NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
15732 | 1yva | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H THR 1 1HT THR 1 -8.074 -4.009 3.139 2 2H THR 1 2HT THR 1 -7.418 -2.446 3.227 3 3H THR 1 3HT THR 1 -8.260 -3.091 4.554 4 HA THR 1 HA THR 1 -6.171 -3.527 5.301 5 HB THR 1 HB THR 1 -7.042 -5.691 3.383 6 HG1 THR 1 1HG THR 1 -8.196 -5.241 5.344 7 1HG2 THR 1 1HG2 THR 1 -4.495 -5.440 4.879 8 2HG2 THR 1 2HG2 THR 1 -4.865 -6.381 3.435 9 3HG2 THR 1 3HG2 THR 1 -5.324 -6.990 5.026 10 H THR 2 H THR 2 -3.924 -3.361 4.912 11 HA THR 2 HA THR 2 -3.166 -2.312 2.255 12 HB THR 2 HB THR 2 -1.669 -2.659 4.874 13 HG1 THR 2 1HG THR 2 -2.807 -0.995 5.396 14 1HG2 THR 2 1HG2 THR 2 0.025 -2.447 3.279 15 2HG2 THR 2 2HG2 THR 2 -0.275 -0.766 3.720 16 3HG2 THR 2 3HG2 THR 2 -0.956 -1.422 2.231 17 H CYS 3 H CYS 3 -2.004 -3.495 0.765 18 HA CYS 3 HA CYS 3 -0.654 -6.005 1.677 19 1HB CYS 3 2HB CYS 3 -2.430 -5.708 -0.766 20 2HB CYS 3 1HB CYS 3 -1.693 -7.197 -0.175 21 H CYS 4 H CYS 4 1.407 -4.981 1.364 22 HA CYS 4 HA CYS 4 2.001 -4.004 -1.398 23 1HB CYS 4 2HB CYS 4 3.617 -3.765 1.154 24 2HB CYS 4 1HB CYS 4 3.827 -2.835 -0.330 25 HA PRO 5 HA PRO 5 4.549 -7.445 -2.304 26 1HB PRO 5 2HB PRO 5 6.628 -6.266 -3.639 27 2HB PRO 5 1HB PRO 5 5.005 -6.449 -4.334 28 1HG PRO 5 2HG PRO 5 6.254 -4.063 -3.057 29 2HG PRO 5 1HG PRO 5 5.235 -4.162 -4.503 30 1HD PRO 5 2HD PRO 5 4.283 -3.365 -2.096 31 2HD PRO 5 1HD PRO 5 3.286 -4.231 -3.286 32 H SER 6 H SER 6 5.710 -4.977 -0.186 33 HA SER 6 HA SER 6 7.323 -6.738 1.352 34 1HB SER 6 2HB SER 6 8.529 -5.593 -1.089 35 2HB SER 6 1HB SER 6 9.519 -5.436 0.360 36 HG SER 6 HG SER 6 9.637 -7.462 -0.975 37 H ILE 7 H ILE 7 9.290 -5.188 2.371 38 HA ILE 7 HA ILE 7 7.921 -3.216 3.943 39 HB ILE 7 HB ILE 7 10.875 -3.661 3.397 40 1HG1 ILE 7 2HG1 ILE 7 9.420 -5.645 4.188 41 2HG1 ILE 7 1HG1 ILE 7 10.855 -5.270 5.140 42 1HG2 ILE 7 1HG2 ILE 7 10.443 -1.529 4.528 43 2HG2 ILE 7 2HG2 ILE 7 11.166 -2.674 5.659 44 3HG2 ILE 7 3HG2 ILE 7 9.434 -2.346 5.722 45 1HD1 ILE 7 1HD1 ILE 7 8.253 -3.965 5.862 46 2HD1 ILE 7 2HD1 ILE 7 9.622 -4.370 6.896 47 3HD1 ILE 7 3HD1 ILE 7 8.531 -5.641 6.341 48 H VAL 8 H VAL 8 9.884 -3.018 1.000 49 HA VAL 8 HA VAL 8 10.420 -0.254 0.890 50 HB VAL 8 HB VAL 8 9.632 -2.202 -1.303 51 1HG1 VAL 8 1HG1 VAL 8 11.080 -0.670 -2.711 52 2HG1 VAL 8 2HG1 VAL 8 11.049 0.476 -1.370 53 3HG1 VAL 8 3HG1 VAL 8 9.551 0.038 -2.190 54 1HG2 VAL 8 1HG2 VAL 8 12.237 -1.524 0.076 55 2HG2 VAL 8 2HG2 VAL 8 12.200 -2.278 -1.518 56 3HG2 VAL 8 3HG2 VAL 8 11.494 -3.111 -0.132 57 H ALA 9 H ALA 9 7.722 -1.813 -0.874 58 HA ALA 9 HA ALA 9 6.264 0.588 -1.354 59 1HB ALA 9 1HB ALA 9 5.554 -1.161 -2.671 60 2HB ALA 9 2HB ALA 9 4.369 -1.343 -1.377 61 3HB ALA 9 3HB ALA 9 5.813 -2.354 -1.398 62 H ARG 10 H ARG 10 5.531 -1.991 1.033 63 HA ARG 10 HA ARG 10 3.461 -0.905 2.468 64 1HB ARG 10 2HB ARG 10 4.998 -3.011 2.760 65 2HB ARG 10 1HB ARG 10 5.876 -1.988 3.894 66 1HG ARG 10 2HG ARG 10 4.339 -2.553 5.445 67 2HG ARG 10 1HG ARG 10 3.174 -1.599 4.526 68 1HD ARG 10 2HD ARG 10 2.041 -3.567 4.299 69 2HD ARG 10 1HD ARG 10 3.277 -3.969 3.091 70 HE ARG 10 HE ARG 10 4.550 -5.108 4.859 71 1HH1 ARG 10 1HH2 ARG 10 1.270 -5.393 4.960 72 2HH1 ARG 10 2HH2 ARG 10 1.150 -5.823 6.633 73 1HH2 ARG 10 1HH1 ARG 10 4.460 -5.065 7.339 74 2HH2 ARG 10 2HH1 ARG 10 2.956 -5.634 7.981 75 H SER 11 H SER 11 6.865 0.096 2.665 76 HA SER 11 HA SER 11 6.422 1.997 4.833 77 1HB SER 11 2HB SER 11 8.563 0.754 4.084 78 2HB SER 11 1HB SER 11 8.672 1.968 2.812 79 HG SER 11 HG SER 11 9.104 2.175 5.530 80 H ASN 12 H ASN 12 6.569 2.136 1.294 81 HA ASN 12 HA ASN 12 6.505 5.010 1.047 82 1HB ASN 12 2HB ASN 12 5.578 2.796 -0.809 83 2HB ASN 12 1HB ASN 12 5.971 4.447 -1.292 84 1HD2 ASN 12 1HD2 ASN 12 7.341 1.912 -2.128 85 2HD2 ASN 12 2HD2 ASN 12 8.959 2.092 -1.663 86 H PHE 13 H PHE 13 3.913 2.637 0.309 87 HA PHE 13 HA PHE 13 1.752 4.375 0.061 88 1HB PHE 13 2HB PHE 13 1.438 2.072 -0.381 89 2HB PHE 13 1HB PHE 13 2.099 1.593 1.180 90 HD1 PHE 13 1HD PHE 13 0.159 0.224 1.774 91 HD2 PHE 13 2HD PHE 13 -0.266 4.399 0.860 92 HE1 PHE 13 1HE PHE 13 -2.125 0.205 2.740 93 HE2 PHE 13 2HE PHE 13 -2.548 4.380 1.830 94 HZ PHE 13 HZ PHE 13 -3.477 2.282 2.769 95 H ASN 14 H ASN 14 3.311 3.212 3.005 96 HA ASN 14 HA ASN 14 1.338 4.400 4.812 97 1HB ASN 14 2HB ASN 14 3.887 2.881 4.918 98 2HB ASN 14 1HB ASN 14 3.550 3.903 6.315 99 1HD2 ASN 14 1HD2 ASN 14 3.459 0.902 6.155 100 2HD2 ASN 14 2HD2 ASN 14 1.880 0.473 6.605 101 H VAL 15 H VAL 15 4.010 5.556 3.020 102 HA VAL 15 HA VAL 15 4.522 7.846 4.836 103 HB VAL 15 HB VAL 15 5.940 6.213 2.951 104 1HG1 VAL 15 1HG1 VAL 15 5.653 7.753 1.173 105 2HG1 VAL 15 2HG1 VAL 15 7.224 8.165 1.864 106 3HG1 VAL 15 3HG1 VAL 15 5.809 9.145 2.245 107 1HG2 VAL 15 1HG2 VAL 15 7.204 8.552 4.287 108 2HG2 VAL 15 2HG2 VAL 15 7.736 6.872 4.215 109 3HG2 VAL 15 3HG2 VAL 15 6.435 7.339 5.311 110 H CYS 16 H CYS 16 2.791 7.033 1.955 111 HA CYS 16 HA CYS 16 2.595 9.832 1.013 112 1HB CYS 16 2HB CYS 16 2.829 8.254 -0.709 113 2HB CYS 16 1HB CYS 16 1.774 7.089 0.085 114 H ARG 17 H ARG 17 0.724 7.545 2.883 115 HA ARG 17 HA ARG 17 -1.787 9.076 2.615 116 1HB ARG 17 2HB ARG 17 -1.906 6.667 2.684 117 2HB ARG 17 1HB ARG 17 -0.882 6.600 4.117 118 1HG ARG 17 2HG ARG 17 -3.131 6.274 4.876 119 2HG ARG 17 1HG ARG 17 -2.688 7.918 5.329 120 1HD ARG 17 2HD ARG 17 -3.891 8.830 3.418 121 2HD ARG 17 1HD ARG 17 -4.227 7.196 2.810 122 HE ARG 17 HE ARG 17 -5.160 7.191 5.443 123 1HH1 ARG 17 1HH1 ARG 17 -6.631 7.178 2.628 124 2HH1 ARG 17 2HH1 ARG 17 -7.869 8.339 2.969 125 1HH2 ARG 17 1HH2 ARG 17 -6.369 9.484 5.875 126 2HH2 ARG 17 2HH2 ARG 17 -7.723 9.642 4.808 127 H LEU 18 H LEU 18 1.038 9.223 4.463 128 HA LEU 18 HA LEU 18 0.146 9.879 7.069 129 1HB LEU 18 2HB LEU 18 2.499 9.825 5.451 130 2HB LEU 18 1HB LEU 18 2.451 11.370 6.286 131 HG LEU 18 HG LEU 18 2.183 8.646 7.581 132 1HD1 LEU 18 1HD1 LEU 18 4.481 9.666 6.695 133 2HD1 LEU 18 2HD1 LEU 18 4.391 8.828 8.245 134 3HD1 LEU 18 3HD1 LEU 18 4.372 10.591 8.193 135 1HD2 LEU 18 1HD2 LEU 18 1.207 9.770 9.277 136 2HD2 LEU 18 2HD2 LEU 18 1.444 11.310 8.454 137 3HD2 LEU 18 3HD2 LEU 18 2.716 10.657 9.487 138 HA PRO 19 HA PRO 19 0.089 14.407 5.533 139 1HB PRO 19 2HB PRO 19 -0.018 14.851 2.837 140 2HB PRO 19 1HB PRO 19 1.500 14.750 3.749 141 1HG PRO 19 2HG PRO 19 0.203 12.731 2.010 142 2HG PRO 19 1HG PRO 19 1.920 13.067 2.270 143 1HD PRO 19 2HD PRO 19 0.545 10.972 3.399 144 2HD PRO 19 1HD PRO 19 2.049 11.655 4.049 145 H GLY 20 H GLY 20 -1.493 13.147 2.612 146 1HA GLY 20 2HA GLY 20 -4.108 12.979 3.836 147 2HA GLY 20 1HA GLY 20 -3.917 14.487 2.939 148 H THR 21 H THR 21 -2.234 11.611 1.880 149 HA THR 21 HA THR 21 -3.739 11.703 -0.630 150 HB THR 21 HB THR 21 -1.525 9.813 0.130 151 HG1 THR 21 1HG THR 21 -1.176 12.421 -0.927 152 1HG2 THR 21 1HG2 THR 21 -1.009 10.238 -2.350 153 2HG2 THR 21 2HG2 THR 21 -2.576 11.035 -2.424 154 3HG2 THR 21 3HG2 THR 21 -2.476 9.328 -1.991 155 HA PRO 22 HA PRO 22 -6.172 8.219 0.522 156 1HB PRO 22 2HB PRO 22 -7.056 7.618 -1.997 157 2HB PRO 22 1HB PRO 22 -7.691 8.973 -1.048 158 1HG PRO 22 2HG PRO 22 -5.724 8.984 -3.277 159 2HG PRO 22 1HG PRO 22 -6.984 10.164 -2.878 160 1HD PRO 22 2HD PRO 22 -4.314 10.504 -2.282 161 2HD PRO 22 1HD PRO 22 -5.633 11.285 -1.399 162 H GLU 23 H GLU 23 -5.267 6.291 0.923 163 HA GLU 23 HA GLU 23 -2.933 5.144 0.170 164 1HB GLU 23 2HB GLU 23 -4.178 2.919 0.423 165 2HB GLU 23 1HB GLU 23 -4.385 4.073 1.742 166 1HG GLU 23 2HG GLU 23 -6.576 4.526 1.190 167 2HG GLU 23 1HG GLU 23 -6.314 4.223 -0.529 168 H ALA 24 H ALA 24 -5.771 5.360 -1.920 169 HA ALA 24 HA ALA 24 -5.057 3.457 -3.911 170 1HB ALA 24 1HB ALA 24 -6.905 4.348 -4.915 171 2HB ALA 24 2HB ALA 24 -6.265 5.989 -4.830 172 3HB ALA 24 3HB ALA 24 -7.069 5.282 -3.428 173 H LEU 25 H LEU 25 -4.283 6.955 -3.662 174 HA LEU 25 HA LEU 25 -2.602 6.965 -6.028 175 1HB LEU 25 2HB LEU 25 -3.812 8.752 -4.211 176 2HB LEU 25 1HB LEU 25 -2.080 9.047 -4.090 177 HG LEU 25 HG LEU 25 -2.513 8.747 -6.823 178 1HD1 LEU 25 1HD1 LEU 25 -5.016 9.089 -5.912 179 2HD1 LEU 25 2HD1 LEU 25 -4.474 9.777 -7.444 180 3HD1 LEU 25 3HD1 LEU 25 -4.526 10.782 -5.996 181 1HD2 LEU 25 1HD2 LEU 25 -1.519 10.656 -4.992 182 2HD2 LEU 25 2HD2 LEU 25 -2.656 11.521 -6.026 183 3HD2 LEU 25 3HD2 LEU 25 -1.303 10.646 -6.743 184 H CYS 26 H CYS 26 -2.148 6.106 -2.687 185 HA CYS 26 HA CYS 26 0.783 6.428 -2.752 186 1HB CYS 26 2HB CYS 26 -1.025 5.104 -0.707 187 2HB CYS 26 1HB CYS 26 0.605 5.719 -0.442 188 H ALA 27 H ALA 27 -1.593 3.903 -3.292 189 HA ALA 27 HA ALA 27 0.547 1.837 -3.289 190 1HB ALA 27 1HB ALA 27 -1.153 0.708 -2.289 191 2HB ALA 27 2HB ALA 27 -1.934 0.668 -3.869 192 3HB ALA 27 3HB ALA 27 -2.311 1.962 -2.732 193 H THR 28 H THR 28 -0.872 3.969 -5.315 194 HA THR 28 HA THR 28 -0.805 2.237 -7.727 195 HB THR 28 HB THR 28 -1.927 4.893 -6.894 196 HG1 THR 28 1HG THR 28 -3.640 3.907 -8.280 197 1HG2 THR 28 1HG2 THR 28 -0.665 5.486 -8.883 198 2HG2 THR 28 2HG2 THR 28 -2.384 5.437 -9.276 199 3HG2 THR 28 3HG2 THR 28 -1.331 4.105 -9.753 200 H TYR 29 H TYR 29 0.831 4.843 -6.062 201 HA TYR 29 HA TYR 29 2.695 5.354 -8.304 202 1HB TYR 29 2HB TYR 29 1.963 7.258 -7.051 203 2HB TYR 29 1HB TYR 29 2.243 6.441 -5.514 204 HD1 TYR 29 1HD TYR 29 4.424 6.618 -8.547 205 HD2 TYR 29 2HD TYR 29 3.897 7.713 -4.427 206 HE1 TYR 29 1HE TYR 29 6.736 7.514 -8.488 207 HE2 TYR 29 2HE TYR 29 6.208 8.609 -4.369 208 HH TYR 29 HH TYR 29 8.463 8.041 -6.921 209 H THR 30 H THR 30 2.583 3.782 -5.135 210 HA THR 30 HA THR 30 5.458 3.097 -5.295 211 HB THR 30 HB THR 30 4.012 3.887 -3.239 212 HG1 THR 30 1HG THR 30 5.836 1.723 -3.155 213 1HG2 THR 30 1HG2 THR 30 2.839 2.277 -2.070 214 2HG2 THR 30 2HG2 THR 30 3.748 0.946 -2.787 215 3HG2 THR 30 3HG2 THR 30 2.506 1.772 -3.727 216 H GLY 31 H GLY 31 2.359 1.689 -5.988 217 1HA GLY 31 2HA GLY 31 2.346 -0.315 -7.426 218 2HA GLY 31 1HA GLY 31 3.753 -0.897 -6.541 219 H CYS 32 H CYS 32 2.850 -0.420 -3.890 220 HA CYS 32 HA CYS 32 1.543 -2.750 -3.169 221 1HB CYS 32 2HB CYS 32 2.542 -1.030 -1.660 222 2HB CYS 32 1HB CYS 32 1.136 -0.003 -1.942 223 H ILE 33 H ILE 33 -0.773 -3.030 -2.390 224 HA ILE 33 HA ILE 33 -2.751 -1.359 -3.863 225 HB ILE 33 HB ILE 33 -3.760 -3.490 -4.735 226 1HG1 ILE 33 2HG1 ILE 33 -1.279 -5.010 -4.387 227 2HG1 ILE 33 1HG1 ILE 33 -2.083 -4.663 -2.857 228 1HG2 ILE 33 1HG2 ILE 33 -2.043 -2.021 -5.976 229 2HG2 ILE 33 2HG2 ILE 33 -2.266 -3.665 -6.572 230 3HG2 ILE 33 3HG2 ILE 33 -0.867 -3.272 -5.574 231 1HD1 ILE 33 1HD1 ILE 33 -4.232 -5.496 -3.920 232 2HD1 ILE 33 2HD1 ILE 33 -3.001 -6.733 -3.663 233 3HD1 ILE 33 3HD1 ILE 33 -3.253 -6.059 -5.274 234 H ILE 34 H ILE 34 -4.792 -1.348 -2.864 235 HA ILE 34 HA ILE 34 -4.933 -2.708 -0.200 236 HB ILE 34 HB ILE 34 -6.460 -0.334 -1.322 237 1HG1 ILE 34 2HG1 ILE 34 -4.724 0.520 0.696 238 2HG1 ILE 34 1HG1 ILE 34 -3.753 -0.593 -0.268 239 1HG2 ILE 34 1HG2 ILE 34 -7.280 -1.827 0.710 240 2HG2 ILE 34 2HG2 ILE 34 -7.384 -0.068 0.792 241 3HG2 ILE 34 3HG2 ILE 34 -6.058 -0.912 1.591 242 1HD1 ILE 34 1HD1 ILE 34 -3.530 1.610 -1.239 243 2HD1 ILE 34 2HD1 ILE 34 -5.280 1.829 -1.261 244 3HD1 ILE 34 3HD1 ILE 34 -4.526 0.642 -2.326 245 H ILE 35 H ILE 35 -7.033 -3.666 0.374 246 HA ILE 35 HA ILE 35 -8.894 -4.122 -1.911 247 HB ILE 35 HB ILE 35 -8.734 -6.491 -1.683 248 1HG1 ILE 35 2HG1 ILE 35 -8.701 -6.450 0.833 249 2HG1 ILE 35 1HG1 ILE 35 -7.571 -7.605 0.128 250 1HG2 ILE 35 1HG2 ILE 35 -6.520 -6.884 -2.346 251 2HG2 ILE 35 2HG2 ILE 35 -5.869 -5.691 -1.221 252 3HG2 ILE 35 3HG2 ILE 35 -6.718 -5.163 -2.674 253 1HD1 ILE 35 1HD1 ILE 35 -7.027 -5.085 1.612 254 2HD1 ILE 35 2HD1 ILE 35 -5.955 -5.449 0.260 255 3HD1 ILE 35 3HD1 ILE 35 -6.118 -6.596 1.588 256 HA PRO 36 HA PRO 36 -11.851 -3.497 1.276 257 1HB PRO 36 2HB PRO 36 -14.037 -4.572 0.026 258 2HB PRO 36 1HB PRO 36 -13.347 -2.996 -0.414 259 1HG PRO 36 2HG PRO 36 -13.032 -5.637 -1.749 260 2HG PRO 36 1HG PRO 36 -13.192 -4.024 -2.460 261 1HD PRO 36 2HD PRO 36 -10.816 -5.349 -2.222 262 2HD PRO 36 1HD PRO 36 -10.958 -3.578 -2.268 263 H GLY 37 H GLY 37 -10.362 -5.474 2.196 264 1HA GLY 37 2HA GLY 37 -12.199 -7.310 3.436 265 2HA GLY 37 1HA GLY 37 -11.247 -8.127 2.198 266 H ALA 38 H ALA 38 -9.882 -9.318 3.460 267 HA ALA 38 HA ALA 38 -7.846 -7.816 5.024 268 1HB ALA 38 1HB ALA 38 -9.043 -8.335 6.895 269 2HB ALA 38 2HB ALA 38 -8.390 -9.957 6.664 270 3HB ALA 38 3HB ALA 38 -9.994 -9.555 6.049 271 H THR 39 H THR 39 -8.332 -9.842 2.600 272 HA THR 39 HA THR 39 -6.034 -11.609 3.349 273 HB THR 39 HB THR 39 -7.823 -12.235 1.067 274 HG1 THR 39 1HG THR 39 -8.539 -12.444 3.803 275 1HG2 THR 39 1HG2 THR 39 -6.846 -14.242 1.326 276 2HG2 THR 39 2HG2 THR 39 -7.266 -14.291 3.039 277 3HG2 THR 39 3HG2 THR 39 -5.790 -13.480 2.515 278 H CYS 40 H CYS 40 -4.301 -10.607 2.527 279 HA CYS 40 HA CYS 40 -4.294 -9.050 0.067 280 1HB CYS 40 2HB CYS 40 -2.096 -10.195 1.825 281 2HB CYS 40 1HB CYS 40 -1.831 -9.021 0.537 282 HA PRO 41 HA PRO 41 -3.420 -12.245 -2.809 283 1HB PRO 41 2HB PRO 41 -1.627 -11.044 -4.490 284 2HB PRO 41 1HB PRO 41 -3.350 -10.616 -4.451 285 1HG PRO 41 2HG PRO 41 -1.023 -9.208 -3.259 286 2HG PRO 41 1HG PRO 41 -2.485 -8.545 -4.005 287 1HD PRO 41 2HD PRO 41 -2.072 -8.696 -1.296 288 2HD PRO 41 1HD PRO 41 -3.675 -8.647 -2.058 289 H GLY 42 H GLY 42 -1.099 -12.943 -4.137 290 1HA GLY 42 2HA GLY 42 0.624 -13.839 -1.885 291 2HA GLY 42 1HA GLY 42 0.563 -14.584 -3.482 292 H ASP 43 H ASP 43 0.650 -11.825 -4.741 293 HA ASP 43 HA ASP 43 3.589 -11.622 -4.801 294 1HB ASP 43 2HB ASP 43 1.379 -10.104 -6.232 295 2HB ASP 43 1HB ASP 43 3.091 -10.062 -6.657 296 H TYR 44 H TYR 44 0.880 -9.983 -3.371 297 HA TYR 44 HA TYR 44 2.724 -7.839 -2.368 298 1HB TYR 44 2HB TYR 44 -0.276 -7.612 -2.652 299 2HB TYR 44 1HB TYR 44 0.915 -6.315 -2.567 300 HD1 TYR 44 1HD TYR 44 -1.316 -7.197 -4.752 301 HD2 TYR 44 2HD TYR 44 2.966 -7.393 -4.476 302 HE1 TYR 44 1HE TYR 44 -1.156 -7.170 -7.226 303 HE2 TYR 44 2HE TYR 44 3.126 -7.366 -6.951 304 HH TYR 44 HH TYR 44 1.983 -7.008 -8.862 305 H ALA 45 H ALA 45 2.251 -10.469 -1.159 306 HA ALA 45 HA ALA 45 0.369 -10.064 1.063 307 1HB ALA 45 1HB ALA 45 0.681 -12.332 1.365 308 2HB ALA 45 2HB ALA 45 2.407 -12.242 1.017 309 3HB ALA 45 3HB ALA 45 1.239 -12.208 -0.304 310 H ASN 46 H ASN 46 2.760 -8.229 0.801 311 HA ASN 46 HA ASN 46 3.813 -8.654 3.555 312 1HB ASN 46 2HB ASN 46 5.228 -9.380 1.377 313 2HB ASN 46 1HB ASN 46 5.674 -7.674 1.443 314 1HD2 ASN 46 1HD2 ASN 46 5.213 -7.802 4.498 315 2HD2 ASN 46 2HD2 ASN 46 6.633 -8.519 5.088 Start of MODEL 2 1 1H THR 1 1HT THR 1 -8.461 -3.210 3.410 2 2H THR 1 2HT THR 1 -7.698 -2.617 2.013 3 3H THR 1 3HT THR 1 -7.669 -1.712 3.452 4 HA THR 1 HA THR 1 -6.013 -2.944 4.378 5 HB THR 1 HB THR 1 -7.425 -5.129 2.847 6 HG1 THR 1 1HG THR 1 -6.775 -4.961 5.585 7 1HG2 THR 1 1HG2 THR 1 -4.636 -5.062 3.649 8 2HG2 THR 1 2HG2 THR 1 -5.504 -6.298 2.738 9 3HG2 THR 1 3HG2 THR 1 -5.511 -6.336 4.501 10 H THR 2 H THR 2 -4.104 -2.204 3.536 11 HA THR 2 HA THR 2 -3.609 -2.290 0.623 12 HB THR 2 HB THR 2 -2.257 -1.123 3.062 13 HG1 THR 2 1HG THR 2 -2.637 0.722 1.415 14 1HG2 THR 2 1HG2 THR 2 -0.818 -0.021 1.115 15 2HG2 THR 2 2HG2 THR 2 -1.185 -1.543 0.304 16 3HG2 THR 2 3HG2 THR 2 -0.338 -1.550 1.851 17 H CYS 3 H CYS 3 -1.615 -3.293 -0.236 18 HA CYS 3 HA CYS 3 -0.188 -5.198 1.527 19 1HB CYS 3 2HB CYS 3 -2.484 -5.870 -0.038 20 2HB CYS 3 1HB CYS 3 -1.084 -6.662 -0.759 21 H CYS 4 H CYS 4 1.899 -4.651 0.945 22 HA CYS 4 HA CYS 4 2.510 -4.384 -1.978 23 1HB CYS 4 2HB CYS 4 3.077 -2.797 0.353 24 2HB CYS 4 1HB CYS 4 4.600 -3.385 -0.313 25 HA PRO 5 HA PRO 5 4.970 -7.999 -1.498 26 1HB PRO 5 2HB PRO 5 6.609 -7.719 -3.662 27 2HB PRO 5 1HB PRO 5 4.894 -8.155 -3.795 28 1HG PRO 5 2HG PRO 5 6.231 -5.560 -4.294 29 2HG PRO 5 1HG PRO 5 4.818 -6.276 -5.082 30 1HD PRO 5 2HD PRO 5 4.746 -4.284 -3.152 31 2HD PRO 5 1HD PRO 5 3.381 -5.328 -3.606 32 H SER 6 H SER 6 5.978 -5.496 -0.038 33 HA SER 6 HA SER 6 8.582 -6.505 0.643 34 1HB SER 6 2HB SER 6 9.325 -5.777 -1.477 35 2HB SER 6 1HB SER 6 8.343 -4.315 -1.413 36 HG SER 6 HG SER 6 10.401 -4.831 0.454 37 H ILE 7 H ILE 7 9.602 -5.221 2.303 38 HA ILE 7 HA ILE 7 7.810 -3.765 4.011 39 HB ILE 7 HB ILE 7 10.827 -4.038 3.852 40 1HG1 ILE 7 2HG1 ILE 7 8.648 -5.417 5.444 41 2HG1 ILE 7 1HG1 ILE 7 9.757 -6.150 4.285 42 1HG2 ILE 7 1HG2 ILE 7 11.036 -2.967 5.920 43 2HG2 ILE 7 2HG2 ILE 7 9.335 -3.201 6.324 44 3HG2 ILE 7 3HG2 ILE 7 9.799 -1.988 5.131 45 1HD1 ILE 7 1HD1 ILE 7 10.518 -6.640 6.555 46 2HD1 ILE 7 2HD1 ILE 7 10.508 -4.922 6.954 47 3HD1 ILE 7 3HD1 ILE 7 11.662 -5.546 5.775 48 H VAL 8 H VAL 8 9.938 -2.811 1.401 49 HA VAL 8 HA VAL 8 9.965 0.037 2.098 50 HB VAL 8 HB VAL 8 10.621 -1.274 -0.552 51 1HG1 VAL 8 1HG1 VAL 8 12.109 0.560 -0.837 52 2HG1 VAL 8 2HG1 VAL 8 12.009 1.005 0.867 53 3HG1 VAL 8 3HG1 VAL 8 10.628 1.271 -0.196 54 1HG2 VAL 8 1HG2 VAL 8 11.888 -1.603 2.095 55 2HG2 VAL 8 2HG2 VAL 8 13.001 -1.144 0.807 56 3HG2 VAL 8 3HG2 VAL 8 12.026 -2.605 0.650 57 H ALA 9 H ALA 9 8.524 -1.876 -0.577 58 HA ALA 9 HA ALA 9 6.993 0.167 -1.779 59 1HB ALA 9 1HB ALA 9 6.029 -1.612 -2.915 60 2HB ALA 9 2HB ALA 9 5.849 -2.578 -1.450 61 3HB ALA 9 3HB ALA 9 7.426 -2.440 -2.226 62 H ARG 10 H ARG 10 6.060 -2.079 0.831 63 HA ARG 10 HA ARG 10 3.451 -0.941 1.265 64 1HB ARG 10 2HB ARG 10 3.429 -2.463 3.105 65 2HB ARG 10 1HB ARG 10 4.420 -3.239 1.876 66 1HG ARG 10 2HG ARG 10 5.971 -3.451 3.511 67 2HG ARG 10 1HG ARG 10 6.272 -1.734 3.265 68 1HD ARG 10 2HD ARG 10 5.866 -2.080 5.638 69 2HD ARG 10 1HD ARG 10 4.434 -1.273 4.969 70 HE ARG 10 HE ARG 10 4.087 -4.090 4.687 71 1HH1 ARG 10 1HH2 ARG 10 2.437 -1.793 6.113 72 2HH1 ARG 10 2HH2 ARG 10 2.219 -2.538 7.662 73 1HH2 ARG 10 1HH1 ARG 10 4.600 -4.998 7.115 74 2HH2 ARG 10 2HH1 ARG 10 3.440 -4.352 8.227 75 H SER 11 H SER 11 6.672 -0.157 2.400 76 HA SER 11 HA SER 11 5.836 1.522 4.628 77 1HB SER 11 2HB SER 11 8.027 0.712 4.786 78 2HB SER 11 1HB SER 11 8.333 0.926 3.066 79 HG SER 11 HG SER 11 9.228 2.489 4.768 80 H ASN 12 H ASN 12 6.917 2.099 1.282 81 HA ASN 12 HA ASN 12 6.857 4.915 1.209 82 1HB ASN 12 2HB ASN 12 5.769 3.109 -0.960 83 2HB ASN 12 1HB ASN 12 6.655 4.619 -1.160 84 1HD2 ASN 12 1HD2 ASN 12 7.358 1.942 -2.257 85 2HD2 ASN 12 2HD2 ASN 12 8.887 1.566 -1.632 86 H PHE 13 H PHE 13 4.200 2.608 0.590 87 HA PHE 13 HA PHE 13 2.103 4.415 0.072 88 1HB PHE 13 2HB PHE 13 1.596 2.163 -0.237 89 2HB PHE 13 1HB PHE 13 2.420 1.671 1.241 90 HD1 PHE 13 1HD PHE 13 1.030 0.866 2.914 91 HD2 PHE 13 2HD PHE 13 -0.409 3.963 0.314 92 HE1 PHE 13 1HE PHE 13 -1.130 0.883 4.132 93 HE2 PHE 13 2HE PHE 13 -2.566 3.983 1.531 94 HZ PHE 13 HZ PHE 13 -2.929 2.443 3.441 95 H ASN 14 H ASN 14 3.367 3.258 3.192 96 HA ASN 14 HA ASN 14 1.433 4.744 4.793 97 1HB ASN 14 2HB ASN 14 3.918 3.118 5.183 98 2HB ASN 14 1HB ASN 14 3.402 4.160 6.509 99 1HD2 ASN 14 1HD2 ASN 14 3.256 1.062 5.960 100 2HD2 ASN 14 2HD2 ASN 14 1.654 0.686 6.379 101 H VAL 15 H VAL 15 4.233 5.578 3.055 102 HA VAL 15 HA VAL 15 4.934 7.875 4.782 103 HB VAL 15 HB VAL 15 6.188 6.087 2.930 104 1HG1 VAL 15 1HG1 VAL 15 7.481 7.674 1.555 105 2HG1 VAL 15 2HG1 VAL 15 6.514 9.009 2.182 106 3HG1 VAL 15 3HG1 VAL 15 5.761 7.770 1.179 107 1HG2 VAL 15 1HG2 VAL 15 7.866 8.227 3.948 108 2HG2 VAL 15 2HG2 VAL 15 7.878 6.507 4.342 109 3HG2 VAL 15 3HG2 VAL 15 6.783 7.600 5.191 110 H CYS 16 H CYS 16 3.172 7.111 1.884 111 HA CYS 16 HA CYS 16 3.095 9.910 0.939 112 1HB CYS 16 2HB CYS 16 3.258 8.285 -0.764 113 2HB CYS 16 1HB CYS 16 2.103 7.214 0.025 114 H ARG 17 H ARG 17 1.240 7.823 2.993 115 HA ARG 17 HA ARG 17 -1.244 9.413 2.659 116 1HB ARG 17 2HB ARG 17 -1.340 6.964 2.787 117 2HB ARG 17 1HB ARG 17 -0.493 6.995 4.334 118 1HG ARG 17 2HG ARG 17 -2.330 7.807 5.484 119 2HG ARG 17 1HG ARG 17 -2.994 8.615 4.062 120 1HD ARG 17 2HD ARG 17 -3.557 6.385 3.091 121 2HD ARG 17 1HD ARG 17 -2.984 5.623 4.588 122 HE ARG 17 HE ARG 17 -4.848 7.737 5.192 123 1HH1 ARG 17 1HH1 ARG 17 -5.018 4.909 3.315 124 2HH1 ARG 17 2HH1 ARG 17 -6.406 4.265 4.126 125 1HH2 ARG 17 1HH2 ARG 17 -6.470 6.746 6.549 126 2HH2 ARG 17 2HH2 ARG 17 -7.231 5.308 5.955 127 H LEU 18 H LEU 18 1.592 9.750 4.325 128 HA LEU 18 HA LEU 18 0.949 10.273 7.004 129 1HB LEU 18 2HB LEU 18 3.049 10.608 5.127 130 2HB LEU 18 1HB LEU 18 2.834 12.155 5.932 131 HG LEU 18 HG LEU 18 3.087 9.512 7.383 132 1HD1 LEU 18 1HD1 LEU 18 5.300 11.214 7.889 133 2HD1 LEU 18 2HD1 LEU 18 5.095 11.160 6.137 134 3HD1 LEU 18 3HD1 LEU 18 5.308 9.665 7.047 135 1HD2 LEU 18 1HD2 LEU 18 2.768 12.385 8.188 136 2HD2 LEU 18 2HD2 LEU 18 3.721 11.318 9.219 137 3HD2 LEU 18 3HD2 LEU 18 2.030 10.943 8.885 138 HA PRO 19 HA PRO 19 -0.126 14.741 5.687 139 1HB PRO 19 2HB PRO 19 -0.599 15.232 3.040 140 2HB PRO 19 1HB PRO 19 1.009 15.364 3.778 141 1HG PRO 19 2HG PRO 19 -0.120 13.221 2.075 142 2HG PRO 19 1HG PRO 19 1.542 13.814 2.195 143 1HD PRO 19 2HD PRO 19 0.586 11.487 3.344 144 2HD PRO 19 1HD PRO 19 2.065 12.338 3.838 145 H GLY 20 H GLY 20 -1.640 12.016 4.095 146 1HA GLY 20 2HA GLY 20 -4.034 11.714 4.982 147 2HA GLY 20 1HA GLY 20 -4.295 13.357 4.399 148 H THR 21 H THR 21 -2.191 11.500 2.427 149 HA THR 21 HA THR 21 -3.850 11.675 0.146 150 HB THR 21 HB THR 21 -1.616 9.716 0.676 151 HG1 THR 21 1HG THR 21 -0.385 11.378 0.963 152 1HG2 THR 21 1HG2 THR 21 -2.767 9.470 -1.460 153 2HG2 THR 21 2HG2 THR 21 -1.151 10.123 -1.729 154 3HG2 THR 21 3HG2 THR 21 -2.556 11.188 -1.799 155 HA PRO 22 HA PRO 22 -6.313 8.091 0.744 156 1HB PRO 22 2HB PRO 22 -7.147 7.819 -1.847 157 2HB PRO 22 1HB PRO 22 -7.785 9.052 -0.747 158 1HG PRO 22 2HG PRO 22 -5.793 9.317 -2.932 159 2HG PRO 22 1HG PRO 22 -7.026 10.464 -2.384 160 1HD PRO 22 2HD PRO 22 -4.343 10.633 -1.740 161 2HD PRO 22 1HD PRO 22 -5.644 11.366 -0.801 162 H GLU 23 H GLU 23 -5.354 6.170 0.986 163 HA GLU 23 HA GLU 23 -3.036 5.100 0.063 164 1HB GLU 23 2HB GLU 23 -4.019 2.939 0.511 165 2HB GLU 23 1HB GLU 23 -4.793 4.096 1.592 166 1HG GLU 23 2HG GLU 23 -6.525 4.331 -0.383 167 2HG GLU 23 1HG GLU 23 -5.909 2.742 -0.842 168 H ALA 24 H ALA 24 -5.963 5.469 -1.865 169 HA ALA 24 HA ALA 24 -5.360 3.750 -4.042 170 1HB ALA 24 1HB ALA 24 -7.288 4.698 -4.768 171 2HB ALA 24 2HB ALA 24 -6.552 6.301 -4.799 172 3HB ALA 24 3HB ALA 24 -7.255 5.681 -3.305 173 H LEU 25 H LEU 25 -4.352 7.122 -3.371 174 HA LEU 25 HA LEU 25 -2.878 7.364 -5.881 175 1HB LEU 25 2HB LEU 25 -3.864 8.959 -3.741 176 2HB LEU 25 1HB LEU 25 -2.126 9.228 -3.827 177 HG LEU 25 HG LEU 25 -3.327 9.161 -6.479 178 1HD1 LEU 25 1HD1 LEU 25 -5.309 10.113 -5.719 179 2HD1 LEU 25 2HD1 LEU 25 -4.335 11.557 -5.993 180 3HD1 LEU 25 3HD1 LEU 25 -4.523 10.916 -4.361 181 1HD2 LEU 25 1HD2 LEU 25 -1.779 11.232 -4.889 182 2HD2 LEU 25 2HD2 LEU 25 -2.143 11.366 -6.609 183 3HD2 LEU 25 3HD2 LEU 25 -1.104 10.065 -6.027 184 H CYS 26 H CYS 26 -2.112 6.553 -2.513 185 HA CYS 26 HA CYS 26 0.790 6.603 -2.958 186 1HB CYS 26 2HB CYS 26 -0.855 5.486 -0.670 187 2HB CYS 26 1HB CYS 26 0.839 5.964 -0.615 188 H ALA 27 H ALA 27 -1.754 4.262 -3.329 189 HA ALA 27 HA ALA 27 0.205 2.029 -3.231 190 1HB ALA 27 1HB ALA 27 -2.684 1.582 -3.760 191 2HB ALA 27 2HB ALA 27 -2.279 2.269 -2.187 192 3HB ALA 27 3HB ALA 27 -1.605 0.713 -2.670 193 H THR 28 H THR 28 -1.307 4.092 -5.350 194 HA THR 28 HA THR 28 -1.248 2.245 -7.664 195 HB THR 28 HB THR 28 -2.252 5.014 -7.031 196 HG1 THR 28 1HG THR 28 -3.473 2.811 -8.325 197 1HG2 THR 28 1HG2 THR 28 -1.295 5.462 -9.118 198 2HG2 THR 28 2HG2 THR 28 -2.953 5.014 -9.518 199 3HG2 THR 28 3HG2 THR 28 -1.648 3.846 -9.730 200 H TYR 29 H TYR 29 0.550 4.852 -6.177 201 HA TYR 29 HA TYR 29 2.298 5.153 -8.571 202 1HB TYR 29 2HB TYR 29 1.489 7.176 -7.490 203 2HB TYR 29 1HB TYR 29 2.037 6.602 -5.915 204 HD1 TYR 29 1HD TYR 29 3.750 8.079 -5.260 205 HD2 TYR 29 2HD TYR 29 3.744 6.466 -9.240 206 HE1 TYR 29 1HE TYR 29 5.982 9.081 -5.669 207 HE2 TYR 29 2HE TYR 29 5.975 7.468 -9.650 208 HH TYR 29 HH TYR 29 7.323 9.824 -7.663 209 H THR 30 H THR 30 2.236 3.905 -5.284 210 HA THR 30 HA THR 30 5.136 3.297 -5.382 211 HB THR 30 HB THR 30 3.549 4.254 -3.439 212 HG1 THR 30 1HG THR 30 5.453 4.180 -2.621 213 1HG2 THR 30 1HG2 THR 30 3.737 1.388 -2.595 214 2HG2 THR 30 2HG2 THR 30 2.359 1.914 -3.563 215 3HG2 THR 30 3HG2 THR 30 2.675 2.663 -1.998 216 H GLY 31 H GLY 31 2.088 1.767 -5.988 217 1HA GLY 31 2HA GLY 31 2.194 -0.399 -7.189 218 2HA GLY 31 1HA GLY 31 3.526 -0.856 -6.131 219 H CYS 32 H CYS 32 2.413 -0.078 -3.636 220 HA CYS 32 HA CYS 32 1.101 -2.298 -2.690 221 1HB CYS 32 2HB CYS 32 0.551 0.605 -1.993 222 2HB CYS 32 1HB CYS 32 0.151 -0.769 -0.966 223 H ILE 33 H ILE 33 -1.098 -2.991 -2.496 224 HA ILE 33 HA ILE 33 -3.070 -1.516 -4.209 225 HB ILE 33 HB ILE 33 -3.797 -3.677 -5.062 226 1HG1 ILE 33 2HG1 ILE 33 -1.596 -5.014 -3.492 227 2HG1 ILE 33 1HG1 ILE 33 -3.201 -4.805 -2.792 228 1HG2 ILE 33 1HG2 ILE 33 -1.592 -4.467 -6.076 229 2HG2 ILE 33 2HG2 ILE 33 -0.805 -3.236 -5.089 230 3HG2 ILE 33 3HG2 ILE 33 -1.979 -2.764 -6.316 231 1HD1 ILE 33 1HD1 ILE 33 -2.946 -5.968 -5.547 232 2HD1 ILE 33 2HD1 ILE 33 -4.215 -6.212 -4.348 233 3HD1 ILE 33 3HD1 ILE 33 -2.647 -6.995 -4.144 234 H ILE 34 H ILE 34 -5.232 -1.578 -3.448 235 HA ILE 34 HA ILE 34 -5.561 -2.594 -0.649 236 HB ILE 34 HB ILE 34 -6.985 -0.389 -2.172 237 1HG1 ILE 34 2HG1 ILE 34 -5.513 0.726 -0.100 238 2HG1 ILE 34 1HG1 ILE 34 -4.430 -0.504 -0.747 239 1HG2 ILE 34 1HG2 ILE 34 -6.974 -1.131 0.770 240 2HG2 ILE 34 2HG2 ILE 34 -8.319 -1.373 -0.345 241 3HG2 ILE 34 3HG2 ILE 34 -7.799 0.261 0.068 242 1HD1 ILE 34 1HD1 ILE 34 -4.292 0.515 -2.822 243 2HD1 ILE 34 2HD1 ILE 34 -4.512 1.936 -1.800 244 3HD1 ILE 34 3HD1 ILE 34 -5.884 1.259 -2.678 245 H ILE 35 H ILE 35 -7.547 -3.680 -0.151 246 HA ILE 35 HA ILE 35 -9.389 -4.296 -2.407 247 HB ILE 35 HB ILE 35 -9.090 -6.680 -2.083 248 1HG1 ILE 35 2HG1 ILE 35 -8.707 -6.398 0.438 249 2HG1 ILE 35 1HG1 ILE 35 -7.742 -7.634 -0.366 250 1HG2 ILE 35 1HG2 ILE 35 -6.798 -6.940 -2.811 251 2HG2 ILE 35 2HG2 ILE 35 -6.344 -5.396 -2.089 252 3HG2 ILE 35 3HG2 ILE 35 -7.416 -5.433 -3.489 253 1HD1 ILE 35 1HD1 ILE 35 -5.888 -6.627 0.414 254 2HD1 ILE 35 2HD1 ILE 35 -6.847 -5.309 1.084 255 3HD1 ILE 35 3HD1 ILE 35 -6.270 -5.219 -0.576 256 HA PRO 36 HA PRO 36 -12.405 -4.139 0.767 257 1HB PRO 36 2HB PRO 36 -14.256 -5.955 -0.100 258 2HB PRO 36 1HB PRO 36 -14.004 -4.381 -0.883 259 1HG PRO 36 2HG PRO 36 -13.054 -7.076 -1.703 260 2HG PRO 36 1HG PRO 36 -13.621 -5.727 -2.698 261 1HD PRO 36 2HD PRO 36 -10.980 -6.372 -2.347 262 2HD PRO 36 1HD PRO 36 -11.560 -4.745 -2.762 263 H GLY 37 H GLY 37 -10.502 -6.893 0.346 264 1HA GLY 37 2HA GLY 37 -11.839 -8.441 2.486 265 2HA GLY 37 1HA GLY 37 -10.481 -8.995 1.507 266 H ALA 38 H ALA 38 -9.079 -9.496 3.168 267 HA ALA 38 HA ALA 38 -7.854 -7.185 4.567 268 1HB ALA 38 1HB ALA 38 -8.913 -7.626 6.506 269 2HB ALA 38 2HB ALA 38 -8.260 -9.265 6.492 270 3HB ALA 38 3HB ALA 38 -9.805 -8.925 5.713 271 H THR 39 H THR 39 -7.371 -9.903 2.790 272 HA THR 39 HA THR 39 -4.751 -10.428 4.105 273 HB THR 39 HB THR 39 -6.723 -12.126 4.332 274 HG1 THR 39 1HG THR 39 -4.997 -13.829 3.791 275 1HG2 THR 39 1HG2 THR 39 -5.682 -13.293 1.812 276 2HG2 THR 