -6.570 -15.846 272 HA TYR 16 HA TYR 16 5.799 -6.480 -17.335 273 HB2 TYR 16 1HB TYR 16 4.758 -8.538 -16.499 274 HB3 TYR 16 2HB TYR 16 3.345 -8.336 -17.533 275 HD1 TYR 16 HD1 TYR 16 7.130 -8.785 -17.632 276 HD2 TYR 16 HD2 TYR 16 3.351 -9.232 -19.769 277 HE1 TYR 16 HE1 TYR 16 8.292 -10.023 -19.415 278 HE2 TYR 16 HE2 TYR 16 4.544 -10.565 -21.513 279 HH TYR 16 HH TYR 16 8.119 -11.020 -21.479 280 H LEU 17 H LEU 17 2.343 -6.200 -18.242 281 HA LEU 17 HA LEU 17 2.883 -6.035 -21.087 282 HB2 LEU 17 1HB LEU 17 0.514 -4.935 -19.486 283 HB3 LEU 17 2HB LEU 17 0.644 -4.974 -21.256 284 HG LEU 17 HG LEU 17 0.930 -7.486 -19.631 285 HD11 LEU 17 1HD1 LEU 17 -1.595 -6.137 -20.707 286 HD12 LEU 17 2HD1 LEU 17 -1.286 -6.609 -19.029 287 HD13 LEU 17 3HD1 LEU 17 -1.549 -7.837 -20.305 288 HD21 LEU 17 3HD2 LEU 17 0.161 -6.909 -22.522 289 HD22 LEU 17 1HD2 LEU 17 0.210 -8.522 -21.797 290 HD23 LEU 17 2HD2 LEU 17 1.715 -7.582 -21.989 291 H VAL 18 H VAL 18 2.631 -3.474 -18.615 292 HA VAL 18 HA VAL 18 2.853 -1.403 -20.605 293 HB VAL 18 HB VAL 18 3.085 0.240 -18.825 294 HG11 VAL 18 1HG1 VAL 18 0.797 -0.563 -19.376 295 HG12 VAL 18 2HG1 VAL 18 0.918 -1.822 -18.120 296 HG13 VAL 18 3HG1 VAL 18 0.872 -0.127 -17.671 297 HG21 VAL 18 3HG2 VAL 18 4.497 -0.926 -17.191 298 HG22 VAL 18 1HG2 VAL 18 3.041 -0.352 -16.407 299 HG23 VAL 18 2HG2 VAL 18 3.183 -2.058 -16.855 300 H CYS 19 H CYS 19 5.209 -3.096 -18.539 301 HA CYS 19 HA CYS 19 7.500 -1.358 -19.173 302 HB2 CYS 19 1HB CYS 19 7.017 -3.546 -17.424 303 HB3 CYS 19 2HB CYS 19 8.226 -4.109 -18.527 304 H GLY 20 H GLY 20 5.714 -3.903 -20.636 305 HA2 GLY 20 1HA GLY 20 5.825 -4.311 -22.941 306 HA3 GLY 20 2HA GLY 20 7.512 -3.870 -22.986 307 H GLU 21 H GLU 21 7.023 -6.211 -24.254 308 HA GLU 21 HA GLU 21 7.320 -8.567 -22.632 309 HB2 GLU 21 1HB GLU 21 8.058 -8.006 -25.513 310 HB3 GLU 21 2HB GLU 21 8.118 -9.603 -24.748 311 HG2 GLU 21 1HG GLU 21 5.685 -9.470 -24.324 312 HG3 GLU 21 2HG GLU 21 5.666 -7.828 -24.984 313 HE2 GLU 21 HE2 GLU 21 4.767 -10.498 -27.345 314 H ARG 22 H ARG 22 9.327 -5.981 -23.200 315 HA ARG 22 HA ARG 22 11.957 -7.263 -23.164 316 HB2 ARG 22 1HB ARG 22 11.033 -4.400 -22.518 317 HB3 ARG 22 2HB ARG 22 12.671 -4.970 -22.702 318 HG2 ARG 22 1HG ARG 22 12.604 -4.354 -24.768 319 HG3 ARG 22 2HG ARG 22 11.607 -5.780 -25.015 320 HD2 ARG 22 1HD ARG 22 10.416 -3.989 -26.041 321 HD3 ARG 22 2HD ARG 22 9.546 -4.361 -24.531 322 HE ARG 22 HE ARG 22 11.584 -2.303 -24.153 323 HH11 ARG 22 1HH1 ARG 22 8.313 -2.671 -25.482 324 HH12 ARG 22 2HH1 ARG 22 7.975 -0.962 -25.358 325 HH21 ARG 22 1HH2 ARG 22 11.088 -0.132 -24.086 326 HH22 ARG 22 2HH2 ARG 22 9.499 0.424 -24.562 327 H GLY 23 H GLY 23 9.519 -6.215 -20.797 328 HA2 GLY 23 1HA GLY 23 9.371 -7.144 -18.651 329 HA3 GLY 23 2HA GLY 23 10.996 -7.789 -18.841 330 H PHE 24 H PHE 24 10.572 -7.130 -16.498 331 HA PHE 24 HA PHE 24 11.343 -4.351 -16.018 332 HB2 PHE 24 1HB PHE 24 11.225 -5.765 -13.567 