39 2HG2 THR 39 -6.794 -11.935 1.645 277 3HG2 THR 39 3HG2 THR 39 -7.297 -13.385 2.513 278 H CYS 40 H CYS 40 -6.261 -9.353 1.411 279 HA CYS 40 HA CYS 40 -5.688 -9.231 -0.896 280 1HB CYS 40 2HB CYS 40 -3.701 -7.941 -0.998 281 2HB CYS 40 1HB CYS 40 -4.285 -7.707 0.638 282 HA PRO 41 HA PRO 41 -3.575 -12.736 -2.537 283 1HB PRO 41 2HB PRO 41 -1.463 -11.959 -4.076 284 2HB PRO 41 1HB PRO 41 -3.152 -11.667 -4.540 285 1HG PRO 41 2HG PRO 41 -1.144 -9.796 -3.429 286 2HG PRO 41 1HG PRO 41 -2.463 -9.496 -4.568 287 1HD PRO 41 2HD PRO 41 -2.484 -8.879 -1.870 288 2HD PRO 41 1HD PRO 41 -3.923 -8.998 -2.904 289 H GLY 42 H GLY 42 -1.392 -13.996 -2.799 290 1HA GLY 42 2HA GLY 42 0.075 -13.734 -0.238 291 2HA GLY 42 1HA GLY 42 0.127 -15.128 -1.319 292 H ASP 43 H ASP 43 0.380 -12.555 -3.330 293 HA ASP 43 HA ASP 43 3.342 -12.811 -3.448 294 1HB ASP 43 2HB ASP 43 1.422 -12.994 -5.338 295 2HB ASP 43 1HB ASP 43 1.753 -11.264 -5.440 296 H TYR 44 H TYR 44 0.785 -10.475 -2.815 297 HA TYR 44 HA TYR 44 2.863 -8.338 -2.482 298 1HB TYR 44 2HB TYR 44 -0.125 -8.002 -2.840 299 2HB TYR 44 1HB TYR 44 1.136 -6.795 -3.089 300 HD1 TYR 44 1HD TYR 44 3.145 -8.534 -4.525 301 HD2 TYR 44 2HD TYR 44 -1.097 -8.086 -5.027 302 HE1 TYR 44 1HE TYR 44 3.352 -9.234 -6.895 303 HE2 TYR 44 2HE TYR 44 -0.891 -8.788 -7.396 304 HH TYR 44 HH TYR 44 2.224 -9.179 -8.932 305 H ALA 45 H ALA 45 1.855 -10.510 -0.585 306 HA ALA 45 HA ALA 45 0.402 -9.036 1.501 307 1HB ALA 45 1HB ALA 45 0.659 -11.660 0.695 308 2HB ALA 45 2HB ALA 45 -0.042 -11.143 2.230 309 3HB ALA 45 3HB ALA 45 1.656 -11.614 2.147 310 H ASN 46 H ASN 46 3.145 -8.097 0.694 311 HA ASN 46 HA ASN 46 4.667 -8.631 3.212 312 1HB ASN 46 2HB ASN 46 5.273 -8.277 0.397 313 2HB ASN 46 1HB ASN 46 6.180 -7.119 1.371 314 1HD2 ASN 46 1HD2 ASN 46 6.456 -8.753 3.751 315 2HD2 ASN 46 2HD2 ASN 46 7.492 -10.043 3.370 Start of MODEL 3 1 1H THR 1 1HT THR 1 -6.526 -1.888 5.279 2 2H THR 1 2HT THR 1 -7.645 -3.041 5.829 3 3H THR 1 3HT THR 1 -7.685 -2.520 4.213 4 HA THR 1 HA THR 1 -5.508 -4.103 5.485 5 HB THR 1 HB THR 1 -7.689 -4.703 3.460 6 HG1 THR 1 1HG THR 1 -7.274 -5.214 6.171 7 1HG2 THR 1 1HG2 THR 1 -6.775 -7.056 3.666 8 2HG2 THR 1 2HG2 THR 1 -5.375 -6.363 4.484 9 3HG2 THR 1 3HG2 THR 1 -5.725 -5.925 2.812 10 H THR 2 H THR 2 -3.585 -3.902 4.407 11 HA THR 2 HA THR 2 -3.611 -2.574 1.721 12 HB THR 2 HB THR 2 -1.473 -2.792 3.865 13 HG1 THR 2 1HG THR 2 -2.207 -0.942 4.555 14 1HG2 THR 2 1HG2 THR 2 -1.534 -1.108 1.349 15 2HG2 THR 2 2HG2 THR 2 -0.613 -2.602 1.526 16 3HG2 THR 2 3HG2 THR 2 -0.222 -1.202 2.524 17 H CYS 3 H CYS 3 -2.171 -3.446 0.093 18 HA CYS 3 HA CYS 3 -0.950 -6.103 0.665 19 1HB CYS 3 2HB CYS 3 -3.246 -5.435 -1.139 20 2HB CYS 3 1HB CYS 3 -2.116 -6.684 -1.664 21 H CYS 4 H CYS 4 1.070 -4.897 0.364 22 HA CYS 4 HA CYS 4 1.571 -3.959 -2.439 23 1HB CYS 4 2HB CYS 4 3.143 -3.468 0.111 24 2HB CYS 4 1HB CYS 4 3.311 -2.606 -1.418 25 HA PRO 5 HA PRO 5 4.108 -7.599 -2.750 26 1HB PRO 5 2HB PRO 5 5.150 -7.060 -5.219 27 2HB PRO 5 1HB PRO 5 3.494 -7.652 -4.981 28 1HG PRO 5 2HG PRO 5 4.457 -4.907 -5.559 29 2HG PRO 5 1HG PRO 5 2.983 -5.725 -6.096 30 1HD PRO 5 2HD PRO 5 3.093 -3.867 -4.063 31 2HD PRO 5 1HD PRO 5 1.814 -5.087 -4.251 32 H SER 6 H SER 6 5.220 -5.570 -1.115 33 HA SER 6 HA SER 6 8.030 -6.015 -1.398 34 1HB SER 6 2HB SER 6 8.074 -3.262 -1.889 35 2HB SER 6 1HB SER 6 8.456 -4.527 -3.050 36 HG SER 6 HG SER 6 6.636 -4.133 -4.024 37 H ILE 7 H ILE 7 8.629 -5.889 0.722 38 HA ILE 7 HA ILE 7 7.176 -4.912 2.876 39 HB ILE 7 HB ILE 7 10.177 -4.887 2.414 40 1HG1 ILE 7 2HG1 ILE 7 9.137 -7.085 2.050 41 2HG1 ILE 7 1HG1 ILE 7 10.060 -7.094 3.551 42 1HG2 ILE 7 1HG2 ILE 7 9.525 -5.431 5.113 43 2HG2 ILE 7 2HG2 ILE 7 8.576 -4.017 4.654 44 3HG2 ILE 7 3HG2 ILE 7 10.331 -3.996 4.478 45 1HD1 ILE 7 1HD1 ILE 7 8.153 -7.914 4.474 46 2HD1 ILE 7 2HD1 ILE 7 7.155 -7.350 3.135 47 3HD1 ILE 7 3HD1 ILE 7 7.608 -6.238 4.427 48 H VAL 8 H VAL 8 9.216 -3.078 0.649 49 HA VAL 8 HA VAL 8 9.080 -0.599 2.199 50 HB VAL 8 HB VAL 8 9.824 -1.115 -0.698 51 1HG1 VAL 8 1HG1 VAL 8 10.420 1.061 -0.782 52 2HG1 VAL 8 2HG1 VAL 8 11.286 0.943 0.751 53 3HG1 VAL 8 3HG1 VAL 8 9.554 1.273 0.741 54 1HG2 VAL 8 1HG2 VAL 8 11.615 -2.239 0.088 55 2HG2 VAL 8 2HG2 VAL 8 11.062 -1.995 1.745 56 3HG2 VAL 8 3HG2 VAL 8 12.102 -0.796 0.977 57 H ALA 9 H ALA 9 7.654 -1.708 -0.903 58 HA ALA 9 HA ALA 9 6.085 0.480 -1.590 59 1HB ALA 9 1HB ALA 9 4.527 -1.297 -2.516 60 2HB ALA 9 2HB ALA 9 5.495 -2.494 -1.655 61 3HB ALA 9 3HB ALA 9 6.225 -1.525 -2.936 62 H ARG 10 H ARG 10 5.543 -1.839 1.015 63 HA ARG 10 HA ARG 10 2.837 -0.938 1.605 64 1HB ARG 10 2HB ARG 10 2.985 -2.980 2.560 65 2HB ARG 10 1HB ARG 10 4.719 -3.005 2.293 66 1HG ARG 10 2HG ARG 10 4.883 -1.557 4.428 67 2HG ARG 10 1HG ARG 10 3.212 -2.041 4.725 68 1HD ARG 10 2HD ARG 10 5.354 -4.088 4.121 69 2HD ARG 10 1HD ARG 10 5.042 -3.523 5.771 70 HE ARG 10 HE ARG 10 3.121 -5.014 4.070 71 1HH1 ARG 10 1HH1 ARG 10 4.218 -5.314 7.043 72 2HH1 ARG 10 2HH1 ARG 10 2.733 -5.061 7.900 73 1HH2 ARG 10 1HH2 ARG 10 1.042 -3.827 5.135 74 2HH2 ARG 10 2HH2 ARG 10 0.935 -4.220 6.819 75 H SER 11 H SER 11 6.071 -0.375 2.986 76 HA SER 11 HA SER 11 5.255 1.281 5.177 77 1HB SER 11 2HB SER 11 7.713 0.624 3.649 78 2HB SER 11 1HB SER 11 7.760 2.137 4.552 79 HG SER 11 HG SER 11 8.349 0.019 5.629 80 H ASN 12 H ASN 12 6.570 2.216 1.969 81 HA ASN 12 HA ASN 12 6.359 5.000 2.171 82 1HB ASN 12 2HB ASN 12 5.694 3.253 -0.220 83 2HB ASN 12 1HB ASN 12 6.280 4.917 -0.272 84 1HD2 ASN 12 1HD2 ASN 12 7.714 2.737 -1.511 85 2HD2 ASN 12 2HD2 ASN 12 9.184 2.545 -0.684 86 H PHE 13 H PHE 13 3.833 2.751 0.976 87 HA PHE 13 HA PHE 13 1.784 4.582 0.432 88 1HB PHE 13 2HB PHE 13 1.505 2.289 -0.116 89 2HB PHE 13 1HB PHE 13 1.854 1.769 1.531 90 HD1 PHE 13 1HD PHE 13 -0.227 0.480 1.721 91 HD2 PHE 13 2HD PHE 13 -0.281 4.687 0.867 92 HE1 PHE 13 1HE PHE 13 -2.644 0.559 2.271 93 HE2 PHE 13 2HE PHE 13 -2.697 4.768 1.416 94 HZ PHE 13 HZ PHE 13 -3.880 2.704 2.118 95 H ASN 14 H ASN 14 2.768 3.238 3.573 96 HA ASN 14 HA ASN 14 0.584 4.491 5.049 97 1HB ASN 14 2HB ASN 14 2.989 2.827 5.521 98 2HB ASN 14 1HB ASN 14 2.531 3.869 6.869 99 1HD2 ASN 14 1HD2 ASN 14 2.231 0.818 6.377 100 2HD2 ASN 14 2HD2 ASN 14 0.599 0.519 6.730 101 H VAL 15 H VAL 15 3.585 5.522 3.772 102 HA VAL 15 HA VAL 15 3.907 7.753 5.692 103 HB VAL 15 HB VAL 15 5.516 6.108 3.970 104 1HG1 VAL 15 1HG1 VAL 15 5.283 7.966 2.319 105 2HG1 VAL 15 2HG1 VAL 15 6.939 7.769 2.895 106 3HG1 VAL 15 3HG1 VAL 15 5.936 9.078 3.523 107 1HG2 VAL 15 1HG2 VAL 15 6.907 8.220 5.411 108 2HG2 VAL 15 2HG2 VAL 15 6.950 6.475 5.660 109 3HG2 VAL 15 3HG2 VAL 15 5.674 7.441 6.402 110 H CYS 16 H CYS 16 2.683 7.080 2.498 111 HA CYS 16 HA CYS 16 2.673 9.918 1.684 112 1HB CYS 16 2HB CYS 16 3.154 8.411 -0.051 113 2HB CYS 16 1HB CYS 16 1.965 7.238 0.509 114 H ARG 17 H ARG 17 0.553 7.675 3.268 115 HA ARG 17 HA ARG 17 -1.896 9.196 2.620 116 1HB ARG 17 2HB ARG 17 -1.971 6.762 2.707 117 2HB ARG 17 1HB ARG 17 -1.262 6.762 4.322 118 1HG ARG 17 2HG ARG 17 -3.234 7.289 5.328 119 2HG ARG 17 1HG ARG 17 -3.703 8.401 4.042 120 1HD ARG 17 2HD ARG 17 -4.284 6.478 2.590 121 2HD ARG 17 1HD ARG 17 -3.850 5.369 3.906 122 HE ARG 17 HE ARG 17 -5.599 7.090 5.140 123 1HH1 ARG 17 1HH1 ARG 17 -5.669 4.621 2.807 124 2HH1 ARG 17 2HH1 ARG 17 -7.381 4.692 2.556 125 1HH2 ARG 17 1HH2 ARG 17 -7.828 7.481 4.566 126 2HH2 ARG 17 2HH2 ARG 17 -8.604 6.312 3.550 127 H LEU 18 H LEU 18 0.654 9.429 4.800 128 HA LEU 18 HA LEU 18 -0.624 10.089 7.259 129 1HB LEU 18 2HB LEU 18 1.948 9.953 6.049 130 2HB LEU 18 1HB LEU 18 1.808 11.533 6.809 131 HG LEU 18 HG LEU 18 1.442 8.824 8.096 132 1HD1 LEU 18 1HD1 LEU 18 3.647 10.533 7.819 133 2HD1 LEU 18 2HD1 LEU 18 3.504 9.176 8.937 134 3HD1 LEU 18 3HD1 LEU 18 3.075 10.802 9.466 135 1HD2 LEU 18 1HD2 LEU 18 1.226 10.925 10.005 136 2HD2 LEU 18 2HD2 LEU 18 -0.010 9.754 9.548 137 3HD2 LEU 18 3HD2 LEU 18 0.100 11.296 8.699 138 HA PRO 19 HA PRO 19 -0.389 14.605 5.676 139 1HB PRO 19 2HB PRO 19 -0.209 15.001 2.976 140 2HB PRO 19 1HB PRO 19 1.209 14.879 4.035 141 1HG PRO 19 2HG PRO 19 0.032 12.859 2.209 142 2HG PRO 19 1HG PRO 19 1.725 13.164 2.619 143 1HD PRO 19 2HD PRO 19 0.212 11.118 3.646 144 2HD PRO 19 1HD PRO 19 1.659 11.786 4.431 145 H GLY 20 H GLY 20 -2.018 12.146 3.759 146 1HA GLY 20 2HA GLY 20 -4.565 12.334 4.190 147 2HA GLY 20 1HA GLY 20 -4.386 13.952 3.513 148 H THR 21 H THR 21 -2.291 11.725 2.012 149 HA THR 21 HA THR 21 -3.591 11.962 -0.510 150 HB THR 21 HB THR 21 -1.551 9.918 0.351 151 HG1 THR 21 1HG THR 21 -0.019 11.577 -0.118 152 1HG2 THR 21 1HG2 THR 21 -2.130 11.379 -2.234 153 2HG2 THR 21 2HG2 THR 21 -2.355 9.660 -1.913 154 3HG2 THR 21 3HG2 THR 21 -0.731 10.340 -1.986 155 HA PRO 22 HA PRO 22 -6.276 8.504 -0.154 156 1HB PRO 22 2HB PRO 22 -6.792 8.215 -2.825 157 2HB PRO 22 1HB PRO 22 -7.509 9.494 -1.829 158 1HG PRO 22 2HG PRO 22 -5.253 9.637 -3.753 159 2HG PRO 22 1HG PRO 22 -6.496 10.842 -3.378 160 1HD PRO 22 2HD PRO 22 -3.907 10.915 -2.408 161 2HD PRO 22 1HD PRO 22 -5.283 11.718 -1.645 162 H GLU 23 H GLU 23 -5.469 6.542 0.222 163 HA GLU 23 HA GLU 23 -3.128 5.319 -0.318 164 1HB GLU 23 2HB GLU 23 -4.559 3.148 -0.529 165 2HB GLU 23 1HB GLU 23 -4.714 4.116 0.935 166 1HG GLU 23 2HG GLU 23 -6.945 3.590 0.239 167 2HG GLU 23 1HG GLU 23 -6.691 5.277 -0.190 168 H ALA 24 H ALA 24 -5.629 5.818 -2.770 169 HA ALA 24 HA ALA 24 -4.634 4.043 -4.774 170 1HB ALA 24 1HB ALA 24 -6.159 6.658 -4.777 171 2HB ALA 24 2HB ALA 24 -6.793 5.031 -5.023 172 3HB ALA 24 3HB ALA 24 -5.808 5.791 -6.272 173 H LEU 25 H LEU 25 -3.826 7.421 -3.964 174 HA LEU 25 HA LEU 25 -1.935 7.751 -6.142 175 1HB LEU 25 2HB LEU 25 -3.254 9.283 -4.192 176 2HB LEU 25 1HB LEU 25 -1.543 9.432 -3.799 177 HG LEU 25 HG LEU 25 -1.751 9.626 -6.620 178 1HD1 LEU 25 1HD1 LEU 25 -3.316 11.915 -5.745 179 2HD1 LEU 25 2HD1 LEU 25 -4.181 10.404 -5.462 180 3HD1 LEU 25 3HD1 LEU 25 -3.615 10.808 -7.084 181 1HD2 LEU 25 1HD2 LEU 25 -1.024 12.013 -6.099 182 2HD2 LEU 25 2HD2 LEU 25 -0.030 10.747 -5.376 183 3HD2 LEU 25 3HD2 LEU 25 -1.216 11.607 -4.393 184 H CYS 26 H CYS 26 -1.708 6.831 -2.713 185 HA CYS 26 HA CYS 26 1.204 6.784 -2.673 186 1HB CYS 26 2HB CYS 26 -0.772 5.403 -0.833 187 2HB CYS 26 1HB CYS 26 0.859 5.931 -0.444 188 H ALA 27 H ALA 27 -1.273 4.589 -3.716 189 HA ALA 27 HA ALA 27 0.578 2.276 -3.638 190 1HB ALA 27 1HB ALA 27 -2.191 2.210 -4.774 191 2HB ALA 27 2HB ALA 27 -2.002 2.413 -3.032 192 3HB ALA 27 3HB ALA 27 -1.353 0.980 -3.830 193 H THR 28 H THR 28 -0.224 4.781 -5.619 194 HA THR 28 HA THR 28 0.099 3.364 -8.189 195 HB THR 28 HB THR 28 -0.777 5.997 -7.140 196 HG1 THR 28 1HG THR 28 -2.403 5.561 -8.435 197 1HG2 THR 28 1HG2 THR 28 1.038 6.861 -8.444 198 2HG2 THR 28 2HG2 THR 28 -0.424 7.069 -9.407 199 3HG2 THR 28 3HG2 THR 28 0.692 5.754 -9.771 200 H TYR 29 H TYR 29 1.886 5.347 -5.914 201 HA TYR 29 HA TYR 29 4.192 5.693 -7.729 202 1HB TYR 29 2HB TYR 29 3.665 7.530 -6.303 203 2HB TYR 29 1HB TYR 29 3.455 6.480 -4.903 204 HD1 TYR 29 1HD TYR 29 5.127 6.794 -3.321 205 HD2 TYR 29 2HD TYR 29 6.145 6.902 -7.493 206 HE1 TYR 29 1HE TYR 29 7.517 7.093 -2.730 207 HE2 TYR 29 2HE TYR 29 8.536 7.202 -6.901 208 HH TYR 29 HH TYR 29 9.875 6.471 -4.242 209 H THR 30 H THR 30 3.249 3.794 -4.874 210 HA THR 30 HA THR 30 5.860 2.586 -4.508 211 HB THR 30 HB THR 30 4.357 1.228 -2.948 212 HG1 THR 30 1HG THR 30 2.320 1.418 -3.247 213 1HG2 THR 30 1HG2 THR 30 4.202 3.013 -1.365 214 2HG2 THR 30 2HG2 THR 30 4.104 4.212 -2.655 215 3HG2 THR 30 3HG2 THR 30 5.615 3.351 -2.364 216 H GLY 31 H GLY 31 2.958 1.899 -6.359 217 1HA GLY 31 2HA GLY 31 2.757 0.292 -8.110 218 2HA GLY 31 1HA GLY 31 4.283 -0.427 -7.591 219 H CYS 32 H CYS 32 1.859 0.236 -5.204 220 HA CYS 32 HA CYS 32 1.312 -2.702 -4.993 221 1HB CYS 32 2HB CYS 32 2.347 -2.342 -3.001 222 2HB CYS 32 1HB CYS 32 2.241 -0.597 -3.177 223 H ILE 33 H ILE 33 -0.854 -3.023 -3.684 224 HA ILE 33 HA ILE 33 -2.894 -1.012 -4.567 225 HB ILE 33 HB ILE 33 -4.304 -2.963 -5.205 226 1HG1 ILE 33 2HG1 ILE 33 -2.437 -5.029 -5.445 227 2HG1 ILE 33 1HG1 ILE 33 -2.136 -4.362 -3.840 228 1HG2 ILE 33 1HG2 ILE 33 -3.285 -3.263 -7.283 229 2HG2 ILE 33 2HG2 ILE 33 -1.664 -3.337 -6.589 230 3HG2 ILE 33 3HG2 ILE 33 -2.498 -1.789 -6.719 231 1HD1 ILE 33 1HD1 ILE 33 -3.825 -5.947 -3.439 232 2HD1 ILE 33 2HD1 ILE 33 -4.675 -5.555 -4.934 233 3HD1 ILE 33 3HD1 ILE 33 -4.724 -4.436 -3.572 234 H ILE 34 H ILE 34 -4.677 -0.813 -3.126 235 HA ILE 34 HA ILE 34 -4.268 -2.089 -0.451 236 HB ILE 34 HB ILE 34 -6.011 0.273 -1.194 237 1HG1 ILE 34 2HG1 ILE 34 -3.817 1.440 -0.156 238 2HG1 ILE 34 1HG1 ILE 34 -3.051 0.046 -0.920 239 1HG2 ILE 34 1HG2 ILE 34 -4.616 -0.519 1.382 240 2HG2 ILE 34 2HG2 ILE 34 -6.327 -0.775 1.039 241 3HG2 ILE 34 3HG2 ILE 34 -5.689 0.863 1.163 242 1HD1 ILE 34 1HD1 ILE 34 -3.818 2.421 -2.190 243 2HD1 ILE 34 2HD1 ILE 34 -5.042 1.244 -2.669 244 3HD1 ILE 34 3HD1 ILE 34 -3.340 0.917 -2.978 245 H ILE 35 H ILE 35 -6.278 -2.765 0.708 246 HA ILE 35 HA ILE 35 -8.651 -3.264 -1.015 247 HB ILE 35 HB ILE 35 -8.539 -5.676 -0.519 248 1HG1 ILE 35 2HG1 ILE 35 -5.859 -5.079 0.768 249 2HG1 ILE 35 1HG1 ILE 35 -7.341 -5.341 1.689 250 1HG2 ILE 35 1HG2 ILE 35 -6.729 -6.221 -1.983 251 2HG2 ILE 35 2HG2 ILE 35 -5.832 -4.773 -1.525 252 3HG2 ILE 35 3HG2 ILE 35 -7.299 -4.632 -2.492 253 1HD1 ILE 35 1HD1 ILE 35 -7.591 -7.562 0.565 254 2HD1 ILE 35 2HD1 ILE 35 -6.127 -7.448 1.542 255 3HD1 ILE 35 3HD1 ILE 35 -6.030 -7.305 -0.214 256 HA PRO 36 HA PRO 36 -10.855 -2.707 2.735 257 1HB PRO 36 2HB PRO 36 -12.923 -4.485 2.456 258 2HB PRO 36 1HB PRO 36 -12.817 -2.971 1.535 259 1HG PRO 36 2HG PRO 36 -12.130 -5.746 0.697 260 2HG PRO 36 1HG PRO 36 -12.933 -4.457 -0.216 261 1HD PRO 36 2HD PRO 36 -10.314 -5.092 -0.551 262 2HD PRO 36 1HD PRO 36 -10.952 -3.451 -0.796 263 H GLY 37 H GLY 37 -10.220 -6.099 1.859 264 1HA GLY 37 2HA GLY 37 -8.811 -6.860 4.105 265 2HA GLY 37 1HA GLY 37 -10.489 -7.057 4.598 266 H ALA 38 H ALA 38 -8.081 -8.841 3.672 267 HA ALA 38 HA ALA 38 -9.707 -11.039 2.705 268 1HB ALA 38 1HB ALA 38 -7.790 -10.281 0.602 269 2HB ALA 38 2HB ALA 38 -9.103 -9.126 0.837 270 3HB ALA 38 3HB ALA 38 -9.467 -10.810 0.458 271 H THR 39 H THR 39 -7.222 -10.149 4.438 272 HA THR 39 HA THR 39 -5.361 -11.269 5.301 273 HB THR 39 HB THR 39 -7.185 -13.165 4.384 274 HG1 THR 39 1HG THR 39 -6.503 -13.840 6.224 275 1HG2 THR 39 1HG2 THR 39 -5.500 -13.415 2.427 276 2HG2 THR 39 2HG2 THR 39 -6.028 -14.881 3.255 277 3HG2 THR 39 3HG2 THR 39 -4.452 -14.181 3.620 278 H CYS 40 H CYS 40 -5.634 -10.194 2.277 279 HA CYS 40 HA CYS 40 -4.102 -9.715 0.546 280 1HB CYS 40 2HB CYS 40 -2.961 -9.232 2.943 281 2HB CYS 40 1HB CYS 40 -1.850 -10.464 2.343 282 HA PRO 41 HA PRO 41 -3.159 -13.686 -1.135 283 1HB PRO 41 2HB PRO 41 -1.887 -12.848 -3.408 284 2HB PRO 41 1HB PRO 41 -3.648 -12.763 -3.200 285 1HG PRO 41 2HG PRO 41 -1.609 -10.614 -2.979 286 2HG PRO 41 1HG PRO 41 -3.263 -10.546 -3.606 287 1HD PRO 41 2HD PRO 41 -2.510 -9.650 -1.120 288 2HD PRO 41 1HD PRO 41 -4.160 -10.153 -1.550 289 H GLY 42 H GLY 42 -1.084 -14.824 -2.041 290 1HA GLY 42 2HA GLY 42 1.093 -14.302 -0.162 291 2HA GLY 42 1HA GLY 42 1.048 -15.595 -1.359 292 H ASP 43 H ASP 43 0.255 -12.959 -3.100 293 HA ASP 43 HA ASP 43 3.081 -12.568 -3.974 294 1HB ASP 43 2HB ASP 43 0.348 -12.383 -5.198 295 2HB ASP 43 1HB ASP 43 1.665 -11.462 -5.924 296 H TYR 44 H TYR 44 0.322 -10.883 -2.617 297 HA TYR 44 HA TYR 44 1.881 -8.320 -2.735 298 1HB TYR 44 2HB TYR 44 -1.110 -8.638 -2.394 299 2HB TYR 44 1HB TYR 44 -0.224 -7.200 -2.901 300 HD1 TYR 44 1HD TYR 44 1.708 -8.513 -4.818 301 HD2 TYR 44 2HD TYR 44 -2.529 -8.978 -4.283 302 HE1 TYR 44 1HE TYR 44 1.483 -9.205 -7.189 303 HE2 TYR 44 2HE TYR 44 -2.753 -9.672 -6.652 304 HH TYR 44 HH TYR 44 0.067 -9.709 -8.828 305 H ALA 45 H ALA 45 1.723 -10.655 -0.689 306 HA ALA 45 HA ALA 45 0.495 -9.372 1.664 307 1HB ALA 45 1HB ALA 45 1.924 -11.941 1.012 308 2HB ALA 45 2HB ALA 45 0.268 -11.712 1.573 309 3HB ALA 45 3HB ALA 45 1.615 -11.503 2.691 310 H ASN 46 H ASN 46 2.829 -8.040 0.314 311 HA ASN 46 HA ASN 46 4.816 -8.164 2.556 312 1HB ASN 46 2HB ASN 46 4.988 -8.273 -0.312 313 2HB ASN 46 1HB ASN 46 5.827 -6.828 0.251 314 1HD2 ASN 46 1HD2 ASN 46 5.486 -10.142 1.654 315 2HD2 ASN 46 2HD2 ASN 46 7.154 -10.388 1.845 Start of MODEL 4 1 1H THR 1 1HT THR 1 -8.168 -2.117 5.458 2 2H THR 1 2HT THR 1 -8.047 -2.031 3.766 3 3H THR 1 3HT THR 1 -7.207 -0.919 4.738 4 HA THR 1 HA THR 1 -5.844 -2.737 5.640 5 HB THR 1 HB THR 1 -7.680 -4.228 3.756 6 HG1 THR 1 1HG THR 1 -6.895 -4.923 6.368 7 1HG2 THR 1 1HG2 THR 1 -5.309 -4.879 3.334 8 2HG2 THR 1 2HG2 THR 1 -6.261 -6.190 4.032 9 3HG2 THR 1 3HG2 THR 1 -5.144 -5.274 5.044 10 H THR 2 H THR 2 -3.819 -3.038 4.603 11 HA THR 2 HA THR 2 -3.644 -1.941 1.822 12 HB THR 2 HB THR 2 -2.613 -0.693 3.762 13 HG1 THR 2 1HG THR 2 -0.388 -0.910 2.606 14 1HG2 THR 2 1HG2 THR 2 -1.315 -1.789 5.223 15 2HG2 THR 2 2HG2 THR 2 -0.274 -2.367 3.922 16 3HG2 THR 2 3HG2 THR 2 -1.708 -3.287 4.379 17 H CYS 3 H CYS 3 -1.688 -2.847 0.598 18 HA CYS 3 HA CYS 3 -0.811 -5.554 1.391 19 1HB CYS 3 2HB CYS 3 -3.004 -4.949 -0.480 20 2HB CYS 3 1HB CYS 3 -1.790 -6.041 -1.143 21 H CYS 4 H CYS 4 1.376 -4.977 1.096 22 HA CYS 4 HA CYS 4 2.118 -3.930 -1.612 23 1HB CYS 4 2HB CYS 4 2.705 -3.109 1.079 24 2HB CYS 4 1HB CYS 4 4.206 -3.583 0.284 25 HA PRO 5 HA PRO 5 4.499 -7.555 -2.202 26 1HB PRO 5 2HB PRO 5 6.462 -6.605 -3.843 27 2HB PRO 5 1HB PRO 5 4.784 -6.828 -4.373 28 1HG PRO 5 2HG PRO 5 6.220 -4.344 -3.638 29 2HG PRO 5 1HG PRO 5 4.943 -4.602 -4.834 30 1HD PRO 5 2HD PRO 5 4.581 -3.488 -2.323 31 2HD PRO 5 1HD PRO 5 3.298 -4.193 -3.327 32 H SER 6 H SER 6 5.543 -5.178 -0.165 33 HA SER 6 HA SER 6 7.719 -6.806 0.883 34 1HB SER 6 2HB SER 6 8.237 -4.386 -0.835 35 2HB SER 6 1HB SER 6 9.391 -4.863 0.405 36 HG SER 6 HG SER 6 9.455 -6.930 -0.590 37 H ILE 7 H ILE 7 8.828 -5.623 2.727 38 HA ILE 7 HA ILE 7 6.893 -4.312 4.420 39 HB ILE 7 HB ILE 7 9.901 -4.306 4.743 40 1HG1 ILE 7 2HG1 ILE 7 9.542 -6.564 4.140 41 2HG1 ILE 7 1HG1 ILE 7 9.433 -6.588 5.897 42 1HG2 ILE 7 1HG2 ILE 7 7.804 -4.862 6.833 43 2HG2 ILE 7 2HG2 ILE 7 8.203 -3.206 6.378 44 3HG2 ILE 7 3HG2 ILE 7 9.448 -4.260 7.050 45 1HD1 ILE 7 1HD1 ILE 7 7.525 -7.790 5.303 46 2HD1 ILE 7 2HD1 ILE 7 7.233 -6.811 3.866 47 3HD1 ILE 7 3HD1 ILE 7 6.873 -6.159 5.465 48 H VAL 8 H VAL 8 9.450 -3.188 2.265 49 HA VAL 8 HA VAL 8 9.328 -0.412 3.210 50 HB VAL 8 HB VAL 8 10.671 -1.949 0.987 51 1HG1 VAL 8 1HG1 VAL 8 10.404 1.039 1.304 52 2HG1 VAL 8 2HG1 VAL 8 10.216 0.067 -0.155 53 3HG1 VAL 8 3HG1 VAL 8 11.820 0.334 0.525 54 1HG2 VAL 8 1HG2 VAL 8 11.428 -0.616 3.555 55 2HG2 VAL 8 2HG2 VAL 8 12.624 -0.644 2.259 56 3HG2 VAL 8 3HG2 VAL 8 11.972 -2.156 2.891 57 H ALA 9 H ALA 9 8.314 -2.184 0.269 58 HA ALA 9 HA ALA 9 7.142 -0.186 -1.249 59 1HB ALA 9 1HB ALA 9 5.870 -2.865 -0.600 60 2HB ALA 9 2HB ALA 9 7.264 -2.689 -1.665 61 3HB ALA 9 3HB ALA 9 5.721 -1.958 -2.105 62 H ARG 10 H ARG 10 5.887 -1.717 1.674 63 HA ARG 10 HA ARG 10 3.328 -0.327 1.624 64 1HB ARG 10 2HB ARG 10 2.974 -2.112 2.958 65 2HB ARG 10 1HB ARG 10 4.684 -2.484 2.920 66 1HG ARG 10 2HG ARG 10 4.810 -0.583 4.773 67 2HG ARG 10 1HG ARG 10 3.115 -1.018 5.002 68 1HD ARG 10 2HD ARG 10 5.519 -2.862 5.158 69 2HD ARG 10 1HD ARG 10 4.409 -2.428 6.469 70 HE ARG 10 HE ARG 10 3.780 -4.230 4.206 71 1HH1 ARG 10 1HH1 ARG 10 3.291 -3.658 7.439 72 2HH1 ARG 10 2HH1 ARG 10 1.591 -3.984 7.438 73 1HH2 ARG 10 1HH2 ARG 10 1.348 -4.119 3.981 74 2HH2 ARG 10 2HH2 ARG 10 0.490 -4.244 5.480 75 H SER 11 H SER 11 6.427 0.042 3.291 76 HA SER 11 HA SER 11 5.793 2.093 5.124 77 1HB SER 11 2HB SER 11 8.110 2.236 5.330 78 2HB SER 11 1HB SER 11 7.958 0.669 4.538 79 HG SER 11 HG SER 11 9.477 2.038 3.496 80 H ASN 12 H ASN 12 6.939 2.409 1.735 81 HA ASN 12 HA ASN 12 6.771 5.296 1.722 82 1HB ASN 12 2HB ASN 12 7.312 5.045 -0.590 83 2HB ASN 12 1HB ASN 12 8.112 3.703 0.222 84 1HD2 ASN 12 1HD2 ASN 12 7.906 1.861 -1.043 85 2HD2 ASN 12 2HD2 ASN 12 6.504 1.406 -1.881 86 H PHE 13 H PHE 13 4.508 2.692 0.918 87 HA PHE 13 HA PHE 13 2.518 4.223 -0.435 88 1HB PHE 13 2HB PHE 13 2.139 1.944 -0.543 89 2HB PHE 13 1HB PHE 13 2.754 1.664 1.081 90 HD1 PHE 13 1HD PHE 13 -0.163 3.094 -0.778 91 HD2 PHE 13 2HD PHE 13 1.274 1.385 2.892 92 HE1 PHE 13 1HE PHE 13 -2.484 3.001 0.090 93 HE2 PHE 13 2HE PHE 13 -1.048 1.292 3.760 94 HZ PHE 13 HZ PHE 13 -2.928 2.102 2.358 95 H ASN 14 H ASN 14 3.084 3.577 2.997 96 HA ASN 14 HA ASN 14 0.787 5.159 3.892 97 1HB ASN 14 2HB ASN 14 3.015 3.542 5.028 98 2HB ASN 14 1HB ASN 14 2.341 4.788 6.081 99 1HD2 ASN 14 1HD2 ASN 14 1.969 2.020 6.680 100 2HD2 ASN 14 2HD2 ASN 14 0.326 1.641 6.488 101 H VAL 15 H VAL 15 4.230 5.638 3.366 102 HA VAL 15 HA VAL 15 4.540 8.100 4.804 103 HB VAL 15 HB VAL 15 5.994 6.304 3.088 104 1HG1 VAL 15 1HG1 VAL 15 7.433 7.869 1.882 105 2HG1 VAL 15 2HG1 VAL 15 6.491 9.233 2.483 106 3HG1 VAL 15 3HG1 VAL 15 5.761 8.084 1.364 107 1HG2 VAL 15 1HG2 VAL 15 6.338 7.803 5.436 108 2HG2 VAL 15 2HG2 VAL 15 7.594 8.371 4.334 109 3HG2 VAL 15 3HG2 VAL 15 7.480 6.656 4.734 110 H CYS 16 H CYS 16 3.378 7.325 1.557 111 HA CYS 16 HA CYS 16 3.299 10.120 0.677 112 1HB CYS 16 2HB CYS 16 3.643 8.585 -1.049 113 2HB CYS 16 1HB CYS 16 2.556 7.395 -0.341 114 H ARG 17 H ARG 17 1.135 7.824 2.212 115 HA ARG 17 HA ARG 17 -1.221 9.593 1.870 116 1HB ARG 17 2HB ARG 17 -1.320 7.115 1.547 117 2HB ARG 17 1HB ARG 17 -0.846 6.903 3.232 118 1HG ARG 17 2HG ARG 17 -3.007 8.725 3.248 119 2HG ARG 17 1HG ARG 17 -3.467 7.425 2.148 120 1HD ARG 17 2HD ARG 17 -2.929 5.750 3.887 121 2HD ARG 17 1HD ARG 17 -2.477 7.057 5.000 122 HE ARG 17 HE ARG 17 -5.027 7.733 4.058 123 1HH1 ARG 17 1HH2 ARG 17 -5.362 4.715 4.071 124 2HH1 ARG 17 2HH2 ARG 17 -5.978 4.446 5.667 125 1HH2 ARG 17 1HH1 ARG 17 -5.040 7.570 6.844 126 2HH2 ARG 17 2HH1 ARG 17 -5.797 6.063 7.236 127 H LEU 18 H LEU 18 1.390 9.623 3.806 128 HA LEU 18 HA LEU 18 0.260 9.767 6.461 129 1HB LEU 18 2HB LEU 18 2.763 9.748 5.112 130 2HB LEU 18 1HB LEU 18 2.727 11.190 6.121 131 HG LEU 18 HG LEU 18 1.948 8.455 7.144 132 1HD1 LEU 18 1HD1 LEU 18 4.121 7.894 7.310 133 2HD1 LEU 18 2HD1 LEU 18 4.465 9.393 8.173 134 3HD1 LEU 18 3HD1 LEU 18 4.540 9.353 6.412 135 1HD2 LEU 18 1HD2 LEU 18 2.336 11.190 8.298 136 2HD2 LEU 18 2HD2 LEU 18 2.762 9.802 9.298 137 3HD2 LEU 18 3HD2 LEU 18 1.117 9.975 8.685 138 HA PRO 19 HA PRO 19 0.612 14.467 5.648 139 1HB PRO 19 2HB PRO 19 0.711 15.323 3.054 140 2HB PRO 19 1HB PRO 19 2.157 14.971 4.018 141 1HG PRO 19 2HG PRO 19 0.853 13.356 1.907 142 2HG PRO 19 1HG PRO 19 2.564 13.503 2.326 143 1HD PRO 19 2HD PRO 19 0.940 11.384 3.016 144 2HD PRO 19 1HD PRO 19 2.459 11.807 3.834 145 H GLY 20 H GLY 20 -0.892 13.570 2.530 146 1HA GLY 20 2HA GLY 20 -3.571 13.695 3.666 147 2HA GLY 20 1HA GLY 20 -3.171 15.115 2.702 148 H THR 21 H THR 21 -1.790 12.016 1.839 149 HA THR 21 HA THR 21 -3.290 12.131 -0.683 150 HB THR 21 HB THR 21 -1.132 10.194 0.141 151 HG1 THR 21 1HG THR 21 0.179 11.850 -1.068 152 1HG2 THR 21 1HG2 THR 21 -0.706 10.242 -2.330 153 2HG2 THR 21 2HG2 THR 21 -2.122 11.276 -2.507 154 3HG2 THR 21 3HG2 THR 21 -2.303 9.631 -1.898 155 HA PRO 22 HA PRO 22 -5.901 8.844 0.616 156 1HB PRO 22 2HB PRO 22 -6.829 8.188 -1.873 157 2HB PRO 22 1HB PRO 22 -7.381 9.614 -0.979 158 1HG PRO 22 2HG PRO 22 -5.426 9.419 -3.210 159 2HG PRO 22 1HG PRO 22 -6.615 10.685 -2.860 160 1HD PRO 22 2HD PRO 22 -3.929 10.901 -2.285 161 2HD PRO 22 1HD PRO 22 -5.199 11.787 -1.431 162 H GLU 23 H GLU 23 -5.032 6.936 1.138 163 HA GLU 23 HA GLU 23 -2.797 5.608 0.362 164 1HB GLU 23 2HB GLU 23 -4.083 3.501 0.919 165 2HB GLU 23 1HB GLU 23 -4.291 4.802 2.091 166 1HG GLU 23 2HG GLU 23 -6.275 5.292 0.196 167 2HG GLU 23 1HG GLU 23 -6.278 3.536 0.367 168 H ALA 24 H ALA 24 -5.743 5.817 -1.565 169 HA ALA 24 HA ALA 24 -5.219 3.737 -3.446 170 1HB ALA 24 1HB ALA 24 -7.367 4.891 -3.208 171 2HB ALA 24 2HB ALA 24 -6.779 5.099 -4.857 172 3HB ALA 24 3HB ALA 24 -6.627 6.416 -3.694 173 H LEU 25 H LEU 25 -4.350 7.219 -3.490 174 HA LEU 25 HA LEU 25 -2.957 7.093 -6.021 175 1HB LEU 25 2HB LEU 25 -3.919 9.010 -4.322 176 2HB LEU 25 1HB LEU 25 -2.186 9.121 -4.011 177 HG LEU 25 HG LEU 25 -2.895 8.887 -6.860 178 1HD1 LEU 25 1HD1 LEU 25 -3.994 10.905 -7.150 179 2HD1 LEU 25 2HD1 LEU 25 -3.354 11.586 -5.654 180 3HD1 LEU 25 3HD1 LEU 25 -4.668 10.411 -5.596 181 1HD2 LEU 25 1HD2 LEU 25 -1.216 10.885 -5.311 182 2HD2 LEU 25 2HD2 LEU 25 -1.167 10.599 -7.051 183 3HD2 LEU 25 3HD2 LEU 25 -0.613 9.350 -5.936 184 H CYS 26 H CYS 26 -1.948 6.764 -2.630 185 HA CYS 26 HA CYS 26 0.900 6.739 -3.198 186 1HB CYS 26 2HB CYS 26 -0.729 5.731 -0.842 187 2HB CYS 26 1HB CYS 26 1.004 6.055 -0.827 188 H ALA 27 H ALA 27 -1.633 4.322 -3.240 189 HA ALA 27 HA ALA 27 0.350 2.122 -3.264 190 1HB ALA 27 1HB ALA 27 -2.626 2.416 -2.994 191 2HB ALA 27 2HB ALA 27 -1.501 1.597 -1.912 192 3HB ALA 27 3HB ALA 27 -1.957 0.848 -3.441 193 H THR 28 H THR 28 -1.307 4.117 -5.344 194 HA THR 28 HA THR 28 -1.309 2.237 -7.638 195 HB THR 28 HB THR 28 -2.483 4.878 -6.870 196 HG1 THR 28 1HG THR 28 -3.817 3.157 -6.727 197 1HG2 THR 28 1HG2 THR 28 -1.611 5.669 -8.873 198 2HG2 THR 28 2HG2 THR 28 -3.175 5.035 -9.384 199 3HG2 THR 28 3HG2 THR 28 -1.709 4.093 -9.657 200 H TYR 29 H TYR 29 0.486 4.832 -6.215 201 HA TYR 29 HA TYR 29 2.074 5.290 -8.695 202 1HB TYR 29 2HB TYR 29 1.112 7.166 -7.320 203 2HB TYR 29 1HB TYR 29 2.122 6.640 -5.973 204 HD1 TYR 29 1HD TYR 29 3.599 8.494 -5.756 205 HD2 TYR 29 2HD TYR 29 3.043 6.622 -9.580 206 HE1 TYR 29 1HE TYR 29 5.497 9.802 -6.671 207 HE2 TYR 29 2HE TYR 29 4.941 7.929 -10.496 208 HH TYR 29 HH TYR 29 6.633 10.350 -8.508 209 H THR 30 H THR 30 2.147 3.705 -5.611 210 HA THR 30 HA THR 30 5.079 3.225 -5.905 211 HB THR 30 HB THR 30 3.740 4.315 -3.845 212 HG1 THR 30 1HG THR 30 6.091 3.533 -4.290 213 1HG2 THR 30 1HG2 THR 30 2.485 2.073 -3.619 214 2HG2 THR 30 2HG2 THR 30 3.167 2.785 -2.155 215 3HG2 THR 30 3HG2 THR 30 3.998 1.451 -2.958 216 H GLY 31 H GLY 31 2.070 1.738 -6.361 217 1HA GLY 31 2HA GLY 31 2.016 -0.504 -7.340 218 2HA GLY 31 1HA GLY 31 3.417 -0.926 -6.359 219 H CYS 32 H CYS 32 2.338 0.218 -3.884 220 HA CYS 32 HA CYS 32 1.138 -1.972 -2.667 221 1HB CYS 32 2HB CYS 32 1.679 0.740 -2.106 222 2HB CYS 32 1HB CYS 32 -0.019 0.500 -1.696 223 H ILE 33 H ILE 33 -1.243 -1.973 -1.792 224 HA ILE 33 HA ILE 33 -3.252 -0.847 -3.631 225 HB ILE 33 HB ILE 33 -4.096 -3.159 -4.179 226 1HG1 ILE 33 2HG1 ILE 33 -1.393 -4.037 -3.128 227 2HG1 ILE 33 1HG1 ILE 33 -2.894 -4.223 -2.221 228 1HG2 ILE 33 1HG2 ILE 33 -2.565 -3.488 -5.974 229 2HG2 ILE 33 2HG2 ILE 33 -1.224 -2.804 -5.054 230 3HG2 ILE 33 3HG2 ILE 33 -2.516 -1.757 -5.641 231 1HD1 ILE 33 1HD1 ILE 33 -1.848 -5.899 -4.306 232 2HD1 ILE 33 2HD1 ILE 33 -3.384 -5.214 -4.836 233 3HD1 ILE 33 3HD1 ILE 33 -3.300 -6.133 -3.334 234 H ILE 34 H ILE 34 -5.311 -0.824 -2.666 235 HA ILE 34 HA ILE 34 -5.409 -1.766 0.169 236 HB ILE 34 HB ILE 34 -7.005 0.293 -1.388 237 1HG1 ILE 34 2HG1 ILE 34 -5.672 1.658 0.522 238 2HG1 ILE 34 1HG1 ILE 34 -4.523 0.353 0.247 239 1HG2 ILE 34 1HG2 ILE 34 -6.939 0.031 1.608 240 2HG2 ILE 34 2HG2 ILE 34 -8.050 -0.963 0.666 241 3HG2 ILE 34 3HG2 ILE 34 -8.157 0.795 0.588 242 1HD1 ILE 34 1HD1 ILE 34 -4.106 2.314 -1.234 243 2HD1 ILE 34 2HD1 ILE 34 -5.708 2.089 -1.936 244 3HD1 ILE 34 3HD1 ILE 34 -4.473 0.847 -2.141 245 H ILE 35 H ILE 35 -7.031 -3.190 0.796 246 HA ILE 35 HA ILE 35 -9.336 -3.738 -0.935 247 HB ILE 35 HB ILE 35 -8.572 -6.222 -1.047 248 1HG1 ILE 35 2HG1 ILE 35 -5.983 -6.261 -1.243 249 2HG1 ILE 35 1HG1 ILE 35 -6.023 -4.796 -0.266 250 1HG2 ILE 35 1HG2 ILE 35 -8.608 -4.371 -2.889 251 2HG2 ILE 35 2HG2 ILE 35 -7.686 -5.845 -3.184 252 3HG2 ILE 35 3HG2 ILE 35 -6.856 -4.371 -2.685 253 1HD1 ILE 35 1HD1 ILE 35 -6.501 -5.952 1.615 254 2HD1 ILE 35 2HD1 ILE 35 -6.069 -7.400 0.705 255 3HD1 ILE 35 3HD1 ILE 35 -7.755 -6.892 0.807 256 HA PRO 36 HA PRO 36 -10.736 -4.682 3.157 257 1HB PRO 36 2HB PRO 36 -13.291 -5.381 2.483 258 2HB PRO 36 1HB PRO 36 -12.733 -3.697 2.527 259 1HG PRO 36 2HG PRO 36 -13.156 -5.490 0.199 260 2HG PRO 36 1HG PRO 36 -13.420 -3.747 0.346 261 1HD PRO 36 2HD PRO 36 -11.245 -4.902 -0.889 262 2HD PRO 36 1HD PRO 36 -11.274 -3.254 -0.227 263 H GLY 37 H GLY 37 -9.171 -6.664 2.805 264 1HA GLY 37 2HA GLY 37 -10.356 -9.018 3.712 265 2HA GLY 37 1HA GLY 37 -10.330 -9.173 1.958 266 H ALA 38 H ALA 38 -8.764 -10.424 4.285 267 HA ALA 38 HA ALA 38 -5.972 -9.683 3.687 268 1HB ALA 38 1HB ALA 38 -7.289 -11.800 5.415 269 2HB ALA 38 2HB ALA 38 -6.687 -10.233 5.958 270 3HB ALA 38 3HB ALA 38 -5.557 -11.467 5.396 271 H THR 39 H THR 39 -8.035 -11.173 1.813 272 HA THR 39 HA THR 39 -6.704 -13.723 1.299 273 HB THR 39 HB THR 39 -9.191 -12.851 1.036 274 HG1 THR 39 1HG THR 39 -8.901 -14.932 0.629 275 1HG2 THR 39 1HG2 THR 39 -9.776 -11.932 -0.990 276 2HG2 THR 39 2HG2 THR 39 -8.408 -12.661 -1.832 277 3HG2 THR 39 3HG2 THR 39 -8.162 -11.246 -0.810 278 H CYS 40 H CYS 40 -5.604 -10.796 0.825 279 HA CYS 40 HA CYS 40 -4.967 -10.194 -1.777 280 1HB CYS 40 2HB CYS 40 -3.710 -9.978 0.860 281 2HB CYS 40 1HB CYS 40 -2.527 -9.996 -0.448 282 HA PRO 41 HA PRO 41 -2.725 -13.512 -3.557 283 1HB PRO 41 2HB PRO 41 -0.792 -12.199 -4.988 284 2HB PRO 41 1HB PRO 41 -2.499 -12.237 -5.469 285 1HG PRO 41 2HG PRO 41 -0.979 -10.093 -4.069 286 2HG PRO 41 1HG PRO 41 -2.207 -9.959 -5.337 287 1HD PRO 41 2HD PRO 41 -2.736 -9.506 -2.713 288 2HD PRO 41 1HD PRO 41 -3.949 -10.132 -3.854 289 H GLY 42 H GLY 42 -0.441 -14.479 -3.675 290 1HA GLY 42 2HA GLY 42 0.830 -14.187 -1.064 291 2HA GLY 42 1HA GLY 42 1.313 -15.314 -2.327 292 H ASP 43 H ASP 43 1.054 -12.269 -3.696 293 HA ASP 43 HA ASP 43 4.004 -11.847 -3.375 294 1HB ASP 43 2HB ASP 43 3.834 -10.818 -5.613 295 2HB ASP 43 1HB ASP 43 3.159 -12.447 -5.635 296 H TYR 44 H TYR 44 0.857 -10.496 -2.924 297 HA TYR 44 HA TYR 44 2.087 -7.871 -2.147 298 1HB TYR 44 2HB TYR 44 -0.683 -8.468 -3.240 299 2HB TYR 44 1HB TYR 44 -0.020 -6.869 -2.909 300 HD1 TYR 44 1HD TYR 44 -1.039 -8.129 -5.617 301 HD2 TYR 44 2HD TYR 44 2.839 -7.553 -3.869 302 HE1 TYR 44 1HE TYR 44 -0.031 -8.063 -7.882 303 HE2 TYR 44 2HE TYR 44 3.851 -7.487 -6.133 304 HH TYR 44 HH TYR 44 2.930 -8.591 -8.590 305 H ALA 45 H ALA 45 1.254 -10.541 -0.716 306 HA ALA 45 HA ALA 45 -0.837 -9.578 1.141 307 1HB ALA 45 1HB ALA 45 0.210 -12.005 2.036 308 2HB ALA 45 2HB ALA 45 0.407 -12.079 0.285 309 3HB ALA 45 3HB ALA 45 -1.190 -11.811 0.981 310 H ASN 46 H ASN 46 1.806 -8.194 1.085 311 HA ASN 46 HA ASN 46 2.317 -8.244 3.974 312 1HB ASN 46 2HB ASN 46 4.539 -9.109 3.848 313 2HB ASN 46 1HB ASN 46 3.561 -10.198 2.866 314 1HD2 ASN 46 1HD2 ASN 46 6.514 -9.408 2.646 315 2HD2 ASN 46 2HD2 ASN 46 6.691 -8.890 1.040 Start of MODEL 5 1 1H THR 1 1HT THR 1 -9.743 -3.042 2.325 2 2H THR 1 2HT THR 1 -8.970 -1.682 1.666 3 3H THR 1 3HT THR 1 -9.567 -1.634 3.255 4 HA THR 1 HA THR 1 -7.573 -2.271 3.991 5 HB THR 1 HB THR 1 -8.498 -4.645 2.364 6 HG1 THR 1 1HG THR 1 -9.434 -5.117 4.172 7 1HG2 THR 1 1HG2 THR 1 -6.123 -4.912 2.388 8 2HG2 THR 1 2HG2 THR 1 -6.739 -5.923 3.695 9 3HG2 THR 1 3HG2 THR 1 -6.010 -4.359 4.059 10 H THR 2 H THR 2 -5.275 -2.666 3.383 11 HA THR 2 HA THR 2 -4.725 -2.078 0.493 12 HB THR 2 HB THR 2 -3.414 -0.978 3.000 13 HG1 THR 2 1HG THR 2 -4.712 0.637 2.726 14 1HG2 THR 2 1HG2 THR 2 -1.633 -0.860 1.576 15 2HG2 THR 2 2HG2 THR 2 -2.493 0.556 0.974 16 3HG2 THR 2 3HG2 THR 2 -2.643 -0.989 0.136 17 H CYS 3 H CYS 3 -2.550 -2.827 -0.202 18 HA CYS 3 HA CYS 3 -1.235 -4.814 1.580 19 1HB CYS 3 2HB CYS 3 -2.772 -5.312 -0.943 20 2HB CYS 3 1HB CYS 3 -1.359 -6.313 -0.613 21 H CYS 4 H CYS 4 0.910 -5.398 0.806 22 HA CYS 4 HA CYS 4 1.971 -3.886 -1.521 23 1HB CYS 4 2HB CYS 4 3.004 -3.683 1.328 24 2HB CYS 4 1HB CYS 4 3.746 -2.922 -0.078 25 HA PRO 5 HA PRO 5 3.990 -7.820 -1.753 26 1HB PRO 5 2HB PRO 5 5.376 -7.336 -4.052 27 2HB PRO 5 1HB PRO 5 3.638 -7.685 -4.022 28 1HG PRO 5 2HG PRO 5 5.043 -5.103 -4.369 29 2HG PRO 5 1HG PRO 5 3.510 -5.660 -5.055 30 1HD PRO 5 2HD PRO 5 3.769 -3.923 -2.911 31 2HD PRO 5 1HD PRO 5 2.312 -4.859 -3.305 32 H SER 6 H SER 6 5.373 -5.434 -0.242 33 HA SER 6 HA SER 6 7.873 -6.713 0.200 34 1HB SER 6 2HB SER 6 9.057 -4.661 -1.164 35 2HB SER 6 1HB SER 6 8.785 -6.263 -1.840 36 HG SER 6 HG SER 6 7.818 -3.997 -2.705 37 H ILE 7 H ILE 7 9.404 -5.304 1.432 38 HA ILE 7 HA ILE 7 8.052 -3.644 3.348 39 HB ILE 7 HB ILE 7 10.996 -3.851 2.619 40 1HG1 ILE 7 2HG1 ILE 7 9.520 -5.401 4.752 41 2HG1 ILE 7 1HG1 ILE 7 9.696 -6.024 3.113 42 1HG2 ILE 7 1HG2 ILE 7 11.044 -3.453 5.232 43 2HG2 ILE 7 2HG2 ILE 7 9.464 -2.725 4.941 44 3HG2 ILE 7 3HG2 ILE 7 10.894 -2.083 4.131 45 1HD1 ILE 7 1HD1 ILE 7 11.914 -5.315 5.051 46 2HD1 ILE 7 2HD1 ILE 7 12.190 -5.677 3.348 47 3HD1 ILE 7 3HD1 ILE 7 11.521 -6.913 4.414 48 H VAL 8 H VAL 8 9.752 -2.998 0.338 49 HA VAL 8 HA VAL 8 10.060 -0.149 0.663 50 HB VAL 8 HB VAL 8 9.750 -1.895 -1.806 51 1HG1 VAL 8 1HG1 VAL 8 11.474 0.366 -2.159 52 2HG1 VAL 8 2HG1 VAL 8 9.934 0.936 -1.516 53 3HG1 VAL 8 3HG1 VAL 8 9.973 -0.004 -3.006 54 1HG2 VAL 8 1HG2 VAL 8 11.602 -2.427 -0.092 55 2HG2 VAL 8 2HG2 VAL 8 12.313 -0.884 -0.564 56 3HG2 VAL 8 3HG2 VAL 8 12.112 -2.164 -1.759 57 H ALA 9 H ALA 9 7.617 -2.121 -1.053 58 HA ALA 9 HA ALA 9 5.878 -0.039 -1.865 59 1HB ALA 9 1HB ALA 9 5.399 -2.900 -0.962 60 2HB ALA 9 2HB ALA 9 5.679 -2.347 -2.613 61 3HB ALA 9 3HB ALA 9 4.185 -1.921 -1.783 62 H ARG 10 H ARG 10 5.332 -2.186 0.953 63 HA ARG 10 HA ARG 10 3.390 -0.662 2.276 64 1HB ARG 10 2HB ARG 10 4.400 -3.000 2.698 65 2HB ARG 10 1HB ARG 10 5.645 -2.161 3.622 66 1HG ARG 10 2HG ARG 10 3.965 -2.765 5.206 67 2HG ARG 10 1HG ARG 10 3.729 -1.042 4.898 68 1HD ARG 10 2HD ARG 10 1.593 -1.526 4.322 69 2HD ARG 10 1HD ARG 10 2.232 -2.390 2.913 70 HE ARG 10 HE ARG 10 2.124 -4.446 4.151 71 1HH1 ARG 10 1HH1 ARG 10 2.968 -3.436 6.830 72 2HH1 ARG 10 2HH1 ARG 10 1.505 -3.555 7.750 73 1HH2 ARG 10 1HH2 ARG 10 -0.538 -3.840 4.963 74 2HH2 ARG 10 2HH2 ARG 10 -0.478 -3.783 6.693 75 H SER 11 H SER 11 6.809 -0.075 1.947 76 HA SER 11 HA SER 11 7.037 1.765 4.200 77 1HB SER 11 2HB SER 11 9.034 0.701 3.663 78 2HB SER 11 1HB SER 11 8.720 0.766 1.932 79 HG SER 11 HG SER 11 10.197 2.398 3.342 80 H ASN 12 H ASN 12 7.463 2.298 0.671 81 HA ASN 12 HA ASN 12 7.233 5.142 0.806 82 1HB ASN 12 2HB ASN 12 6.680 4.789 -1.693 83 2HB ASN 12 1HB ASN 12 8.210 4.143 -1.115 84 1HD2 ASN 12 1HD2 ASN 12 8.520 2.192 -2.198 85 2HD2 ASN 12 2HD2 ASN 12 7.351 0.973 -2.350 86 H PHE 13 H PHE 13 4.790 2.607 0.334 87 HA PHE 13 HA PHE 13 2.581 4.264 -0.360 88 1HB PHE 13 2HB PHE 13 2.234 1.976 -0.632 89 2HB PHE 13 1HB PHE 13 3.035 1.572 0.886 90 HD1 PHE 13 1HD PHE 13 1.361 0.265 1.973 91 HD2 PHE 13 2HD PHE 13 0.377 4.125 0.370 92 HE1 PHE 13 1HE PHE 13 -0.834 0.185 3.126 93 HE2 PHE 13 2HE PHE 13 -1.812 4.049 1.522 94 HZ PHE 13 HZ PHE 13 -2.422 2.077 2.900 95 H ASN 14 H ASN 14 3.755 3.204 2.852 96 HA ASN 14 HA ASN 14 1.697 4.583 4.340 97 1HB ASN 14 2HB ASN 14 2.900 3.761 6.183 98 2HB ASN 14 1HB ASN 14 3.373 2.632 4.920 99 1HD2 ASN 14 1HD2 ASN 14 5.547 2.182 5.229 100 2HD2 ASN 14 2HD2 ASN 14 6.752 3.339 5.534 101 H VAL 15 H VAL 15 4.770 5.435 2.985 102 HA VAL 15 HA VAL 15 5.280 7.851 4.449 103 HB VAL 15 HB VAL 15 6.365 6.206 2.369 104 1HG1 VAL 15 1HG1 VAL 15 5.660 7.867 0.735 105 2HG1 VAL 15 2HG1 VAL 15 7.407 7.972 0.953 106 3HG1 VAL 15 3HG1 VAL 15 6.351 9.164 1.708 107 1HG2 VAL 15 1HG2 VAL 15 8.423 7.651 2.988 108 2HG2 VAL 15 2HG2 VAL 15 7.672 6.676 4.252 109 3HG2 VAL 15 3HG2 VAL 15 7.347 8.407 4.164 110 H CYS 16 H CYS 16 3.165 7.090 1.772 111 HA CYS 16 HA CYS 16 2.834 9.938 1.030 112 1HB CYS 16 2HB CYS 16 2.951 8.403 -0.771 113 2HB CYS 16 1HB CYS 16 1.870 7.262 0.024 114 H ARG 17 H ARG 17 1.232 7.494 2.946 115 HA ARG 17 HA ARG 17 -1.314 8.996 3.066 116 1HB ARG 17 2HB ARG 17 -0.479 6.322 3.285 117 2HB ARG 17 1HB ARG 17 -0.959 6.777 4.920 118 1HG ARG 17 2HG ARG 17 -3.120 7.623 4.031 119 2HG ARG 17 1HG ARG 17 -2.643 7.089 2.418 120 1HD ARG 17 2HD ARG 17 -2.914 4.844 2.930 121 2HD ARG 17 1HD ARG 17 -2.532 5.085 4.647 122 HE ARG 17 HE ARG 17 -4.955 6.486 3.847 123 1HH1 ARG 17 1HH2 ARG 17 -3.754 4.408 6.093 124 2HH1 ARG 17 2HH2 ARG 17 -5.146 3.380 6.194 125 1HH2 ARG 17 1HH1 ARG 17 -6.694 4.761 3.416 126 2HH2 ARG 17 2HH1 ARG 17 -6.809 3.579 4.677 127 H LEU 18 H LEU 18 1.634 9.427 4.409 128 HA LEU 18 HA LEU 18 1.163 9.605 7.219 129 1HB LEU 18 2HB LEU 18 3.197 10.016 5.285 130 2HB LEU 18 1HB LEU 18 3.085 11.500 6.225 131 HG LEU 18 HG LEU 18 3.420 8.700 7.333 132 1HD1 LEU 18 1HD1 LEU 18 5.262 11.093 7.100 133 2HD1 LEU 18 2HD1 LEU 18 5.510 9.474 6.448 134 3HD1 LEU 18 3HD1 LEU 18 5.585 9.744 8.188 135 1HD2 LEU 18 1HD2 LEU 18 2.000 10.379 8.678 136 2HD2 LEU 18 2HD2 LEU 18 3.488 11.303 8.874 137 3HD2 LEU 18 3HD2 LEU 18 3.377 9.663 9.512 138 HA PRO 19 HA PRO 19 0.235 14.202 6.342 139 1HB PRO 19 2HB PRO 19 -0.310 14.949 3.770 140 2HB PRO 19 1HB PRO 19 1.323 14.974 4.464 141 1HG PRO 19 2HG PRO 19 0.084 13.017 2.618 142 2HG PRO 19 1HG PRO 19 1.763 13.560 2.732 143 1HD PRO 19 2HD PRO 19 0.802 11.161 3.703 144 2HD PRO 19 1HD PRO 19 2.301 11.948 4.238 145 H GLY 20 H GLY 20 -1.521 12.923 3.524 146 1HA GLY 20 2HA GLY 20 -3.892 12.246 4.995 147 2HA GLY 20 1HA GLY 20 -4.054 13.858 4.294 148 H THR 21 H THR 21 -2.134 11.394 2.690 149 HA THR 21 HA THR 21 -3.840 11.615 0.347 150 HB THR 21 HB THR 21 -1.567 9.693 0.727 151 HG1 THR 21 1HG THR 21 -0.140 11.303 0.592 152 1HG2 THR 21 1HG2 THR 21 -1.193 10.532 -1.691 153 2HG2 THR 21 2HG2 THR 21 -2.795 11.240 -1.550 154 3HG2 THR 21 3HG2 THR 21 -2.586 9.496 -1.392 155 HA PRO 22 HA PRO 22 -6.103 7.954 1.249 156 1HB PRO 22 2HB PRO 22 -7.141 7.613 -1.261 157 2HB PRO 22 1HB PRO 22 -7.747 8.830 -0.124 158 1HG PRO 22 2HG PRO 22 -5.941 9.157 -2.462 159 2HG PRO 22 1HG PRO 22 -7.194 10.245 -1.843 160 1HD PRO 22 2HD PRO 22 -4.491 10.586 -1.396 161 2HD PRO 22 1HD PRO 22 -5.761 11.238 -0.351 162 H GLU 23 H GLU 23 -5.163 5.988 1.330 163 HA GLU 23 HA GLU 23 -2.826 5.100 0.228 164 1HB GLU 23 2HB GLU 23 -3.481 3.293 1.426 165 2HB GLU 23 1HB GLU 23 -5.038 4.080 1.640 166 1HG GLU 23 2HG GLU 23 -5.656 2.033 0.722 167 2HG GLU 23 1HG GLU 23 -5.576 3.049 -0.714 168 H ALA 24 H ALA 24 -5.855 5.487 -1.487 169 HA ALA 24 HA ALA 24 -5.398 3.776 -3.725 170 1HB ALA 24 1HB ALA 24 -7.411 4.664 -4.262 171 2HB ALA 24 2HB ALA 24 -6.726 6.288 -4.352 172 3HB ALA 24 3HB ALA 24 -7.278 5.649 -2.804 173 H LEU 25 H LEU 25 -4.710 7.278 -3.320 174 HA LEU 25 HA LEU 25 -3.357 7.535 -5.856 175 1HB LEU 25 2HB LEU 25 -4.350 9.162 -3.839 176 2HB LEU 25 1HB LEU 25 -2.606 9.400 -3.722 177 HG LEU 25 HG LEU 25 -3.443 9.371 -6.496 178 1HD1 LEU 25 1HD1 LEU 25 -5.579 10.195 -5.473 179 2HD1 LEU 25 2HD1 LEU 25 -4.796 11.391 -6.507 180 3HD1 LEU 25 3HD1 LEU 25 -4.673 11.526 -4.753 181 1HD2 LEU 25 1HD2 LEU 25 -1.370 10.365 -5.218 182 2HD2 LEU 25 2HD2 LEU 25 -2.418 11.766 -4.996 183 3HD2 LEU 25 3HD2 LEU 25 -2.012 11.218 -6.622 184 H CYS 26 H CYS 26 -2.284 6.640 -2.603 185 HA CYS 26 HA CYS 26 0.556 6.976 -3.208 186 1HB CYS 26 2HB CYS 26 -0.768 5.386 -0.993 187 2HB CYS 26 1HB CYS 26 0.846 6.085 -0.987 188 H ALA 27 H ALA 27 -1.654 4.156 -2.925 189 HA ALA 27 HA ALA 27 0.387 2.229 -3.568 190 1HB ALA 27 1HB ALA 27 -2.111 1.199 -4.305 191 2HB ALA 27 2HB ALA 27 -2.465 2.359 -3.029 192 3HB ALA 27 3HB ALA 27 -1.346 1.033 -2.725 193 H THR 28 H THR 28 -1.271 4.491 -5.375 194 HA THR 28 HA THR 28 -1.292 3.119 -7.947 195 HB THR 28 HB THR 28 -2.360 5.429 -6.699 196 HG1 THR 28 1HG THR 28 -3.472 5.527 -8.771 197 1HG2 THR 28 1HG2 THR 28 -0.502 6.769 -7.514 198 2HG2 THR 28 2HG2 THR 28 -1.950 7.164 -8.442 199 3HG2 THR 28 3HG2 THR 28 -0.710 6.122 -9.141 200 H TYR 29 H TYR 29 0.678 5.690 -6.450 201 HA TYR 29 HA TYR 29 2.642 5.545 -8.677 202 1HB TYR 29 2HB TYR 29 1.648 7.659 -7.564 203 2HB TYR 29 1HB TYR 29 2.710 7.288 -6.206 204 HD1 TYR 29 1HD TYR 29 3.318 6.792 -9.851 205 HD2 TYR 29 2HD TYR 29 4.381 8.966 -6.305 206 HE1 TYR 29 1HE TYR 29 5.210 7.842 -11.065 207 HE2 TYR 29 2HE TYR 29 6.275 10.014 -7.516 208 HH TYR 29 HH TYR 29 6.568 10.307 -10.565 209 H THR 30 H THR 30 2.447 5.069 -5.168 210 HA THR 30 HA THR 30 5.212 4.379 -4.796 211 HB THR 30 HB THR 30 3.174 5.073 -3.210 212 HG1 THR 30 1HG THR 30 4.790 5.010 -1.910 213 1HG2 THR 30 1HG2 THR 30 2.138 3.318 -2.087 214 2HG2 THR 30 2HG2 THR 30 3.376 2.154 -2.559 215 3HG2 THR 30 3HG2 THR 30 2.194 2.710 -3.742 216 H GLY 31 H GLY 31 2.342 2.483 -5.665 217 1HA GLY 31 2HA GLY 31 2.967 0.458 -7.079 218 2HA GLY 31 1HA GLY 31 4.118 0.072 -5.801 219 H CYS 32 H CYS 32 2.602 0.480 -3.509 220 HA CYS 32 HA CYS 32 1.251 -1.896 -3.064 221 1HB CYS 32 2HB CYS 32 0.779 0.906 -2.016 222 2HB CYS 32 1HB CYS 32 -0.030 -0.503 -1.330 223 H ILE 33 H ILE 33 -1.213 -2.176 -2.737 224 HA ILE 33 HA ILE 33 -2.838 -0.637 -4.707 225 HB ILE 33 HB ILE 33 -3.643 -2.933 -5.544 226 1HG1 ILE 33 2HG1 ILE 33 -1.067 -4.142 -4.862 227 2HG1 ILE 33 1HG1 ILE 33 -2.056 -3.819 -3.438 228 1HG2 ILE 33 1HG2 ILE 33 -1.705 -3.163 -7.069 229 2HG2 ILE 33 2HG2 ILE 33 -0.762 -2.108 -6.016 230 3HG2 ILE 33 3HG2 ILE 33 -2.169 -1.473 -6.868 231 1HD1 ILE 33 1HD1 ILE 33 -2.631 -5.605 -5.778 232 2HD1 ILE 33 2HD1 ILE 33 -3.979 -4.866 -4.913 233 3HD1 ILE 33 3HD1 ILE 33 -2.851 -5.916 -4.056 234 H ILE 34 H ILE 34 -5.087 -0.678 -4.216 235 HA ILE 34 HA ILE 34 -5.756 -1.346 -1.444 236 HB ILE 34 HB ILE 34 -7.111 -0.087 -3.826 237 1HG1 ILE 34 2HG1 ILE 34 -7.357 1.738 -2.001 238 2HG1 ILE 34 1HG1 ILE 34 -6.207 0.774 -1.077 239 1HG2 ILE 34 1HG2 ILE 34 -8.913 -1.337 -2.864 240 2HG2 ILE 34 2HG2 ILE 34 -9.071 0.304 -2.239 241 3HG2 ILE 34 3HG2 ILE 34 -8.385 -0.964 -1.223 242 1HD1 ILE 34 1HD1 ILE 34 -5.743 1.848 -3.872 243 2HD1 ILE 34 2HD1 ILE 34 -4.592 0.903 -2.927 244 3HD1 ILE 34 3HD1 ILE 34 -5.056 2.518 -2.393 245 H ILE 35 H ILE 35 -6.963 -3.109 -0.767 246 HA ILE 35 HA ILE 35 -8.103 -4.919 -2.865 247 HB ILE 35 HB ILE 35 -7.132 -6.804 -1.570 248 1HG1 ILE 35 2HG1 ILE 35 -5.209 -5.384 -0.014 249 2HG1 ILE 35 1HG1 ILE 35 -6.796 -4.722 0.375 250 1HG2 ILE 35 1HG2 ILE 35 -5.705 -4.830 -3.091 251 2HG2 ILE 35 2HG2 ILE 35 -5.396 -6.563 -2.982 252 3HG2 ILE 35 3HG2 ILE 35 -4.638 -5.458 -1.835 253 1HD1 ILE 35 1HD1 ILE 35 -6.899 -7.618 0.165 254 2HD1 ILE 35 2HD1 ILE 35 -7.377 -6.580 1.509 255 3HD1 ILE 35 3HD1 ILE 35 -5.702 -7.108 1.356 256 HA PRO 36 HA PRO 36 -11.494 -4.671 -0.012 257 1HB PRO 36 2HB PRO 36 -13.187 -6.322 -1.380 258 2HB PRO 36 1HB PRO 36 -12.858 -4.652 -1.880 259 1HG PRO 36 2HG PRO 36 -11.845 -7.195 -3.003 260 2HG PRO 36 1HG PRO 36 -12.187 -5.659 -3.809 261 1HD PRO 36 2HD PRO 36 -9.663 -6.586 -3.101 262 2HD PRO 36 1HD PRO 36 -10.074 -4.904 -3.496 263 H GLY 37 H GLY 37 -9.365 -7.140 -0.340 264 1HA GLY 37 2HA GLY 37 -10.938 -9.246 0.985 265 2HA GLY 37 1HA GLY 37 -9.244 -9.359 0.510 266 H ALA 38 H ALA 38 -8.309 -9.918 2.429 267 HA ALA 38 HA ALA 38 -8.215 -7.841 4.531 268 1HB ALA 38 1HB ALA 38 -9.884 -8.880 5.664 269 2HB ALA 38 2HB ALA 38 -8.694 -10.134 6.013 270 3HB ALA 38 3HB ALA 38 -9.787 -10.315 4.641 271 H THR 39 H THR 39 -7.297 -11.228 3.753 272 HA THR 39 HA THR 39 -4.675 -10.715 5.053 273 HB THR 39 HB THR 39 -6.453 -12.735 5.356 274 HG1 THR 39 1HG THR 39 -4.945 -13.181 6.711 275 1HG2 THR 39 1HG2 THR 39 -5.697 -14.711 4.184 276 2HG2 THR 39 2HG2 THR 39 -4.394 -13.806 3.413 277 3HG2 THR 39 3HG2 THR 39 -6.073 -13.469 2.990 278 H CYS 40 H CYS 40 -5.963 -10.427 2.105 279 HA CYS 40 HA CYS 40 -5.113 -10.458 -0.108 280 1HB CYS 40 2HB CYS 40 -3.195 -9.444 1.837 281 2HB CYS 40 1HB CYS 40 -2.388 -10.076 0.402 282 HA PRO 41 HA PRO 41 -3.225 -14.261 -1.245 283 1HB PRO 41 2HB PRO 41 -1.403 -13.571 -3.170 284 2HB PRO 41 1HB PRO 41 -3.156 -13.516 -3.440 285 1HG PRO 41 2HG PRO 41 -1.262 -11.304 -2.828 286 2HG PRO 41 1HG PRO 41 -2.654 -11.329 -3.922 287 1HD PRO 41 2HD PRO 41 -2.712 -10.202 -1.436 288 2HD PRO 41 1HD PRO 41 -4.144 -10.869 -2.250 289 H GLY 42 H GLY 42 -0.538 -14.784 -2.088 290 1HA GLY 42 2HA GLY 42 0.863 -14.445 0.511 291 2HA GLY 42 1HA GLY 42 1.260 -15.649 -0.714 292 H ASP 43 H ASP 43 0.805 -13.055 -2.572 293 HA ASP 43 HA ASP 43 3.699 -12.313 -2.460 294 1HB ASP 43 2HB ASP 43 1.699 -12.859 -4.502 295 2HB ASP 43 1HB ASP 43 2.484 -11.303 -4.783 296 H TYR 44 H TYR 44 0.502 -11.072 -1.953 297 HA TYR 44 HA TYR 44 1.574 -8.271 -1.870 298 1HB TYR 44 2HB TYR 44 -1.264 -9.310 -2.160 299 2HB TYR 44 1HB TYR 44 -0.759 -7.624 -2.283 300 HD1 TYR 44 1HD TYR 44 1.921 -8.311 -3.711 301 HD2 TYR 44 2HD TYR 44 -2.159 -9.427 -4.425 302 HE1 TYR 44 1HE TYR 44 2.433 -8.629 -6.116 303 HE2 TYR 44 2HE TYR 44 -1.654 -9.745 -6.833 304 HH TYR 44 HH TYR 44 1.488 -9.939 -8.038 305 H ALA 45 H ALA 45 1.164 -10.724 0.181 306 HA ALA 45 HA ALA 45 -0.423 -9.358 2.268 307 1HB ALA 45 1HB ALA 45 0.385 -12.014 1.547 308 2HB ALA 45 2HB ALA 45 -0.769 -11.528 2.790 309 3HB ALA 45 3HB ALA 45 0.941 -11.694 3.190 310 H ASN 46 H ASN 46 2.157 -8.165 1.325 311 HA ASN 46 HA ASN 46 3.701 -8.321 3.896 312 1HB ASN 46 2HB ASN 46 4.830 -9.265 1.899 313 2HB ASN 46 1HB ASN 46 4.627 -7.724 1.067 314 1HD2 ASN 46 1HD2 ASN 46 5.739 -5.797 2.103 315 2HD2 ASN 46 2HD2 ASN 46 7.160 -6.062 2.992 Start of MODEL 6 1 1H THR 1 1HT THR 1 -8.399 -3.933 2.185 2 2H THR 1 2HT THR 1 -8.673 -2.691 3.310 3 3H THR 1 3HT THR 1 -8.948 -4.310 3.744 4 HA THR 1 HA THR 1 -6.723 -3.032 4.402 5 HB THR 1 HB THR 1 -7.317 -5.896 3.638 6 HG1 THR 1 1HG THR 1 -6.829 -4.873 6.203 7 1HG2 THR 1 1HG2 THR 1 -4.781 -4.676 4.670 8 2HG2 THR 1 2HG2 THR 1 -4.998 -6.003 3.529 9 3HG2 THR 1 3HG2 THR 1 -5.259 -6.270 5.253 10 H THR 2 H THR 2 -4.593 -2.766 3.595 11 HA THR 2 HA THR 2 -4.345 -2.838 0.649 12 HB THR 2 HB THR 2 -3.781 -0.835 2.014 13 HG1 THR 2 1HG THR 2 -2.576 -1.684 0.018 14 1HG2 THR 2 1HG2 THR 2 -2.837 -1.364 4.000 15 2HG2 THR 2 2HG2 THR 2 -1.327 -1.369 3.086 16 3HG2 THR 2 3HG2 THR 2 -2.180 -2.882 3.391 17 H CYS 3 H CYS 3 -2.091 -3.558 -0.173 18 HA CYS 3 HA CYS 3 -0.898 -5.757 1.441 19 1HB CYS 3 2HB CYS 3 -1.539 -6.356 -1.418 20 2HB CYS 3 1HB CYS 3 -1.477 -7.445 -0.038 21 H CYS 4 H CYS 4 1.200 -4.924 1.454 22 HA CYS 4 HA CYS 4 2.331 -3.860 -1.090 23 1HB CYS 4 2HB CYS 4 2.733 -3.526 1.820 24 2HB CYS 4 1HB CYS 4 4.216 -3.518 0.868 25 HA PRO 5 HA PRO 5 4.543 -7.611 -1.730 26 1HB PRO 5 2HB PRO 5 6.534 -6.650 -3.346 27 2HB PRO 5 1HB PRO 5 4.865 -6.893 -3.900 28 1HG PRO 5 2HG PRO 5 6.229 -4.384 -3.054 29 2HG PRO 5 1HG PRO 5 5.086 -4.656 -4.379 30 1HD PRO 5 2HD PRO 5 4.369 -3.532 -2.011 31 2HD PRO 5 1HD PRO 5 3.254 -4.486 -3.010 32 H SER 6 H SER 6 5.727 -5.029 0.121 33 HA SER 6 HA SER 6 7.529 -6.599 1.643 34 1HB SER 6 2HB SER 6 8.487 -5.953 -0.941 35 2HB SER 6 1HB SER 6 9.382 -4.929 0.179 36 HG SER 6 HG SER 6 9.003 -7.589 0.903 37 H ILE 7 H ILE 7 9.151 -5.090 2.880 38 HA ILE 7 HA ILE 7 7.727 -2.997 4.158 39 HB ILE 7 HB ILE 7 10.706 -3.502 3.856 40 1HG1 ILE 7 2HG1 ILE 7 9.285 -5.392 4.751 41 2HG1 ILE 7 1HG1 ILE 7 10.492 -4.796 5.890 42 1HG2 ILE 7 1HG2 ILE 7 10.182 -1.231 4.708 43 2HG2 ILE 7 2HG2 ILE 7 10.919 -2.238 5.954 44 3HG2 ILE 7 3HG2 ILE 7 9.179 -1.948 5.969 45 1HD1 ILE 7 1HD1 ILE 7 7.562 -4.017 5.840 46 2HD1 ILE 7 2HD1 ILE 7 8.766 -3.369 6.954 47 3HD1 ILE 7 3HD1 ILE 7 8.331 -5.076 7.021 48 H VAL 8 H VAL 8 9.965 -2.921 1.395 49 HA VAL 8 HA VAL 8 10.425 -0.161 1.145 50 HB VAL 8 HB VAL 8 9.809 -2.177 -1.043 51 1HG1 VAL 8 1HG1 VAL 8 10.687 -0.688 -2.528 52 2HG1 VAL 8 2HG1 VAL 8 11.906 -0.123 -1.385 53 3HG1 VAL 8 3HG1 VAL 8 10.261 0.508 -1.303 54 1HG2 VAL 8 1HG2 VAL 8 12.615 -1.692 -0.438 55 2HG2 VAL 8 2HG2 VAL 8 11.747 -3.223 -0.537 56 3HG2 VAL 8 3HG2 VAL 8 11.755 -2.311 0.972 57 H ALA 9 H ALA 9 7.828 -1.945 -0.588 58 HA ALA 9 HA ALA 9 6.367 0.389 -1.364 59 1HB ALA 9 1HB ALA 9 5.694 -2.529 -0.944 60 2HB ALA 9 2HB ALA 9 5.966 -1.685 -2.469 61 3HB ALA 9 3HB ALA 9 4.497 -1.380 -1.541 62 H ARG 10 H ARG 10 5.736 -1.941 1.289 63 HA ARG 10 HA ARG 10 3.585 -0.804 2.581 64 1HB ARG 10 2HB ARG 10 5.029 -2.841 3.130 65 2HB ARG 10 1HB ARG 10 6.122 -1.733 3.955 66 1HG ARG 10 2HG ARG 10 4.614 -2.602 5.616 67 2HG ARG 10 1HG ARG 10 4.123 -0.936 5.299 68 1HD ARG 10 2HD ARG 10 2.058 -1.721 4.803 69 2HD ARG 10 1HD ARG 10 2.764 -2.522 3.389 70 HE ARG 10 HE ARG 10 3.264 -4.470 4.885 71 1HH1 ARG 10 1HH2 ARG 10 2.310 -2.410 7.177 72 2HH1 ARG 10 2HH2 ARG 10 0.921 -3.287 7.727 73 1HH2 ARG 10 1HH1 ARG 10 0.905 -5.472 5.035 74 2HH2 ARG 10 2HH1 ARG 10 0.127 -5.021 6.517 75 H SER 11 H SER 11 7.014 0.111 3.137 76 HA SER 11 HA SER 11 6.446 2.348 4.850 77 1HB SER 11 2HB SER 11 8.625 1.161 4.619 78 2HB SER 11 1HB SER 11 8.777 1.786 2.980 79 HG SER 11 HG SER 11 9.883 3.046 4.585 80 H ASN 12 H ASN 12 6.679 1.937 1.364 81 HA ASN 12 HA ASN 12 6.795 4.648 0.506 82 1HB ASN 12 2HB ASN 12 6.398 2.005 -0.502 83 2HB ASN 12 1HB ASN 12 5.153 3.035 -1.200 84 1HD2 ASN 12 1HD2 ASN 12 7.613 1.837 -2.477 85 2HD2 ASN 12 2HD2 ASN 12 8.461 3.153 -3.126 86 H PHE 13 H PHE 13 3.880 2.608 0.290 87 HA PHE 13 HA PHE 13 1.947 4.599 0.022 88 1HB PHE 13 2HB PHE 13 1.194 2.411 -0.207 89 2HB PHE 13 1HB PHE 13 2.093 1.843 1.194 90 HD1 PHE 13 1HD PHE 13 0.375 0.783 2.461 91 HD2 PHE 13 2HD PHE 13 -0.165 4.799 1.039 92 HE1 PHE 13 1HE PHE 13 -1.649 1.014 3.877 93 HE2 PHE 13 2HE PHE 13 -2.186 5.030 2.451 94 HZ PHE 13 HZ PHE 13 -2.929 3.138 3.871 95 H ASN 14 H ASN 14 3.565 3.486 2.943 96 HA ASN 14 HA ASN 14 1.877 4.900 4.833 97 1HB ASN 14 2HB ASN 14 4.186 3.173 4.783 98 2HB ASN 14 1HB ASN 14 4.517 4.546 5.840 99 1HD2 ASN 14 1HD2 ASN 14 3.295 1.476 5.953 100 2HD2 ASN 14 2HD2 ASN 14 2.216 1.641 7.254 101 H VAL 15 H VAL 15 4.592 5.728 2.836 102 HA VAL 15 HA VAL 15 5.384 8.143 4.212 103 HB VAL 15 HB VAL 15 6.096 6.489 1.979 104 1HG1 VAL 15 1HG1 VAL 15 6.742 8.124 0.310 105 2HG1 VAL 15 2HG1 VAL 15 6.121 9.441 1.305 106 3HG1 VAL 15 3HG1 VAL 15 5.009 8.269 0.598 107 1HG2 VAL 15 1HG2 VAL 15 7.389 8.742 3.500 108 2HG2 VAL 15 2HG2 VAL 15 8.231 7.877 2.213 109 3HG2 VAL 15 3HG2 VAL 15 7.682 7.008 3.646 110 H CYS 16 H CYS 16 2.885 7.301 1.923 111 HA CYS 16 HA CYS 16 2.304 10.077 1.146 112 1HB CYS 16 2HB CYS 16 1.834 7.402 0.268 113 2HB CYS 16 1HB CYS 16 0.269 8.174 0.498 114 H ARG 17 H ARG 17 1.268 7.769 3.553 115 HA ARG 17 HA ARG 17 -1.322 8.964 4.112 116 1HB ARG 17 2HB ARG 17 -0.300 6.598 4.602 117 2HB ARG 17 1HB ARG 17 0.352 7.371 6.047 118 1HG ARG 17 2HG ARG 17 -1.669 6.724 6.918 119 2HG ARG 17 1HG ARG 17 -2.188 8.252 6.205 120 1HD ARG 17 2HD ARG 17 -2.836 7.020 4.123 121 2HD ARG 17 1HD ARG 17 -2.426 5.498 4.940 122 HE ARG 17 HE ARG 17 -4.378 5.739 6.258 123 1HH1 ARG 17 1HH1 ARG 17 -5.106 7.599 3.818 124 2HH1 ARG 17 2HH1 ARG 17 -5.832 8.916 4.677 125 1HH2 ARG 17 1HH2 ARG 17 -4.623 7.907 7.768 126 2HH2 ARG 17 2HH2 ARG 17 -5.559 9.090 6.917 127 H LEU 18 H LEU 18 1.878 9.922 4.720 128 HA LEU 18 HA LEU 18 1.575 11.165 7.300 129 1HB LEU 18 2HB LEU 18 3.490 10.766 5.153 130 2HB LEU 18 1HB LEU 18 3.599 12.393 5.806 131 HG LEU 18 HG LEU 18 3.576 9.889 7.503 132 1HD1 LEU 18 1HD1 LEU 18 6.047 10.592 7.828 133 2HD1 LEU 18 2HD1 LEU 18 5.835 11.521 6.345 134 3HD1 LEU 18 3HD1 LEU 18 5.622 9.770 6.326 135 1HD2 LEU 18 1HD2 LEU 18 4.797 12.284 8.614 136 2HD2 LEU 18 2HD2 LEU 18 3.496 11.293 9.272 137 3HD2 LEU 18 3HD2 LEU 18 3.128 12.590 8.134 138 HA PRO 19 HA PRO 19 1.061 15.192 4.735 139 1HB PRO 19 2HB PRO 19 0.642 14.940 2.040 140 2HB PRO 19 1HB PRO 19 2.257 15.096 2.761 141 1HG PRO 19 2HG PRO 19 0.832 12.653 1.825 142 2HG PRO 19 1HG PRO 19 2.536 13.101 1.650 143 1HD PRO 19 2HD PRO 19 1.662 11.333 3.509 144 2HD PRO 19 1HD PRO 19 3.082 12.370 3.759 145 H GLY 20 H GLY 20 -0.762 12.371 3.568 146 1HA GLY 20 2HA GLY 20 -3.174 12.527 4.549 147 2HA GLY 20 1HA GLY 20 -3.246 14.026 3.624 148 H THR 21 H THR 21 -1.362 11.755 1.978 149 HA THR 21 HA THR 21 -3.151 11.531 -0.201 150 HB THR 21 HB THR 21 -0.863 9.718 0.591 151 HG1 THR 21 1HG THR 21 -0.707 12.004 -1.061 152 1HG2 THR 21 1HG2 THR 21 -2.437 10.217 -1.892 153 2HG2 THR 21 2HG2 THR 21 -1.780 8.709 -1.261 154 3HG2 THR 21 3HG2 THR 21 -0.721 9.867 -2.063 155 HA PRO 22 HA PRO 22 -5.622 8.244 1.424 156 1HB PRO 22 2HB PRO 22 -7.028 7.797 -0.883 157 2HB PRO 22 1HB PRO 22 -7.370 9.137 0.224 158 1HG PRO 22 2HG PRO 22 -5.896 9.147 -2.354 159 2HG PRO 22 1HG PRO 22 -6.978 10.370 -1.673 160 1HD PRO 22 2HD PRO 22 -4.232 10.565 -1.617 161 2HD PRO 22 1HD PRO 22 -5.306 11.343 -0.450 162 H GLU 23 H GLU 23 -4.630 6.355 1.647 163 HA GLU 23 HA GLU 23 -2.623 5.071 0.381 164 1HB GLU 23 2HB GLU 23 -3.650 2.973 1.143 165 2HB GLU 23 1HB GLU 23 -3.964 4.251 2.319 166 1HG GLU 23 2HG GLU 23 -6.193 4.618 1.346 167 2HG GLU 23 1HG GLU 23 -5.883 3.364 0.145 168 H ALA 24 H ALA 24 -5.910 5.293 -0.893 169 HA ALA 24 HA ALA 24 -5.702 3.366 -2.987 170 1HB ALA 24 1HB ALA 24 -7.247 5.964 -3.079 171 2HB ALA 24 2HB ALA 24 -7.723 4.632 -2.025 172 3HB ALA 24 3HB ALA 24 -7.698 4.408 -3.774 173 H LEU 25 H LEU 25 -4.963 6.884 -2.960 174 HA LEU 25 HA LEU 25 -4.258 6.975 -5.767 175 1HB LEU 25 2HB LEU 25 -4.740 8.730 -3.687 176 2HB LEU 25 1HB LEU 25 -3.018 8.944 -3.990 177 HG LEU 25 HG LEU 25 -4.638 8.777 -6.437 178 1HD1 LEU 25 1HD1 LEU 25 -6.022 10.056 -4.585 179 2HD1 LEU 25 2HD1 LEU 25 -5.893 10.725 -6.211 180 3HD1 LEU 25 3HD1 LEU 25 -4.873 11.352 -4.916 181 1HD2 LEU 25 1HD2 LEU 25 -2.277 10.157 -5.341 182 2HD2 LEU 25 2HD2 LEU 25 -3.249 11.160 -6.418 183 3HD2 LEU 25 3HD2 LEU 25 -2.599 9.623 -6.990 184 H CYS 26 H CYS 26 -2.267 6.799 -2.777 185 HA CYS 26 HA CYS 26 0.189 6.656 -4.384 186 1HB CYS 26 2HB CYS 26 -0.560 7.353 -1.757 187 2HB CYS 26 1HB CYS 26 0.505 5.956 -1.603 188 H ALA 27 H ALA 27 -2.071 4.317 -3.174 189 HA ALA 27 HA ALA 27 -0.139 2.154 -2.927 190 1HB ALA 27 1HB ALA 27 -2.287 0.782 -2.934 191 2HB ALA 27 2HB ALA 27 -3.146 2.306 -3.150 192 3HB ALA 27 3HB ALA 27 -2.200 2.026 -1.688 193 H THR 28 H THR 28 -2.331 3.335 -5.282 194 HA THR 28 HA THR 28 -1.842 1.306 -7.302 195 HB THR 28 HB THR 28 -3.390 3.763 -6.852 196 HG1 THR 28 1HG THR 28 -4.708 2.456 -8.441 197 1HG2 THR 28 1HG2 THR 28 -2.360 3.160 -9.633 198 2HG2 THR 28 2HG2 THR 28 -2.139 4.653 -8.720 199 3HG2 THR 28 3HG2 THR 28 -3.743 4.201 -9.297 200 H TYR 29 H TYR 29 -0.439 4.417 -6.429 201 HA TYR 29 HA TYR 29 1.216 4.520 -8.883 202 1HB TYR 29 2HB TYR 29 0.368 6.609 -8.180 203 2HB TYR 29 1HB TYR 29 0.688 6.265 -6.480 204 HD1 TYR 29 1HD TYR 29 3.002 5.719 -9.348 205 HD2 TYR 29 2HD TYR 29 2.097 8.088 -5.881 206 HE1 TYR 29 1HE TYR 29 5.212 6.830 -9.531 207 HE2 TYR 29 2HE TYR 29 4.306 9.200 -6.064 208 HH TYR 29 HH TYR 29 5.981 9.640 -8.070 209 H THR 30 H THR 30 1.743 4.318 -5.339 210 HA THR 30 HA THR 30 4.587 4.003 -5.531 211 HB THR 30 HB THR 30 2.944 4.630 -3.577 212 HG1 THR 30 1HG THR 30 5.146 4.674 -3.327 213 1HG2 THR 30 1HG2 THR 30 3.410 1.835 -2.683 214 2HG2 THR 30 2HG2 THR 30 2.102 2.094 -3.838 215 3HG2 THR 30 3HG2 THR 30 2.091 2.941 -2.290 216 H GLY 31 H GLY 31 2.042 1.829 -6.267 217 1HA GLY 31 2HA GLY 31 2.722 -0.246 -7.449 218 2HA GLY 31 1HA GLY 31 4.024 -0.412 -6.274 219 H CYS 32 H CYS 32 2.614 0.061 -3.892 220 HA CYS 32 HA CYS 32 1.649 -2.433 -3.138 221 1HB CYS 32 2HB CYS 32 2.056 -0.081 -1.930 222 2HB CYS 32 1HB CYS 32 0.299 0.003 -2.051 223 H ILE 33 H ILE 33 -0.771 -2.818 -2.424 224 HA ILE 33 HA ILE 33 -2.680 -1.829 -4.503 225 HB ILE 33 HB ILE 33 -3.320 -4.102 -5.022 226 1HG1 ILE 33 2HG1 ILE 33 -1.417 -5.641 -3.548 227 2HG1 ILE 33 1HG1 ILE 33 -2.265 -4.597 -2.405 228 1HG2 ILE 33 1HG2 ILE 33 -0.304 -3.835 -4.840 229 2HG2 ILE 33 2HG2 ILE 33 -1.321 -3.361 -6.201 230 3HG2 ILE 33 3HG2 ILE 33 -1.139 -5.065 -5.787 231 1HD1 ILE 33 1HD1 ILE 33 -3.805 -6.123 -4.494 232 2HD1 ILE 33 2HD1 ILE 33 -4.365 -5.496 -2.943 233 3HD1 ILE 33 3HD1 ILE 33 -3.315 -6.911 -2.995 234 H ILE 34 H ILE 34 -4.943 -2.071 -3.807 235 HA ILE 34 HA ILE 34 -5.285 -2.750 -0.915 236 HB ILE 34 HB ILE 34 -6.326 -0.288 -2.350 237 1HG1 ILE 34 2HG1 ILE 34 -4.204 -0.521 -0.195 238 2HG1 ILE 34 1HG1 ILE 34 -3.849 -0.326 -1.910 239 1HG2 ILE 34 1HG2 ILE 34 -7.833 -0.318 -0.657 240 2HG2 ILE 34 2HG2 ILE 34 -6.481 0.099 0.394 241 3HG2 ILE 34 3HG2 ILE 34 -6.961 -1.587 0.201 242 1HD1 ILE 34 1HD1 ILE 34 -4.891 1.824 -1.980 243 2HD1 ILE 34 2HD1 ILE 34 -3.875 1.824 -0.538 244 3HD1 ILE 34 3HD1 ILE 34 -5.618 1.595 -0.390 245 H ILE 35 H ILE 35 -7.228 -3.755 -0.447 246 HA ILE 35 HA ILE 35 -9.387 -3.779 -2.488 247 HB ILE 35 HB ILE 35 -9.326 -6.148 -2.737 248 1HG1 ILE 35 2HG1 ILE 35 -8.923 -6.534 -0.241 249 2HG1 ILE 35 1HG1 ILE 35 -8.105 -7.650 -1.329 250 1HG2 ILE 35 1HG2 ILE 35 -7.007 -6.609 -3.454 251 2HG2 ILE 35 2HG2 ILE 35 -6.456 -5.180 -2.578 252 3HG2 ILE 35 3HG2 ILE 35 -7.529 -5.003 -3.966 253 1HD1 ILE 35 1HD1 ILE 35 -6.945 -5.894 0.621 254 2HD1 ILE 35 2HD1 ILE 35 -6.375 -5.419 -0.979 255 3HD1 ILE 35 3HD1 ILE 35 -6.137 -7.071 -0.413 256 HA PRO 36 HA PRO 36 -11.891 -3.800 1.120 257 1HB PRO 36 2HB PRO 36 -14.125 -5.096 0.202 258 2HB PRO 36 1HB PRO 36 -13.716 -3.430 -0.259 259 1HG PRO 36 2HG PRO 36 -13.304 -5.968 -1.765 260 2HG PRO 36 1HG PRO 36 -13.817 -4.378 -2.353 261 1HD PRO 36 2HD PRO 36 -11.282 -5.315 -2.638 262 2HD PRO 36 1HD PRO 36 -11.667 -3.585 -2.488 263 H GLY 37 H GLY 37 -10.122 -5.518 1.845 264 1HA GLY 37 2HA GLY 37 -11.059 -7.446 3.467 265 2HA GLY 37 1HA GLY 37 -11.140 -8.275 1.913 266 H ALA 38 H ALA 38 -9.410 -8.804 4.251 267 HA ALA 38 HA ALA 38 -6.676 -8.075 3.432 268 1HB ALA 38 1HB ALA 38 -6.835 -8.207 5.718 269 2HB ALA 38 2HB ALA 38 -6.407 -9.889 5.400 270 3HB ALA 38 3HB ALA 38 -8.093 -9.442 5.658 271 H THR 39 H THR 39 -8.318 -9.715 1.597 272 HA THR 39 HA THR 39 -7.256 -12.436 1.700 273 HB THR 39 HB THR 39 -9.530 -11.460 0.901 274 HG1 THR 39 1HG THR 39 -8.373 -13.286 -0.887 275 1HG2 THR 39 1HG2 THR 39 -8.091 -11.390 -1.735 276 2HG2 THR 39 2HG2 THR 39 -8.252 -9.943 -0.741 277 3HG2 THR 39 3HG2 THR 39 -9.692 -10.766 -1.338 278 H CYS 40 H CYS 40 -5.669 -9.804 1.137 279 HA CYS 40 HA CYS 40 -4.527 -9.500 -1.319 280 1HB CYS 40 2HB CYS 40 -2.995 -9.948 1.265 281 2HB CYS 40 1HB CYS 40 -2.422 -9.035 -0.129 282 HA PRO 41 HA PRO 41 -2.882 -13.371 -2.610 283 1HB PRO 41 2HB PRO 41 -0.865 -12.520 -4.246 284 2HB PRO 41 1HB PRO 41 -2.580 -12.397 -4.687 285 1HG PRO 41 2HG PRO 41 -0.734 -10.302 -3.666 286 2HG PRO 41 1HG PRO 41 -2.024 -10.181 -4.872 287 1HD PRO 41 2HD PRO 41 -2.268 -9.341 -2.276 288 2HD PRO 41 1HD PRO 41 -3.638 -9.836 -3.295 289 H GLY 42 H GLY 42 -0.460 -14.344 -2.939 290 1HA GLY 42 2HA GLY 42 0.854 -13.961 -0.320 291 2HA GLY 42 1HA GLY 42 1.192 -15.261 -1.465 292 H ASP 43 H ASP 43 1.057 -12.381 -3.155 293 HA ASP 43 HA ASP 43 4.044 -12.173 -3.124 294 1HB ASP 43 2HB ASP 43 1.979 -12.303 -5.133 295 2HB ASP 43 1HB ASP 43 2.857 -10.783 -5.304 296 H TYR 44 H TYR 44 1.076 -10.464 -2.521 297 HA TYR 44 HA TYR 44 2.613 -7.921 -2.101 298 1HB TYR 44 2HB TYR 44 -0.333 -8.359 -2.687 299 2HB TYR 44 1HB TYR 44 0.509 -6.809 -2.651 300 HD1 TYR 44 1HD TYR 44 3.105 -7.883 -3.945 301 HD2 TYR 44 2HD TYR 44 -1.043 -8.219 -5.009 302 HE1 TYR 44 1HE TYR 44 3.738 -8.163 -6.325 303 HE2 TYR 44 2HE TYR 44 -0.410 -8.497 -7.391 304 HH TYR 44 HH TYR 44 1.794 -7.709 -8.809 305 H ALA 45 H ALA 45 1.729 -10.410 -0.339 306 HA ALA 45 HA ALA 45 0.080 -9.089 1.718 307 1HB ALA 45 1HB ALA 45 -0.472 -11.321 1.578 308 2HB ALA 45 2HB ALA 45 0.818 -11.463 2.773 309 3HB ALA 45 3HB ALA 45 1.152 -11.791 1.073 310 H ASN 46 H ASN 46 2.859 -8.072 1.105 311 HA ASN 46 HA ASN 46 4.297 -8.716 3.637 312 1HB ASN 46 2HB ASN 46 4.999 -8.237 0.938 313 2HB ASN 46 1HB ASN 46 5.613 -6.859 1.853 314 1HD2 ASN 46 1HD2 ASN 46 6.024 -8.387 4.355 315 2HD2 ASN 46 2HD2 ASN 46 7.356 -9.404 4.082 Start of MODEL 7 1 1H THR 1 1HT THR 1 -8.408 -1.148 3.085 2 2H THR 1 2HT THR 1 -9.181 -2.355 3.996 3 3H THR 1 3HT THR 1 -8.783 -2.641 2.370 4 HA THR 1 HA THR 1 -6.826 -2.235 4.580 5 HB THR 1 HB THR 1 -7.950 -4.616 3.086 6 HG1 THR 1 1HG THR 1 -7.489 -4.387 5.841 7 1HG2 THR 1 1HG2 THR 1 -6.178 -5.863 4.522 8 2HG2 THR 1 2HG2 THR 1 -5.350 -4.306 4.571 9 3HG2 THR 1 3HG2 THR 1 -5.651 -5.095 3.023 10 H THR 2 H THR 2 -4.609 -2.581 3.841 11 HA THR 2 HA THR 2 -4.254 -2.217 0.883 12 HB THR 2 HB THR 2 -2.359 -1.117 2.940 13 HG1 THR 2 1HG THR 2 -4.614 0.315 2.050 14 1HG2 THR 2 1HG2 THR 2 -2.831 -0.907 0.098 15 2HG2 THR 2 2HG2 THR 2 -1.471 -0.301 1.044 16 3HG2 THR 2 3HG2 THR 2 -2.920 0.686 0.850 17 H CYS 3 H CYS 3 -2.137 -3.036 0.086 18 HA CYS 3 HA CYS 3 -0.663 -4.894 1.866 19 1HB CYS 3 2HB CYS 3 -2.794 -5.672 0.113 20 2HB CYS 3 1HB CYS 3 -1.286 -6.317 -0.536 21 H CYS 4 H CYS 4 1.455 -5.260 1.104 22 HA CYS 4 HA CYS 4 2.165 -4.071 -1.555 23 1HB CYS 4 2HB CYS 4 2.857 -3.243 1.134 24 2HB CYS 4 1HB CYS 4 4.307 -3.646 0.220 25 HA PRO 5 HA PRO 5 4.535 -7.714 -2.121 26 1HB PRO 5 2HB PRO 5 6.621 -6.772 -3.617 27 2HB PRO 5 1HB PRO 5 4.976 -6.958 -4.256 28 1HG PRO 5 2HG PRO 5 6.378 -4.508 -3.328 29 2HG PRO 5 1HG PRO 5 5.248 -4.722 -4.673 30 1HD PRO 5 2HD PRO 5 4.560 -3.630 -2.259 31 2HD PRO 5 1HD PRO 5 3.414 -4.448 -3.342 32 H SER 6 H SER 6 5.664 -5.246 -0.104 33 HA SER 6 HA SER 6 7.484 -6.973 1.295 34 1HB SER 6 2HB SER 6 8.456 -5.861 -1.109 35 2HB SER 6 1HB SER 6 9.227 -4.945 0.183 36 HG SER 6 HG SER 6 9.495 -7.231 1.096 37 H ILE 7 H ILE 7 9.105 -5.399 2.645 38 HA ILE 7 HA ILE 7 7.367 -3.626 4.161 39 HB ILE 7 HB ILE 7 10.347 -4.207 4.206 40 1HG1 ILE 7 2HG1 ILE 7 8.678 -6.090 4.655 41 2HG1 ILE 7 1HG1 ILE 7 9.835 -5.769 5.948 42 1HG2 ILE 7 1HG2 ILE 7 8.628 -2.377 5.781 43 2HG2 ILE 7 2HG2 ILE 7 10.366 -2.316 5.488 44 3HG2 ILE 7 3HG2 ILE 7 9.717 -3.395 6.723 45 1HD1 ILE 7 1HD1 ILE 7 6.978 -4.758 5.815 46 2HD1 ILE 7 2HD1 ILE 7 8.136 -4.346 7.080 47 3HD1 ILE 7 3HD1 ILE 7 7.591 -6.013 6.893 48 H VAL 8 H VAL 8 9.885 -3.219 1.712 49 HA VAL 8 HA VAL 8 10.290 -0.394 2.055 50 HB VAL 8 HB VAL 8 10.605 -2.337 -0.246 51 1HG1 VAL 8 1HG1 VAL 8 11.515 0.552 -0.082 52 2HG1 VAL 8 2HG1 VAL 8 10.238 -0.057 -1.136 53 3HG1 VAL 8 3HG1 VAL 8 11.906 -0.577 -1.380 54 1HG2 VAL 8 1HG2 VAL 8 12.033 -2.270 1.983 55 2HG2 VAL 8 2HG2 VAL 8 12.812 -0.899 1.192 56 3HG2 VAL 8 3HG2 VAL 8 12.831 -2.487 0.426 57 H ALA 9 H ALA 9 8.121 -2.283 -0.068 58 HA ALA 9 HA ALA 9 6.906 -0.057 -1.393 59 1HB ALA 9 1HB ALA 9 5.663 -2.728 -0.670 60 2HB ALA 9 2HB ALA 9 6.839 -2.533 -1.970 61 3HB ALA 9 3HB ALA 9 5.279 -1.717 -2.063 62 H ARG 10 H ARG 10 5.304 -2.115 1.064 63 HA ARG 10 HA ARG 10 3.214 -0.497 1.822 64 1HB ARG 10 2HB ARG 10 3.958 -2.806 2.606 65 2HB ARG 10 1HB ARG 10 5.037 -1.985 3.731 66 1HG ARG 10 2HG ARG 10 3.178 -2.208 5.084 67 2HG ARG 10 1HG ARG 10 2.792 -0.661 4.325 68 1HD ARG 10 2HD ARG 10 0.869 -1.642 3.631 69 2HD ARG 10 1HD ARG 10 1.864 -2.565 2.500 70 HE ARG 10 HE ARG 10 2.138 -4.267 4.340 71 1HH1 ARG 10 1HH2 ARG 10 -0.817 -3.187 3.417 72 2HH1 ARG 10 2HH2 ARG 10 -1.664 -3.604 4.869 73 1HH2 ARG 10 1HH1 ARG 10 1.220 -4.294 6.666 74 2HH2 ARG 10 2HH1 ARG 10 -0.510 -4.236 6.707 75 H SER 11 H SER 11 6.625 -0.008 2.514 76 HA SER 11 HA SER 11 6.280 1.945 4.628 77 1HB SER 11 2HB SER 11 8.443 0.902 2.852 78 2HB SER 11 1HB SER 11 8.735 2.433 3.674 79 HG SER 11 HG SER 11 9.290 0.363 4.794 80 H ASN 12 H ASN 12 7.440 2.407 1.248 81 HA ASN 12 HA ASN 12 7.193 5.238 1.243 82 1HB ASN 12 2HB ASN 12 7.285 4.965 -1.207 83 2HB ASN 12 1HB ASN 12 8.421 3.881 -0.416 84 1HD2 ASN 12 1HD2 ASN 12 8.362 2.380 -2.234 85 2HD2 ASN 12 2HD2 ASN 12 7.010 1.394 -2.514 86 H PHE 13 H PHE 13 4.795 2.761 1.031 87 HA PHE 13 HA PHE 13 2.705 4.317 -0.248 88 1HB PHE 13 2HB PHE 13 2.344 2.026 -0.366 89 2HB PHE 13 1HB PHE 13 3.053 1.733 1.220 90 HD1 PHE 13 1HD PHE 13 1.648 1.264 3.019 91 HD2 PHE 13 2HD PHE 13 0.090 3.408 -0.359 92 HE1 PHE 13 1HE PHE 13 -0.615 1.212 4.030 93 HE2 PHE 13 2HE PHE 13 -2.174 3.356 0.650 94 HZ PHE 13 HZ PHE 13 -2.527 2.258 2.846 95 H ASN 14 H ASN 14 3.516 3.505 3.127 96 HA ASN 14 HA ASN 14 1.361 5.082 4.282 97 1HB ASN 14 2HB ASN 14 3.589 3.360 5.094 98 2HB ASN 14 1HB ASN 14 3.367 4.725 6.191 99 1HD2 ASN 14 1HD2 ASN 14 2.217 1.603 5.443 100 2HD2 ASN 14 2HD2 ASN 14 0.774 1.660 6.335 101 H VAL 15 H VAL 15 4.525 5.714 3.072 102 HA VAL 15 HA VAL 15 5.036 8.159 4.565 103 HB VAL 15 HB VAL 15 6.324 6.336 2.772 104 1HG1 VAL 15 1HG1 VAL 15 7.619 7.949 1.385 105 2HG1 VAL 15 2HG1 VAL 15 6.534 9.235 1.913 106 3HG1 VAL 15 3HG1 VAL 15 5.911 7.900 0.945 107 1HG2 VAL 15 1HG2 VAL 15 8.052 8.446 3.658 108 2HG2 VAL 15 2HG2 VAL 15 7.922 6.796 4.271 109 3HG2 VAL 15 3HG2 VAL 15 6.899 8.068 4.939 110 H CYS 16 H CYS 16 3.344 7.298 1.628 111 HA CYS 16 HA CYS 16 3.231 10.056 0.607 112 1HB CYS 16 2HB CYS 16 3.295 8.409 -1.060 113 2HB CYS 16 1HB CYS 16 2.239 7.323 -0.162 114 H ARG 17 H ARG 17 1.288 7.917 2.595 115 HA ARG 17 HA ARG 17 -1.118 9.617 2.415 116 1HB ARG 17 2HB ARG 17 -1.549 7.304 2.562 117 2HB ARG 17 1HB ARG 17 -0.280 7.055 3.760 118 1HG ARG 17 2HG ARG 17 -1.572 8.048 5.492 119 2HG ARG 17 1HG ARG 17 -2.719 8.739 4.343 120 1HD ARG 17 2HD ARG 17 -3.374 6.394 3.687 121 2HD ARG 17 1HD ARG 17 -2.359 5.799 5.015 122 HE ARG 17 HE ARG 17 -4.463 7.836 5.591 123 1HH1 ARG 17 1HH1 ARG 17 -4.105 4.512 5.355 124 2HH1 ARG 17 2HH1 ARG 17 -4.620 4.162 6.971 125 1HH2 ARG 17 1HH2 ARG 17 -4.697 7.490 7.950 126 2HH2 ARG 17 2HH2 ARG 17 -4.957 5.850 8.443 127 H LEU 18 H LEU 18 1.754 10.069 3.872 128 HA LEU 18 HA LEU 18 1.241 10.538 6.620 129 1HB LEU 18 2HB LEU 18 3.253 10.903 4.620 130 2HB LEU 18 1HB LEU 18 3.116 12.393 5.539 131 HG LEU 18 HG LEU 18 3.351 9.666 6.823 132 1HD1 LEU 18 1HD1 LEU 18 5.730 10.618 7.346 133 2HD1 LEU 18 2HD1 LEU 18 5.442 11.641 5.939 134 3HD1 LEU 18 3HD1 LEU 18 5.435 9.887 5.769 135 1HD2 LEU 18 1HD2 LEU 18 3.008 10.785 8.749 136 2HD2 LEU 18 2HD2 LEU 18 2.673 12.237 7.806 137 3HD2 LEU 18 3HD2 LEU 18 4.313 11.907 8.362 138 HA PRO 19 HA PRO 19 0.144 15.005 5.326 139 1HB PRO 19 2HB PRO 19 -0.444 15.487 2.699 140 2HB PRO 19 1HB PRO 19 1.196 15.610 3.366 141 1HG PRO 19 2HG PRO 19 -0.018 13.475 1.718 142 2HG PRO 19 1HG PRO 19 1.654 14.049 1.779 143 1HD PRO 19 2HD PRO 19 0.699 11.739 2.973 144 2HD PRO 19 1HD PRO 19 2.219 12.557 3.390 145 H GLY 20 H GLY 20 -1.466 12.266 3.878 146 1HA GLY 20 2HA GLY 20 -3.823 12.054 4.917 147 2HA GLY 20 1HA GLY 20 -4.095 13.649 4.219 148 H THR 21 H THR 21 -2.096 11.679 2.271 149 HA THR 21 HA THR 21 -3.889 11.653 0.088 150 HB THR 21 HB THR 21 -1.578 9.793 0.626 151 HG1 THR 21 1HG THR 21 -0.260 11.465 -0.108 152 1HG2 THR 21 1HG2 THR 21 -1.261 10.009 -1.821 153 2HG2 THR 21 2HG2 THR 21 -2.683 11.050 -1.898 154 3HG2 THR 21 3HG2 THR 21 -2.851 9.361 -1.415 155 HA PRO 22 HA PRO 22 -6.228 8.068 1.081 156 1HB PRO 22 2HB PRO 22 -7.181 7.581 -1.438 157 2HB PRO 22 1HB PRO 22 -7.798 8.879 -0.400 158 1HG PRO 22 2HG PRO 22 -5.903 9.022 -2.686 159 2HG PRO 22 1HG PRO 22 -7.159 10.168 -2.189 160 1HD PRO 22 2HD PRO 22 -4.475 10.503 -1.666 161 2HD PRO 22 1HD PRO 22 -5.767 11.228 -0.707 162 H GLU 23 H GLU 23 -5.201 6.198 1.418 163 HA GLU 23 HA GLU 23 -2.906 5.113 0.437 164 1HB GLU 23 2HB GLU 23 -5.528 3.692 0.998 165 2HB GLU 23 1HB GLU 23 -3.962 2.884 0.919 166 1HG GLU 23 2HG GLU 23 -3.136 4.378 2.732 167 2HG GLU 23 1HG GLU 23 -4.750 5.082 2.852 168 H ALA 24 H ALA 24 -5.954 5.268 -1.318 169 HA ALA 24 HA ALA 24 -5.416 3.369 -3.377 170 1HB ALA 24 1HB ALA 24 -6.872 5.601 -4.391 171 2HB ALA 24 2HB ALA 24 -7.307 5.420 -2.691 172 3HB ALA 24 3HB ALA 24 -7.520 4.069 -3.804 173 H LEU 25 H LEU 25 -4.560 6.834 -3.055 174 HA LEU 25 HA LEU 25 -3.324 6.908 -5.711 175 1HB LEU 25 2HB LEU 25 -4.312 8.684 -3.752 176 2HB LEU 25 1HB LEU 25 -2.591 9.034 -3.891 177 HG LEU 25 HG LEU 25 -3.613 8.623 -6.524 178 1HD1 LEU 25 1HD1 LEU 25 -5.648 9.554 -4.846 179 2HD1 LEU 25 2HD1 LEU 25 -5.615 9.660 -6.606 180 3HD1 LEU 25 3HD1 LEU 25 -5.028 11.007 -5.631 181 1HD2 LEU 25 1HD2 LEU 25 -3.082 11.237 -6.469 182 2HD2 LEU 25 2HD2 LEU 25 -1.786 10.044 -6.380 183 3HD2 LEU 25 3HD2 LEU 25 -2.375 10.818 -4.909 184 H CYS 26 H CYS 26 -2.255 6.429 -2.364 185 HA CYS 26 HA CYS 26 0.591 6.698 -3.009 186 1HB CYS 26 2HB CYS 26 -0.854 5.535 -0.604 187 2HB CYS 26 1HB CYS 26 0.850 5.973 -0.664 188 H ALA 27 H ALA 27 -1.757 4.201 -3.307 189 HA ALA 27 HA ALA 27 0.308 2.075 -3.246 190 1HB ALA 27 1HB ALA 27 -1.970 0.750 -3.642 191 2HB ALA 27 2HB ALA 27 -2.666 2.261 -3.057 192 3HB ALA 27 3HB ALA 27 -1.548 1.355 -2.040 193 H THR 28 H THR 28 -1.755 3.826 -5.301 194 HA THR 28 HA THR 28 -1.455 2.118 -7.650 195 HB THR 28 HB THR 28 -2.691 4.732 -6.888 196 HG1 THR 28 1HG THR 28 -4.143 3.187 -6.834 197 1HG2 THR 28 1HG2 THR 28 -1.665 4.053 -9.588 198 2HG2 THR 28 2HG2 THR 28 -1.956 5.631 -8.854 199 3HG2 THR 28 3HG2 THR 28 -3.303 4.700 -9.512 200 H TYR 29 H TYR 29 0.280 4.780 -6.197 201 HA TYR 29 HA TYR 29 1.884 5.165 -8.687 202 1HB TYR 29 2HB TYR 29 1.018 7.184 -7.699 203 2HB TYR 29 1HB TYR 29 1.559 6.698 -6.093 204 HD1 TYR 29 1HD TYR 29 3.590 6.090 -9.098 205 HD2 TYR 29 2HD TYR 29 2.941 8.694 -5.745 206 HE1 TYR 29 1HE TYR 29 5.788 7.161 -9.507 207 HE2 TYR 29 2HE TYR 29 5.140 9.769 -6.154 208 HH TYR 29 HH TYR 29 6.770 10.046 -7.813 209 H THR 30 H THR 30 2.094 4.126 -5.320 210 HA THR 30 HA THR 30 5.016 3.751 -5.538 211 HB THR 30 HB THR 30 3.377 4.558 -3.549 212 HG1 THR 30 1HG THR 30 5.861 3.292 -3.601 213 1HG2 THR 30 1HG2 THR 30 2.359 2.237 -3.486 214 2HG2 THR 30 2HG2 THR 30 2.985 2.832 -1.948 215 3HG2 THR 30 3HG2 THR 30 3.914 1.662 -2.886 216 H GLY 31 H GLY 31 2.264 1.999 -6.387 217 1HA GLY 31 2HA GLY 31 2.574 -0.178 -7.477 218 2HA GLY 31 1HA GLY 31 3.857 -0.530 -6.323 219 H CYS 32 H CYS 32 2.437 0.275 -3.943 220 HA CYS 32 HA CYS 32 1.180 -2.094 -3.140 221 1HB CYS 32 2HB CYS 32 1.693 0.480 -2.138 222 2HB CYS 32 1HB CYS 32 -0.047 0.266 -1.959 223 H ILE 33 H ILE 33 -1.336 -1.949 -2.365 224 HA ILE 33 HA ILE 33 -3.067 -0.716 -4.418 225 HB ILE 33 HB ILE 33 -3.982 -2.969 -5.051 226 1HG1 ILE 33 2HG1 ILE 33 -1.771 -4.594 -4.360 227 2HG1 ILE 33 1HG1 ILE 33 -2.243 -3.750 -2.884 228 1HG2 ILE 33 1HG2 ILE 33 -1.007 -2.880 -5.547 229 2HG2 ILE 33 2HG2 ILE 33 -2.098 -1.702 -6.278 230 3HG2 ILE 33 3HG2 ILE 33 -2.286 -3.417 -6.637 231 1HD1 ILE 33 1HD1 ILE 33 -3.638 -5.870 -4.332 232 2HD1 ILE 33 2HD1 ILE 33 -4.673 -4.475 -4.025 233 3HD1 ILE 33 3HD1 ILE 33 -3.878 -5.297 -2.681 234 H ILE 34 H ILE 34 -5.397 -1.078 -3.888 235 HA ILE 34 HA ILE 34 -5.764 -1.358 -0.942 236 HB ILE 34 HB ILE 34 -7.798 -0.387 -2.951 237 1HG1 ILE 34 2HG1 ILE 34 -5.783 0.848 -3.495 238 2HG1 ILE 34 1HG1 ILE 34 -6.838 1.909 -2.561 239 1HG2 ILE 34 1HG2 ILE 34 -8.246 1.148 -0.919 240 2HG2 ILE 34 2HG2 ILE 34 -7.214 0.036 -0.021 241 3HG2 ILE 34 3HG2 ILE 34 -8.699 -0.551 -0.770 242 1HD1 ILE 34 1HD1 ILE 34 -5.050 2.239 -1.212 243 2HD1 ILE 34 2HD1 ILE 34 -4.187 0.857 -1.886 244 3HD1 ILE 34 3HD1 ILE 34 -5.371 0.616 -0.601 245 H ILE 35 H ILE 35 -7.819 -2.450 -0.267 246 HA ILE 35 HA ILE 35 -9.192 -4.289 -2.038 247 HB ILE 35 HB ILE 35 -8.123 -6.281 -0.586 248 1HG1 ILE 35 2HG1 ILE 35 -5.774 -4.394 -0.879 249 2HG1 ILE 35 1HG1 ILE 35 -6.665 -4.562 0.633 250 1HG2 ILE 35 1HG2 ILE 35 -6.299 -5.395 -2.743 251 2HG2 ILE 35 2HG2 ILE 35 -8.004 -5.493 -3.185 252 3HG2 ILE 35 3HG2 ILE 35 -7.172 -6.916 -2.558 253 1HD1 ILE 35 1HD1 ILE 35 -6.082 -7.182 -0.362 254 2HD1 ILE 35 2HD1 ILE 35 -5.509 -6.424 1.124 255 3HD1 ILE 35 3HD1 ILE 35 -4.592 -6.238 -0.371 256 HA PRO 36 HA PRO 36 -11.958 -4.430 1.357 257 1HB PRO 36 2HB PRO 36 -12.805 -7.039 1.410 258 2HB PRO 36 1HB PRO 36 -13.309 -5.882 0.161 259 1HG PRO 36 2HG PRO 36 -11.211 -7.997 0.045 260 2HG PRO 36 1HG PRO 36 -12.386 -7.505 -1.185 261 1HD PRO 36 2HD PRO 36 -9.789 -6.731 -1.244 262 2HD PRO 36 1HD PRO 36 -11.107 -5.730 -1.892 263 H GLY 37 H GLY 37 -9.186 -6.500 1.368 264 1HA GLY 37 2HA GLY 37 -7.816 -6.639 3.386 265 2HA GLY 37 1HA GLY 37 -9.294 -6.577 4.344 266 H ALA 38 H ALA 38 -7.028 -8.593 4.074 267 HA ALA 38 HA ALA 38 -6.932 -10.928 4.481 268 1HB ALA 38 1HB ALA 38 -9.804 -11.305 3.833 269 2HB ALA 38 2HB ALA 38 -9.453 -10.206 5.167 270 3HB ALA 38 3HB ALA 38 -8.880 -11.874 5.223 271 H THR 39 H THR 39 -7.949 -9.466 1.587 272 HA THR 39 HA THR 39 -8.013 -12.022 0.089 273 HB THR 39 HB THR 39 -9.512 -9.797 -0.045 274 HG1 THR 39 1HG THR 39 -10.054 -10.523 -2.147 275 1HG2 THR 39 1HG2 THR 39 -7.328 -8.606 -0.822 276 2HG2 THR 39 2HG2 THR 39 -8.836 -8.262 -1.667 277 3HG2 THR 39 3HG2 THR 39 -7.666 -9.377 -2.371 278 H CYS 40 H CYS 40 -5.653 -10.308 1.286 279 HA CYS 40 HA CYS 40 -3.944 -9.541 -0.870 280 1HB CYS 40 2HB CYS 40 -3.541 -10.427 1.991 281 2HB CYS 40 1HB CYS 40 -2.177 -9.958 0.977 282 HA PRO 41 HA PRO 41 -3.014 -13.606 -2.416 283 1HB PRO 41 2HB PRO 41 -1.037 -12.838 -4.150 284 2HB PRO 41 1HB PRO 41 -2.765 -12.614 -4.487 285 1HG PRO 41 2HG PRO 41 -0.762 -10.645 -3.493 286 2HG PRO 41 1HG PRO 41 -2.067 -10.428 -4.669 287 1HD PRO 41 2HD PRO 41 -2.246 -9.596 -2.092 288 2HD PRO 41 1HD PRO 41 -3.657 -10.107 -3.046 289 H GLY 42 H GLY 42 -0.470 -14.456 -3.116 290 1HA GLY 42 2HA GLY 42 0.862 -14.512 -0.472 291 2HA GLY 42 1HA GLY 42 1.193 -15.606 -1.816 292 H ASP 43 H ASP 43 1.176 -12.924 -3.482 293 HA ASP 43 HA ASP 43 4.097 -12.466 -3.116 294 1HB ASP 43 2HB ASP 43 3.806 -11.380 -5.370 295 2HB ASP 43 1HB ASP 43 3.290 -13.067 -5.338 296 H TYR 44 H TYR 44 1.009 -10.981 -2.621 297 HA TYR 44 HA TYR 44 2.346 -8.364 -2.017 298 1HB TYR 44 2HB TYR 44 -0.526 -8.922 -2.819 299 2HB TYR 44 1HB TYR 44 0.244 -7.340 -2.691 300 HD1 TYR 44 1HD TYR 44 -1.095 -8.774 -5.173 301 HD2 TYR 44 2HD TYR 44 2.957 -8.245 -3.854 302 HE1 TYR 44 1HE TYR 44 -0.308 -8.956 -7.519 303 HE2 TYR 44 2HE TYR 44 3.745 -8.427 -6.198 304 HH TYR 44 HH TYR 44 3.017 -8.290 -8.397 305 H ALA 45 H ALA 45 1.744 -10.860 -0.296 306 HA ALA 45 HA ALA 45 -0.263 -9.836 1.615 307 1HB ALA 45 1HB ALA 45 1.104 -12.106 2.612 308 2HB ALA 45 2HB ALA 45 0.969 -12.342 0.869 309 3HB ALA 45 3HB ALA 45 -0.481 -12.075 1.838 310 H ASN 46 H ASN 46 2.496 -8.577 1.087 311 HA ASN 46 HA ASN 46 3.718 -8.814 3.792 312 1HB ASN 46 2HB ASN 46 4.524 -7.933 1.047 313 2HB ASN 46 1HB ASN 46 5.393 -7.254 2.424 314 1HD2 ASN 46 1HD2 ASN 46 6.695 -8.701 3.718 315 2HD2 ASN 46 2HD2 ASN 46 7.054 -10.280 3.212 Start of MODEL 8 1 1H THR 1 1HT THR 1 -8.419 -1.245 3.886 2 2H THR 1 2HT THR 1 -9.142 -2.430 4.867 3 3H THR 1 3HT THR 1 -8.977 -2.691 3.196 4 HA THR 1 HA THR 1 -6.676 -2.377 5.054 5 HB THR 1 HB THR 1 -8.280 -4.738 4.064 6 HG1 THR 1 1HG THR 1 -8.823 -4.729 6.072 7 1HG2 THR 1 1HG2 THR 1 -5.423 -4.685 5.059 8 2HG2 THR 1 2HG2 THR 1 -6.013 -5.326 3.525 9 3HG2 THR 1 3HG2 THR 1 -6.415 -6.144 5.035 10 H THR 2 H THR 2 -4.689 -3.241 3.952 11 HA THR 2 HA THR 2 -4.851 -3.159 0.970 12 HB THR 2 HB THR 2 -4.286 -0.938 2.070 13 HG1 THR 2 1HG THR 2 -2.861 -0.517 0.492 14 1HG2 THR 2 1HG2 THR 2 -1.515 -1.618 2.492 15 2HG2 THR 2 2HG2 THR 2 -2.551 -2.612 3.518 16 3HG2 THR 2 3HG2 THR 2 -2.653 -0.853 3.602 17 H CYS 3 H CYS 3 -2.599 -3.807 0.047 18 HA CYS 3 HA CYS 3 -1.041 -5.617 1.801 19 1HB CYS 3 2HB CYS 3 -3.069 -6.417 -0.195 20 2HB CYS 3 1HB CYS 3 -1.525 -7.252 -0.359 21 H CYS 4 H CYS 4 0.988 -4.809 1.330 22 HA CYS 4 HA CYS 4 1.623 -4.011 -1.468 23 1HB CYS 4 2HB CYS 4 3.256 -3.702 1.066 24 2HB CYS 4 1HB CYS 4 3.427 -2.792 -0.436 25 HA PRO 5 HA PRO 5 4.173 -7.493 -2.208 26 1HB PRO 5 2HB PRO 5 6.271 -6.387 -3.572 27 2HB PRO 5 1HB PRO 5 4.653 -6.589 -4.276 28 1HG PRO 5 2HG PRO 5 5.921 -4.157 -3.115 29 2HG PRO 5 1HG PRO 5 4.883 -4.318 -4.541 30 1HD PRO 5 2HD PRO 5 3.982 -3.407 -2.141 31 2HD PRO 5 1HD PRO 5 2.953 -4.267 -3.308 32 H SER 6 H SER 6 5.258 -4.975 -0.154 33 HA SER 6 HA SER 6 6.913 -6.682 1.422 34 1HB SER 6 2HB SER 6 8.428 -6.810 -0.401 35 2HB SER 6 1HB SER 6 8.221 -5.107 -0.797 36 HG SER 6 HG SER 6 9.755 -4.671 0.559 37 H ILE 7 H ILE 7 8.718 -5.058 2.562 38 HA ILE 7 HA ILE 7 7.137 -3.101 3.988 39 HB ILE 7 HB ILE 7 10.137 -3.559 3.838 40 1HG1 ILE 7 2HG1 ILE 7 8.917 -5.619 4.405 41 2HG1 ILE 7 1HG1 ILE 7 9.753 -4.999 5.829 42 1HG2 ILE 7 1HG2 ILE 7 8.333 -1.991 5.655 43 2HG2 ILE 7 2HG2 ILE 7 9.913 -1.555 5.006 44 3HG2 ILE 7 3HG2 ILE 7 9.791 -2.727 6.318 45 1HD1 ILE 7 1HD1 ILE 7 7.304 -3.703 5.926 46 2HD1 ILE 7 2HD1 ILE 7 7.752 -5.121 6.873 47 3HD1 ILE 7 3HD1 ILE 7 6.883 -5.317 5.352 48 H VAL 8 H VAL 8 9.473 -2.946 1.322 49 HA VAL 8 HA VAL 8 9.995 -0.167 1.269 50 HB VAL 8 HB VAL 8 9.546 -2.044 -1.076 51 1HG1 VAL 8 1HG1 VAL 8 11.260 0.434 -0.715 52 2HG1 VAL 8 2HG1 VAL 8 9.826 0.297 -1.731 53 3HG1 VAL 8 3HG1 VAL 8 11.284 -0.606 -2.139 54 1HG2 VAL 8 1HG2 VAL 8 12.297 -1.781 -0.376 55 2HG2 VAL 8 2HG2 VAL 8 11.301 -3.236 -0.321 56 3HG2 VAL 8 3HG2 VAL 8 11.417 -2.193 1.095 57 H ALA 9 H ALA 9 7.543 -1.875 -0.722 58 HA ALA 9 HA ALA 9 6.169 0.438 -1.625 59 1HB ALA 9 1HB ALA 9 4.251 -1.309 -1.785 60 2HB ALA 9 2HB ALA 9 5.425 -2.447 -1.123 61 3HB ALA 9 3HB ALA 9 5.741 -1.651 -2.665 62 H ARG 10 H ARG 10 4.947 -1.805 0.887 63 HA ARG 10 HA ARG 10 2.908 -0.333 1.990 64 1HB ARG 10 2HB ARG 10 4.039 -2.622 2.549 65 2HB ARG 10 1HB ARG 10 4.969 -1.689 3.716 66 1HG ARG 10 2HG ARG 10 3.231 -1.827 5.140 67 2HG ARG 10 1HG ARG 10 2.272 -0.875 4.005 68 1HD ARG 10 2HD ARG 10 0.964 -2.748 3.888 69 2HD ARG 10 1HD ARG 10 2.242 -3.373 2.831 70 HE ARG 10 HE ARG 10 3.132 -4.616 4.670 71 1HH1 ARG 10 1HH2 ARG 10 0.048 -4.711 5.175 72 2HH1 ARG 10 2HH2 ARG 10 0.025 -4.478 6.891 73 1HH2 ARG 10 1HH1 ARG 10 3.311 -3.386 7.058 74 2HH2 ARG 10 2HH1 ARG 10 1.869 -3.726 7.955 75 H SER 11 H SER 11 6.389 0.155 2.576 76 HA SER 11 HA SER 11 6.104 2.140 4.640 77 1HB SER 11 2HB SER 11 8.200 1.064 4.395 78 2HB SER 11 1HB SER 11 8.228 1.328 2.654 79 HG SER 11 HG SER 11 9.494 2.762 4.240 80 H ASN 12 H ASN 12 6.699 2.443 1.119 81 HA ASN 12 HA ASN 12 6.695 5.275 0.955 82 1HB ASN 12 2HB ASN 12 5.527 3.360 -1.082 83 2HB ASN 12 1HB ASN 12 6.363 4.881 -1.391 84 1HD2 ASN 12 1HD2 ASN 12 7.119 2.172 -2.387 85 2HD2 ASN 12 2HD2 ASN 12 8.683 1.879 -1.801 86 H PHE 13 H PHE 13 3.961 3.074 0.213 87 HA PHE 13 HA PHE 13 1.918 4.972 -0.064 88 1HB PHE 13 2HB PHE 13 1.243 2.823 -0.554 89 2HB PHE 13 1HB PHE 13 2.204 2.117 0.736 90 HD1 PHE 13 1HD PHE 13 0.637 0.755 1.874 91 HD2 PHE 13 2HD PHE 13 -0.330 4.847 1.000 92 HE1 PHE 13 1HE PHE 13 -1.381 0.586 3.305 93 HE2 PHE 13 2HE PHE 13 -2.339 4.681 2.434 94 HZ PHE 13 HZ PHE 13 -2.872 2.548 3.584 95 H ASN 14 H ASN 14 3.255 3.569 2.904 96 HA ASN 14 HA ASN 14 1.370 4.799 4.728 97 1HB ASN 14 2HB ASN 14 3.860 3.238 4.764 98 2HB ASN 14 1HB ASN 14 3.760 4.391 6.095 99 1HD2 ASN 14 1HD2 ASN 14 3.445 1.361 6.109 100 2HD2 ASN 14 2HD2 ASN 14 1.935 1.090 6.834 101 H VAL 15 H VAL 15 4.401 5.750 3.270 102 HA VAL 15 HA VAL 15 4.907 8.095 4.858 103 HB VAL 15 HB VAL 15 5.926 6.598 2.605 104 1HG1 VAL 15 1HG1 VAL 15 5.219 8.421 1.168 105 2HG1 VAL 15 2HG1 VAL 15 6.969 8.506 1.372 106 3HG1 VAL 15 3HG1 VAL 15 5.921 9.609 2.266 107 1HG2 VAL 15 1HG2 VAL 15 7.919 8.288 3.403 108 2HG2 VAL 15 2HG2 VAL 15 7.506 6.775 4.210 109 3HG2 VAL 15 3HG2 VAL 15 6.859 8.301 4.813 110 H CYS 16 H CYS 16 2.676 7.334 2.359 111 HA CYS 16 HA CYS 16 2.223 10.100 1.477 112 1HB CYS 16 2HB CYS 16 1.785 7.405 0.624 113 2HB CYS 16 1HB CYS 16 0.236 8.239 0.640 114 H ARG 17 H ARG 17 0.816 7.779 3.717 115 HA ARG 17 HA ARG 17 -1.738 9.140 4.024 116 1HB ARG 17 2HB ARG 17 -0.188 7.135 5.699 117 2HB ARG 17 1HB ARG 17 -1.864 7.594 6.006 118 1HG ARG 17 2HG ARG 17 -1.055 6.640 3.273 119 2HG ARG 17 1HG ARG 17 -1.370 5.469 4.555 120 1HD ARG 17 2HD ARG 17 -3.381 7.653 4.138 121 2HD ARG 17 1HD ARG 17 -3.353 6.302 2.988 122 HE ARG 17 HE ARG 17 -3.243 4.937 5.307 123 1HH1 ARG 17 1HH1 ARG 17 -4.496 7.967 5.728 124 2HH1 ARG 17 2HH1 ARG 17 -6.089 7.464 6.184 125 1HH2 ARG 17 1HH2 ARG 17 -5.575 4.144 5.323 126 2HH2 ARG 17 2HH2 ARG 17 -6.701 5.298 5.954 127 H LEU 18 H LEU 18 1.428 9.847 5.000 128 HA LEU 18 HA LEU 18 0.933 11.024 7.586 129 1HB LEU 18 2HB LEU 18 3.045 10.507 5.678 130 2HB LEU 18 1HB LEU 18 3.194 12.135 6.325 131 HG LEU 18 HG LEU 18 2.890 9.614 7.971 132 1HD1 LEU 18 1HD1 LEU 18 5.128 9.422 7.827 133 2HD1 LEU 18 2HD1 LEU 18 5.308 11.049 8.486 134 3HD1 LEU 18 3HD1 LEU 18 5.180 10.812 6.743 135 1HD2 LEU 18 1HD2 LEU 18 3.733 12.274 9.069 136 2HD2 LEU 18 2HD2 LEU 18 2.886 10.950 9.872 137 3HD2 LEU 18 3HD2 LEU 18 2.019 12.001 8.752 138 HA PRO 19 HA PRO 19 0.989 15.138 5.131 139 1HB PRO 19 2HB PRO 19 0.926 14.999 2.398 140 2HB PRO 19 1HB PRO 19 2.433 15.037 3.336 141 1HG PRO 19 2HG PRO 19 1.032 12.718 2.103 142 2HG PRO 19 1HG PRO 19 2.766 13.062 2.214 143 1HD PRO 19 2HD PRO 19 1.488 11.297 3.839 144 2HD PRO 19 1HD PRO 19 2.937 12.199 4.329 145 H GLY 20 H GLY 20 -0.571 13.632 2.361 146 1HA GLY 20 2HA GLY 20 -3.224 13.633 3.568 147 2HA GLY 20 1HA GLY 20 -2.972 14.993 2.472 148 H THR 21 H THR 21 -1.374 11.941 1.913 149 HA THR 21 HA THR 21 -2.737 11.708 -0.668 150 HB THR 21 HB THR 21 -0.679 9.882 0.562 151 HG1 THR 21 1HG THR 21 -0.477 12.484 -0.348 152 1HG2 THR 21 1HG2 THR 21 -1.124 8.833 -1.386 153 2HG2 THR 21 2HG2 THR 21 -0.220 10.142 -2.148 154 3HG2 THR 21 3HG2 THR 21 -1.976 10.228 -2.044 155 HA PRO 22 HA PRO 22 -5.483 8.668 1.034 156 1HB PRO 22 2HB PRO 22 -6.699 8.076 -1.349 157 2HB PRO 22 1HB PRO 22 -7.095 9.513 -0.387 158 1HG PRO 22 2HG PRO 22 -5.376 9.269 -2.800 159 2HG PRO 22 1HG PRO 22 -6.496 10.559 -2.346 160 1HD PRO 22 2HD PRO 22 -3.779 10.751 -2.025 161 2HD PRO 22 1HD PRO 22 -4.950 11.605 -1.009 162 H GLU 23 H GLU 23 -4.693 6.707 1.444 163 HA GLU 23 HA GLU 23 -2.594 5.284 0.517 164 1HB GLU 23 2HB GLU 23 -3.821 3.267 1.219 165 2HB GLU 23 1HB GLU 23 -4.183 4.612 2.301 166 1HG GLU 23 2HG GLU 23 -6.189 5.060 0.709 167 2HG GLU 23 1HG GLU 23 -5.917 3.407 0.154 168 H ALA 24 H ALA 24 -5.614 5.655 -1.267 169 HA ALA 24 HA ALA 24 -5.178 3.553 -3.186 170 1HB ALA 24 1HB ALA 24 -6.989 5.793 -2.656 171 2HB ALA 24 2HB ALA 24 -7.340 4.213 -3.356 172 3HB ALA 24 3HB ALA 24 -6.741 5.517 -4.381 173 H LEU 25 H LEU 25 -4.468 7.073 -3.257 174 HA LEU 25 HA LEU 25 -3.447 7.068 -5.947 175 1HB LEU 25 2HB LEU 25 -4.213 8.906 -4.138 176 2HB LEU 25 1HB LEU 25 -2.465 9.029 -3.947 177 HG LEU 25 HG LEU 25 -3.461 8.898 -6.732 178 1HD1 LEU 25 1HD1 LEU 25 -4.735 10.758 -6.716 179 2HD1 LEU 25 2HD1 LEU 25 -3.548 11.635 -5.749 180 3HD1 LEU 25 3HD1 LEU 25 -4.758 10.624 -4.958 181 1HD2 LEU 25 1HD2 LEU 25 -1.580 10.246 -7.150 182 2HD2 LEU 25 2HD2 LEU 25 -1.049 9.259 -5.789 183 3HD2 LEU 25 3HD2 LEU 25 -1.584 10.917 -5.519 184 H CYS 26 H CYS 26 -1.856 6.610 -2.771 185 HA CYS 26 HA CYS 26 0.783 6.543 -4.133 186 1HB CYS 26 2HB CYS 26 -0.215 7.229 -1.574 187 2HB CYS 26 1HB CYS 26 0.859 5.848 -1.347 188 H ALA 27 H ALA 27 -1.651 4.315 -3.171 189 HA ALA 27 HA ALA 27 0.193 2.069 -2.825 190 1HB ALA 27 1HB ALA 27 -1.939 0.797 -2.665 191 2HB ALA 27 2HB ALA 27 -2.812 2.248 -3.156 192 3HB ALA 27 3HB ALA 27 -1.955 2.213 -1.615 193 H THR 28 H THR 28 -1.761 3.519 -5.200 194 HA THR 28 HA THR 28 -1.436 1.453 -7.245 195 HB THR 28 HB THR 28 -2.784 4.061 -6.816 196 HG1 THR 28 1HG THR 28 -4.425 2.838 -7.271 197 1HG2 THR 28 1HG2 THR 28 -1.695 3.248 -9.496 198 2HG2 THR 28 2HG2 THR 28 -1.752 4.849 -8.760 199 3HG2 THR 28 3HG2 THR 28 -3.227 4.114 -9.388 200 H TYR 29 H TYR 29 0.155 4.428 -6.243 201 HA TYR 29 HA TYR 29 1.834 4.550 -8.670 202 1HB TYR 29 2HB TYR 29 1.056 6.605 -7.651 203 2HB TYR 29 1HB TYR 29 1.685 6.117 -6.078 204 HD1 TYR 29 1HD TYR 29 3.385 7.681 -5.591 205 HD2 TYR 29 2HD TYR 29 3.254 5.809 -9.455 206 HE1 TYR 29 1HE TYR 29 5.582 8.686 -6.152 207 HE2 TYR 29 2HE TYR 29 5.451 6.814 -10.016 208 HH TYR 29 HH TYR 29 6.922 8.484 -9.386 209 H THR 30 H THR 30 2.127 3.562 -5.266 210 HA THR 30 HA THR 30 5.021 3.100 -5.544 211 HB THR 30 HB THR 30 3.664 3.959 -3.505 212 HG1 THR 30 1HG THR 30 5.335 1.839 -2.805 213 1HG2 THR 30 1HG2 THR 30 2.056 2.042 -3.575 214 2HG2 THR 30 2HG2 THR 30 2.839 2.255 -2.009 215 3HG2 THR 30 3HG2 THR 30 3.380 0.977 -3.100 216 H GLY 31 H GLY 31 2.171 1.324 -6.184 217 1HA GLY 31 2HA GLY 31 2.516 -0.813 -7.411 218 2HA GLY 31 1HA GLY 31 3.788 -1.192 -6.250 219 H CYS 32 H CYS 32 2.543 -0.570 -3.844 220 HA CYS 32 HA CYS 32 1.152 -2.860 -3.111 221 1HB CYS 32 2HB CYS 32 2.039 -0.918 -1.709 222 2HB CYS 32 1HB CYS 32 0.540 -0.072 -2.091 223 H ILE 33 H ILE 33 -1.289 -2.893 -2.435 224 HA ILE 33 HA ILE 33 -2.985 -1.429 -4.409 225 HB ILE 33 HB ILE 33 -4.134 -3.702 -4.750 226 1HG1 ILE 33 2HG1 ILE 33 -1.524 -4.902 -3.892 227 2HG1 ILE 33 1HG1 ILE 33 -2.738 -4.556 -2.659 228 1HG2 ILE 33 1HG2 ILE 33 -1.597 -4.326 -5.894 229 2HG2 ILE 33 2HG2 ILE 33 -1.768 -2.572 -5.908 230 3HG2 ILE 33 3HG2 ILE 33 -2.987 -3.583 -6.684 231 1HD1 ILE 33 1HD1 ILE 33 -3.343 -6.718 -3.278 232 2HD1 ILE 33 2HD1 ILE 33 -2.869 -6.478 -4.960 233 3HD1 ILE 33 3HD1 ILE 33 -4.363 -5.762 -4.354 234 H ILE 34 H ILE 34 -5.209 -1.225 -3.692 235 HA ILE 34 HA ILE 34 -5.494 -1.419 -0.748 236 HB ILE 34 HB ILE 34 -7.563 -0.420 -2.702 237 1HG1 ILE 34 2HG1 ILE 34 -5.277 0.540 -3.279 238 2HG1 ILE 34 1HG1 ILE 34 -6.499 1.719 -2.819 239 1HG2 ILE 34 1HG2 ILE 34 -8.119 1.076 -0.864 240 2HG2 ILE 34 2HG2 ILE 34 -6.715 0.525 0.051 241 3HG2 ILE 34 3HG2 ILE 34 -8.054 -0.579 -0.259 242 1HD1 ILE 34 1HD1 ILE 34 -4.298 0.625 -1.049 243 2HD1 ILE 34 2HD1 ILE 34 -5.593 1.681 -0.486 244 3HD1 ILE 34 3HD1 ILE 34 -4.430 2.269 -1.674 245 H ILE 35 H ILE 35 -7.553 -2.360 0.108 246 HA ILE 35 HA ILE 35 -9.114 -4.181 -1.558 247 HB ILE 35 HB ILE 35 -8.205 -6.172 -0.063 248 1HG1 ILE 35 2HG1 ILE 35 -5.809 -4.310 -0.167 249 2HG1 ILE 35 1HG1 ILE 35 -6.737 -4.665 1.291 250 1HG2 ILE 35 1HG2 ILE 35 -6.176 -5.479 -2.086 251 2HG2 ILE 35 2HG2 ILE 35 -7.841 -5.386 -2.661 252 3HG2 ILE 35 3HG2 ILE 35 -7.226 -6.892 -1.979 253 1HD1 ILE 35 1HD1 ILE 35 -5.554 -6.884 -0.374 254 2HD1 ILE 35 2HD1 ILE 35 -6.060 -6.925 1.315 255 3HD1 ILE 35 3HD1 ILE 35 -4.595 -6.059 0.855 256 HA PRO 36 HA PRO 36 -11.800 -3.764 1.894 257 1HB PRO 36 2HB PRO 36 -13.377 -5.972 1.541 258 2HB PRO 36 1HB PRO 36 -13.478 -4.542 0.494 259 1HG PRO 36 2HG PRO 36 -12.162 -7.159 0.004 260 2HG PRO 36 1HG PRO 36 -13.022 -6.097 -1.121 261 1HD PRO 36 2HD PRO 36 -10.286 -6.282 -0.948 262 2HD PRO 36 1HD PRO 36 -11.158 -4.868 -1.580 263 H GLY 37 H GLY 37 -10.076 -6.795 1.387 264 1HA GLY 37 2HA GLY 37 -10.039 -7.196 4.346 265 2HA GLY 37 1HA GLY 37 -10.301 -8.556 3.255 266 H ALA 38 H ALA 38 -8.422 -9.685 3.653 267 HA ALA 38 HA ALA 38 -5.870 -8.347 2.817 268 1HB ALA 38 1HB ALA 38 -4.975 -8.805 4.844 269 2HB ALA 38 2HB ALA 38 -5.638 -10.440 4.842 270 3HB ALA 38 3HB ALA 38 -6.632 -9.087 5.379 271 H THR 39 H THR 39 -7.724 -10.103 1.367 272 HA THR 39 HA THR 39 -6.555 -12.765 1.279 273 HB THR 39 HB THR 39 -8.950 -11.623 0.674 274 HG1 THR 39 1HG THR 39 -9.424 -13.650 0.481 275 1HG2 THR 39 1HG2 THR 39 -7.954 -10.650 -1.412 276 2HG2 THR 39 2HG2 THR 39 -9.327 -11.716 -1.711 277 3HG2 THR 39 3HG2 THR 39 -7.684 -12.293 -1.990 278 H CYS 40 H CYS 40 -5.205 -10.028 0.360 279 HA CYS 40 HA CYS 40 -4.461 -10.050 -2.305 280 1HB CYS 40 2HB CYS 40 -2.140 -9.343 -1.324 281 2HB CYS 40 1HB CYS 40 -3.548 -8.355 -0.947 282 HA PRO 41 HA PRO 41 -2.327 -13.754 -3.192 283 1HB PRO 41 2HB PRO 41 -0.185 -12.912 -4.674 284 2HB PRO 41 1HB PRO 41 -1.852 -12.906 -5.286 285 1HG PRO 41 2HG PRO 41 -0.235 -10.658 -4.185 286 2HG PRO 41 1HG PRO 41 -1.342 -10.680 -5.567 287 1HD PRO 41 2HD PRO 41 -2.031 -9.670 -3.148 288 2HD PRO 41 1HD PRO 41 -3.208 -10.421 -4.247 289 H GLY 42 H GLY 42 0.056 -14.728 -3.179 290 1HA GLY 42 2HA GLY 42 1.091 -14.304 -0.484 291 2HA GLY 42 1HA GLY 42 1.699 -15.473 -1.656 292 H ASP 43 H ASP 43 1.686 -12.873 -3.509 293 HA ASP 43 HA ASP 43 4.518 -12.223 -2.878 294 1HB ASP 43 2HB ASP 43 3.270 -12.857 -5.181 295 2HB ASP 43 1HB ASP 43 3.059 -11.105 -5.230 296 H TYR 44 H TYR 44 1.331 -10.895 -2.670 297 HA TYR 44 HA TYR 44 2.472 -8.196 -2.037 298 1HB TYR 44 2HB TYR 44 -0.310 -8.950 -2.981 299 2HB TYR 44 1HB TYR 44 0.357 -7.321 -2.856 300 HD1 TYR 44 1HD TYR 44 3.183 -8.109 -3.837 301 HD2 TYR 44 2HD TYR 44 -0.753 -8.878 -5.370 302 HE1 TYR 44 1HE TYR 44 4.115 -8.309 -6.127 303 HE2 TYR 44 2HE TYR 44 0.177 -9.078 -7.660 304 HH TYR 44 HH TYR 44 2.122 -8.382 -8.921 305 H ALA 45 H ALA 45 1.615 -10.852 -0.466 306 HA ALA 45 HA ALA 45 -0.351 -9.731 1.432 307 1HB ALA 45 1HB ALA 45 0.258 -12.061 2.501 308 2HB ALA 45 2HB ALA 45 1.065 -12.341 0.958 309 3HB ALA 45 3HB ALA 45 -0.667 -12.011 1.001 310 H ASN 46 H ASN 46 2.368 -8.483 1.180 311 HA ASN 46 HA ASN 46 3.253 -8.883 4.018 312 1HB ASN 46 2HB ASN 46 4.774 -9.932 2.374 313 2HB ASN 46 1HB ASN 46 4.924 -8.389 1.531 314 1HD2 ASN 46 1HD2 ASN 46 5.806 -6.528 2.928 315 2HD2 ASN 46 2HD2 ASN 46 6.960 -6.911 4.112 Start of MODEL 9 1 1H THR 1 1HT THR 1 -8.970 -3.619 3.354 2 2H THR 1 2HT THR 1 -8.352 -3.544 1.773 3 3H THR 1 3HT THR 1 -8.404 -2.144 2.735 4 HA THR 1 HA THR 1 -6.654 -2.838 4.093 5 HB THR 1 HB THR 1 -7.484 -5.525 2.985 6 HG1 THR 1 1HG THR 1 -7.008 -4.969 5.668 7 1HG2 THR 1 1HG2 THR 1 -4.874 -4.680 4.149 8 2HG2 THR 1 2HG2 THR 1 -5.225 -5.954 2.982 9 3HG2 THR 1 3HG2 THR 1 -5.542 -6.219 4.695 10 H THR 2 H THR 2 -4.717 -2.147 3.273 11 HA THR 2 HA THR 2 -4.226 -2.212 0.389 12 HB THR 2 HB THR 2 -2.483 -1.344 2.719 13 HG1 THR 2 1HG THR 2 -4.578 -0.346 2.594 14 1HG2 THR 2 1HG2 THR 2 -2.300 -1.132 -0.241 15 2HG2 THR 2 2HG2 THR 2 -1.015 -1.215 0.964 16 3HG2 THR 2 3HG2 THR 2 -1.861 0.305 0.681 17 H CYS 3 H CYS 3 -1.990 -2.983 -0.384 18 HA CYS 3 HA CYS 3 -0.919 -5.285 1.169 19 1HB CYS 3 2HB CYS 3 -2.096 -5.388 -1.625 20 2HB CYS 3 1HB CYS 3 -1.193 -6.708 -0.883 21 H CYS 4 H CYS 4 1.284 -5.251 1.023 22 HA CYS 4 HA CYS 4 2.535 -3.950 -1.373 23 1HB CYS 4 2HB CYS 4 3.169 -3.786 1.585 24 2HB CYS 4 1HB CYS 4 4.278 -3.211 0.340 25 HA PRO 5 HA PRO 5 4.626 -7.813 -1.708 26 1HB PRO 5 2HB PRO 5 6.644 -7.025 -3.378 27 2HB PRO 5 1HB PRO 5 4.971 -7.265 -3.923 28 1HG PRO 5 2HG PRO 5 6.406 -4.740 -3.270 29 2HG PRO 5 1HG PRO 5 5.246 -5.076 -4.564 30 1HD PRO 5 2HD PRO 5 4.594 -3.759 -2.268 31 2HD PRO 5 1HD PRO 5 3.434 -4.720 -3.211 32 H SER 6 H SER 6 5.927 -5.076 -0.141 33 HA SER 6 HA SER 6 7.683 -6.592 1.525 34 1HB SER 6 2HB SER 6 9.841 -5.683 0.461 35 2HB SER 6 1HB SER 6 9.020 -6.969 -0.415 36 HG SER 6 HG SER 6 8.494 -5.599 -1.946 37 H ILE 7 H ILE 7 8.992 -5.156 2.940 38 HA ILE 7 HA ILE 7 7.708 -2.899 3.928 39 HB ILE 7 HB ILE 7 10.650 -3.610 3.739 40 1HG1 ILE 7 2HG1 ILE 7 8.541 -3.954 5.894 41 2HG1 ILE 7 1HG1 ILE 7 9.272 -5.239 4.933 42 1HG2 ILE 7 1HG2 ILE 7 9.344 -1.630 5.626 43 2HG2 ILE 7 2HG2 ILE 7 10.249 -1.160 4.188 44 3HG2 ILE 7 3HG2 ILE 7 11.062 -2.006 5.504 45 1HD1 ILE 7 1HD1 ILE 7 10.346 -5.119 7.137 46 2HD1 ILE 7 2HD1 ILE 7 10.733 -3.419 6.869 47 3HD1 ILE 7 3HD1 ILE 7 11.492 -4.663 5.875 48 H VAL 8 H VAL 8 9.823 -3.146 1.123 49 HA VAL 8 HA VAL 8 10.505 -0.462 0.647 50 HB VAL 8 HB VAL 8 9.678 -2.699 -1.230 51 1HG1 VAL 8 1HG1 VAL 8 9.577 -0.466 -2.325 52 2HG1 VAL 8 2HG1 VAL 8 10.878 -1.465 -2.973 53 3HG1 VAL 8 3HG1 VAL 8 11.244 -0.172 -1.831 54 1HG2 VAL 8 1HG2 VAL 8 11.877 -2.409 0.490 55 2HG2 VAL 8 2HG2 VAL 8 12.494 -1.980 -1.105 56 3HG2 VAL 8 3HG2 VAL 8 11.735 -3.551 -0.847 57 H ALA 9 H ALA 9 7.688 -2.131 -0.831 58 HA ALA 9 HA ALA 9 6.403 0.321 -1.649 59 1HB ALA 9 1HB ALA 9 4.859 -2.177 -1.082 60 2HB ALA 9 2HB ALA 9 6.160 -2.284 -2.267 61 3HB ALA 9 3HB ALA 9 4.831 -1.150 -2.515 62 H ARG 10 H ARG 10 5.665 -1.980 0.991 63 HA ARG 10 HA ARG 10 3.575 -0.747 2.305 64 1HB ARG 10 2HB ARG 10 4.972 -2.863 2.794 65 2HB ARG 10 1HB ARG 10 6.030 -1.799 3.718 66 1HG ARG 10 2HG ARG 10 4.431 -2.705 5.267 67 2HG ARG 10 1HG ARG 10 3.965 -1.027 4.980 68 1HD ARG 10 2HD ARG 10 1.920 -1.787 4.367 69 2HD ARG 10 1HD ARG 10 2.686 -2.538 2.955 70 HE ARG 10 HE ARG 10 3.220 -4.477 4.592 71 1HH1 ARG 10 1HH2 ARG 10 1.098 -2.289 5.981 72 2HH1 ARG 10 2HH2 ARG 10 -0.142 -3.444 6.340 73 1HH2 ARG 10 1HH1 ARG 10 1.371 -6.017 4.575 74 2HH2 ARG 10 2HH1 ARG 10 0.012 -5.554 5.544 75 H SER 11 H SER 11 6.969 0.264 2.293 76 HA SER 11 HA SER 11 6.720 2.243 4.389 77 1HB SER 11 2HB SER 11 8.847 1.256 3.728 78 2HB SER 11 1HB SER 11 8.649 1.843 2.080 79 HG SER 11 HG SER 11 8.940 3.903 2.780 80 H ASN 12 H ASN 12 6.783 2.509 0.810 81 HA ASN 12 HA ASN 12 6.343 5.340 0.705 82 1HB ASN 12 2HB ASN 12 5.421 3.278 -1.308 83 2HB ASN 12 1HB ASN 12 5.985 4.918 -1.624 84 1HD2 ASN 12 1HD2 ASN 12 7.164 2.505 -2.798 85 2HD2 ASN 12 2HD2 ASN 12 8.764 2.413 -2.243 86 H PHE 13 H PHE 13 4.019 2.667 0.133 87 HA PHE 13 HA PHE 13 1.632 4.002 -0.162 88 1HB PHE 13 2HB PHE 13 1.547 1.666 -0.208 89 2HB PHE 13 1HB PHE 13 2.488 1.505 1.273 90 HD1 PHE 13 1HD PHE 13 -0.570 3.539 0.538 91 HD2 PHE 13 2HD PHE 13 1.153 0.316 2.794 92 HE1 PHE 13 1HE PHE 13 -2.661 3.339 1.853 93 HE2 PHE 13 2HE PHE 13 -0.941 0.115 4.109 94 HZ PHE 13 HZ PHE 13 -2.849 1.627 3.638 95 H ASN 14 H ASN 14 3.307 3.408 2.926 96 HA ASN 14 HA ASN 14 1.270 4.875 4.464 97 1HB ASN 14 2HB ASN 14 3.752 3.289 4.929 98 2HB ASN 14 1HB ASN 14 3.333 4.477 6.164 99 1HD2 ASN 14 1HD2 ASN 14 2.841 1.275 5.364 100 2HD2 ASN 14 2HD2 ASN 14 1.357 1.020 6.150 101 H VAL 15 H VAL 15 4.329 5.535 2.908 102 HA VAL 15 HA VAL 15 4.980 7.942 4.386 103 HB VAL 15 HB VAL 15 6.038 6.238 2.333 104 1HG1 VAL 15 1HG1 VAL 15 6.170 9.190 1.640 105 2HG1 VAL 15 2HG1 VAL 15 5.329 7.953 0.706 106 3HG1 VAL 15 3HG1 VAL 15 7.085 7.907 0.848 107 1HG2 VAL 15 1HG2 VAL 15 7.477 6.645 4.082 108 2HG2 VAL 15 2HG2 VAL 15 6.996 8.336 4.225 109 3HG2 VAL 15 3HG2 VAL 15 8.089 7.836 2.934 110 H CYS 16 H CYS 16 3.043 7.214 1.530 111 HA CYS 16 HA CYS 16 2.685 10.050 0.828 112 1HB CYS 16 2HB CYS 16 2.710 8.750 -1.070 113 2HB CYS 16 1HB CYS 16 2.089 7.336 -0.231 114 H ARG 17 H ARG 17 0.984 7.546 2.603 115 HA ARG 17 HA ARG 17 -1.547 9.035 2.716 116 1HB ARG 17 2HB ARG 17 -0.707 6.389 2.899 117 2HB ARG 17 1HB ARG 17 -1.121 6.799 4.563 118 1HG ARG 17 2HG ARG 17 -2.955 7.435 2.248 119 2HG ARG 17 1HG ARG 17 -3.032 5.899 3.115 120 1HD ARG 17 2HD ARG 17 -3.109 7.455 5.255 121 2HD ARG 17 1HD ARG 17 -3.705 8.655 4.090 122 HE ARG 17 HE ARG 17 -5.082 6.243 3.560 123 1HH1 ARG 17 1HH1 ARG 17 -4.600 6.948 6.701 124 2HH1 ARG 17 2HH1 ARG 17 -6.227 7.404 7.082 125 1HH2 ARG 17 1HH2 ARG 17 -7.250 7.521 3.773 126 2HH2 ARG 17 2HH2 ARG 17 -7.726 7.730 5.424 127 H LEU 18 H LEU 18 1.414 9.303 4.237 128 HA LEU 18 HA LEU 18 0.570 9.734 6.977 129 1HB LEU 18 2HB LEU 18 2.932 9.517 5.363 130 2HB LEU 18 1HB LEU 18 3.043 10.979 6.334 131 HG LEU 18 HG LEU 18 2.408 8.211 7.386 132 1HD1 LEU 18 1HD1 LEU 18 4.846 9.056 6.605 133 2HD1 LEU 18 2HD1 LEU 18 4.610 8.003 8.002 134 3HD1 LEU 18 3HD1 LEU 18 4.819 9.739 8.231 135 1HD2 LEU 18 1HD2 LEU 18 2.347 10.950 8.560 136 2HD2 LEU 18 2HD2 LEU 18 3.037 9.673 9.563 137 3HD2 LEU 18 3HD2 LEU 18 1.383 9.530 8.968 138 HA PRO 19 HA PRO 19 1.074 14.318 5.658 139 1HB PRO 19 2HB PRO 19 0.963 14.892 2.987 140 2HB PRO 19 1HB PRO 19 2.480 14.576 3.851 141 1HG PRO 19 2HG PRO 19 0.898 12.784 2.088 142 2HG PRO 19 1HG PRO 19 2.652 12.932 2.272 143 1HD PRO 19 2HD PRO 19 1.160 10.937 3.387 144 2HD PRO 19 1HD PRO 19 2.717 11.484 4.036 145 H GLY 20 H GLY 20 -0.686 13.562 2.675 146 1HA GLY 20 2HA GLY 20 -3.269 13.699 4.065 147 2HA GLY 20 1HA GLY 20 -2.910 15.084 3.035 148 H THR 21 H THR 21 -1.804 11.839 2.210 149 HA THR 21 HA THR 21 -3.509 11.984 -0.191 150 HB THR 21 HB THR 21 -1.398 9.936 0.358 151 HG1 THR 21 1HG THR 21 -0.974 12.610 -0.512 152 1HG2 THR 21 1HG2 THR 21 -1.068 10.463 -2.168 153 2HG2 THR 21 2HG2 THR 21 -2.618 11.287 -2.037 154 3HG2 THR 21 3HG2 THR 21 -2.504 9.564 -1.678 155 HA PRO 22 HA PRO 22 -5.982 8.716 1.404 156 1HB PRO 22 2HB PRO 22 -7.179 8.049 -0.966 157 2HB PRO 22 1HB PRO 22 -7.623 9.493 -0.035 158 1HG PRO 22 2HG PRO 22 -5.926 9.256 -2.463 159 2HG PRO 22 1HG PRO 22 -7.050 10.541 -1.992 160 1HD PRO 22 2HD PRO 22 -4.310 10.705 -1.718 161 2HD PRO 22 1HD PRO 22 -5.462 11.639 -0.759 162 H GLU 23 H GLU 23 -5.241 6.710 1.770 163 HA GLU 23 HA GLU 23 -3.063 5.365 0.906 164 1HB GLU 23 2HB GLU 23 -4.501 3.251 1.256 165 2HB GLU 23 1HB GLU 23 -4.448 4.412 2.581 166 1HG GLU 23 2HG GLU 23 -6.695 4.528 2.493 167 2HG GLU 23 1HG GLU 23 -6.552 5.264 0.899 168 H ALA 24 H ALA 24 -5.977 5.776 -1.046 169 HA ALA 24 HA ALA 24 -5.550 3.752 -2.998 170 1HB ALA 24 1HB ALA 24 -7.372 5.726 -2.476 171 2HB ALA 24 2HB ALA 24 -7.335 4.796 -3.974 172 3HB ALA 24 3HB ALA 24 -6.566 6.381 -3.902 173 H LEU 25 H LEU 25 -4.462 7.176 -2.958 174 HA LEU 25 HA LEU 25 -2.967 7.008 -5.416 175 1HB LEU 25 2HB LEU 25 -3.735 8.841 -3.357 176 2HB LEU 25 1HB LEU 25 -1.999 8.986 -3.599 177 HG LEU 25 HG LEU 25 -3.355 10.482 -5.074 178 1HD1 LEU 25 1HD1 LEU 25 -1.051 9.549 -5.655 179 2HD1 LEU 25 2HD1 LEU 25 -2.020 10.098 -7.022 180 3HD1 LEU 25 3HD1 LEU 25 -1.888 8.375 -6.669 181 1HD2 LEU 25 1HD2 LEU 25 -4.101 8.581 -7.056 182 2HD2 LEU 25 2HD2 LEU 25 -5.160 9.633 -6.117 183 3HD2 LEU 25 3HD2 LEU 25 -4.761 8.022 -5.519 184 H CYS 26 H CYS 26 -2.136 6.670 -1.986 185 HA CYS 26 HA CYS 26 0.695 6.559 -2.209 186 1HB CYS 26 2HB CYS 26 -1.165 5.156 -0.270 187 2HB CYS 26 1HB CYS 26 0.525 5.571 0.022 188 H ALA 27 H ALA 27 -1.730 4.026 -2.742 189 HA ALA 27 HA ALA 27 0.427 2.008 -2.985 190 1HB ALA 27 1HB ALA 27 -2.151 1.979 -1.982 191 2HB ALA 27 2HB ALA 27 -1.213 0.540 -2.385 192 3HB ALA 27 3HB ALA 27 -2.342 1.214 -3.560 193 H THR 28 H THR 28 -1.302 4.135 -4.861 194 HA THR 28 HA THR 28 -1.305 2.575 -7.348 195 HB THR 28 HB THR 28 -2.240 5.184 -6.285 196 HG1 THR 28 1HG THR 28 -3.322 3.678 -8.397 197 1HG2 THR 28 1HG2 THR 28 -1.059 6.251 -7.985 198 2HG2 THR 28 2HG2 THR 28 -2.593 5.899 -8.781 199 3HG2 THR 28 3HG2 THR 28 -1.190 4.873 -9.077 200 H TYR 29 H TYR 29 0.702 4.862 -5.641 201 HA TYR 29 HA TYR 29 2.460 5.368 -7.959 202 1HB TYR 29 2HB TYR 29 1.671 6.885 -5.905 203 2HB TYR 29 1HB TYR 29 3.076 6.149 -5.134 204 HD1 TYR 29 1HD TYR 29 4.656 7.906 -5.072 205 HD2 TYR 29 2HD TYR 29 2.597 7.003 -8.725 206 HE1 TYR 29 1HE TYR 29 6.147 9.468 -6.295 207 HE2 TYR 29 2HE TYR 29 4.085 8.562 -9.955 208 HH TYR 29 HH TYR 29 6.199 10.745 -8.321 209 H THR 30 H THR 30 2.591 3.751 -4.794 210 HA THR 30 HA THR 30 5.306 2.746 -5.293 211 HB THR 30 HB THR 30 4.183 3.519 -3.082 212 HG1 THR 30 1HG THR 30 5.690 1.150 -3.407 213 1HG2 THR 30 1HG2 THR 30 2.269 1.819 -3.554 214 2HG2 THR 30 2HG2 THR 30 2.874 1.985 -1.906 215 3HG2 THR 30 3HG2 THR 30 3.397 0.629 -2.905 216 H GLY 31 H GLY 31 2.112 1.686 -5.994 217 1HA GLY 31 2HA GLY 31 1.897 -0.265 -7.500 218 2HA GLY 31 1HA GLY 31 3.208 -1.031 -6.601 219 H CYS 32 H CYS 32 2.319 -0.497 -3.963 220 HA CYS 32 HA CYS 32 0.765 -2.656 -3.256 221 1HB CYS 32 2HB CYS 32 0.718 0.159 -2.119 222 2HB CYS 32 1HB CYS 32 0.133 -1.270 -1.269 223 H ILE 33 H ILE 33 -1.537 -2.977 -2.867 224 HA ILE 33 HA ILE 33 -3.361 -0.991 -4.148 225 HB ILE 33 HB ILE 33 -4.422 -3.038 -5.287 226 1HG1 ILE 33 2HG1 ILE 33 -1.828 -4.417 -5.258 227 2HG1 ILE 33 1HG1 ILE 33 -2.621 -4.401 -3.683 228 1HG2 ILE 33 1HG2 ILE 33 -3.309 -1.648 -6.781 229 2HG2 ILE 33 2HG2 ILE 33 -2.358 -3.124 -6.947 230 3HG2 ILE 33 3HG2 ILE 33 -1.767 -1.805 -5.938 231 1HD1 ILE 33 1HD1 ILE 33 -3.899 -5.304 -6.281 232 2HD1 ILE 33 2HD1 ILE 33 -4.678 -5.301 -4.698 233 3HD1 ILE 33 3HD1 ILE 33 -3.310 -6.371 -5.006 234 H ILE 34 H ILE 34 -5.479 -1.041 -3.300 235 HA ILE 34 HA ILE 34 -5.795 -2.599 -0.775 236 HB ILE 34 HB ILE 34 -7.274 -0.218 -1.947 237 1HG1 ILE 34 2HG1 ILE 34 -5.803 0.333 0.456 238 2HG1 ILE 34 1HG1 ILE 34 -4.717 -0.434 -0.703 239 1HG2 ILE 34 1HG2 ILE 34 -8.561 -0.147 -0.032 240 2HG2 ILE 34 2HG2 ILE 34 -7.329 -0.935 0.953 241 3HG2 ILE 34 3HG2 ILE 34 -8.324 -1.891 -0.146 242 1HD1 ILE 34 1HD1 ILE 34 -6.453 1.999 -1.218 243 2HD1 ILE 34 2HD1 ILE 34 -5.448 1.202 -2.429 244 3HD1 ILE 34 3HD1 ILE 34 -4.698 1.989 -1.040 245 H ILE 35 H ILE 35 -7.460 -4.112 -0.578 246 HA ILE 35 HA ILE 35 -9.352 -4.378 -2.890 247 HB ILE 35 HB ILE 35 -9.020 -6.949 -2.065 248 1HG1 ILE 35 2HG1 ILE 35 -6.568 -7.303 -1.736 249 2HG1 ILE 35 1HG1 ILE 35 -6.356 -5.556 -1.623 250 1HG2 ILE 35 1HG2 ILE 35 -8.048 -5.253 -4.214 251 2HG2 ILE 35 2HG2 ILE 35 -8.602 -6.925 -4.275 252 3HG2 ILE 35 3HG2 ILE 35 -6.921 -6.567 -3.877 253 1HD1 ILE 35 1HD1 ILE 35 -7.798 -7.400 0.278 254 2HD1 ILE 35 2HD1 ILE 35 -8.147 -5.672 0.249 255 3HD1 ILE 35 3HD1 ILE 35 -6.521 -6.236 0.629 256 HA PRO 36 HA PRO 36 -12.528 -4.862 0.084 257 1HB PRO 36 2HB PRO 36 -14.093 -6.830 -0.984 258 2HB PRO 36 1HB PRO 36 -13.988 -5.200 -1.676 259 1HG PRO 36 2HG PRO 36 -12.717 -7.721 -2.581 260 2HG PRO 36 1HG PRO 36 -13.328 -6.358 -3.529 261 1HD PRO 36 2HD PRO 36 -10.664 -6.825 -2.969 262 2HD PRO 36 1HD PRO 36 -11.348 -5.251 -3.431 263 H GLY 37 H GLY 37 -10.158 -7.140 -0.118 264 1HA GLY 37 2HA GLY 37 -11.482 -9.080 1.701 265 2HA GLY 37 1HA GLY 37 -9.949 -9.344 0.870 266 H ALA 38 H ALA 38 -8.684 -9.738 2.675 267 HA ALA 38 HA ALA 38 -7.805 -7.407 4.202 268 1HB ALA 38 1HB ALA 38 -10.074 -8.357 5.114 269 2HB ALA 38 2HB ALA 38 -8.799 -7.912 6.251 270 3HB ALA 38 3HB ALA 38 -9.046 -9.605 5.820 271 H THR 39 H THR 39 -6.928 -10.082 2.709 272 HA THR 39 HA THR 39 -4.778 -10.701 4.678 273 HB THR 39 HB THR 39 -6.843 -12.340 4.172 274 HG1 THR 39 1HG THR 39 -5.502 -13.105 5.619 275 1HG2 THR 39 1HG2 THR 39 -6.249 -14.023 2.529 276 2HG2 THR 39 2HG2 THR 39 -4.732 -13.195 2.181 277 3HG2 THR 39 3HG2 THR 39 -6.266 -12.443 1.744 278 H CYS 40 H CYS 40 -5.375 -9.347 1.838 279 HA CYS 40 HA CYS 40 -4.089 -8.902 -0.098 280 1HB CYS 40 2HB CYS 40 -2.080 -9.719 2.013 281 2HB CYS 40 1HB CYS 40 -1.595 -9.087 0.441 282 HA PRO 41 HA PRO 41 -3.372 -12.662 -2.250 283 1HB PRO 41 2HB PRO 41 -1.465 -11.937 -4.072 284 2HB PRO 41 1HB PRO 41 -3.152 -11.395 -4.176 285 1HG PRO 41 2HG PRO 41 -0.753 -9.940 -3.193 286 2HG PRO 41 1HG PRO 41 -2.137 -9.340 -4.118 287 1HD PRO 41 2HD PRO 41 -1.816 -8.970 -1.421 288 2HD PRO 41 1HD PRO 41 -3.391 -8.977 -2.245 289 H GLY 42 H GLY 42 -0.933 -13.587 -3.397 290 1HA GLY 42 2HA GLY 42 0.569 -14.256 -0.919 291 2HA GLY 42 1HA GLY 42 0.612 -15.182 -2.418 292 H ASP 43 H ASP 43 0.832 -12.421 -3.826 293 HA ASP 43 HA ASP 43 3.799 -12.330 -3.668 294 1HB ASP 43 2HB ASP 43 3.452 -10.949 -5.769 295 2HB ASP 43 1HB ASP 43 2.821 -12.593 -5.861 296 H TYR 44 H TYR 44 0.987 -10.488 -2.787 297 HA TYR 44 HA TYR 44 2.761 -8.193 -2.011 298 1HB TYR 44 2HB TYR 44 -0.203 -8.015 -2.569 299 2HB TYR 44 1HB TYR 44 1.000 -6.729 -2.624 300 HD1 TYR 44 1HD TYR 44 -1.083 -7.926 -4.780 301 HD2 TYR 44 2HD TYR 44 3.161 -8.173 -4.161 302 HE1 TYR 44 1HE TYR 44 -0.753 -8.345 -7.202 303 HE2 TYR 44 2HE TYR 44 3.490 -8.591 -6.582 304 HH TYR 44 HH TYR 44 1.318 -7.939 -8.875 305 H ALA 45 H ALA 45 1.892 -10.697 -0.526 306 HA ALA 45 HA ALA 45 0.018 -9.720 1.525 307 1HB ALA 45 1HB ALA 45 1.041 -12.196 0.504 308 2HB ALA 45 2HB ALA 45 -0.296 -11.952 1.630 309 3HB ALA 45 3HB ALA 45 1.348 -12.144 2.240 310 H ASN 46 H ASN 46 2.666 -8.335 1.190 311 HA ASN 46 HA ASN 46 3.923 -8.987 3.824 312 1HB ASN 46 2HB ASN 46 5.007 -8.817 1.326 313 2HB ASN 46 1HB ASN 46 5.247 -7.165 1.897 314 1HD2 ASN 46 1HD2 ASN 46 5.350 -8.256 4.774 315 2HD2 ASN 46 2HD2 ASN 46 6.917 -8.891 4.917 Start of MODEL 10 1 1H THR 1 1HT THR 1 -9.232 -3.431 4.607 2 2H THR 1 2HT THR 1 -9.133 -3.990 3.005 3 3H THR 1 3HT THR 1 -8.467 -2.485 3.426 4 HA THR 1 HA THR 1 -7.067 -3.945 5.091 5 HB THR 1 HB THR 1 -8.049 -5.756 2.869 6 HG1 THR 1 1HG THR 1 -7.898 -6.425 5.571 7 1HG2 THR 1 1HG2 THR 1 -6.395 -7.364 3.511 8 2HG2 THR 1 2HG2 THR 1 -5.889 -6.387 4.889 9 3HG2 THR 1 3HG2 THR 1 -5.537 -5.846 3.249 10 H THR 2 H THR 2 -4.853 -3.799 4.524 11 HA THR 2 HA THR 2 -4.314 -2.611 1.826 12 HB THR 2 HB THR 2 -2.867 -2.393 4.487 13 HG1 THR 2 1HG THR 2 -4.046 -0.241 3.182 14 1HG2 THR 2 1HG2 THR 2 -1.352 -0.920 3.463 15 2HG2 THR 2 2HG2 THR 2 -2.397 -0.671 2.064 16 3HG2 THR 2 3HG2 THR 2 -1.536 -2.198 2.262 17 H CYS 3 H CYS 3 -2.480 -3.394 0.657 18 HA CYS 3 HA CYS 3 -0.889 -5.624 1.783 19 1HB CYS 3 2HB CYS 3 -3.176 -5.876 -0.068 20 2HB CYS 3 1HB CYS 3 -1.725 -6.731 -0.592 21 H CYS 4 H CYS 4 1.104 -4.661 1.275 22 HA CYS 4 HA CYS 4 1.471 -3.503 -1.444 23 1HB CYS 4 2HB CYS 4 3.313 -3.533 0.963 24 2HB CYS 4 1HB CYS 4 3.439 -2.487 -0.450 25 HA PRO 5 HA PRO 5 3.672 -7.027 -2.864 26 1HB PRO 5 2HB PRO 5 5.375 -5.843 -4.649 27 2HB PRO 5 1HB PRO 5 3.641 -6.064 -4.959 28 1HG PRO 5 2HG PRO 5 5.099 -3.637 -4.016 29 2HG PRO 5 1HG PRO 5 3.792 -3.775 -5.205 30 1HD PRO 5 2HD PRO 5 3.356 -2.951 -2.670 31 2HD PRO 5 1HD PRO 5 2.153 -3.880 -3.594 32 H SER 6 H SER 6 5.135 -4.656 -0.938 33 HA SER 6 HA SER 6 7.273 -6.438 -0.144 34 1HB SER 6 2HB SER 6 8.884 -4.413 -1.099 35 2HB SER 6 1HB SER 6 8.616 -5.954 -1.910 36 HG SER 6 HG SER 6 7.129 -3.554 -2.257 37 H ILE 7 H ILE 7 8.940 -5.130 1.231 38 HA ILE 7 HA ILE 7 7.529 -3.669 3.268 39 HB ILE 7 HB ILE 7 10.504 -3.733 2.690 40 1HG1 ILE 7 2HG1 ILE 7 9.786 -5.779 4.504 41 2HG1 ILE 7 1HG1 ILE 7 8.680 -5.924 3.139 42 1HG2 ILE 7 1HG2 ILE 7 10.732 -3.537 5.083 43 2HG2 ILE 7 2HG2 ILE 7 8.998 -3.755 5.318 44 3HG2 ILE 7 3HG2 ILE 7 9.606 -2.285 4.558 45 1HD1 ILE 7 1HD1 ILE 7 10.482 -6.121 1.579 46 2HD1 ILE 7 2HD1 ILE 7 10.884 -7.195 2.919 47 3HD1 ILE 7 3HD1 ILE 7 11.669 -5.622 2.786 48 H VAL 8 H VAL 8 9.527 -2.710 0.508 49 HA VAL 8 HA VAL 8 9.743 0.084 1.193 50 HB VAL 8 HB VAL 8 9.741 -1.104 -1.588 51 1HG1 VAL 8 1HG1 VAL 8 10.351 1.424 -0.507 52 2HG1 VAL 8 2HG1 VAL 8 10.698 0.860 -2.142 53 3HG1 VAL 8 3HG1 VAL 8 11.907 0.680 -0.871 54 1HG2 VAL 8 1HG2 VAL 8 11.164 -2.660 -0.650 55 2HG2 VAL 8 2HG2 VAL 8 11.582 -1.613 0.707 56 3HG2 VAL 8 3HG2 VAL 8 12.320 -1.348 -0.873 57 H ALA 9 H ALA 9 7.544 -1.693 -1.015 58 HA ALA 9 HA ALA 9 5.993 0.517 -1.899 59 1HB ALA 9 1HB ALA 9 4.344 -1.227 -2.435 60 2HB ALA 9 2HB ALA 9 5.133 -2.338 -1.316 61 3HB ALA 9 3HB ALA 9 5.967 -1.824 -2.782 62 H ARG 10 H ARG 10 5.832 -1.416 1.054 63 HA ARG 10 HA ARG 10 3.337 -0.233 1.986 64 1HB ARG 10 2HB ARG 10 3.526 -2.176 3.127 65 2HB ARG 10 1HB ARG 10 5.190 -2.360 2.601 66 1HG ARG 10 2HG ARG 10 5.775 -0.694 4.492 67 2HG ARG 10 1HG ARG 10 4.152 -1.028 5.104 68 1HD ARG 10 2HD ARG 10 6.019 -3.296 4.403 69 2HD ARG 10 1HD ARG 10 6.097 -2.508 5.990 70 HE ARG 10 HE ARG 10 3.502 -3.556 4.933 71 1HH1 ARG 10 1HH2 ARG 10 5.739 -5.120 6.585 72 2HH1 ARG 10 2HH2 ARG 10 4.940 -5.170 8.120 73 1HH2 ARG 10 1HH1 ARG 10 2.544 -2.822 7.245 74 2HH2 ARG 10 2HH1 ARG 10 3.132 -3.868 8.494 75 H SER 11 H SER 11 6.801 0.184 2.699 76 HA SER 11 HA SER 11 6.597 2.108 4.778 77 1HB SER 11 2HB SER 11 8.899 2.442 4.328 78 2HB SER 11 1HB SER 11 8.600 0.804 3.756 79 HG SER 11 HG SER 11 8.854 3.201 2.280 80 H ASN 12 H ASN 12 6.928 2.629 1.245 81 HA ASN 12 HA ASN 12 6.688 5.498 1.367 82 1HB ASN 12 2HB ASN 12 5.841 3.753 -0.949 83 2HB ASN 12 1HB ASN 12 6.628 5.330 -0.999 84 1HD2 ASN 12 1HD2 ASN 12 7.411 2.456 -1.983 85 2HD2 ASN 12 2HD2 ASN 12 9.007 2.291 -1.437 86 H PHE 13 H PHE 13 4.337 2.974 0.413 87 HA PHE 13 HA PHE 13 2.040 4.410 -0.057 88 1HB PHE 13 2HB PHE 13 1.985 2.049 -0.200 89 2HB PHE 13 1HB PHE 13 2.599 1.851 1.441 90 HD1 PHE 13 1HD PHE 13 1.083 1.296 3.115 91 HD2 PHE 13 2HD PHE 13 -0.303 3.421 -0.347 92 HE1 PHE 13 1HE PHE 13 -1.242 1.177 3.973 93 HE2 PHE 13 2HE PHE 13 -2.627 3.302 0.507 94 HZ PHE 13 HZ PHE 13 -3.097 2.181 2.671 95 H ASN 14 H ASN 14 3.291 3.523 3.165 96 HA ASN 14 HA ASN 14 1.204 4.976 4.599 97 1HB ASN 14 2HB ASN 14 3.751 3.500 5.204 98 2HB ASN 14 1HB ASN 14 3.039 4.514 6.461 99 1HD2 ASN 14 1HD2 ASN 14 2.790 1.459 4.845 100 2HD2 ASN 14 2HD2 ASN 14 1.358 0.939 5.593 101 H VAL 15 H VAL 15 4.412 5.630 3.378 102 HA VAL 15 HA VAL 15 4.869 8.069 4.887 103 HB VAL 15 HB VAL 15 6.176 6.303 3.019 104 1HG1 VAL 15 1HG1 VAL 15 7.474 7.922 1.715 105 2HG1 VAL 15 2HG1 VAL 15 6.540 9.250 2.404 106 3HG1 VAL 15 3HG1 VAL 15 5.757 8.080 1.341 107 1HG2 VAL 15 1HG2 VAL 15 8.188 7.299 4.029 108 2HG2 VAL 15 2HG2 VAL 15 6.978 6.934 5.259 109 3HG2 VAL 15 3HG2 VAL 15 7.205 8.594 4.710 110 H CYS 16 H CYS 16 3.239 7.227 1.908 111 HA CYS 16 HA CYS 16 3.126 9.978 0.894 112 1HB CYS 16 2HB CYS 16 3.147 8.397 -0.802 113 2HB CYS 16 1HB CYS 16 2.229 7.226 0.138 114 H ARG 17 H ARG 17 1.169 7.891 2.913 115 HA ARG 17 HA ARG 17 -1.247 9.554 2.696 116 1HB ARG 17 2HB ARG 17 -1.480 7.168 2.986 117 2HB ARG 17 1HB ARG 17 -0.375 7.173 4.361 118 1HG ARG 17 2HG ARG 17 -2.743 7.036 5.088 119 2HG ARG 17 1HG ARG 17 -1.965 8.511 5.664 120 1HD ARG 17 2HD ARG 17 -2.936 9.736 3.700 121 2HD ARG 17 1HD ARG 17 -3.821 8.258 3.272 122 HE ARG 17 HE ARG 17 -4.112 9.459 5.996 123 1HH1 ARG 17 1HH1 ARG 17 -5.685 10.147 3.280 124 2HH1 ARG 17 2HH1 ARG 17 -7.194 9.391 3.670 125 1HH2 ARG 