333 HB3 PHE 24 2HB PHE 24 9.989 -4.755 -14.243 334 HD1 PHE 24 HD2 PHE 24 11.244 -8.310 -14.431 335 HD2 PHE 24 HD1 PHE 24 7.868 -5.686 -14.660 336 HE1 PHE 24 HE2 PHE 24 9.773 -10.291 -14.542 337 HE2 PHE 24 HE1 PHE 24 6.307 -7.601 -14.695 338 HZ PHE 24 HZ PHE 24 7.252 -9.908 -14.705 339 H PHE 25 H PHE 25 12.845 -5.995 -13.530 340 HA PHE 25 HA PHE 25 15.455 -5.782 -14.830 341 HB2 PHE 25 1HB PHE 25 14.609 -6.826 -12.088 342 HB3 PHE 25 2HB PHE 25 16.299 -6.743 -12.677 343 HD1 PHE 25 HD1 PHE 25 16.094 -4.055 -14.140 344 HD2 PHE 25 HD2 PHE 25 14.787 -5.370 -10.232 345 HE1 PHE 25 HE1 PHE 25 16.213 -1.755 -13.325 346 HE2 PHE 25 HE2 PHE 25 15.006 -3.027 -9.433 347 HZ PHE 25 HZ PHE 25 15.677 -1.211 -10.903 348 H TYR 26 H TYR 26 15.985 -7.176 -16.274 349 HA TYR 26 HA TYR 26 16.054 -10.092 -15.468 350 HB2 TYR 26 1HB TYR 26 16.338 -8.786 -18.197 351 HB3 TYR 26 2HB TYR 26 16.568 -10.507 -17.818 352 HD1 TYR 26 HD2 TYR 26 14.066 -10.386 -15.750 353 HD2 TYR 26 HD1 TYR 26 14.575 -9.371 -19.877 354 HE1 TYR 26 HE2 TYR 26 11.668 -10.813 -16.151 355 HE2 TYR 26 HE1 TYR 26 12.161 -9.820 -20.318 356 HH TYR 26 HH TYR 26 10.087 -10.330 -19.233 357 H THR 27 H THR 27 17.644 -7.468 -14.827 358 HA THR 27 HA THR 27 20.274 -7.930 -15.946 359 HB THR 27 HB THR 27 20.773 -6.114 -14.146 360 HG1 THR 27 HG1 THR 27 18.840 -5.055 -13.408 361 HG21 THR 27 1HG2 THR 27 20.510 -5.616 -16.648 362 HG22 THR 27 2HG2 THR 27 19.916 -4.304 -15.620 363 HG23 THR 27 3HG2 THR 27 18.750 -5.422 -16.373 364 H LYS 28 H LYS 28 20.860 -10.081 -15.097 365 HA LYS 28 HA LYS 28 20.738 -10.383 -12.177 366 HB2 LYS 28 1HB LYS 28 22.093 -12.065 -14.382 367 HB3 LYS 28 2HB LYS 28 22.218 -12.415 -12.650 368 HG2 LYS 28 1HG LYS 28 19.782 -12.679 -12.515 369 HG3 LYS 28 2HG LYS 28 19.687 -12.494 -14.294 370 HD2 LYS 28 1HD LYS 28 20.980 -14.465 -14.640 371 HD3 LYS 28 2HD LYS 28 21.468 -14.579 -12.951 372 HE2 LYS 28 1HE LYS 28 19.784 -16.259 -13.301 373 HE3 LYS 28 2HE LYS 28 18.985 -14.950 -12.363 374 HZ1 LYS 28 3HZ LYS 28 18.131 -14.083 -14.382 375 HZ2 LYS 28 1HZ LYS 28 17.653 -15.708 -14.241 376 HZ3 LYS 28 2HZ LYS 28 18.875 -15.261 -15.287 377 HA PRO 29 HA PRO 29 24.678 -8.332 -11.514 378 HB2 PRO 29 1HB PRO 29 25.316 -9.255 -9.019 379 HB3 PRO 29 2HB PRO 29 23.996 -8.063 -9.360 380 HG2 PRO 29 1HG PRO 29 23.823 -10.993 -8.849 381 HG3 PRO 29 2HG PRO 29 22.866 -9.656 -8.164 382 HD2 PRO 29 1HD PRO 29 22.071 -11.222 -10.269 383 HD3 PRO 29 2HD PRO 29 21.553 -9.532 -10.065 384 H THR 30 H THR 30 25.882 -9.373 -13.089 385 HA THR 30 HA THR 30 26.992 -11.986 -12.804 386 HB THR 30 HB THR 30 26.764 -11.096 -15.037 387 HG1 THR 30 HG1 THR 30 28.930 -11.267 -15.754 388 HG21 THR 30 1HG2 THR 30 28.826 -8.858 -14.415 389 HG22 THR 30 2HG2 THR 30 27.075 -8.568 -14.471 390 HG23 THR 30 3HG2 THR 30 27.979 -9.097 -15.926 391 HXT THR 30 H02 THR 30 28.322 -12.655 -11.809
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