17 1HH2 ARG 17 -5.928 7.673 6.403 126 2HH2 ARG 17 2HH2 ARG 17 -7.333 7.992 5.440 127 H LEU 18 H LEU 18 1.694 9.870 4.227 128 HA LEU 18 HA LEU 18 0.944 10.760 6.857 129 1HB LEU 18 2HB LEU 18 3.237 10.307 5.213 130 2HB LEU 18 1HB LEU 18 3.362 11.929 5.885 131 HG LEU 18 HG LEU 18 2.968 9.344 7.406 132 1HD1 LEU 18 1HD1 LEU 18 5.166 9.511 7.984 133 2HD1 LEU 18 2HD1 LEU 18 5.092 11.267 8.129 134 3HD1 LEU 18 3HD1 LEU 18 5.283 10.521 6.543 135 1HD2 LEU 18 1HD2 LEU 18 1.669 10.774 8.690 136 2HD2 LEU 18 2HD2 LEU 18 2.554 12.210 8.171 137 3HD2 LEU 18 3HD2 LEU 18 3.261 11.122 9.366 138 HA PRO 19 HA PRO 19 1.359 15.109 4.870 139 1HB PRO 19 2HB PRO 19 1.199 15.265 2.140 140 2HB PRO 19 1HB PRO 19 2.733 15.122 3.020 141 1HG PRO 19 2HG PRO 19 1.159 13.027 1.611 142 2HG PRO 19 1HG PRO 19 2.912 13.258 1.692 143 1HD PRO 19 2HD PRO 19 1.589 11.409 3.165 144 2HD PRO 19 1HD PRO 19 3.095 12.178 3.706 145 H GLY 20 H GLY 20 -0.418 13.878 2.072 146 1HA GLY 20 2HA GLY 20 -2.996 14.098 3.427 147 2HA GLY 20 1HA GLY 20 -2.680 15.415 2.296 148 H THR 21 H THR 21 -1.512 12.121 1.801 149 HA THR 21 HA THR 21 -3.117 12.030 -0.676 150 HB THR 21 HB THR 21 -0.992 10.097 0.198 151 HG1 THR 21 1HG THR 21 0.538 11.480 -0.588 152 1HG2 THR 21 1HG2 THR 21 -0.644 10.262 -2.392 153 2HG2 THR 21 2HG2 THR 21 -2.247 10.991 -2.384 154 3HG2 THR 21 3HG2 THR 21 -2.021 9.355 -1.766 155 HA PRO 22 HA PRO 22 -5.667 8.960 1.213 156 1HB PRO 22 2HB PRO 22 -6.908 8.162 -1.094 157 2HB PRO 22 1HB PRO 22 -7.318 9.666 -0.250 158 1HG PRO 22 2HG PRO 22 -5.632 9.255 -2.668 159 2HG PRO 22 1HG PRO 22 -6.765 10.564 -2.293 160 1HD PRO 22 2HD PRO 22 -4.041 10.799 -2.035 161 2HD PRO 22 1HD PRO 22 -5.201 11.741 -1.089 162 H GLU 23 H GLU 23 -4.896 6.990 1.710 163 HA GLU 23 HA GLU 23 -2.754 5.568 0.924 164 1HB GLU 23 2HB GLU 23 -5.549 4.693 1.622 165 2HB GLU 23 1HB GLU 23 -4.296 3.487 1.327 166 1HG GLU 23 2HG GLU 23 -2.859 4.694 3.015 167 2HG GLU 23 1HG GLU 23 -4.260 5.691 3.405 168 H ALA 24 H ALA 24 -5.712 5.802 -0.988 169 HA ALA 24 HA ALA 24 -5.306 3.737 -2.875 170 1HB ALA 24 1HB ALA 24 -6.976 5.978 -2.449 171 2HB ALA 24 2HB ALA 24 -7.196 4.709 -3.653 172 3HB ALA 24 3HB ALA 24 -6.314 6.178 -4.070 173 H LEU 25 H LEU 25 -4.254 7.174 -3.097 174 HA LEU 25 HA LEU 25 -2.728 6.761 -5.520 175 1HB LEU 25 2HB LEU 25 -3.718 8.868 -4.074 176 2HB LEU 25 1HB LEU 25 -1.996 8.969 -3.703 177 HG LEU 25 HG LEU 25 -2.587 8.447 -6.538 178 1HD1 LEU 25 1HD1 LEU 25 -4.382 9.938 -6.394 179 2HD1 LEU 25 2HD1 LEU 25 -3.040 11.019 -6.771 180 3HD1 LEU 25 3HD1 LEU 25 -3.622 10.881 -5.112 181 1HD2 LEU 25 1HD2 LEU 25 -0.556 9.605 -4.873 182 2HD2 LEU 25 2HD2 LEU 25 -1.059 10.808 -6.062 183 3HD2 LEU 25 3HD2 LEU 25 -0.475 9.231 -6.596 184 H CYS 26 H CYS 26 -2.001 6.449 -2.093 185 HA CYS 26 HA CYS 26 0.881 6.557 -2.339 186 1HB CYS 26 2HB CYS 26 -0.911 5.273 -0.252 187 2HB CYS 26 1HB CYS 26 0.777 5.723 -0.033 188 H ALA 27 H ALA 27 -1.505 4.033 -2.819 189 HA ALA 27 HA ALA 27 0.636 1.980 -2.936 190 1HB ALA 27 1HB ALA 27 -0.997 0.593 -2.181 191 2HB ALA 27 2HB ALA 27 -2.093 1.110 -3.462 192 3HB ALA 27 3HB ALA 27 -1.984 2.038 -1.966 193 H THR 28 H THR 28 -1.297 3.952 -4.846 194 HA THR 28 HA THR 28 -1.219 2.331 -7.285 195 HB THR 28 HB THR 28 -2.232 4.984 -6.344 196 HG1 THR 28 1HG THR 28 -3.574 3.407 -8.171 197 1HG2 THR 28 1HG2 THR 28 -1.746 4.310 -9.255 198 2HG2 THR 28 2HG2 THR 28 -1.050 5.657 -8.355 199 3HG2 THR 28 3HG2 THR 28 -2.781 5.624 -8.695 200 H TYR 29 H TYR 29 0.653 4.882 -5.754 201 HA TYR 29 HA TYR 29 2.328 5.272 -8.170 202 1HB TYR 29 2HB TYR 29 1.627 7.214 -6.862 203 2HB TYR 29 1HB TYR 29 2.296 6.499 -5.394 204 HD1 TYR 29 1HD TYR 29 3.612 6.745 -8.891 205 HD2 TYR 29 2HD TYR 29 4.184 7.725 -4.750 206 HE1 TYR 29 1HE TYR 29 5.834 7.705 -9.428 207 HE2 TYR 29 2HE TYR 29 6.407 8.686 -5.285 208 HH TYR 29 HH TYR 29 7.465 9.148 -8.578 209 H THR 30 H THR 30 2.533 3.953 -4.869 210 HA THR 30 HA THR 30 5.366 3.228 -5.243 211 HB THR 30 HB THR 30 4.055 4.075 -3.121 212 HG1 THR 30 1HG THR 30 6.105 2.223 -3.403 213 1HG2 THR 30 1HG2 THR 30 2.473 2.044 -3.386 214 2HG2 THR 30 2HG2 THR 30 3.063 2.435 -1.770 215 3HG2 THR 30 3HG2 THR 30 3.794 1.113 -2.680 216 H GLY 31 H GLY 31 2.350 1.866 -5.992 217 1HA GLY 31 2HA GLY 31 2.277 -0.208 -7.284 218 2HA GLY 31 1HA GLY 31 3.652 -0.792 -6.350 219 H CYS 32 H CYS 32 2.697 -0.124 -3.745 220 HA CYS 32 HA CYS 32 1.359 -2.379 -2.894 221 1HB CYS 32 2HB CYS 32 2.307 -0.568 -1.476 222 2HB CYS 32 1HB CYS 32 0.929 0.451 -1.890 223 H ILE 33 H ILE 33 -0.928 -2.786 -2.332 224 HA ILE 33 HA ILE 33 -2.897 -1.140 -3.854 225 HB ILE 33 HB ILE 33 -3.816 -3.284 -4.782 226 1HG1 ILE 33 2HG1 ILE 33 -1.783 -5.077 -4.714 227 2HG1 ILE 33 1HG1 ILE 33 -1.580 -4.333 -3.129 228 1HG2 ILE 33 1HG2 ILE 33 -2.160 -1.785 -5.997 229 2HG2 ILE 33 2HG2 ILE 33 -2.184 -3.463 -6.537 230 3HG2 ILE 33 3HG2 ILE 33 -0.894 -2.898 -5.478 231 1HD1 ILE 33 1HD1 ILE 33 -3.262 -6.383 -3.524 232 2HD1 ILE 33 2HD1 ILE 33 -4.353 -5.064 -3.942 233 3HD1 ILE 33 3HD1 ILE 33 -3.601 -5.113 -2.348 234 H ILE 34 H ILE 34 -4.944 -1.136 -2.935 235 HA ILE 34 HA ILE 34 -5.209 -2.461 -0.277 236 HB ILE 34 HB ILE 34 -6.644 -0.165 -1.649 237 1HG1 ILE 34 2HG1 ILE 34 -5.288 0.513 0.781 238 2HG1 ILE 34 1HG1 ILE 34 -4.161 -0.350 -0.260 239 1HG2 ILE 34 1HG2 ILE 34 -6.853 -0.862 1.274 240 2HG2 ILE 34 2HG2 ILE 34 -7.924 -1.622 0.095 241 3HG2 ILE 34 3HG2 ILE 34 -7.931 0.131 0.292 242 1HD1 ILE 34 1HD1 ILE 34 -4.783 2.336 -0.465 243 2HD1 ILE 34 2HD1 ILE 34 -5.797 1.605 -1.709 244 3HD1 ILE 34 3HD1 ILE 34 -4.050 1.360 -1.738 245 H ILE 35 H ILE 35 -6.944 -3.897 0.087 246 HA ILE 35 HA ILE 35 -8.951 -4.245 -2.083 247 HB ILE 35 HB ILE 35 -8.427 -6.778 -1.857 248 1HG1 ILE 35 2HG1 ILE 35 -5.910 -7.067 -1.350 249 2HG1 ILE 35 1HG1 ILE 35 -6.016 -5.508 -0.540 250 1HG2 ILE 35 1HG2 ILE 35 -6.172 -5.205 -3.077 251 2HG2 ILE 35 2HG2 ILE 35 -7.801 -5.078 -3.739 252 3HG2 ILE 35 3HG2 ILE 35 -6.985 -6.641 -3.699 253 1HD1 ILE 35 1HD1 ILE 35 -6.978 -6.447 1.265 254 2HD1 ILE 35 2HD1 ILE 35 -6.677 -8.024 0.536 255 3HD1 ILE 35 3HD1 ILE 35 -8.216 -7.206 0.265 256 HA PRO 36 HA PRO 36 -11.426 -4.800 1.541 257 1HB PRO 36 2HB PRO 36 -13.769 -5.377 0.259 258 2HB PRO 36 1HB PRO 36 -13.103 -3.736 0.348 259 1HG PRO 36 2HG PRO 36 -13.082 -5.665 -1.902 260 2HG PRO 36 1HG PRO 36 -13.194 -3.900 -1.925 261 1HD PRO 36 2HD PRO 36 -10.904 -5.355 -2.466 262 2HD PRO 36 1HD PRO 36 -10.939 -3.645 -1.985 263 H GLY 37 H GLY 37 -9.880 -6.944 1.451 264 1HA GLY 37 2HA GLY 37 -11.548 -9.153 2.142 265 2HA GLY 37 1HA GLY 37 -10.899 -9.408 0.523 266 H ALA 38 H ALA 38 -10.356 -10.559 3.322 267 HA ALA 38 HA ALA 38 -7.514 -9.958 3.773 268 1HB ALA 38 1HB ALA 38 -9.766 -11.296 5.070 269 2HB ALA 38 2HB ALA 38 -8.358 -10.523 5.797 270 3HB ALA 38 3HB ALA 38 -8.260 -12.197 5.251 271 H THR 39 H THR 39 -8.781 -11.489 1.296 272 HA THR 39 HA THR 39 -7.399 -14.075 1.430 273 HB THR 39 HB THR 39 -9.633 -13.179 0.245 274 HG1 THR 39 1HG THR 39 -8.250 -15.083 -1.225 275 1HG2 THR 39 1HG2 THR 39 -7.659 -13.240 -2.035 276 2HG2 THR 39 2HG2 THR 39 -8.190 -11.738 -1.279 277 3HG2 THR 39 3HG2 THR 39 -9.361 -12.781 -2.087 278 H CYS 40 H CYS 40 -6.151 -11.199 1.240 279 HA CYS 40 HA CYS 40 -4.678 -10.596 -0.963 280 1HB CYS 40 2HB CYS 40 -4.190 -10.642 1.952 281 2HB CYS 40 1HB CYS 40 -2.734 -10.506 0.966 282 HA PRO 41 HA PRO 41 -2.498 -14.261 -2.117 283 1HB PRO 41 2HB PRO 41 -0.691 -13.110 -3.817 284 2HB PRO 41 1HB PRO 41 -2.399 -13.346 -4.239 285 1HG PRO 41 2HG PRO 41 -1.005 -10.886 -3.302 286 2HG PRO 41 1HG PRO 41 -2.262 -11.069 -4.535 287 1HD PRO 41 2HD PRO 41 -2.762 -10.174 -2.014 288 2HD PRO 41 1HD PRO 41 -3.959 -11.047 -2.996 289 H GLY 42 H GLY 42 0.119 -14.636 -2.555 290 1HA GLY 42 2HA GLY 42 1.344 -13.993 0.062 291 2HA GLY 42 1HA GLY 42 1.939 -15.193 -1.086 292 H ASP 43 H ASP 43 1.212 -12.546 -2.910 293 HA ASP 43 HA ASP 43 4.047 -11.592 -2.794 294 1HB ASP 43 2HB ASP 43 2.191 -12.368 -4.863 295 2HB ASP 43 1HB ASP 43 2.686 -10.694 -5.118 296 H TYR 44 H TYR 44 0.873 -10.710 -1.992 297 HA TYR 44 HA TYR 44 1.589 -7.795 -2.066 298 1HB TYR 44 2HB TYR 44 -1.081 -9.227 -2.251 299 2HB TYR 44 1HB TYR 44 -0.889 -7.475 -2.218 300 HD1 TYR 44 1HD TYR 44 -2.149 -9.162 -4.464 301 HD2 TYR 44 2HD TYR 44 1.825 -7.650 -3.861 302 HE1 TYR 44 1HE TYR 44 -1.777 -9.153 -6.915 303 HE2 TYR 44 2HE TYR 44 2.197 -7.643 -6.308 304 HH TYR 44 HH TYR 44 -0.416 -8.297 -8.562 305 H ALA 45 H ALA 45 1.455 -10.332 -0.006 306 HA ALA 45 HA ALA 45 -0.056 -9.069 2.189 307 1HB ALA 45 1HB ALA 45 1.750 -11.432 2.520 308 2HB ALA 45 2HB ALA 45 0.345 -11.607 1.470 309 3HB ALA 45 3HB ALA 45 0.131 -11.167 3.164 310 H ASN 46 H ASN 46 2.386 -7.695 1.096 311 HA ASN 46 HA ASN 46 4.108 -7.773 3.552 312 1HB ASN 46 2HB ASN 46 4.747 -8.230 0.915 313 2HB ASN 46 1HB ASN 46 5.137 -6.517 1.088 314 1HD2 ASN 46 1HD2 ASN 46 6.291 -9.684 1.703 315 2HD2 ASN 46 2HD2 ASN 46 7.580 -9.265 2.725 Start of MODEL 11 1 1H THR 1 1HT THR 1 -8.386 -1.269 2.770 2 2H THR 1 2HT THR 1 -8.886 -1.650 4.348 3 3H THR 1 3HT THR 1 -9.231 -2.710 3.066 4 HA THR 1 HA THR 1 -6.807 -2.430 4.624 5 HB THR 1 HB THR 1 -8.227 -4.492 2.919 6 HG1 THR 1 1HG THR 1 -7.940 -3.934 5.655 7 1HG2 THR 1 1HG2 THR 1 -5.781 -4.928 4.651 8 2HG2 THR 1 2HG2 THR 1 -5.725 -4.792 2.894 9 3HG2 THR 1 3HG2 THR 1 -6.599 -6.125 3.647 10 H THR 2 H THR 2 -4.707 -3.058 3.608 11 HA THR 2 HA THR 2 -4.524 -2.360 0.702 12 HB THR 2 HB THR 2 -2.422 -1.421 2.605 13 HG1 THR 2 1HG THR 2 -4.750 0.102 2.225 14 1HG2 THR 2 1HG2 THR 2 -3.684 -0.537 0.027 15 2HG2 THR 2 2HG2 THR 2 -1.981 -0.820 0.392 16 3HG2 THR 2 3HG2 THR 2 -2.789 0.621 1.010 17 H CYS 3 H CYS 3 -2.110 -2.860 -0.006 18 HA CYS 3 HA CYS 3 -0.899 -5.118 1.478 19 1HB CYS 3 2HB CYS 3 -2.327 -5.294 -1.176 20 2HB CYS 3 1HB CYS 3 -1.075 -6.456 -0.741 21 H CYS 4 H CYS 4 1.289 -5.377 0.943 22 HA CYS 4 HA CYS 4 2.381 -3.891 -1.391 23 1HB CYS 4 2HB CYS 4 2.874 -3.416 1.537 24 2HB CYS 4 1HB CYS 4 4.164 -3.091 0.379 25 HA PRO 5 HA PRO 5 4.731 -7.590 -1.700 26 1HB PRO 5 2HB PRO 5 6.798 -6.624 -3.226 27 2HB PRO 5 1HB PRO 5 5.181 -6.980 -3.871 28 1HG PRO 5 2HG PRO 5 6.336 -4.360 -3.013 29 2HG PRO 5 1HG PRO 5 5.379 -4.749 -4.454 30 1HD PRO 5 2HD PRO 5 4.263 -3.577 -2.319 31 2HD PRO 5 1HD PRO 5 3.380 -4.778 -3.285 32 H SER 6 H SER 6 5.869 -4.821 0.021 33 HA SER 6 HA SER 6 7.525 -6.335 1.768 34 1HB SER 6 2HB SER 6 9.750 -5.383 0.746 35 2HB SER 6 1HB SER 6 9.024 -6.820 0.036 36 HG SER 6 HG SER 6 8.610 -4.142 -0.827 37 H ILE 7 H ILE 7 9.461 -4.647 2.575 38 HA ILE 7 HA ILE 7 8.071 -2.496 3.872 39 HB ILE 7 HB ILE 7 11.042 -2.895 3.383 40 1HG1 ILE 7 2HG1 ILE 7 10.143 -4.951 4.281 41 2HG1 ILE 7 1HG1 ILE 7 10.922 -4.095 5.610 42 1HG2 ILE 7 1HG2 ILE 7 11.083 -1.812 5.721 43 2HG2 ILE 7 2HG2 ILE 7 9.416 -1.342 5.399 44 3HG2 ILE 7 3HG2 ILE 7 10.713 -0.758 4.357 45 1HD1 ILE 7 1HD1 ILE 7 8.744 -3.207 6.334 46 2HD1 ILE 7 2HD1 ILE 7 8.706 -4.968 6.281 47 3HD1 ILE 7 3HD1 ILE 7 7.954 -4.033 4.989 48 H VAL 8 H VAL 8 10.244 -2.606 1.045 49 HA VAL 8 HA VAL 8 10.549 0.151 0.552 50 HB VAL 8 HB VAL 8 10.203 -2.216 -1.318 51 1HG1 VAL 8 1HG1 VAL 8 11.412 0.511 -1.879 52 2HG1 VAL 8 2HG1 VAL 8 9.840 -0.033 -2.466 53 3HG1 VAL 8 3HG1 VAL 8 11.312 -0.838 -3.010 54 1HG2 VAL 8 1HG2 VAL 8 12.869 -1.243 -1.180 55 2HG2 VAL 8 2HG2 VAL 8 12.252 -2.777 -0.564 56 3HG2 VAL 8 3HG2 VAL 8 12.283 -1.355 0.480 57 H ALA 9 H ALA 9 8.055 -2.008 -0.869 58 HA ALA 9 HA ALA 9 6.478 0.085 -2.024 59 1HB ALA 9 1HB ALA 9 4.982 -2.240 -1.097 60 2HB ALA 9 2HB ALA 9 6.509 -2.715 -1.838 61 3HB ALA 9 3HB ALA 9 5.350 -1.747 -2.749 62 H ARG 10 H ARG 10 5.621 -1.916 0.818 63 HA ARG 10 HA ARG 10 3.562 -0.495 1.935 64 1HB ARG 10 2HB ARG 10 5.149 -2.548 2.618 65 2HB ARG 10 1HB ARG 10 5.798 -1.337 3.718 66 1HG ARG 10 2HG ARG 10 3.907 -1.297 4.987 67 2HG ARG 10 1HG ARG 10 2.848 -1.452 3.582 68 1HD ARG 10 2HD ARG 10 4.170 -3.892 3.635 69 2HD ARG 10 1HD ARG 10 3.882 -3.543 5.346 70 HE ARG 10 HE ARG 10 1.828 -4.071 3.355 71 1HH1 ARG 10 1HH2 ARG 10 2.582 -2.083 6.064 72 2HH1 ARG 10 2HH2 ARG 10 0.975 -2.120 6.708 73 1HH2 ARG 10 1HH1 ARG 10 -0.244 -4.262 4.274 74 2HH2 ARG 10 2HH1 ARG 10 -0.622 -3.349 5.696 75 H SER 11 H SER 11 7.036 0.212 2.478 76 HA SER 11 HA SER 11 6.831 2.406 4.204 77 1HB SER 11 2HB SER 11 8.921 1.333 3.464 78 2HB SER 11 1HB SER 11 8.680 1.962 1.836 79 HG SER 11 HG SER 11 8.523 4.076 3.150 80 H ASN 12 H ASN 12 7.112 2.669 0.634 81 HA ASN 12 HA ASN 12 6.551 5.413 0.375 82 1HB ASN 12 2HB ASN 12 5.571 3.201 -1.447 83 2HB ASN 12 1HB ASN 12 6.021 4.841 -1.912 84 1HD2 ASN 12 1HD2 ASN 12 7.192 1.955 -2.467 85 2HD2 ASN 12 2HD2 ASN 12 8.855 2.182 -2.226 86 H PHE 13 H PHE 13 4.143 2.792 -0.115 87 HA PHE 13 HA PHE 13 1.804 4.298 -0.211 88 1HB PHE 13 2HB PHE 13 1.579 1.993 -0.534 89 2HB PHE 13 1HB PHE 13 2.588 1.601 0.856 90 HD1 PHE 13 1HD PHE 13 1.088 0.095 1.973 91 HD2 PHE 13 2HD PHE 13 -0.205 4.045 0.886 92 HE1 PHE 13 1HE PHE 13 -0.937 -0.183 3.374 93 HE2 PHE 13 2HE PHE 13 -2.226 3.769 2.291 94 HZ PHE 13 HZ PHE 13 -2.597 1.654 3.533 95 H ASN 14 H ASN 14 3.592 3.249 2.684 96 HA ASN 14 HA ASN 14 1.729 4.505 4.555 97 1HB ASN 14 2HB ASN 14 4.329 3.042 4.581 98 2HB ASN 14 1HB ASN 14 3.994 4.077 5.970 99 1HD2 ASN 14 1HD2 ASN 14 3.041 1.120 4.323 100 2HD2 ASN 14 2HD2 ASN 14 1.908 0.616 5.482 101 H VAL 15 H VAL 15 4.416 5.511 2.651 102 HA VAL 15 HA VAL 15 5.092 7.857 4.278 103 HB VAL 15 HB VAL 15 6.172 6.252 2.159 104 1HG1 VAL 15 1HG1 VAL 15 6.293 9.213 1.530 105 2HG1 VAL 15 2HG1 VAL 15 5.259 8.073 0.670 106 3HG1 VAL 15 3HG1 VAL 15 7.012 7.895 0.604 107 1HG2 VAL 15 1HG2 VAL 15 7.817 6.662 3.638 108 2HG2 VAL 15 2HG2 VAL 15 7.017 8.117 4.234 109 3HG2 VAL 15 3HG2 VAL 15 8.042 8.198 2.801 110 H CYS 16 H CYS 16 3.050 7.051 1.544 111 HA CYS 16 HA CYS 16 2.572 9.842 0.774 112 1HB CYS 16 2HB CYS 16 2.498 8.300 -0.990 113 2HB CYS 16 1HB CYS 16 1.664 7.089 -0.021 114 H ARG 17 H ARG 17 1.233 7.552 3.010 115 HA ARG 17 HA ARG 17 -1.387 8.871 3.226 116 1HB ARG 17 2HB ARG 17 -0.261 6.372 3.780 117 2HB ARG 17 1HB ARG 17 -0.562 7.067 5.373 118 1HG ARG 17 2HG ARG 17 -2.892 7.473 4.809 119 2HG ARG 17 1HG ARG 17 -2.619 6.932 3.152 120 1HD ARG 17 2HD ARG 17 -2.863 4.758 3.745 121 2HD ARG 17 1HD ARG 17 -1.729 4.941 5.099 122 HE ARG 17 HE ARG 17 -4.527 5.969 5.330 123 1HH1 ARG 17 1HH1 ARG 17 -2.484 6.172 7.565 124 2HH1 ARG 17 2HH1 ARG 17 -2.933 4.831 8.563 125 1HH2 ARG 17 1HH2 ARG 17 -4.857 3.309 6.110 126 2HH2 ARG 17 2HH2 ARG 17 -4.277 3.209 7.739 127 H LEU 18 H LEU 18 1.730 9.512 4.321 128 HA LEU 18 HA LEU 18 1.354 10.336 7.018 129 1HB LEU 18 2HB LEU 18 3.310 10.297 4.936 130 2HB LEU 18 1HB LEU 18 3.295 11.909 5.637 131 HG LEU 18 HG LEU 18 3.703 9.278 7.064 132 1HD1 LEU 18 1HD1 LEU 18 5.368 11.804 6.832 133 2HD1 LEU 18 2HD1 LEU 18 5.700 10.270 6.031 134 3HD1 LEU 18 3HD1 LEU 18 5.804 10.388 7.787 135 1HD2 LEU 18 1HD2 LEU 18 2.610 10.233 8.809 136 2HD2 LEU 18 2HD2 LEU 18 2.596 11.817 8.034 137 3HD2 LEU 18 3HD2 LEU 18 4.014 11.294 8.942 138 HA PRO 19 HA PRO 19 0.605 14.716 5.206 139 1HB PRO 19 2HB PRO 19 -0.057 14.902 2.555 140 2HB PRO 19 1HB PRO 19 1.612 14.993 3.149 141 1HG PRO 19 2HG PRO 19 0.167 12.713 1.904 142 2HG PRO 19 1HG PRO 19 1.853 13.221 1.717 143 1HD PRO 19 2HD PRO 19 1.066 11.137 3.286 144 2HD PRO 19 1HD PRO 19 2.537 12.085 3.580 145 H GLY 20 H GLY 20 -1.262 11.977 4.027 146 1HA GLY 20 2HA GLY 20 -3.577 11.974 5.157 147 2HA GLY 20 1HA GLY 20 -3.761 13.570 4.430 148 H THR 21 H THR 21 -1.996 11.467 2.421 149 HA THR 21 HA THR 21 -3.983 11.467 0.381 150 HB THR 21 HB THR 21 -1.625 9.617 0.629 151 HG1 THR 21 1HG THR 21 -1.688 12.412 0.266 152 1HG2 THR 21 1HG2 THR 21 -2.829 9.278 -1.381 153 2HG2 THR 21 2HG2 THR 21 -1.478 10.313 -1.846 154 3HG2 THR 21 3HG2 THR 21 -3.077 11.008 -1.616 155 HA PRO 22 HA PRO 22 -6.072 7.794 1.580 156 1HB PRO 22 2HB PRO 22 -7.264 7.277 -0.829 157 2HB PRO 22 1HB PRO 22 -7.820 8.550 0.274 158 1HG PRO 22 2HG PRO 22 -6.211 8.769 -2.209 159 2HG PRO 22 1HG PRO 22 -7.415 9.882 -1.541 160 1HD PRO 22 2HD PRO 22 -4.678 10.231 -1.347 161 2HD PRO 22 1HD PRO 22 -5.860 10.978 -0.276 162 H GLU 23 H GLU 23 -5.057 5.896 1.754 163 HA GLU 23 HA GLU 23 -2.797 4.893 0.648 164 1HB GLU 23 2HB GLU 23 -3.773 2.642 1.081 165 2HB GLU 23 1HB GLU 23 -4.152 3.786 2.369 166 1HG GLU 23 2HG GLU 23 -6.336 4.253 1.166 167 2HG GLU 23 1HG GLU 23 -5.964 2.883 0.119 168 H ALA 24 H ALA 24 -5.876 5.106 -1.055 169 HA ALA 24 HA ALA 24 -5.420 3.279 -3.176 170 1HB ALA 24 1HB ALA 24 -7.562 4.335 -2.772 171 2HB ALA 24 2HB ALA 24 -7.018 4.841 -4.372 172 3HB ALA 24 3HB ALA 24 -6.866 5.939 -3.000 173 H LEU 25 H LEU 25 -4.667 6.800 -3.016 174 HA LEU 25 HA LEU 25 -3.260 6.745 -5.568 175 1HB LEU 25 2HB LEU 25 -4.341 8.589 -3.718 176 2HB LEU 25 1HB LEU 25 -2.623 8.959 -3.823 177 HG LEU 25 HG LEU 25 -3.622 8.407 -6.461 178 1HD1 LEU 25 1HD1 LEU 25 -5.775 9.127 -6.154 179 2HD1 LEU 25 2HD1 LEU 25 -5.023 10.718 -6.280 180 3HD1 LEU 25 3HD1 LEU 25 -5.373 10.031 -4.694 181 1HD2 LEU 25 1HD2 LEU 25 -1.711 9.754 -6.289 182 2HD2 LEU 25 2HD2 LEU 25 -2.393 10.723 -4.983 183 3HD2 LEU 25 3HD2 LEU 25 -2.969 10.940 -6.635 184 H CYS 26 H CYS 26 -2.417 6.041 -2.276 185 HA CYS 26 HA CYS 26 0.452 6.565 -2.565 186 1HB CYS 26 2HB CYS 26 -1.089 4.964 -0.500 187 2HB CYS 26 1HB CYS 26 0.519 5.654 -0.308 188 H ALA 27 H ALA 27 -1.714 3.805 -2.949 189 HA ALA 27 HA ALA 27 0.571 1.960 -3.218 190 1HB ALA 27 1HB ALA 27 -1.835 1.634 -2.116 191 2HB ALA 27 2HB ALA 27 -1.026 0.290 -2.924 192 3HB ALA 27 3HB ALA 27 -2.271 1.208 -3.772 193 H THR 28 H THR 28 -1.290 3.981 -5.104 194 HA THR 28 HA THR 28 -1.133 2.468 -7.611 195 HB THR 28 HB THR 28 -2.344 4.911 -6.505 196 HG1 THR 28 1HG THR 28 -3.668 3.320 -7.145 197 1HG2 THR 28 1HG2 THR 28 -2.551 5.911 -8.880 198 2HG2 THR 28 2HG2 THR 28 -1.109 4.968 -9.253 199 3HG2 THR 28 3HG2 THR 28 -1.053 6.203 -7.996 200 H TYR 29 H TYR 29 0.608 5.056 -5.949 201 HA TYR 29 HA TYR 29 2.392 5.619 -8.204 202 1HB TYR 29 2HB TYR 29 1.536 6.813 -5.809 203 2HB TYR 29 1HB TYR 29 3.246 6.473 -5.556 204 HD1 TYR 29 1HD TYR 29 4.166 8.649 -5.709 205 HD2 TYR 29 2HD TYR 29 1.588 7.185 -8.805 206 HE1 TYR 29 1HE TYR 29 4.774 10.595 -7.127 207 HE2 TYR 29 2HE TYR 29 2.189 9.126 -10.231 208 HH TYR 29 HH TYR 29 3.062 11.372 -10.004 209 H THR 30 H THR 30 2.611 3.928 -5.069 210 HA THR 30 HA THR 30 5.386 3.110 -5.569 211 HB THR 30 HB THR 30 4.234 3.717 -3.341 212 HG1 THR 30 1HG THR 30 5.526 1.220 -3.285 213 1HG2 THR 30 1HG2 THR 30 2.485 1.764 -4.062 214 2HG2 THR 30 2HG2 THR 30 2.746 2.296 -2.400 215 3HG2 THR 30 3HG2 THR 30 3.579 0.865 -3.009 216 H GLY 31 H GLY 31 2.399 1.982 -6.615 217 1HA GLY 31 2HA GLY 31 2.206 0.074 -8.086 218 2HA GLY 31 1HA GLY 31 3.619 -0.635 -7.308 219 H CYS 32 H CYS 32 2.558 -0.068 -4.581 220 HA CYS 32 HA CYS 32 1.367 -2.506 -3.931 221 1HB CYS 32 2HB CYS 32 1.240 0.274 -2.770 222 2HB CYS 32 1HB CYS 32 0.388 -1.056 -1.988 223 H ILE 33 H ILE 33 -1.035 -2.592 -2.975 224 HA ILE 33 HA ILE 33 -2.923 -1.195 -4.822 225 HB ILE 33 HB ILE 33 -4.013 -3.481 -5.119 226 1HG1 ILE 33 2HG1 ILE 33 -1.368 -4.667 -4.381 227 2HG1 ILE 33 1HG1 ILE 33 -2.497 -4.294 -3.078 228 1HG2 ILE 33 1HG2 ILE 33 -2.698 -3.935 -6.992 229 2HG2 ILE 33 2HG2 ILE 33 -1.195 -3.550 -6.152 230 3HG2 ILE 33 3HG2 ILE 33 -2.274 -2.254 -6.668 231 1HD1 ILE 33 1HD1 ILE 33 -2.611 -6.646 -4.231 232 2HD1 ILE 33 2HD1 ILE 33 -3.463 -5.778 -5.507 233 3HD1 ILE 33 3HD1 ILE 33 -4.109 -5.793 -3.865 234 H ILE 34 H ILE 34 -5.240 -1.552 -4.065 235 HA ILE 34 HA ILE 34 -5.318 -1.488 -1.082 236 HB ILE 34 HB ILE 34 -7.533 -0.716 -2.982 237 1HG1 ILE 34 2HG1 ILE 34 -5.566 0.425 -3.854 238 2HG1 ILE 34 1HG1 ILE 34 -6.541 1.596 -2.968 239 1HG2 ILE 34 1HG2 ILE 34 -6.750 -0.208 -0.152 240 2HG2 ILE 34 2HG2 ILE 34 -8.352 -0.454 -0.847 241 3HG2 ILE 34 3HG2 ILE 34 -7.547 1.107 -1.013 242 1HD1 ILE 34 1HD1 ILE 34 -5.077 1.581 -1.107 243 2HD1 ILE 34 2HD1 ILE 34 -4.001 1.587 -2.505 244 3HD1 ILE 34 3HD1 ILE 34 -4.298 0.086 -1.628 245 H ILE 35 H ILE 35 -7.634 -2.310 -0.294 246 HA ILE 35 HA ILE 35 -8.833 -4.506 -1.773 247 HB ILE 35 HB ILE 35 -6.835 -5.684 -1.267 248 1HG1 ILE 35 2HG1 ILE 35 -8.856 -6.216 0.932 249 2HG1 ILE 35 1HG1 ILE 35 -8.776 -7.007 -0.642 250 1HG2 ILE 35 1HG2 ILE 35 -5.835 -5.647 1.025 251 2HG2 ILE 35 2HG2 ILE 35 -7.035 -4.445 1.493 252 3HG2 ILE 35 3HG2 ILE 35 -5.840 -4.061 0.255 253 1HD1 ILE 35 1HD1 ILE 35 -7.765 -8.297 1.329 254 2HD1 ILE 35 2HD1 ILE 35 -6.475 -7.094 1.315 255 3HD1 ILE 35 3HD1 ILE 35 -6.742 -8.119 -0.097 256 HA PRO 36 HA PRO 36 -11.847 -3.335 1.248 257 1HB PRO 36 2HB PRO 36 -13.752 -5.176 0.564 258 2HB PRO 36 1HB PRO 36 -13.425 -3.720 -0.397 259 1HG PRO 36 2HG PRO 36 -12.574 -6.529 -0.863 260 2HG PRO 36 1HG PRO 36 -13.056 -5.285 -2.027 261 1HD PRO 36 2HD PRO 36 -10.457 -6.000 -1.525 262 2HD PRO 36 1HD PRO 36 -10.952 -4.414 -2.157 263 H GLY 37 H GLY 37 -10.671 -6.640 0.866 264 1HA GLY 37 2HA GLY 37 -11.308 -7.111 3.750 265 2HA GLY 37 1HA GLY 37 -11.449 -8.387 2.544 266 H ALA 38 H ALA 38 -9.867 -9.759 3.289 267 HA ALA 38 HA ALA 38 -7.051 -8.713 3.236 268 1HB ALA 38 1HB ALA 38 -6.615 -10.071 5.189 269 2HB ALA 38 2HB ALA 38 -8.215 -10.805 5.089 270 3HB ALA 38 3HB ALA 38 -8.051 -9.102 5.520 271 H THR 39 H THR 39 -8.814 -10.239 1.288 272 HA THR 39 HA THR 39 -7.749 -12.943 1.182 273 HB THR 39 HB THR 39 -9.983 -11.792 0.346 274 HG1 THR 39 1HG THR 39 -10.324 -13.627 -0.767 275 1HG2 THR 39 1HG2 THR 39 -10.007 -10.992 -1.812 276 2HG2 THR 39 2HG2 THR 39 -8.606 -11.949 -2.293 277 3HG2 THR 39 3HG2 THR 39 -8.388 -10.490 -1.327 278 H CYS 40 H CYS 40 -6.211 -10.185 0.709 279 HA CYS 40 HA CYS 40 -4.982 -10.009 -1.748 280 1HB CYS 40 2HB CYS 40 -4.325 -9.479 1.044 281 2HB CYS 40 1HB CYS 40 -2.883 -9.831 0.094 282 HA PRO 41 HA PRO 41 -2.802 -13.740 -2.518 283 1HB PRO 41 2HB PRO 41 -0.529 -12.833 -3.739 284 2HB PRO 41 1HB PRO 41 -2.122 -12.812 -4.523 285 1HG PRO 41 2HG PRO 41 -0.626 -10.597 -3.217 286 2HG PRO 41 1HG PRO 41 -1.631 -10.576 -4.675 287 1HD PRO 41 2HD PRO 41 -2.472 -9.670 -2.237 288 2HD PRO 41 1HD PRO 41 -3.566 -10.293 -3.491 289 H GLY 42 H GLY 42 -0.096 -14.311 -2.499 290 1HA GLY 42 2HA GLY 42 0.605 -13.880 0.370 291 2HA GLY 42 1HA GLY 42 1.136 -15.256 -0.597 292 H ASP 43 H ASP 43 1.443 -12.872 -2.734 293 HA ASP 43 HA ASP 43 4.323 -12.483 -2.104 294 1HB ASP 43 2HB ASP 43 2.537 -12.525 -4.466 295 2HB ASP 43 1HB ASP 43 3.846 -11.345 -4.548 296 H TYR 44 H TYR 44 1.306 -10.792 -2.081 297 HA TYR 44 HA TYR 44 2.741 -8.188 -1.674 298 1HB TYR 44 2HB TYR 44 -0.096 -8.692 -2.630 299 2HB TYR 44 1HB TYR 44 0.773 -7.157 -2.653 300 HD1 TYR 44 1HD TYR 44 -0.494 -8.837 -5.018 301 HD2 TYR 44 2HD TYR 44 3.487 -8.367 -3.476 302 HE1 TYR 44 1HE TYR 44 0.436 -9.386 -7.251 303 HE2 TYR 44 2HE TYR 44 4.416 -8.919 -5.707 304 HH TYR 44 HH TYR 44 2.272 -9.609 -8.473 305 H ALA 45 H ALA 45 1.711 -10.509 0.179 306 HA ALA 45 HA ALA 45 -0.286 -9.109 1.842 307 1HB ALA 45 1HB ALA 45 0.791 -11.791 1.436 308 2HB ALA 45 2HB ALA 45 -0.764 -11.309 2.114 309 3HB ALA 45 3HB ALA 45 0.659 -11.398 3.150 310 H ASN 46 H ASN 46 2.503 -8.007 1.504 311 HA ASN 46 HA ASN 46 3.462 -8.217 4.334 312 1HB ASN 46 2HB ASN 46 5.110 -8.924 2.742 313 2HB ASN 46 1HB ASN 46 4.778 -7.548 1.689 314 1HD2 ASN 46 1HD2 ASN 46 5.276 -5.326 2.703 315 2HD2 ASN 46 2HD2 ASN 46 6.602 -5.226 3.758 Start of MODEL 12 1 1H THR 1 1HT THR 1 -8.959 -3.238 4.102 2 2H THR 1 2HT THR 1 -7.839 -2.064 4.606 3 3H THR 1 3HT THR 1 -8.588 -3.075 5.749 4 HA THR 1 HA THR 1 -6.456 -3.990 5.496 5 HB THR 1 HB THR 1 -8.654 -5.283 3.887 6 HG1 THR 1 1HG THR 1 -7.594 -5.424 6.468 7 1HG2 THR 1 1HG2 THR 1 -6.911 -6.416 2.875 8 2HG2 THR 1 2HG2 THR 1 -7.082 -7.388 4.338 9 3HG2 THR 1 3HG2 THR 1 -5.819 -6.161 4.236 10 H THR 2 H THR 2 -4.593 -3.674 4.371 11 HA THR 2 HA THR 2 -4.761 -3.331 1.400 12 HB THR 2 HB THR 2 -4.405 -1.252 2.841 13 HG1 THR 2 1HG THR 2 -2.397 -2.043 1.000 14 1HG2 THR 2 1HG2 THR 2 -2.623 -2.878 4.144 15 2HG2 THR 2 2HG2 THR 2 -2.642 -1.117 4.251 16 3HG2 THR 2 3HG2 THR 2 -1.558 -1.920 3.115 17 H CYS 3 H CYS 3 -2.581 -3.810 0.348 18 HA CYS 3 HA CYS 3 -0.743 -5.514 1.907 19 1HB CYS 3 2HB CYS 3 -2.944 -6.491 0.227 20 2HB CYS 3 1HB CYS 3 -1.383 -7.191 -0.203 21 H CYS 4 H CYS 4 1.174 -4.617 1.203 22 HA CYS 4 HA CYS 4 1.453 -3.767 -1.629 23 1HB CYS 4 2HB CYS 4 3.423 -3.564 0.664 24 2HB CYS 4 1HB CYS 4 3.379 -2.586 -0.803 25 HA PRO 5 HA PRO 5 3.861 -7.222 -2.831 26 1HB PRO 5 2HB PRO 5 5.825 -6.074 -4.353 27 2HB PRO 5 1HB PRO 5 4.140 -6.218 -4.890 28 1HG PRO 5 2HG PRO 5 5.565 -3.866 -3.742 29 2HG PRO 5 1HG PRO 5 4.386 -3.937 -5.062 30 1HD PRO 5 2HD PRO 5 3.746 -3.142 -2.547 31 2HD PRO 5 1HD PRO 5 2.590 -3.939 -3.635 32 H SER 6 H SER 6 5.143 -4.904 -0.725 33 HA SER 6 HA SER 6 7.022 -6.737 0.451 34 1HB SER 6 2HB SER 6 9.063 -5.983 -0.448 35 2HB SER 6 1HB SER 6 8.002 -5.982 -1.853 36 HG SER 6 HG SER 6 8.280 -3.911 -1.965 37 H ILE 7 H ILE 7 8.480 -5.509 2.074 38 HA ILE 7 HA ILE 7 6.892 -3.746 3.683 39 HB ILE 7 HB ILE 7 9.891 -4.224 3.635 40 1HG1 ILE 7 2HG1 ILE 7 8.694 -6.343 3.735 41 2HG1 ILE 7 1HG1 ILE 7 9.333 -5.983 5.339 42 1HG2 ILE 7 1HG2 ILE 7 8.530 -3.835 6.204 43 2HG2 ILE 7 2HG2 ILE 7 8.428 -2.424 5.150 44 3HG2 ILE 7 3HG2 ILE 7 10.003 -3.085 5.591 45 1HD1 ILE 7 1HD1 ILE 7 6.527 -6.102 4.409 46 2HD1 ILE 7 2HD1 ILE 7 6.907 -4.746 5.471 47 3HD1 ILE 7 3HD1 ILE 7 7.196 -6.400 6.013 48 H VAL 8 H VAL 8 9.406 -3.175 1.249 49 HA VAL 8 HA VAL 8 9.748 -0.355 1.753 50 HB VAL 8 HB VAL 8 10.138 -2.064 -0.730 51 1HG1 VAL 8 1HG1 VAL 8 12.001 -0.109 -0.899 52 2HG1 VAL 8 2HG1 VAL 8 10.713 0.780 -0.085 53 3HG1 VAL 8 3HG1 VAL 8 10.409 0.018 -1.647 54 1HG2 VAL 8 1HG2 VAL 8 12.261 -1.163 1.216 55 2HG2 VAL 8 2HG2 VAL 8 12.329 -2.483 0.050 56 3HG2 VAL 8 3HG2 VAL 8 11.341 -2.640 1.502 57 H ALA 9 H ALA 9 7.848 -2.131 -0.720 58 HA ALA 9 HA ALA 9 6.615 0.040 -2.013 59 1HB ALA 9 1HB ALA 9 4.861 -1.634 -2.538 60 2HB ALA 9 2HB ALA 9 5.465 -2.665 -1.241 61 3HB ALA 9 3HB ALA 9 6.468 -2.350 -2.657 62 H ARG 10 H ARG 10 5.851 -1.496 1.071 63 HA ARG 10 HA ARG 10 3.390 0.018 1.508 64 1HB ARG 10 2HB ARG 10 3.456 -2.096 2.495 65 2HB ARG 10 1HB ARG 10 5.159 -1.968 2.892 66 1HG ARG 10 2HG ARG 10 3.946 0.063 4.393 67 2HG ARG 10 1HG ARG 10 2.842 -1.306 4.510 68 1HD ARG 10 2HD ARG 10 5.718 -1.986 4.749 69 2HD ARG 10 1HD ARG 10 5.028 -1.061 6.092 70 HE ARG 10 HE ARG 10 4.089 -3.734 5.179 71 1HH1 ARG 10 1HH1 ARG 10 3.200 -0.890 6.837 72 2HH1 ARG 10 2HH1 ARG 10 2.474 -1.715 8.175 73 1HH2 ARG 10 1HH2 ARG 10 3.435 -4.866 7.093 74 2HH2 ARG 10 2HH2 ARG 10 2.607 -3.967 8.320 75 H SER 11 H SER 11 6.800 0.237 2.347 76 HA SER 11 HA SER 11 6.691 2.214 4.392 77 1HB SER 11 2HB SER 11 8.917 1.836 4.216 78 2HB SER 11 1HB SER 11 8.589 0.834 2.806 79 HG SER 11 HG SER 11 9.224 3.587 2.939 80 H ASN 12 H ASN 12 6.952 2.575 0.837 81 HA ASN 12 HA ASN 12 6.903 5.480 0.894 82 1HB ASN 12 2HB ASN 12 5.982 3.777 -1.417 83 2HB ASN 12 1HB ASN 12 6.920 5.267 -1.454 84 1HD2 ASN 12 1HD2 ASN 12 7.353 2.197 -2.264 85 2HD2 ASN 12 2HD2 ASN 12 8.947 1.928 -1.754 86 H PHE 13 H PHE 13 4.476 2.974 0.174 87 HA PHE 13 HA PHE 13 2.230 4.558 -0.393 88 1HB PHE 13 2HB PHE 13 1.852 2.305 -0.652 89 2HB PHE 13 1HB PHE 13 2.861 1.873 0.718 90 HD1 PHE 13 1HD PHE 13 -0.388 3.600 -0.025 91 HD2 PHE 13 2HD PHE 13 1.831 1.082 2.655 92 HE1 PHE 13 1HE PHE 13 -2.408 3.315 1.383 93 HE2 PHE 13 2HE PHE 13 -0.190 0.796 4.061 94 HZ PHE 13 HZ PHE 13 -2.311 1.913 3.425 95 H ASN 14 H ASN 14 3.754 3.826 2.676 96 HA ASN 14 HA ASN 14 1.605 4.970 4.314 97 1HB ASN 14 2HB ASN 14 4.326 3.765 4.684 98 2HB ASN 14 1HB ASN 14 3.625 4.685 6.015 99 1HD2 ASN 14 1HD2 ASN 14 4.037 1.864 6.240 100 2HD2 ASN 14 2HD2 ASN 14 2.521 1.101 6.297 101 H VAL 15 H VAL 15 4.496 6.111 2.747 102 HA VAL 15 HA VAL 15 4.842 8.477 4.417 103 HB VAL 15 HB VAL 15 6.170 7.007 2.344 104 1HG1 VAL 15 1HG1 VAL 15 7.122 8.912 1.048 105 2HG1 VAL 15 2HG1 VAL 15 5.931 9.977 1.794 106 3HG1 VAL 15 3HG1 VAL 15 5.404 8.668 0.736 107 1HG2 VAL 15 1HG2 VAL 15 7.953 7.624 3.584 108 2HG2 VAL 15 2HG2 VAL 15 6.776 8.357 4.674 109 3HG2 VAL 15 3HG2 VAL 15 7.566 9.339 3.440 110 H CYS 16 H CYS 16 3.158 7.686 1.412 111 HA CYS 16 HA CYS 16 2.497 10.486 0.811 112 1HB CYS 16 2HB CYS 16 2.712 9.228 -1.118 113 2HB CYS 16 1HB CYS 16 2.151 7.753 -0.340 114 H ARG 17 H ARG 17 1.042 7.752 2.435 115 HA ARG 17 HA ARG 17 -1.631 8.972 2.598 116 1HB ARG 17 2HB ARG 17 -0.613 6.423 2.519 117 2HB ARG 17 1HB ARG 17 -0.889 6.628 4.248 118 1HG ARG 17 2HG ARG 17 -2.911 6.906 2.016 119 2HG ARG 17 1HG ARG 17 -2.916 5.741 3.342 120 1HD ARG 17 2HD ARG 17 -3.278 7.512 4.968 121 2HD ARG 17 1HD ARG 17 -3.144 8.748 3.705 122 HE ARG 17 HE ARG 17 -5.115 6.963 2.812 123 1HH1 ARG 17 1HH1 ARG 17 -5.139 7.413 6.023 124 2HH1 ARG 17 2HH1 ARG 17 -6.543 8.424 6.107 125 1HH2 ARG 17 1HH2 ARG 17 -6.678 8.970 2.686 126 2HH2 ARG 17 2HH2 ARG 17 -7.414 9.307 4.217 127 H LEU 18 H LEU 18 1.218 9.618 4.069 128 HA LEU 18 HA LEU 18 0.503 9.604 6.876 129 1HB LEU 18 2HB LEU 18 2.733 10.027 5.151 130 2HB LEU 18 1HB LEU 18 2.580 11.449 6.175 131 HG LEU 18 HG LEU 18 2.706 8.574 7.119 132 1HD1 LEU 18 1HD1 LEU 18 4.884 9.067 7.904 133 2HD1 LEU 18 2HD1 LEU 18 4.645 10.806 7.734 134 3HD1 LEU 18 3HD1 LEU 18 4.833 9.797 6.299 135 1HD2 LEU 18 1HD2 LEU 18 1.829 9.286 9.070 136 2HD2 LEU 18 2HD2 LEU 18 1.543 10.866 8.340 137 3HD2 LEU 18 3HD2 LEU 18 3.057 10.546 9.185 138 HA PRO 19 HA PRO 19 -0.136 14.267 6.074 139 1HB PRO 19 2HB PRO 19 -0.353 15.126 3.488 140 2HB PRO 19 1HB PRO 19 1.193 15.044 4.355 141 1HG PRO 19 2HG PRO 19 0.061 13.195 2.331 142 2HG PRO 19 1HG PRO 19 1.740 13.680 2.610 143 1HD PRO 19 2HD PRO 19 0.654 11.288 3.412 144 2HD PRO 19 1HD PRO 19 2.086 12.036 4.148 145 H GLY 20 H GLY 20 -1.650 13.572 2.958 146 1HA GLY 20 2HA GLY 20 -4.203 12.891 4.243 147 2HA GLY 20 1HA GLY 20 -4.172 14.459 3.437 148 H THR 21 H THR 21 -2.336 11.698 2.203 149 HA THR 21 HA THR 21 -3.885 11.889 -0.277 150 HB THR 21 HB THR 21 -1.652 9.969 0.279 151 HG1 THR 21 1HG THR 21 -1.325 12.708 -0.400 152 1HG2 THR 21 1HG2 THR 21 -1.146 10.789 -2.142 153 2HG2 THR 21 2HG2 THR 21 -2.768 11.465 -2.084 154 3HG2 THR 21 3HG2 THR 21 -2.532 9.728 -1.887 155 HA PRO 22 HA PRO 22 -6.230 8.323 0.734 156 1HB PRO 22 2HB PRO 22 -7.085 7.768 -1.809 157 2HB PRO 22 1HB PRO 22 -7.760 9.082 -0.826 158 1HG PRO 22 2HG PRO 22 -5.770 9.200 -3.032 159 2HG PRO 22 1HG PRO 22 -7.068 10.333 -2.620 160 1HD PRO 22 2HD PRO 22 -4.425 10.743 -1.985 161 2HD PRO 22 1HD PRO 22 -5.770 11.444 -1.079 162 H GLU 23 H GLU 23 -5.373 6.379 1.059 163 HA GLU 23 HA GLU 23 -3.015 5.250 0.437 164 1HB GLU 23 2HB GLU 23 -5.661 3.775 0.241 165 2HB GLU 23 1HB GLU 23 -4.111 3.084 0.717 166 1HG GLU 23 2HG GLU 23 -4.430 5.278 2.411 167 2HG GLU 23 1HG GLU 23 -6.038 4.561 2.323 168 H ALA 24 H ALA 24 -5.665 5.587 -1.878 169 HA ALA 24 HA ALA 24 -4.783 3.783 -3.895 170 1HB ALA 24 1HB ALA 24 -6.623 6.035 -3.532 171 2HB ALA 24 2HB ALA 24 -6.833 4.564 -4.483 172 3HB ALA 24 3HB ALA 24 -5.981 5.946 -5.173 173 H LEU 25 H LEU 25 -4.176 7.317 -3.563 174 HA LEU 25 HA LEU 25 -2.399 7.482 -5.812 175 1HB LEU 25 2HB LEU 25 -3.631 9.141 -3.914 176 2HB LEU 25 1HB LEU 25 -1.903 9.382 -3.666 177 HG LEU 25 HG LEU 25 -2.300 9.313 -6.468 178 1HD1 LEU 25 1HD1 LEU 25 -4.393 10.889 -4.963 179 2HD1 LEU 25 2HD1 LEU 25 -4.621 9.785 -6.320 180 3HD1 LEU 25 3HD1 LEU 25 -3.871 11.360 -6.580 181 1HD2 LEU 25 1HD2 LEU 25 -1.174 11.349 -6.380 182 2HD2 LEU 25 2HD2 LEU 25 -0.762 10.685 -4.799 183 3HD2 LEU 25 3HD2 LEU 25 -2.047 11.885 -4.944 184 H CYS 26 H CYS 26 -1.893 6.722 -2.387 185 HA CYS 26 HA CYS 26 1.003 6.907 -2.464 186 1HB CYS 26 2HB CYS 26 -0.794 5.315 -0.610 187 2HB CYS 26 1HB CYS 26 0.821 5.927 -0.254 188 H ALA 27 H ALA 27 -1.341 4.280 -2.939 189 HA ALA 27 HA ALA 27 0.825 2.311 -3.305 190 1HB ALA 27 1HB ALA 27 -0.825 0.867 -2.714 191 2HB ALA 27 2HB ALA 27 -1.889 1.483 -3.979 192 3HB ALA 27 3HB ALA 27 -1.824 2.287 -2.411 193 H THR 28 H THR 28 -0.367 4.671 -5.131 194 HA THR 28 HA THR 28 -0.631 3.182 -7.674 195 HB THR 28 HB THR 28 -1.501 5.673 -6.483 196 HG1 THR 28 1HG THR 28 -3.136 5.099 -7.634 197 1HG2 THR 28 1HG2 THR 28 0.141 6.912 -7.645 198 2HG2 THR 28 2HG2 THR 28 -1.288 7.005 -8.675 199 3HG2 THR 28 3HG2 THR 28 0.019 5.891 -9.078 200 H TYR 29 H TYR 29 1.488 5.545 -6.076 201 HA TYR 29 HA TYR 29 3.384 5.574 -8.331 202 1HB TYR 29 2HB TYR 29 2.789 7.553 -6.897 203 2HB TYR 29 1HB TYR 29 3.561 6.742 -5.534 204 HD1 TYR 29 1HD TYR 29 4.671 6.680 -9.088 205 HD2 TYR 29 2HD TYR 29 5.423 8.170 -5.130 206 HE1 TYR 29 1HE TYR 29 6.880 7.528 -9.827 207 HE2 TYR 29 2HE TYR 29 7.632 9.018 -5.869 208 HH TYR 29 HH TYR 29 8.567 9.014 -9.240 209 H THR 30 H THR 30 3.028 4.017 -5.183 210 HA THR 30 HA THR 30 5.795 2.965 -5.295 211 HB THR 30 HB THR 30 4.488 3.894 -3.249 212 HG1 THR 30 1HG THR 30 5.614 1.347 -2.866 213 1HG2 THR 30 1HG2 THR 30 3.624 1.172 -2.627 214 2HG2 THR 30 2HG2 THR 30 2.734 1.885 -3.972 215 3HG2 THR 30 3HG2 THR 30 2.771 2.701 -2.409 216 H GLY 31 H GLY 31 2.546 1.976 -6.055 217 1HA GLY 31 2HA GLY 31 2.223 0.042 -7.517 218 2HA GLY 31 1HA GLY 31 3.621 -0.715 -6.757 219 H CYS 32 H CYS 32 2.873 -0.161 -4.030 220 HA CYS 32 HA CYS 32 1.515 -2.409 -3.213 221 1HB CYS 32 2HB CYS 32 2.557 -0.806 -1.701 222 2HB CYS 32 1HB CYS 32 1.351 0.415 -2.114 223 H ILE 33 H ILE 33 -0.747 -2.777 -2.529 224 HA ILE 33 HA ILE 33 -2.753 -1.072 -3.959 225 HB ILE 33 HB ILE 33 -3.817 -3.176 -4.728 226 1HG1 ILE 33 2HG1 ILE 33 -1.641 -4.984 -4.299 227 2HG1 ILE 33 1HG1 ILE 33 -2.087 -4.288 -2.741 228 1HG2 ILE 33 1HG2 ILE 33 -0.871 -2.882 -5.384 229 2HG2 ILE 33 2HG2 ILE 33 -2.222 -2.123 -6.229 230 3HG2 ILE 33 3HG2 ILE 33 -1.999 -3.871 -6.310 231 1HD1 ILE 33 1HD1 ILE 33 -3.455 -6.251 -3.084 232 2HD1 ILE 33 2HD1 ILE 33 -3.917 -5.704 -4.696 233 3HD1 ILE 33 3HD1 ILE 33 -4.490 -4.835 -3.273 234 H ILE 34 H ILE 34 -4.796 -0.984 -2.919 235 HA ILE 34 HA ILE 34 -4.842 -2.106 -0.143 236 HB ILE 34 HB ILE 34 -6.388 0.177 -1.411 237 1HG1 ILE 34 2HG1 ILE 34 -4.702 1.350 0.345 238 2HG1 ILE 34 1HG1 ILE 34 -3.704 -0.020 -0.141 239 1HG2 ILE 34 1HG2 ILE 34 -5.952 -0.486 1.513 240 2HG2 ILE 34 2HG2 ILE 34 -7.392 -0.962 0.614 241 3HG2 ILE 34 3HG2 ILE 34 -7.021 0.747 0.845 242 1HD1 ILE 34 1HD1 ILE 34 -5.104 1.631 -2.228 243 2HD1 ILE 34 2HD1 ILE 34 -3.648 0.649 -2.385 244 3HD1 ILE 34 3HD1 ILE 34 -3.583 2.193 -1.535 245 H ILE 35 H ILE 35 -6.992 -2.869 0.621 246 HA ILE 35 HA ILE 35 -8.978 -3.541 -1.482 247 HB ILE 35 HB ILE 35 -8.797 -5.968 -0.731 248 1HG1 ILE 35 2HG1 ILE 35 -6.227 -4.934 0.508 249 2HG1 ILE 35 1HG1 ILE 35 -7.644 -5.470 1.414 250 1HG2 ILE 35 1HG2 ILE 35 -6.134 -5.096 -1.796 251 2HG2 ILE 35 2HG2 ILE 35 -7.581 -4.765 -2.748 252 3HG2 ILE 35 3HG2 ILE 35 -7.165 -6.426 -2.324 253 1HD1 ILE 35 1HD1 ILE 35 -6.296 -7.391 1.384 254 2HD1 ILE 35 2HD1 ILE 35 -5.756 -7.103 -0.270 255 3HD1 ILE 35 3HD1 ILE 35 -7.399 -7.670 0.036 256 HA PRO 36 HA PRO 36 -11.809 -3.169 1.855 257 1HB PRO 36 2HB PRO 36 -13.588 -5.209 1.412 258 2HB PRO 36 1HB PRO 36 -13.536 -3.736 0.424 259 1HG PRO 36 2HG PRO 36 -12.398 -6.431 -0.141 260 2HG PRO 36 1HG PRO 36 -13.224 -5.306 -1.231 261 1HD PRO 36 2HD PRO 36 -10.532 -5.591 -1.193 262 2HD PRO 36 1HD PRO 36 -11.328 -4.053 -1.593 263 H GLY 37 H GLY 37 -10.138 -6.176 1.369 264 1HA GLY 37 2HA GLY 37 -8.987 -7.033 3.422 265 2HA GLY 37 1HA GLY 37 -10.513 -6.828 4.264 266 H ALA 38 H ALA 38 -8.613 -9.121 3.236 267 HA ALA 38 HA ALA 38 -10.716 -11.111 3.090 268 1HB ALA 38 1HB ALA 38 -10.904 -10.429 0.823 269 2HB ALA 38 2HB ALA 38 -9.854 -11.844 0.755 270 3HB ALA 38 3HB ALA 38 -9.158 -10.225 0.661 271 H THR 39 H THR 39 -7.711 -11.457 1.367 272 HA THR 39 HA THR 39 -6.296 -12.569 3.685 273 HB THR 39 HB THR 39 -8.033 -14.196 2.501 274 HG1 THR 39 1HG THR 39 -5.423 -14.820 3.396 275 1HG2 THR 39 1HG2 THR 39 -5.622 -15.143 1.059 276 2HG2 THR 39 2HG2 THR 39 -6.454 -13.753 0.364 277 3HG2 THR 39 3HG2 THR 39 -7.324 -15.267 0.612 278 H CYS 40 H CYS 40 -6.166 -10.933 0.882 279 HA CYS 40 HA CYS 40 -4.426 -10.252 -0.559 280 1HB CYS 40 2HB CYS 40 -3.039 -11.138 1.980 281 2HB CYS 40 1HB CYS 40 -2.185 -10.333 0.665 282 HA PRO 41 HA PRO 41 -2.868 -13.853 -2.567 283 1HB PRO 41 2HB PRO 41 -0.894 -12.747 -4.103 284 2HB PRO 41 1HB PRO 41 -2.618 -12.505 -4.439 285 1HG PRO 41 2HG PRO 41 -0.655 -10.671 -3.214 286 2HG PRO 41 1HG PRO 41 -2.069 -10.310 -4.211 287 1HD PRO 41 2HD PRO 41 -1.926 -10.059 -1.438 288 2HD PRO 41 1HD PRO 41 -3.418 -10.110 -2.401 289 H GLY 42 H GLY 42 -0.122 -14.244 -3.349 290 1HA GLY 42 2HA GLY 42 1.114 -14.572 -0.651 291 2HA GLY 42 1HA GLY 42 1.457 -15.602 -2.038 292 H ASP 43 H ASP 43 1.342 -12.780 -3.519 293 HA ASP 43 HA ASP 43 4.265 -12.287 -3.140 294 1HB ASP 43 2HB ASP 43 3.946 -11.160 -5.402 295 2HB ASP 43 1HB ASP 43 3.633 -12.895 -5.380 296 H TYR 44 H TYR 44 1.144 -10.905 -2.633 297 HA TYR 44 HA TYR 44 2.392 -8.224 -2.129 298 1HB TYR 44 2HB TYR 44 -0.504 -8.919 -2.706 299 2HB TYR 44 1HB TYR 44 0.208 -7.310 -2.670 300 HD1 TYR 44 1HD TYR 44 -1.274 -8.764 -5.019 301 HD2 TYR 44 2HD TYR 44 2.865 -8.213 -4.020 302 HE1 TYR 44 1HE TYR 44 -0.666 -8.958 -7.416 303 HE2 TYR 44 2HE TYR 44 3.473 -8.407 -6.413 304 HH TYR 44 HH TYR 44 1.509 -9.677 -8.709 305 H ALA 45 H ALA 45 1.851 -10.818 -0.404 306 HA ALA 45 HA ALA 45 0.021 -9.783 1.663 307 1HB ALA 45 1HB ALA 45 -0.150 -12.078 1.500 308 2HB ALA 45 2HB ALA 45 1.122 -12.003 2.719 309 3HB ALA 45 3HB ALA 45 1.537 -12.272 1.026 310 H ASN 46 H ASN 46 2.559 -8.285 1.077 311 HA ASN 46 HA ASN 46 3.951 -8.608 3.715 312 1HB ASN 46 2HB ASN 46 4.972 -8.789 1.222 313 2HB ASN 46 1HB ASN 46 5.121 -7.047 1.461 314 1HD2 ASN 46 1HD2 ASN 46 5.514 -9.813 3.753 315 2HD2 ASN 46 2HD2 ASN 46 7.078 -9.371 4.241 Start of MODEL 13 1 1H THR 1 1HT THR 1 -8.637 -3.706 2.885 2 2H THR 1 2HT THR 1 -7.730 -2.345 2.430 3 3H THR 1 3HT THR 1 -8.221 -2.539 4.044 4 HA THR 1 HA THR 1 -6.267 -3.510 4.461 5 HB THR 1 HB THR 1 -7.671 -5.443 2.611 6 HG1 THR 1 1HG THR 1 -7.059 -5.508 5.377 7 1HG2 THR 1 1HG2 THR 1 -5.151 -6.014 4.192 8 2HG2 THR 1 2HG2 THR 1 -5.196 -5.782 2.444 9 3HG2 THR 1 3HG2 THR 1 -6.038 -7.149 3.174 10 H THR 2 H THR 2 -4.234 -2.959 3.778 11 HA THR 2 HA THR 2 -3.785 -2.434 0.889 12 HB THR 2 HB THR 2 -1.866 -1.985 3.177 13 HG1 THR 2 1HG THR 2 -3.107 -0.483 3.935 14 1HG2 THR 2 1HG2 THR 2 -2.260 0.036 1.074 15 2HG2 THR 2 2HG2 THR 2 -1.681 -1.518 0.478 16 3HG2 THR 2 3HG2 THR 2 -0.766 -0.649 1.710 17 H CYS 3 H CYS 3 -1.770 -3.286 -0.118 18 HA CYS 3 HA CYS 3 -0.520 -5.620 1.218 19 1HB CYS 3 2HB CYS 3 -2.245 -5.689 -1.266 20 2HB CYS 3 1HB CYS 3 -1.105 -6.977 -0.880 21 H CYS 4 H CYS 4 1.617 -5.073 0.940 22 HA CYS 4 HA CYS 4 2.478 -3.990 -1.717 23 1HB CYS 4 2HB CYS 4 3.561 -3.789 1.108 24 2HB CYS 4 1HB CYS 4 4.459 -3.220 -0.300 25 HA PRO 5 HA PRO 5 4.599 -7.798 -2.308 26 1HB PRO 5 2HB PRO 5 6.352 -6.995 -4.246 27 2HB PRO 5 1HB PRO 5 4.624 -7.260 -4.552 28 1HG PRO 5 2HG PRO 5 6.108 -4.717 -4.158 29 2HG PRO 5 1HG PRO 5 4.747 -5.078 -5.229 30 1HD PRO 5 2HD PRO 5 4.522 -3.748 -2.837 31 2HD PRO 5 1HD PRO 5 3.199 -4.648 -3.612 32 H SER 6 H SER 6 6.053 -5.029 -0.949 33 HA SER 6 HA SER 6 8.251 -6.664 0.142 34 1HB SER 6 2HB SER 6 8.560 -4.551 -1.962 35 2HB SER 6 1HB SER 6 9.832 -4.736 -0.758 36 HG SER 6 HG SER 6 10.311 -6.661 -1.545 37 H ILE 7 H ILE 7 9.542 -5.366 1.751 38 HA ILE 7 HA ILE 7 7.875 -3.874 3.528 39 HB ILE 7 HB ILE 7 10.899 -3.960 3.250 40 1HG1 ILE 7 2HG1 ILE 7 8.994 -5.722 4.827 41 2HG1 ILE 7 1HG1 ILE 7 9.872 -6.210 3.377 42 1HG2 ILE 7 1HG2 ILE 7 9.785 -2.204 4.784 43 2HG2 ILE 7 2HG2 ILE 7 11.005 -3.252 5.508 44 3HG2 ILE 7 3HG2 ILE 7 9.293 -3.576 5.777 45 1HD1 ILE 7 1HD1 ILE 7 12.011 -5.841 4.516 46 2HD1 ILE 7 2HD1 ILE 7 11.019 -6.963 5.446 47 3HD1 ILE 7 3HD1 ILE 7 11.166 -5.282 5.958 48 H VAL 8 H VAL 8 10.029 -2.887 0.906 49 HA VAL 8 HA VAL 8 10.027 -0.057 1.565 50 HB VAL 8 HB VAL 8 10.508 -1.407 -1.108 51 1HG1 VAL 8 1HG1 VAL 8 11.180 1.222 0.152 52 2HG1 VAL 8 2HG1 VAL 8 10.711 0.863 -1.510 53 3HG1 VAL 8 3HG1 VAL 8 12.350 0.513 -0.962 54 1HG2 VAL 8 1HG2 VAL 8 11.963 -2.665 0.169 55 2HG2 VAL 8 2HG2 VAL 8 12.077 -1.442 1.434 56 3HG2 VAL 8 3HG2 VAL 8 12.975 -1.241 -0.071 57 H ALA 9 H ALA 9 8.391 -1.949 -1.009 58 HA ALA 9 HA ALA 9 6.841 -0.040 -2.256 59 1HB ALA 9 1HB ALA 9 6.178 -2.012 -3.139 60 2HB ALA 9 2HB ALA 9 5.123 -2.228 -1.743 61 3HB ALA 9 3HB ALA 9 6.760 -2.882 -1.720 62 H ARG 10 H ARG 10 6.228 -1.480 0.939 63 HA ARG 10 HA ARG 10 3.722 0.004 1.305 64 1HB ARG 10 2HB ARG 10 3.728 -2.086 2.312 65 2HB ARG 10 1HB ARG 10 5.442 -2.014 2.685 66 1HG ARG 10 2HG ARG 10 4.444 0.001 4.276 67 2HG ARG 10 1HG ARG 10 3.134 -1.176 4.301 68 1HD ARG 10 2HD ARG 10 5.894 -2.260 4.584 69 2HD ARG 10 1HD ARG 10 5.229 -1.375 5.967 70 HE ARG 10 HE ARG 10 3.502 -3.418 4.678 71 1HH1 ARG 10 1HH2 ARG 10 5.933 -4.342 6.408 72 2HH1 ARG 10 2HH2 ARG 10 5.125 -4.650 7.908 73 1HH2 ARG 10 1HH1 ARG 10 2.233 -2.965 6.999 74 2HH2 ARG 10 2HH1 ARG 10 3.029 -3.867 8.245 75 H SER 11 H SER 11 7.088 0.165 2.411 76 HA SER 11 HA SER 11 6.897 2.170 4.387 77 1HB SER 11 2HB SER 11 8.958 1.355 2.345 78 2HB SER 11 1HB SER 11 9.278 2.697 3.440 79 HG SER 11 HG SER 11 9.983 0.682 4.285 80 H ASN 12 H ASN 12 6.863 2.454 0.853 81 HA ASN 12 HA ASN 12 7.038 5.386 0.899 82 1HB ASN 12 2HB ASN 12 6.054 3.721 -1.406 83 2HB ASN 12 1HB ASN 12 7.070 5.160 -1.441 84 1HD2 ASN 12 1HD2 ASN 12 7.215 1.876 -1.914 85 2HD2 ASN 12 2HD2 ASN 12 8.846 1.605 -1.533 86 H PHE 13 H PHE 13 4.513 2.988 0.097 87 HA PHE 13 HA PHE 13 2.357 4.732 -0.395 88 1HB PHE 13 2HB PHE 13 1.731 2.592 -0.841 89 2HB PHE 13 1HB PHE 13 2.878 1.931 0.314 90 HD1 PHE 13 1HD PHE 13 -0.466 3.557 0.034 91 HD2 PHE 13 2HD PHE 13 2.159 1.151 2.430 92 HE1 PHE 13 1HE PHE 13 -2.319 3.110 1.618 93 HE2 PHE 13 2HE PHE 13 0.304 0.701 4.013 94 HZ PHE 13 HZ PHE 13 -1.936 1.684 3.608 95 H ASN 14 H ASN 14 3.569 3.467 2.700 96 HA ASN 14 HA ASN 14 1.446 4.699 4.268 97 1HB ASN 14 2HB ASN 14 2.482 3.613 6.036 98 2HB ASN 14 1HB ASN 14 3.041 2.635 4.690 99 1HD2 ASN 14 1HD2 ASN 14 4.457 2.860 7.207 100 2HD2 ASN 14 2HD2 ASN 14 5.945 3.614 6.894 101 H VAL 15 H VAL 15 4.528 5.670 3.058 102 HA VAL 15 HA VAL 15 4.857 7.965 4.844 103 HB VAL 15 HB VAL 15 6.293 6.437 2.860 104 1HG1 VAL 15 1HG1 VAL 15 6.012 8.191 1.265 105 2HG1 VAL 15 2HG1 VAL 15 7.628 8.391 1.943 106 3HG1 VAL 15 3HG1 VAL 15 6.310 9.433 2.480 107 1HG2 VAL 15 1HG2 VAL 15 6.933 6.954 5.227 108 2HG2 VAL 15 2HG2 VAL 15 7.268 8.611 4.721 109 3HG2 VAL 15 3HG2 VAL 15 8.212 7.278 4.056 110 H CYS 16 H CYS 16 3.343 7.276 1.776 111 HA CYS 16 HA CYS 16 3.096 10.085 0.955 112 1HB CYS 16 2HB CYS 16 3.290 8.577 -0.819 113 2HB CYS 16 1HB CYS 16 2.316 7.352 -0.013 114 H ARG 17 H ARG 17 1.214 7.740 2.745 115 HA ARG 17 HA ARG 17 -1.253 9.367 2.632 116 1HB ARG 17 2HB ARG 17 -1.386 6.932 2.440 117 2HB ARG 17 1HB ARG 17 -0.472 6.735 3.934 118 1HG ARG 17 2HG ARG 17 -2.253 7.694 5.242 119 2HG ARG 17 1HG ARG 17 -3.132 8.173 3.789 120 1HD ARG 17 2HD ARG 17 -3.258 5.711 3.167 121 2HD ARG 17 1HD ARG 17 -2.635 5.352 4.790 122 HE ARG 17 HE ARG 17 -5.079 7.042 4.431 123 1HH1 ARG 17 1HH1 ARG 17 -5.415 4.012 4.487 124 2HH1 ARG 17 2HH1 ARG 17 -5.762 3.744 6.163 125 1HH2 ARG 17 1HH2 ARG 17 -4.653 6.870 7.169 126 2HH2 ARG 17 2HH2 ARG 17 -5.332 5.362 7.680 127 H LEU 18 H LEU 18 1.570 9.643 4.230 128 HA LEU 18 HA LEU 18 0.925 9.777 6.997 129 1HB LEU 18 2HB LEU 18 3.069 10.224 5.202 130 2HB LEU 18 1HB LEU 18 2.899 11.698 6.148 131 HG LEU 18 HG LEU 18 3.241 8.882 7.206 132 1HD1 LEU 18 1HD1 LEU 18 4.967 11.192 7.977 133 2HD1 LEU 18 2HD1 LEU 18 5.180 10.526 6.358 134 3HD1 LEU 18 3HD1 LEU 18 5.391 9.493 7.773 135 1HD2 LEU 18 1HD2 LEU 18 3.419 10.760 9.300 136 2HD2 LEU 18 2HD2 LEU 18 2.136 9.578 9.046 137 3HD2 LEU 18 3HD2 LEU 18 1.976 11.208 8.390 138 HA PRO 19 HA PRO 19 0.026 14.391 6.173 139 1HB PRO 19 2HB PRO 19 -0.461 15.180 3.602 140 2HB PRO 19 1HB PRO 19 1.155 15.195 4.334 141 1HG PRO 19 2HG PRO 19 -0.035 13.279 2.418 142 2HG PRO 19 1HG PRO 19 1.642 13.814 2.592 143 1HD PRO 19 2HD PRO 19 0.636 11.399 3.487 144 2HD PRO 19 1HD PRO 19 2.135 12.158 4.064 145 H GLY 20 H GLY 20 -1.674 13.188 3.281 146 1HA GLY 20 2HA GLY 20 -4.091 12.545 4.742 147 2HA GLY 20 1HA GLY 20 -4.214 14.111 3.938 148 H THR 21 H THR 21 -2.261 11.564 2.534 149 HA THR 21 HA THR 21 -3.889 11.639 0.134 150 HB THR 21 HB THR 21 -1.589 9.809 0.813 151 HG1 THR 21 1HG THR 21 -0.370 11.585 -0.223 152 1HG2 THR 21 1HG2 THR 21 -1.205 10.064 -1.663 153 2HG2 THR 21 2HG2 THR 21 -2.707 10.974 -1.749 154 3HG2 THR 21 3HG2 THR 21 -2.730 9.282 -1.251 155 HA PRO 22 HA PRO 22 -6.243 8.087 1.206 156 1HB PRO 22 2HB PRO 22 -7.167 7.548 -1.313 157 2HB PRO 22 1HB PRO 22 -7.800 8.864 -0.308 158 1HG PRO 22 2HG PRO 22 -5.885 8.971 -2.577 159 2HG PRO 22 1HG PRO 22 -7.146 10.124 -2.111 160 1HD PRO 22 2HD PRO 22 -4.462 10.466 -1.566 161 2HD PRO 22 1HD PRO 22 -5.766 11.215 -0.638 162 H GLU 23 H GLU 23 -5.221 6.222 1.584 163 HA GLU 23 HA GLU 23 -2.912 5.120 0.688 164 1HB GLU 23 2HB GLU 23 -4.104 2.872 1.038 165 2HB GLU 23 1HB GLU 23 -4.222 4.031 2.362 166 1HG GLU 23 2HG GLU 23 -6.420 4.794 1.428 167 2HG GLU 23 1HG GLU 23 -6.313 3.499 0.234 168 H ALA 24 H ALA 24 -5.899 5.242 -1.181 169 HA ALA 24 HA ALA 24 -5.267 3.357 -3.220 170 1HB ALA 24 1HB ALA 24 -7.168 4.240 -4.202 171 2HB ALA 24 2HB ALA 24 -6.698 5.903 -3.852 172 3HB ALA 24 3HB ALA 24 -7.374 4.892 -2.576 173 H LEU 25 H LEU 25 -4.558 6.866 -2.961 174 HA LEU 25 HA LEU 25 -3.193 6.992 -5.521 175 1HB LEU 25 2HB LEU 25 -4.248 8.743 -3.674 176 2HB LEU 25 1HB LEU 25 -2.515 8.962 -3.435 177 HG LEU 25 HG LEU 25 -3.303 8.808 -6.260 178 1HD1 LEU 25 1HD1 LEU 25 -4.737 10.570 -6.407 179 2HD1 LEU 25 2HD1 LEU 25 -3.941 11.450 -5.102 180 3HD1 LEU 25 3HD1 LEU 25 -5.105 10.178 -4.728 181 1HD2 LEU 25 1HD2 LEU 25 -1.678 10.534 -6.474 182 2HD2 LEU 25 2HD2 LEU 25 -1.063 9.497 -5.187 183 3HD2 LEU 25 3HD2 LEU 25 -1.859 11.020 -4.788 184 H CYS 26 H CYS 26 -2.148 6.559 -2.144 185 HA CYS 26 HA CYS 26 0.687 6.726 -2.727 186 1HB CYS 26 2HB CYS 26 -0.839 5.483 -0.414 187 2HB CYS 26 1HB CYS 26 0.866 5.928 -0.401 188 H ALA 27 H ALA 27 -1.691 4.204 -3.023 189 HA ALA 27 HA ALA 27 0.408 2.112 -3.177 190 1HB ALA 27 1HB ALA 27 -2.088 2.170 -2.064 191 2HB ALA 27 2HB ALA 27 -1.270 0.684 -2.546 192 3HB ALA 27 3HB ALA 27 -2.431 1.444 -3.635 193 H THR 28 H THR 28 -1.523 4.101 -5.078 194 HA THR 28 HA THR 28 -1.448 2.464 -7.519 195 HB THR 28 HB THR 28 -2.580 5.032 -6.527 196 HG1 THR 28 1HG THR 28 -3.886 3.255 -6.693 197 1HG2 THR 28 1HG2 THR 28 -1.413 5.929 -8.430 198 2HG2 THR 28 2HG2 THR 28 -3.107 5.748 -8.886 199 3HG2 THR 28 3HG2 THR 28 -1.915 4.574 -9.442 200 H TYR 29 H TYR 29 0.377 5.001 -5.965 201 HA TYR 29 HA TYR 29 1.966 5.626 -8.364 202 1HB TYR 29 2HB TYR 29 1.266 6.706 -5.749 203 2HB TYR 29 1HB TYR 29 2.988 6.836 -6.065 204 HD1 TYR 29 1HD TYR 29 3.762 7.916 -8.231 205 HD2 TYR 29 2HD TYR 29 -0.298 8.087 -6.853 206 HE1 TYR 29 1HE TYR 29 3.325 9.824 -9.759 207 HE2 TYR 29 2HE TYR 29 -0.740 9.994 -8.380 208 HH TYR 29 HH TYR 29 0.087 11.311 -9.960 209 H THR 30 H THR 30 2.391 4.201 -5.127 210 HA THR 30 HA THR 30 5.190 3.505 -5.628 211 HB THR 30 HB THR 30 3.870 4.129 -3.430 212 HG1 THR 30 1HG THR 30 5.875 2.159 -3.715 213 1HG2 THR 30 1HG2 THR 30 2.351 2.087 -3.816 214 2HG2 THR 30 2HG2 THR 30 3.007 2.313 -2.194 215 3HG2 THR 30 3HG2 THR 30 3.728 1.124 -3.279 216 H GLY 31 H GLY 31 2.196 2.099 -6.427 217 1HA GLY 31 2HA GLY 31 2.148 0.128 -7.872 218 2HA GLY 31 1HA GLY 31 3.586 -0.464 -7.042 219 H CYS 32 H CYS 32 2.706 -0.025 -4.361 220 HA CYS 32 HA CYS 32 1.546 -2.384 -3.571 221 1HB CYS 32 2HB CYS 32 1.261 0.444 -2.552 222 2HB CYS 32 1HB CYS 32 0.560 -0.916 -1.675 223 H ILE 33 H ILE 33 -0.699 -2.954 -2.933 224 HA ILE 33 HA ILE 33 -2.770 -1.534 -4.575 225 HB ILE 33 HB ILE 33 -3.684 -3.755 -5.092 226 1HG1 ILE 33 2HG1 ILE 33 -1.316 -5.084 -3.828 227 2HG1 ILE 33 1HG1 ILE 33 -2.658 -4.608 -2.787 228 1HG2 ILE 33 1HG2 ILE 33 -0.865 -3.041 -5.693 229 2HG2 ILE 33 2HG2 ILE 33 -2.204 -3.362 -6.795 230 3HG2 ILE 33 3HG2 ILE 33 -1.333 -4.703 -6.052 231 1HD1 ILE 33 1HD1 ILE 33 -4.188 -6.001 -3.906 232 2HD1 ILE 33 2HD1 ILE 33 -2.719 -6.977 -3.856 233 3HD1 ILE 33 3HD1 ILE 33 -3.163 -6.128 -5.336 234 H ILE 34 H ILE 34 -4.976 -1.741 -3.662 235 HA ILE 34 HA ILE 34 -5.024 -2.535 -0.776 236 HB ILE 34 HB ILE 34 -6.113 0.019 -2.003 237 1HG1 ILE 34 2HG1 ILE 34 -3.769 -0.310 -0.113 238 2HG1 ILE 34 1HG1 ILE 34 -3.579 -0.206 -1.862 239 1HG2 ILE 34 1HG2 ILE 34 -7.435 -0.572 -0.099 240 2HG2 ILE 34 2HG2 ILE 34 -6.284 0.639 0.465 241 3HG2 ILE 34 3HG2 ILE 34 -6.013 -1.067 0.819 242 1HD1 ILE 34 1HD1 ILE 34 -5.075 1.881 -0.267 243 2HD1 ILE 34 2HD1 ILE 34 -4.496 1.998 -1.928 244 3HD1 ILE 34 3HD1 ILE 34 -3.345 1.995 -0.593 245 H ILE 35 H ILE 35 -6.941 -3.521 -0.158 246 HA ILE 35 HA ILE 35 -9.316 -3.313 -1.929 247 HB ILE 35 HB ILE 35 -9.390 -5.617 -2.407 248 1HG1 ILE 35 2HG1 ILE 35 -8.967 -6.301 -0.006 249 2HG1 ILE 35 1HG1 ILE 35 -8.197 -7.335 -1.206 250 1HG2 ILE 35 1HG2 ILE 35 -6.408 -5.126 -2.273 251 2HG2 ILE 35 2HG2 ILE 35 -7.451 -4.383 -3.485 252 3HG2 ILE 35 3HG2 ILE 35 -7.284 -6.137 -3.421 253 1HD1 ILE 35 1HD1 ILE 35 -6.929 -5.251 0.563 254 2HD1 ILE 35 2HD1 ILE 35 -6.134 -5.794 -0.914 255 3HD1 ILE 35 3HD1 ILE 35 -6.489 -6.947 0.371 256 HA PRO 36 HA PRO 36 -11.142 -3.252 2.083 257 1HB PRO 36 2HB PRO 36 -13.756 -3.454 1.292 258 2HB PRO 36 1HB PRO 36 -12.813 -1.957 1.145 259 1HG PRO 36 2HG PRO 36 -13.499 -3.973 -0.929 260 2HG PRO 36 1HG PRO 36 -13.390 -2.210 -1.057 261 1HD PRO 36 2HD PRO 36 -11.449 -3.925 -1.940 262 2HD PRO 36 1HD PRO 36 -11.136 -2.248 -1.437 263 H GLY 37 H GLY 37 -10.050 -5.605 2.045 264 1HA GLY 37 2HA GLY 37 -12.044 -7.442 3.041 265 2HA GLY 37 1HA GLY 37 -11.439 -7.947 1.464 266 H ALA 38 H ALA 38 -10.212 -9.676 2.050 267 HA ALA 38 HA ALA 38 -7.637 -9.164 3.363 268 1HB ALA 38 1HB ALA 38 -8.059 -10.596 5.258 269 2HB ALA 38 2HB ALA 38 -9.621 -11.087 4.602 270 3HB ALA 38 3HB ALA 38 -9.384 -9.436 5.178 271 H THR 39 H THR 39 -8.941 -10.331 0.862 272 HA THR 39 HA THR 39 -8.068 -13.150 0.935 273 HB THR 39 HB THR 39 -10.159 -11.961 -0.161 274 HG1 THR 39 1HG THR 39 -9.114 -13.802 -1.911 275 1HG2 THR 39 1HG2 THR 39 -8.143 -11.910 -2.414 276 2HG2 THR 39 2HG2 THR 39 -8.731 -10.478 -1.568 277 3HG2 THR 39 3HG2 THR 39 -9.848 -11.464 -2.513 278 H CYS 40 H CYS 40 -6.398 -10.486 0.801 279 HA CYS 40 HA CYS 40 -4.876 -10.336 -1.551 280 1HB CYS 40 2HB CYS 40 -4.659 -9.611 1.265 281 2HB CYS 40 1HB CYS 40 -3.081 -9.990 0.575 282 HA PRO 41 HA PRO 41 -2.713 -14.154 -1.754 283 1HB PRO 41 2HB PRO 41 -0.484 -13.363 -3.131 284 2HB PRO 41 1HB PRO 41 -2.079 -13.544 -3.891 285 1HG PRO 41 2HG PRO 41 -0.688 -11.077 -2.974 286 2HG PRO 41 1HG PRO 41 -1.683 -11.342 -4.415 287 1HD PRO 41 2HD PRO 41 -2.595 -10.083 -2.176 288 2HD PRO 41 1HD PRO 41 -3.645 -10.991 -3.287 289 H GLY 42 H GLY 42 -0.113 -14.776 -1.529 290 1HA GLY 42 2HA GLY 42 0.627 -13.712 1.154 291 2HA GLY 42 1HA GLY 42 1.141 -15.268 0.506 292 H ASP 43 H ASP 43 1.278 -12.764 -1.801 293 HA ASP 43 HA ASP 43 4.238 -12.532 -1.370 294 1HB ASP 43 2HB ASP 43 4.165 -12.124 -3.908 295 2HB ASP 43 1HB ASP 43 3.757 -13.755 -3.375 296 H TYR 44 H TYR 44 1.234 -10.853 -1.726 297 HA TYR 44 HA TYR 44 2.690 -8.234 -1.876 298 1HB TYR 44 2HB TYR 44 -0.148 -9.002 -2.634 299 2HB TYR 44 1HB TYR 44 0.578 -7.410 -2.863 300 HD1 TYR 44 1HD TYR 44 -0.567 -9.378 -5.008 301 HD2 TYR 44 2HD TYR 44 3.393 -8.568 -3.560 302 HE1 TYR 44 1HE TYR 44 0.377 -10.114 -7.180 303 HE2 TYR 44 2HE TYR 44 4.340 -9.302 -5.730 304 HH TYR 44 HH TYR 44 3.860 -10.421 -7.654 305 H ALA 45 H ALA 45 1.341 -10.264 0.317 306 HA ALA 45 HA ALA 45 -0.284 -8.293 1.804 307 1HB ALA 45 1HB ALA 45 0.393 -10.719 3.226 308 2HB ALA 45 2HB ALA 45 -0.058 -11.104 1.565 309 3HB ALA 45 3HB ALA 45 -1.175 -10.212 2.598 310 H ASN 46 H ASN 46 2.608 -7.745 1.369 311 HA ASN 46 HA ASN 46 3.787 -8.113 4.070 312 1HB ASN 46 2HB ASN 46 4.814 -8.357 1.605 313 2HB ASN 46 1HB ASN 46 5.118 -6.635 1.839 314 1HD2 ASN 46 1HD2 ASN 46 5.354 -9.579 3.930 315 2HD2 ASN 46 2HD2 ASN 46 6.902 -9.207 4.519 Start of MODEL 14 1 1H THR 1 1HT THR 1 -8.815 -1.448 2.929 2 2H THR 1 2HT THR 1 -9.115 -3.115 2.793 3 3H THR 1 3HT THR 1 -8.417 -2.266 1.497 4 HA THR 1 HA THR 1 -6.903 -2.011 3.933 5 HB THR 1 HB THR 1 -7.607 -4.686 2.712 6 HG1 THR 1 1HG THR 1 -7.263 -4.157 5.429 7 1HG2 THR 1 1HG2 THR 1 -5.150 -3.880 4.271 8 2HG2 THR 1 2HG2 THR 1 -5.234 -4.763 2.747 9 3HG2 THR 1 3HG2 THR 1 -5.736 -5.543 4.246 10 H THR 2 H THR 2 -4.580 -2.332 3.330 11 HA THR 2 HA THR 2 -4.108 -2.232 0.374 12 HB THR 2 HB THR 2 -2.588 -0.475 2.272 13 HG1 THR 2 1HG THR 2 -5.080 0.243 1.145 14 1HG2 THR 2 1HG2 THR 2 -1.751 -0.119 0.170 15 2HG2 THR 2 2HG2 THR 2 -3.116 0.994 0.076 16 3HG2 THR 2 3HG2 THR 2 -3.245 -0.621 -0.623 17 H CYS 3 H CYS 3 -2.728 -3.895 -0.074 18 HA CYS 3 HA CYS 3 -0.588 -4.545 1.930 19 1HB CYS 3 2HB CYS 3 -2.692 -6.091 0.801 20 2HB CYS 3 1HB CYS 3 -1.187 -6.691 0.102 21 H CYS 4 H CYS 4 1.509 -4.475 1.128 22 HA CYS 4 HA CYS 4 1.818 -3.905 -1.792 23 1HB CYS 4 2HB CYS 4 3.781 -3.519 0.485 24 2HB CYS 4 1HB CYS 4 3.847 -2.788 -1.118 25 HA PRO 5 HA PRO 5 3.793 -7.783 -2.388 26 1HB PRO 5 2HB PRO 5 5.399 -7.172 -4.514 27 2HB PRO 5 1HB PRO 5 3.639 -7.354 -4.652 28 1HG PRO 5 2HG PRO 5 5.277 -4.877 -4.499 29 2HG PRO 5 1HG PRO 5 3.828 -5.217 -5.458 30 1HD PRO 5 2HD PRO 5 3.812 -3.763 -3.145 31 2HD PRO 5 1HD PRO 5 2.413 -4.677 -3.748 32 H SER 6 H SER 6 5.453 -5.051 -1.276 33 HA SER 6 HA SER 6 7.739 -6.735 -0.423 34 1HB SER 6 2HB SER 6 9.223 -4.780 -1.321 35 2HB SER 6 1HB SER 6 8.616 -5.968 -2.470 36 HG SER 6 HG SER 6 7.955 -4.159 -3.394 37 H ILE 7 H ILE 7 8.668 -5.948 1.500 38 HA ILE 7 HA ILE 7 7.195 -4.376 3.290 39 HB ILE 7 HB ILE 7 10.113 -5.053 2.939 40 1HG1 ILE 7 2HG1 ILE 7 9.624 -6.257 5.106 41 2HG1 ILE 7 1HG1 ILE 7 7.936 -5.790 4.914 42 1HG2 ILE 7 1HG2 ILE 7 9.000 -2.915 4.606 43 2HG2 ILE 7 2HG2 ILE 7 10.681 -3.270 4.212 44 3HG2 ILE 7 3HG2 ILE 7 9.890 -4.118 5.541 45 1HD1 ILE 7 1HD1 ILE 7 8.441 -8.085 4.033 46 2HD1 ILE 7 2HD1 ILE 7 9.515 -7.343 2.846 47 3HD1 ILE 7 3HD1 ILE 7 7.787 -6.994 2.813 48 H VAL 8 H VAL 8 9.660 -3.371 0.946 49 HA VAL 8 HA VAL 8 9.797 -0.604 1.709 50 HB VAL 8 HB VAL 8 10.223 -1.953 -0.980 51 1HG1 VAL 8 1HG1 VAL 8 10.344 0.767 -0.207 52 2HG1 VAL 8 2HG1 VAL 8 10.913 0.059 -1.718 53 3HG1 VAL 8 3HG1 VAL 8 12.014 0.219 -0.349 54 1HG2 VAL 8 1HG2 VAL 8 12.423 -1.319 0.954 55 2HG2 VAL 8 2HG2 VAL 8 12.341 -2.588 -0.268 56 3HG2 VAL 8 3HG2 VAL 8 11.444 -2.757 1.241 57 H ALA 9 H ALA 9 7.969 -2.240 -0.904 58 HA ALA 9 HA ALA 9 6.592 -0.042 -1.974 59 1HB ALA 9 1HB ALA 9 4.852 -1.804 -2.505 60 2HB ALA 9 2HB ALA 9 5.746 -2.911 -1.464 61 3HB ALA 9 3HB ALA 9 6.500 -2.272 -2.925 62 H ARG 10 H ARG 10 6.250 -1.570 1.125 63 HA ARG 10 HA ARG 10 3.634 -0.289 1.665 64 1HB ARG 10 2HB ARG 10 3.711 -2.458 2.498 65 2HB ARG 10 1HB ARG 10 5.435 -2.378 2.830 66 1HG ARG 10 2HG ARG 10 4.102 -0.451 4.489 67 2HG ARG 10 1HG ARG 10 3.289 -2.006 4.653 68 1HD ARG 10 2HD ARG 10 6.297 -1.903 4.691 69 2HD ARG 10 1HD ARG 10 5.374 -1.542 6.160 70 HE ARG 10 HE ARG 10 5.124 -4.099 4.620 71 1HH1 ARG 10 1HH2 ARG 10 3.390 -2.484 6.900 72 2HH1 ARG 10 2HH2 ARG 10 3.546 -3.664 8.158 73 1HH2 ARG 10 1HH1 ARG 10 5.962 -5.509 6.486 74 2HH2 ARG 10 2HH1 ARG 10 5.007 -5.377 7.924 75 H SER 11 H SER 11 7.046 -0.140 2.583 76 HA SER 11 HA SER 11 6.895 1.721 4.723 77 1HB SER 11 2HB SER 11 8.827 0.399 3.215 78 2HB SER 11 1HB SER 11 9.133 2.097 2.864 79 HG SER 11 HG SER 11 10.136 1.084 4.823 80 H ASN 12 H ASN 12 7.248 2.285 1.201 81 HA ASN 12 HA ASN 12 7.075 5.184 1.466 82 1HB ASN 12 2HB ASN 12 6.881 4.977 -1.056 83 2HB ASN 12 1HB ASN 12 8.290 4.178 -0.362 84 1HD2 ASN 12 1HD2 ASN 12 7.720 3.121 -2.734 85 2HD2 ASN 12 2HD2 ASN 12 6.856 1.666 -2.625 86 H PHE 13 H PHE 13 4.809 2.555 0.703 87 HA PHE 13 HA PHE 13 2.578 4.081 -0.163 88 1HB PHE 13 2HB PHE 13 2.433 1.750 -0.386 89 2HB PHE 13 1HB PHE 13 3.047 1.459 1.238 90 HD1 PHE 13 1HD PHE 13 0.140 3.142 -0.449 91 HD2 PHE 13 2HD PHE 13 1.531 0.799 2.871 92 HE1 PHE 13 1HE PHE 13 -2.183 2.969 0.403 93 HE2 PHE 13 2HE PHE 13 -0.791 0.626 3.723 94 HZ PHE 13 HZ PHE 13 -2.648 1.709 2.489 95 H ASN 14 H ASN 14 3.628 3.183 3.124 96 HA ASN 14 HA ASN 14 1.416 4.556 4.441 97 1HB ASN 14 2HB ASN 14 3.921 3.089 5.137 98 2HB ASN 14 1HB ASN 14 3.291 4.199 6.356 99 1HD2 ASN 14 1HD2 ASN 14 3.276 1.346 6.754 100 2HD2 ASN 14 2HD2 ASN 14 1.660 0.826 6.781 101 H VAL 15 H VAL 15 4.458 5.427 3.103 102 HA VAL 15 HA VAL 15 4.942 7.803 4.716 103 HB VAL 15 HB VAL 15 6.244 6.129 2.847 104 1HG1 VAL 15 1HG1 VAL 15 5.360 7.865 1.151 105 2HG1 VAL 15 2HG1 VAL 15 7.085 7.507 1.122 106 3HG1 VAL 15 3HG1 VAL 15 6.504 8.981 1.897 107 1HG2 VAL 15 1HG2 VAL 15 7.210 8.695 4.122 108 2HG2 VAL 15 2HG2 VAL 15 8.219 7.367 3.547 109 3HG2 VAL 15 3HG2 VAL 15 7.145 7.127 4.925 110 H CYS 16 H CYS 16 3.067 7.014 1.899 111 HA CYS 16 HA CYS 16 2.763 9.846 1.084 112 1HB CYS 16 2HB CYS 16 3.042 8.328 -0.704 113 2HB CYS 16 1HB CYS 16 1.985 7.127 0.036 114 H ARG 17 H ARG 17 1.064 7.414 2.933 115 HA ARG 17 HA ARG 17 -1.524 8.835 2.767 116 1HB ARG 17 2HB ARG 17 -1.413 6.383 2.743 117 2HB ARG 17 1HB ARG 17 -0.543 6.390 4.277 118 1HG ARG 17 2HG ARG 17 -2.456 6.602 5.456 119 2HG ARG 17 1HG ARG 17 -3.009 7.933 4.438 120 1HD ARG 17 2HD ARG 17 -3.742 6.294 2.717 121 2HD ARG 17 1HD ARG 17 -3.254 4.974 3.796 122 HE ARG 17 HE ARG 17 -5.475 6.889 4.324 123 1HH1 ARG 17 1HH1 ARG 17 -5.069 3.694 4.179 124 2HH1 ARG 17 2HH1 ARG 17 -5.502 3.321 5.814 125 1HH2 ARG 17 1HH2 ARG 17 -5.390 6.620 6.876 126 2HH2 ARG 17 2HH2 ARG 17 -5.683 4.978 7.341 127 H LEU 18 H LEU 18 1.253 9.496 4.328 128 HA LEU 18 HA LEU 18 0.325 9.853 7.064 129 1HB LEU 18 2HB LEU 18 2.725 9.814 5.547 130 2HB LEU 18 1HB LEU 18 2.650 11.378 6.353 131 HG LEU 18 HG LEU 18 2.429 8.650 7.641 132 1HD1 LEU 18 1HD1 LEU 18 4.696 9.807 6.984 133 2HD1 LEU 18 2HD1 LEU 18 4.521 9.090 8.585 134 3HD1 LEU 18 3HD1 LEU 18 4.359 10.833 8.379 135 1HD2 LEU 18 1HD2 LEU 18 1.343 9.605 9.373 136 2HD2 LEU 18 2HD2 LEU 18 1.207 11.088 8.427 137 3HD2 LEU 18 3HD2 LEU 18 2.586 10.850 9.499 138 HA PRO 19 HA PRO 19 0.295 14.431 5.651 139 1HB PRO 19 2HB PRO 19 0.042 14.931 2.972 140 2HB PRO 19 1HB PRO 19 1.610 14.796 3.794 141 1HG PRO 19 2HG PRO 19 0.184 12.815 2.105 142 2HG PRO 19 1HG PRO 19 1.917 13.144 2.246 143 1HD PRO 19 2HD PRO 19 0.641 11.031 3.429 144 2HD PRO 19 1HD PRO 19 2.168 11.723 4.012 145 H GLY 20 H GLY 20 -1.641 11.940 4.215 146 1HA GLY 20 2HA GLY 20 -4.069 12.185 5.008 147 2HA GLY 20 1HA GLY 20 -4.003 13.776 4.252 148 H THR 21 H THR 21 -2.260 11.291 2.617 149 HA THR 21 HA THR 21 -4.024 11.475 0.332 150 HB THR 21 HB THR 21 -1.676 9.643 0.808 151 HG1 THR 21 1HG THR 21 -0.386 11.358 0.112 152 1HG2 THR 21 1HG2 THR 21 -2.899 9.220 -1.233 153 2HG2 THR 21 2HG2 THR 21 -1.385 10.019 -1.654 154 3HG2 THR 21 3HG2 THR 21 -2.889 10.935 -1.644 155 HA PRO 22 HA PRO 22 -6.281 7.844 1.331 156 1HB PRO 22 2HB PRO 22 -7.232 7.338 -1.189 157 2HB PRO 22 1HB PRO 22 -7.878 8.613 -0.143 158 1HG PRO 22 2HG PRO 22 -5.999 8.820 -2.437 159 2HG PRO 22 1HG PRO 22 -7.283 9.929 -1.927 160 1HD PRO 22 2HD PRO 22 -4.612 10.337 -1.412 161 2HD PRO 22 1HD PRO 22 -5.916 11.012 -0.436 162 H GLU 23 H GLU 23 -5.233 5.986 1.658 163 HA GLU 23 HA GLU 23 -2.896 4.975 0.692 164 1HB GLU 23 2HB GLU 23 -3.849 2.735 1.218 165 2HB GLU 23 1HB GLU 23 -4.295 3.941 2.427 166 1HG GLU 23 2HG GLU 23 -6.453 4.293 1.205 167 2HG GLU 23 1HG GLU 23 -6.014 2.965 0.129 168 H ALA 24 H ALA 24 -5.918 5.072 -1.106 169 HA ALA 24 HA ALA 24 -5.281 3.159 -3.137 170 1HB ALA 24 1HB ALA 24 -6.856 5.316 -4.156 171 2HB ALA 24 2HB ALA 24 -7.296 5.082 -2.465 172 3HB ALA 24 3HB ALA 24 -7.415 3.738 -3.600 173 H LEU 25 H LEU 25 -4.732 6.701 -2.929 174 HA LEU 25 HA LEU 25 -3.460 6.826 -5.545 175 1HB LEU 25 2HB LEU 25 -4.514 8.538 -3.561 176 2HB LEU 25 1HB LEU 25 -2.814 8.972 -3.720 177 HG LEU 25 HG LEU 25 -3.727 8.563 -6.347 178 1HD1 LEU 25 1HD1 LEU 25 -6.036 8.697 -5.570 179 2HD1 LEU 25 2HD1 LEU 25 -5.637 10.174 -6.447 180 3HD1 LEU 25 3HD1 LEU 25 -5.683 10.181 -4.684 181 1HD2 LEU 25 1HD2 LEU 25 -3.048 10.957 -4.644 182 2HD2 LEU 25 2HD2 LEU 25 -3.546 11.167 -6.323 183 3HD2 LEU 25 3HD2 LEU 25 -2.105 10.223 -5.941 184 H CYS 26 H CYS 26 -2.409 6.077 -2.306 185 HA CYS 26 HA CYS 26 0.432 6.634 -2.871 186 1HB CYS 26 2HB CYS 26 -0.990 5.303 -0.543 187 2HB CYS 26 1HB CYS 26 0.693 5.830 -0.550 188 H ALA 27 H ALA 27 -1.755 4.053 -3.390 189 HA ALA 27 HA ALA 27 0.411 2.026 -3.341 190 1HB ALA 27 1HB ALA 27 -1.358 0.918 -2.415 191 2HB ALA 27 2HB ALA 27 -1.947 0.778 -4.071 192 3HB ALA 27 3HB ALA 27 -2.508 2.099 -3.045 193 H THR 28 H THR 28 -1.426 3.969 -5.381 194 HA THR 28 HA THR 28 -0.878 2.409 -7.832 195 HB THR 28 HB THR 28 -2.461 4.833 -7.010 196 HG1 THR 28 1HG THR 28 -2.880 2.292 -8.049 197 1HG2 THR 28 1HG2 THR 28 -1.589 5.761 -8.953 198 2HG2 THR 28 2HG2 THR 28 -3.016 4.926 -9.569 199 3HG2 THR 28 3HG2 THR 28 -1.421 4.194 -9.746 200 H TYR 29 H TYR 29 0.352 5.088 -5.990 201 HA TYR 29 HA TYR 29 2.062 6.038 -8.234 202 1HB TYR 29 2HB TYR 29 0.914 7.720 -6.934 203 2HB TYR 29 1HB TYR 29 1.449 6.994 -5.421 204 HD1 TYR 29 1HD TYR 29 3.469 7.486 -8.507 205 HD2 TYR 29 2HD TYR 29 2.736 8.758 -4.472 206 HE1 TYR 29 1HE TYR 29 5.529 8.865 -8.570 207 HE2 TYR 29 2HE TYR 29 4.796 10.139 -4.533 208 HH TYR 29 HH TYR 29 6.414 10.904 -7.378 209 H THR 30 H THR 30 2.158 4.281 -5.206 210 HA THR 30 HA THR 30 5.128 4.202 -5.276 211 HB THR 30 HB THR 30 3.427 4.678 -3.264 212 HG1 THR 30 1HG THR 30 5.747 4.658 -3.250 213 1HG2 THR 30 1HG2 THR 30 3.930 1.704 -3.063 214 2HG2 THR 30 2HG2 THR 30 2.380 2.419 -3.505 215 3HG2 THR 30 3HG2 THR 30 3.064 2.712 -1.905 216 H GLY 31 H GLY 31 2.404 2.319 -6.205 217 1HA GLY 31 2HA GLY 31 2.901 0.349 -7.628 218 2HA GLY 31 1HA GLY 31 4.213 -0.043 -6.522 219 H CYS 32 H CYS 32 2.727 0.364 -4.070 220 HA CYS 32 HA CYS 32 1.720 -2.170 -3.521 221 1HB CYS 32 2HB CYS 32 2.154 -0.079 -2.041 222 2HB CYS 32 1HB CYS 32 0.473 0.332 -2.383 223 H ILE 33 H ILE 33 -0.739 -2.576 -2.917 224 HA ILE 33 HA ILE 33 -2.522 -1.462 -5.046 225 HB ILE 33 HB ILE 33 -3.180 -3.699 -5.662 226 1HG1 ILE 33 2HG1 ILE 33 -1.341 -4.720 -3.477 227 2HG1 ILE 33 1HG1 ILE 33 -3.087 -4.559 -3.282 228 1HG2 ILE 33 1HG2 ILE 33 -1.117 -4.573 -6.538 229 2HG2 ILE 33 2HG2 ILE 33 -0.179 -3.786 -5.269 230 3HG2 ILE 33 3HG2 ILE 33 -0.961 -2.816 -6.516 231 1HD1 ILE 33 1HD1 ILE 33 -1.560 -6.400 -5.112 232 2HD1 ILE 33 2HD1 ILE 33 -3.230 -5.960 -5.473 233 3HD1 ILE 33 3HD1 ILE 33 -2.843 -6.795 -3.968 234 H ILE 34 H ILE 34 -4.796 -1.605 -4.498 235 HA ILE 34 HA ILE 34 -5.282 -1.829 -1.559 236 HB ILE 34 HB ILE 34 -7.060 -0.674 -3.721 237 1HG1 ILE 34 2HG1 ILE 34 -4.745 0.331 -3.732 238 2HG1 ILE 34 1HG1 ILE 34 -6.025 1.472 -3.325 239 1HG2 ILE 34 1HG2 ILE 34 -8.141 -1.047 -1.563 240 2HG2 ILE 34 2HG2 ILE 34 -7.888 0.684 -1.793 241 3HG2 ILE 34 3HG2 ILE 34 -6.818 -0.229 -0.730 242 1HD1 ILE 34 1HD1 ILE 34 -5.103 1.872 -1.312 243 2HD1 ILE 34 2HD1 ILE 34 -3.734 0.869 -1.791 244 3HD1 ILE 34 3HD1 ILE 34 -5.097 0.149 -0.933 245 H ILE 35 H ILE 35 -7.506 -2.744 -0.998 246 HA ILE 35 HA ILE 35 -8.668 -4.639 -2.940 247 HB ILE 35 HB ILE 35 -8.181 -6.558 -1.348 248 1HG1 ILE 35 2HG1 ILE 35 -6.172 -4.605 -0.190 249 2HG1 ILE 35 1HG1 ILE 35 -7.700 -5.008 0.595 250 1HG2 ILE 35 1HG2 ILE 35 -5.976 -6.931 -2.217 251 2HG2 ILE 35 2HG2 ILE 35 -5.678 -5.201 -2.374 252 3HG2 ILE 35 3HG2 ILE 35 -6.838 -5.995 -3.438 253 1HD1 ILE 35 1HD1 ILE 35 -7.037 -7.414 0.563 254 2HD1 ILE 35 2HD1 ILE 35 -5.932 -6.420 1.511 255 3HD1 ILE 35 3HD1 ILE 35 -5.475 -6.946 -0.109 256 HA PRO 36 HA PRO 36 -12.143 -3.669 -0.405 257 1HB PRO 36 2HB PRO 36 -13.838 -5.627 -1.294 258 2HB PRO 36 1HB PRO 36 -13.446 -4.184 -2.249 259 1HG PRO 36 2HG PRO 36 -12.381 -6.951 -2.480 260 2HG PRO 36 1HG PRO 36 -12.772 -5.780 -3.750 261 1HD PRO 36 2HD PRO 36 -10.229 -6.295 -2.891 262 2HD PRO 36 1HD PRO 36 -10.738 -4.749 -3.605 263 H GLY 37 H GLY 37 -10.440 -6.668 -0.342 264 1HA GLY 37 2HA GLY 37 -11.938 -7.619 2.042 265 2HA GLY 37 1HA GLY 37 -10.771 -8.567 1.122 266 H ALA 38 H ALA 38 -9.325 -9.044 2.744 267 HA ALA 38 HA ALA 38 -7.407 -7.018 3.517 268 1HB ALA 38 1HB ALA 38 -9.327 -8.005 5.639 269 2HB ALA 38 2HB ALA 38 -9.440 -6.428 4.856 270 3HB ALA 38 3HB ALA 38 -8.039 -6.821 5.854 271 H THR 39 H THR 39 -7.752 -9.936 2.647 272 HA THR 39 HA THR 39 -6.416 -11.365 4.852 273 HB THR 39 HB THR 39 -8.359 -12.261 3.483 274 HG1 THR 39 1HG THR 39 -7.354 -13.848 4.500 275 1HG2 THR 39 1HG2 THR 39 -6.189 -12.649 1.416 276 2HG2 THR 39 2HG2 THR 39 -7.397 -11.366 1.334 277 3HG2 THR 39 3HG2 THR 39 -7.900 -13.055 1.261 278 H CYS 40 H CYS 40 -5.658 -9.740 2.016 279 HA CYS 40 HA CYS 40 -3.660 -9.444 0.791 280 1HB CYS 40 2HB CYS 40 -2.813 -10.241 3.576 281 2HB CYS 40 1HB CYS 40 -1.629 -9.805 2.345 282 HA PRO 41 HA PRO 41 -3.026 -13.608 -0.700 283 1HB PRO 41 2HB PRO 41 -1.633 -12.893 -2.948 284 2HB PRO 41 1HB PRO 41 -3.400 -12.786 -2.827 285 1HG PRO 41 2HG PRO 41 -1.351 -10.643 -2.564 286 2HG PRO 41 1HG PRO 41 -2.946 -10.593 -3.331 287 1HD PRO 41 2HD PRO 41 -2.439 -9.561 -0.861 288 2HD PRO 41 1HD PRO 41 -4.029 -10.182 -1.355 289 H GLY 42 H GLY 42 -0.770 -14.528 -1.869 290 1HA GLY 42 2HA GLY 42 1.236 -14.231 0.270 291 2HA GLY 42 1HA GLY 42 1.271 -15.430 -1.023 292 H ASP 43 H ASP 43 0.641 -12.896 -2.817 293 HA ASP 43 HA ASP 43 3.520 -12.323 -3.317 294 1HB ASP 43 2HB ASP 43 1.126 -12.732 -4.851 295 2HB ASP 43 1HB ASP 43 1.771 -11.132 -5.226 296 H TYR 44 H TYR 44 0.666 -10.849 -2.022 297 HA TYR 44 HA TYR 44 2.005 -8.165 -2.100 298 1HB TYR 44 2HB TYR 44 -0.942 -8.829 -1.852 299 2HB TYR 44 1HB TYR 44 -0.234 -7.244 -2.168 300 HD1 TYR 44 1HD TYR 44 -2.266 -8.945 -3.877 301 HD2 TYR 44 2HD TYR 44 1.974 -8.297 -4.062 302 HE1 TYR 44 1HE TYR 44 -2.303 -9.413 -6.311 303 HE2 TYR 44 2HE TYR 44 1.940 -8.766 -6.498 304 HH TYR 44 HH TYR 44 0.692 -9.296 -8.249 305 H ALA 45 H ALA 45 1.945 -10.571 -0.080 306 HA ALA 45 HA ALA 45 0.719 -9.308 2.294 307 1HB ALA 45 1HB ALA 45 2.163 -11.559 3.065 308 2HB ALA 45 2HB ALA 45 1.691 -11.926 1.406 309 3HB ALA 45 3HB ALA 45 0.461 -11.542 2.609 310 H ASN 46 H ASN 46 3.023 -7.978 0.955 311 HA ASN 46 HA ASN 46 5.030 -8.143 3.182 312 1HB ASN 46 2HB ASN 46 5.201 -8.265 0.278 313 2HB ASN 46 1HB ASN 46 6.211 -6.970 0.922 314 1HD2 ASN 46 1HD2 ASN 46 5.446 -9.974 2.684 315 2HD2 ASN 46 2HD2 ASN 46 7.035 -10.571 2.689 Start of MODEL 15 1 1H THR 1 1HT THR 1 -7.814 -3.478 5.149 2 2H THR 1 2HT THR 1 -6.719 -2.334 4.533 3 3H THR 1 3HT THR 1 -6.388 -3.128 5.998 4 HA THR 1 HA THR 1 -5.576 -4.961 4.992 5 HB THR 1 HB THR 1 -7.524 -4.533 2.720 6 HG1 THR 1 1HG THR 1 -9.081 -4.922 4.047 7 1HG2 THR 1 1HG2 THR 1 -6.263 -6.976 3.997 8 2HG2 THR 1 2HG2 THR 1 -5.885 -6.309 2.408 9 3HG2 THR 1 3HG2 THR 1 -7.466 -7.029 2.709 10 H THR 2 H THR 2 -3.548 -4.471 4.242 11 HA THR 2 HA THR 2 -3.332 -2.862 1.717 12 HB THR 2 HB THR 2 -1.804 -2.784 4.322 13 HG1 THR 2 1HG THR 2 -2.233 -0.473 3.830 14 1HG2 THR 2 1HG2 THR 2 0.055 -2.626 2.992 15 2HG2 THR 2 2HG2 THR 2 -0.501 -0.960 2.822 16 3HG2 THR 2 3HG2 THR 2 -0.876 -2.147 1.572 17 H CYS 3 H CYS 3 -2.158 -3.894 0.123 18 HA CYS 3 HA CYS 3 -0.499 -6.260 0.944 19 1HB CYS 3 2HB CYS 3 -1.839 -5.790 -1.726 20 2HB CYS 3 1HB CYS 3 -1.216 -7.303 -1.082 21 H CYS 4 H CYS 4 1.662 -5.967 0.551 22 HA CYS 4 HA CYS 4 2.478 -4.304 -1.798 23 1HB CYS 4 2HB CYS 4 3.446 -4.191 1.075 24 2HB CYS 4 1HB CYS 4 4.266 -3.381 -0.260 25 HA PRO 5 HA PRO 5 5.124 -7.731 -2.581 26 1HB PRO 5 2HB PRO 5 7.153 -6.478 -3.935 27 2HB PRO 5 1HB PRO 5 5.559 -6.799 -4.649 28 1HG PRO 5 2HG PRO 5 6.627 -4.280 -3.463 29 2HG PRO 5 1HG PRO 5 5.642 -4.514 -4.917 30 1HD PRO 5 2HD PRO 5 4.592 -3.672 -2.570 31 2HD PRO 5 1HD PRO 5 3.677 -4.661 -3.728 32 H SER 6 H SER 6 5.995 -5.131 -0.558 33 HA SER 6 HA SER 6 7.831 -6.739 0.989 34 1HB SER 6 2HB SER 6 8.844 -4.853 -1.107 35 2HB SER 6 1HB SER 6 9.755 -5.003 0.392 36 HG SER 6 HG SER 6 10.490 -6.804 -0.378 37 H ILE 7 H ILE 7 8.652 -5.499 2.861 38 HA ILE 7 HA ILE 7 6.820 -3.764 4.085 39 HB ILE 7 HB ILE 7 9.812 -4.151 4.328 40 1HG1 ILE 7 2HG1 ILE 7 7.881 -4.852 6.466 41 2HG1 ILE 7 1HG1 ILE 7 7.762 -5.801 4.986 42 1HG2 ILE 7 1HG2 ILE 7 7.962 -2.492 6.067 43 2HG2 ILE 7 2HG2 ILE 7 9.355 -1.911 5.157 44 3HG2 ILE 7 3HG2 ILE 7 9.588 -2.982 6.538 45 1HD1 ILE 7 1HD1 ILE 7 9.344 -6.776 6.684 46 2HD1 ILE 7 2HD1 ILE 7 10.351 -5.341 6.493 47 3HD1 ILE 7 3HD1 ILE 7 10.098 -6.429 5.128 48 H VAL 8 H VAL 8 9.664 -2.963 2.116 49 HA VAL 8 HA VAL 8 9.641 -0.144 2.361 50 HB VAL 8 HB VAL 8 10.315 -1.973 0.034 51 1HG1 VAL 8 1HG1 VAL 8 10.317 0.927 0.278 52 2HG1 VAL 8 2HG1 VAL 8 10.616 -0.074 -1.144 53 3HG1 VAL 8 3HG1 VAL 8 11.938 0.306 -0.041 54 1HG2 VAL 8 1HG2 VAL 8 12.355 -2.296 1.027 55 2HG2 VAL 8 2HG2 VAL 8 11.449 -1.941 2.497 56 3HG2 VAL 8 3HG2 VAL 8 12.391 -0.672 1.715 57 H ALA 9 H ALA 9 8.180 -2.072 -0.296 58 HA ALA 9 HA ALA 9 6.815 -0.078 -1.673 59 1HB ALA 9 1HB ALA 9 6.367 -2.071 -2.680 60 2HB ALA 9 2HB ALA 9 5.022 -2.204 -1.547 61 3HB ALA 9 3HB ALA 9 6.570 -2.958 -1.169 62 H ARG 10 H ARG 10 5.653 -1.865 1.190 63 HA ARG 10 HA ARG 10 3.181 -0.415 1.454 64 1HB ARG 10 2HB ARG 10 3.125 -2.426 2.549 65 2HB ARG 10 1HB ARG 10 4.855 -2.421 2.844 66 1HG ARG 10 2HG ARG 10 4.039 -0.431 4.544 67 2HG ARG 10 1HG ARG 10 2.646 -1.507 4.577 68 1HD ARG 10 2HD ARG 10 5.374 -2.728 4.771 69 2HD ARG 10 1HD ARG 10 4.693 -1.934 6.200 70 HE ARG 10 HE ARG 10 3.592 -4.332 4.874 71 1HH1 ARG 10 1HH2 ARG 10 3.992 -2.945 7.820 72 2HH1 ARG 10 2HH2 ARG 10 2.366 -3.158 8.378 73 1HH2 ARG 10 1HH1 ARG 10 1.139 -4.094 5.274 74 2HH2 ARG 10 2HH1 ARG 10 0.751 -3.810 6.938 75 H SER 11 H SER 11 6.415 -0.083 2.888 76 HA SER 11 HA SER 11 5.977 1.907 4.809 77 1HB SER 11 2HB SER 11 8.122 0.713 3.395 78 2HB SER 11 1HB SER 11 8.348 2.454 3.248 79 HG SER 11 HG SER 11 8.961 0.998 5.292 80 H ASN 12 H ASN 12 6.751 2.438 1.342 81 HA ASN 12 HA ASN 12 6.478 5.278 1.357 82 1HB ASN 12 2HB ASN 12 5.702 3.470 -0.940 83 2HB ASN 12 1HB ASN 12 6.485 5.047 -1.012 84 1HD2 ASN 12 1HD2 ASN 12 7.361 2.253 -1.980 85 2HD2 ASN 12 2HD2 ASN 12 8.917 2.065 -1.333 86 H PHE 13 H PHE 13 4.112 2.823 0.266 87 HA PHE 13 HA PHE 13 1.892 4.420 -0.240 88 1HB PHE 13 2HB PHE 13 1.790 2.104 -0.685 89 2HB PHE 13 1HB PHE 13 2.315 1.677 0.940 90 HD1 PHE 13 1HD PHE 13 -0.211 4.293 0.377 91 HD2 PHE 13 2HD PHE 13 0.439 0.149 1.299 92 HE1 PHE 13 1HE PHE 13 -2.570 4.078 1.099 93 HE2 PHE 13 2HE PHE 13 -1.926 -0.062 2.014 94 HZ PHE 13 HZ PHE 13 -3.431 1.904 1.914 95 H ASN 14 H ASN 14 3.091 3.310 2.920 96 HA ASN 14 HA ASN 14 0.860 4.549 4.381 97 1HB ASN 14 2HB ASN 14 3.452 3.160 5.101 98 2HB ASN 14 1HB ASN 14 2.372 3.824 6.327 99 1HD2 ASN 14 1HD2 ASN 14 2.956 1.081 4.349 100 2HD2 ASN 14 2HD2 ASN 14 1.489 0.277 4.637 101 H VAL 15 H VAL 15 4.033 5.443 3.285 102 HA VAL 15 HA VAL 15 4.281 7.707 5.161 103 HB VAL 15 HB VAL 15 5.922 6.079 3.425 104 1HG1 VAL 15 1HG1 VAL 15 7.478 7.943 2.704 105 2HG1 VAL 15 2HG1 VAL 15 6.170 9.072 3.056 106 3HG1 VAL 15 3HG1 VAL 15 5.965 7.848 1.803 107 1HG2 VAL 15 1HG2 VAL 15 6.631 8.211 5.452 108 2HG2 VAL 15 2HG2 VAL 15 7.691 6.920 4.885 109 3HG2 VAL 15 3HG2 VAL 15 6.257 6.530 5.835 110 H CYS 16 H CYS 16 3.046 7.054 1.999 111 HA CYS 16 HA CYS 16 3.171 9.848 1.080 112 1HB CYS 16 2HB CYS 16 3.433 8.267 -0.625 113 2HB CYS 16 1HB CYS 16 2.228 7.182 0.063 114 H ARG 17 H ARG 17 0.792 7.648 2.510 115 HA ARG 17 HA ARG 17 -1.417 9.573 2.161 116 1HB ARG 17 2HB ARG 17 -2.008 7.290 1.906 117 2HB ARG 17 1HB ARG 17 -1.033 6.799 3.292 118 1HG ARG 17 2HG ARG 17 -2.576 7.737 4.842 119 2HG ARG 17 1HG ARG 17 -3.416 8.634 3.576 120 1HD ARG 17 2HD ARG 17 -3.892 6.277 2.547 121 2HD ARG 17 1HD ARG 17 -3.525 5.686 4.180 122 HE ARG 17 HE ARG 17 -5.783 7.461 3.455 123 1HH1 ARG 17 1HH1 ARG 17 -4.066 8.045 6.034 124 2HH1 ARG 17 2HH1 ARG 17 -5.102 7.334 7.227 125 1HH2 ARG 17 1HH2 ARG 17 -7.035 5.625 4.911 126 2HH2 ARG 17 2HH2 ARG 17 -6.782 5.965 6.590 127 H LEU 18 H LEU 18 1.185 9.544 4.100 128 HA LEU 18 HA LEU 18 0.215 9.719 6.769 129 1HB LEU 18 2HB LEU 18 2.602 9.972 5.253 130 2HB LEU 18 1HB LEU 18 2.464 11.427 6.233 131 HG LEU 18 HG LEU 18 2.364 8.564 7.212 132 1HD1 LEU 18 1HD1 LEU 18 4.498 10.387 6.791 133 2HD1 LEU 18 2HD1 LEU 18 4.563 8.826 7.608 134 3HD1 LEU 18 3HD1 LEU 18 4.250 10.294 8.534 135 1HD2 LEU 18 1HD2 LEU 18 1.602 11.171 8.473 136 2HD2 LEU 18 2HD2 LEU 18 2.415 9.971 9.477 137 3HD2 LEU 18 3HD2 LEU 18 0.890 9.573 8.688 138 HA PRO 19 HA PRO 19 -0.047 14.422 5.957 139 1HB PRO 19 2HB PRO 19 -0.065 15.289 3.366 140 2HB PRO 19 1HB PRO 19 1.418 15.112 4.322 141 1HG PRO 19 2HG PRO 19 0.302 13.342 2.222 142 2HG PRO 19 1HG PRO 19 1.987 13.710 2.615 143 1HD PRO 19 2HD PRO 19 0.680 11.399 3.332 144 2HD PRO 19 1HD PRO 19 2.119 12.037 4.152 145 H GLY 20 H GLY 20 -1.446 13.407 2.829 146 1HA GLY 20 2HA GLY 20 -4.101 13.097 3.958 147 2HA GLY 20 1HA GLY 20 -3.917 14.637 3.118 148 H THR 21 H THR 21 -2.105 11.873 1.979 149 HA THR 21 HA THR 21 -3.467 12.041 -0.581 150 HB THR 21 HB THR 21 -1.425 10.027 0.355 151 HG1 THR 21 1HG THR 21 -1.142 12.724 -0.437 152 1HG2 THR 21 1HG2 THR 21 -2.153 11.220 -2.331 153 2HG2 THR 21 2HG2 THR 21 -2.406 9.555 -1.808 154 3HG2 THR 21 3HG2 THR 21 -0.772 10.161 -2.066 155 HA PRO 22 HA PRO 22 -6.245 8.750 0.297 156 1HB PRO 22 2HB PRO 22 -6.944 8.221 -2.294 157 2HB PRO 22 1HB PRO 22 -7.550 9.621 -1.392 158 1HG PRO 22 2HG PRO 22 -5.404 9.478 -3.444 159 2HG PRO 22 1HG PRO 22 -6.591 10.757 -3.140 160 1HD PRO 22 2HD PRO 22 -3.960 10.864 -2.316 161 2HD PRO 22 1HD PRO 22 -5.275 11.758 -1.553 162 H GLU 23 H GLU 23 -5.425 6.826 0.835 163 HA GLU 23 HA GLU 23 -3.136 5.526 0.181 164 1HB GLU 23 2HB GLU 23 -4.303 3.458 0.790 165 2HB GLU 23 1HB GLU 23 -4.920 4.787 1.771 166 1HG GLU 23 2HG GLU 23 -6.752 5.061 0.017 167 2HG GLU 23 1HG GLU 23 -6.218 3.517 -0.649 168 H ALA 24 H ALA 24 -5.915 5.810 -1.960 169 HA ALA 24 HA ALA 24 -5.266 3.741 -3.823 170 1HB ALA 24 1HB ALA 24 -6.934 6.166 -3.632 171 2HB ALA 24 2HB ALA 24 -7.330 4.585 -4.305 172 3HB ALA 24 3HB ALA 24 -6.450 5.762 -5.280 173 H LEU 25 H LEU 25 -4.284 7.189 -3.652 174 HA LEU 25 HA LEU 25 -2.726 7.122 -6.082 175 1HB LEU 25 2HB LEU 25 -3.578 8.882 -3.955 176 2HB LEU 25 1HB LEU 25 -1.879 9.143 -4.317 177 HG LEU 25 HG LEU 25 -3.245 10.567 -5.739 178 1HD1 LEU 25 1HD1 LEU 25 -2.175 10.081 -7.766 179 2HD1 LEU 25 2HD1 LEU 25 -2.373 8.341 -7.559 180 3HD1 LEU 25 3HD1 LEU 25 -1.169 9.211 -6.608 181 1HD2 LEU 25 1HD2 LEU 25 -5.328 9.371 -5.766 182 2HD2 LEU 25 2HD2 LEU 25 -4.568 7.950 -6.485 183 3HD2 LEU 25 3HD2 LEU 25 -4.757 9.424 -7.434 184 H CYS 26 H CYS 26 -1.946 6.838 -2.609 185 HA CYS 26 HA CYS 26 0.907 6.741 -2.913 186 1HB CYS 26 2HB CYS 26 -0.926 5.604 -0.778 187 2HB CYS 26 1HB CYS 26 0.796 5.925 -0.587 188 H ALA 27 H ALA 27 -1.579 4.295 -3.321 189 HA ALA 27 HA ALA 27 0.473 2.150 -3.335 190 1HB ALA 27 1HB ALA 27 -2.328 2.400 -2.697 191 2HB ALA 27 2HB ALA 27 -1.259 1.029 -2.397 192 3HB ALA 27 3HB ALA 27 -2.115 1.160 -3.934 193 H THR 28 H THR 28 -0.988 4.279 -5.383 194 HA THR 28 HA THR 28 -0.983 2.549 -7.780 195 HB THR 28 HB THR 28 -1.939 5.249 -6.924 196 HG1 THR 28 1HG THR 28 -3.281 3.397 -7.063 197 1HG2 THR 28 1HG2 THR 28 -2.332 5.869 -9.324 198 2HG2 THR 28 2HG2 THR 28 -1.267 4.540 -9.787 199 3HG2 THR 28 3HG2 THR 28 -0.635 5.893 -8.848 200 H TYR 29 H TYR 29 0.951 4.934 -6.129 201 HA TYR 29 HA TYR 29 2.757 5.308 -8.459 202 1HB TYR 29 2HB TYR 29 2.080 7.265 -7.183 203 2HB TYR 29 1HB TYR 29 2.564 6.497 -5.671 204 HD1 TYR 29 1HD TYR 29 4.552 6.036 -8.720 205 HD2 TYR 29 2HD TYR 29 4.115 8.333 -5.115 206 HE1 TYR 29 1HE TYR 29 6.850 6.927 -9.006 207 HE2 TYR 29 2HE TYR 29 6.412 9.223 -5.403 208 HH TYR 29 HH TYR 29 8.531 8.036 -7.973 209 H THR 30 H THR 30 2.633 3.821 -5.250 210 HA THR 30 HA THR 30 5.463 2.958 -5.471 211 HB THR 30 HB THR 30 4.087 3.928 -3.416 212 HG1 THR 30 1HG THR 30 6.315 2.809 -3.691 213 1HG2 THR 30 1HG2 THR 30 3.056 2.318 -2.041 214 2HG2 THR 30 2HG2 THR 30 3.749 0.974 -2.949 215 3HG2 THR 30 3HG2 THR 30 2.462 1.947 -3.659 216 H GLY 31 H GLY 31 2.356 1.806 -6.274 217 1HA GLY 31 2HA GLY 31 2.098 -0.278 -7.504 218 2HA GLY 31 1HA GLY 31 3.480 -0.930 -6.624 219 H CYS 32 H CYS 32 2.655 -0.133 -4.000 220 HA CYS 32 HA CYS 32 1.255 -2.303 -3.023 221 1HB CYS 32 2HB CYS 32 1.411 0.597 -2.219 222 2HB CYS 32 1HB CYS 32 0.463 -0.538 -1.257 223 H ILE 33 H ILE 33 -1.059 -2.401 -2.209 224 HA ILE 33 HA ILE 33 -2.998 -0.760 -3.746 225 HB ILE 33 HB ILE 33 -4.014 -2.743 -4.738 226 1HG1 ILE 33 2HG1 ILE 33 -2.310 -4.853 -4.355 227 2HG1 ILE 33 1HG1 ILE 33 -2.261 -4.078 -2.771 228 1HG2 ILE 33 1HG2 ILE 33 -1.009 -2.893 -5.116 229 2HG2 ILE 33 2HG2 ILE 33 -2.031 -1.663 -5.859 230 3HG2 ILE 33 3HG2 ILE 33 -2.251 -3.362 -6.277 231 1HD1 ILE 33 1HD1 ILE 33 -4.135 -5.368 -2.444 232 2HD1 ILE 33 2HD1 ILE 33 -4.537 -5.404 -4.161 233 3HD1 ILE 33 3HD1 ILE 33 -4.913 -3.976 -3.198 234 H ILE 34 H ILE 34 -5.057 -0.723 -2.755 235 HA ILE 34 HA ILE 34 -5.170 -1.972 -0.038 236 HB ILE 34 HB ILE 34 -6.597 0.397 -1.286 237 1HG1 ILE 34 2HG1 ILE 34 -5.094 1.482 0.620 238 2HG1 ILE 34 1HG1 ILE 34 -4.106 0.048 0.341 239 1HG2 ILE 34 1HG2 ILE 34 -6.831 -1.011 1.332 240 2HG2 ILE 34 2HG2 ILE 34 -8.058 -0.145 0.407 241 3HG2 ILE 34 3HG2 ILE 34 -6.877 0.752 1.360 242 1HD1 ILE 34 1HD1 ILE 34 -5.051 1.589 -2.042 243 2HD1 ILE 34 2HD1 ILE 34 -3.561 0.674 -1.817 244 3HD1 ILE 34 3HD1 ILE 34 -3.735 2.267 -1.083 245 H ILE 35 H ILE 35 -7.041 -3.151 0.554 246 HA ILE 35 HA ILE 35 -9.041 -3.651 -1.620 247 HB ILE 35 HB ILE 35 -8.862 -6.028 -0.195 248 1HG1 ILE 35 2HG1 ILE 35 -6.059 -4.929 -0.599 249 2HG1 ILE 35 1HG1 ILE 35 -6.819 -5.257 0.960 250 1HG2 ILE 35 1HG2 ILE 35 -8.720 -6.707 -2.327 251 2HG2 ILE 35 2HG2 ILE 35 -7.059 -6.121 -2.420 252 3HG2 ILE 35 3HG2 ILE 35 -8.397 -5.045 -2.823 253 1HD1 ILE 35 1HD1 ILE 35 -7.193 -7.659 -0.160 254 2HD1 ILE 35 2HD1 ILE 35 -5.696 -7.254 0.680 255 3HD1 ILE 35 3HD1 ILE 35 -5.770 -7.170 -1.080 256 HA PRO 36 HA PRO 36 -12.173 -3.281 1.412 257 1HB PRO 36 2HB PRO 36 -13.759 -5.486 1.047 258 2HB PRO 36 1HB PRO 36 -13.708 -4.127 -0.093 259 1HG PRO 36 2HG PRO 36 -12.376 -6.783 -0.255 260 2HG PRO 36 1HG PRO 36 -13.128 -5.816 -1.534 261 1HD PRO 36 2HD PRO 36 -10.436 -5.958 -1.148 262 2HD PRO 36 1HD PRO 36 -11.247 -4.547 -1.860 263 H GLY 37 H GLY 37 -10.589 -6.450 1.374 264 1HA GLY 37 2HA GLY 37 -9.562 -6.782 3.773 265 2HA GLY 37 1HA GLY 37 -11.254 -6.827 4.250 266 H ALA 38 H ALA 38 -8.903 -8.846 3.986 267 HA ALA 38 HA ALA 38 -10.442 -11.202 3.650 268 1HB ALA 38 1HB ALA 38 -10.697 -11.243 1.404 269 2HB ALA 38 2HB ALA 38 -8.947 -11.406 1.264 270 3HB ALA 38 3HB ALA 38 -9.690 -9.807 1.229 271 H THR 39 H THR 39 -7.390 -10.669 2.013 272 HA THR 39 HA THR 39 -5.675 -11.420 4.215 273 HB THR 39 HB THR 39 -7.228 -13.404 3.350 274 HG1 THR 39 1HG THR 39 -5.788 -14.731 4.346 275 1HG2 THR 39 1HG2 THR 39 -6.369 -14.677 1.613 276 2HG2 THR 39 2HG2 THR 39 -4.744 -14.017 1.803 277 3HG2 THR 39 3HG2 THR 39 -6.008 -13.044 1.052 278 H CYS 40 H CYS 40 -5.968 -9.822 1.570 279 HA CYS 40 HA CYS 40 -4.495 -8.975 -0.085 280 1HB CYS 40 2HB CYS 40 -2.869 -9.965 2.210 281 2HB CYS 40 1HB CYS 40 -1.998 -9.626 0.718 282 HA PRO 41 HA PRO 41 -3.557 -12.309 -2.802 283 1HB PRO 41 2HB PRO 41 -1.444 -11.324 -4.240 284 2HB PRO 41 1HB PRO 41 -3.107 -10.737 -4.445 285 1HG PRO 41 2HG PRO 41 -0.847 -9.528 -2.936 286 2HG PRO 41 1HG PRO 41 -2.099 -8.745 -3.913 287 1HD PRO 41 2HD PRO 41 -2.145 -8.833 -1.183 288 2HD PRO 41 1HD PRO 41 -3.603 -8.707 -2.189 289 H GLY 42 H GLY 42 -1.003 -13.092 -3.801 290 1HA GLY 42 2HA GLY 42 0.300 -14.014 -1.272 291 2HA GLY 42 1HA GLY 42 0.276 -14.951 -2.765 292 H ASP 43 H ASP 43 0.817 -12.537 -4.418 293 HA ASP 43 HA ASP 43 3.742 -12.609 -4.212 294 1HB ASP 43 2HB ASP 43 1.633 -11.861 -6.103 295 2HB ASP 43 1HB ASP 43 2.984 -10.726 -6.119 296 H TYR 44 H TYR 44 1.163 -10.523 -3.173 297 HA TYR 44 HA TYR 44 3.175 -8.422 -2.437 298 1HB TYR 44 2HB TYR 44 0.202 -8.001 -2.768 299 2HB TYR 44 1HB TYR 44 1.493 -6.807 -2.862 300 HD1 TYR 44 1HD TYR 44 3.442 -8.294 -4.590 301 HD2 TYR 44 2HD TYR 44 -0.814 -7.819 -4.907 302 HE1 TYR 44 1HE TYR 44 3.586 -8.636 -7.042 303 HE2 TYR 44 2HE TYR 44 -0.671 -8.159 -7.357 304 HH TYR 44 HH TYR 44 1.617 -7.741 -9.135 305 H ALA 45 H ALA 45 2.440 -10.821 -0.851 306 HA ALA 45 HA ALA 45 0.678 -9.835 1.297 307 1HB ALA 45 1HB ALA 45 2.416 -12.315 1.144 308 2HB ALA 45 2HB ALA 45 0.806 -12.207 0.430 309 3HB ALA 45 3HB ALA 45 1.009 -12.069 2.177 310 H ASN 46 H ASN 46 3.279 -8.422 0.724 311 HA ASN 46 HA ASN 46 4.713 -8.928 3.301 312 1HB ASN 46 2HB ASN 46 5.507 -8.621 0.587 313 2HB ASN 46 1HB ASN 46 6.079 -7.193 1.449 314 1HD2 ASN 46 1HD2 ASN 46 6.444 -8.495 4.033 315 2HD2 ASN 46 2HD2 ASN 46 7.764 -9.553 3.880 Start of MODEL 16 1 1H THR 1 1HT THR 1 -8.602 -2.461 2.205 2 2H THR 1 2HT THR 1 -8.656 -1.926 3.816 3 3H THR 1 3HT THR 1 -9.299 -3.442 3.401 4 HA THR 1 HA THR 1 -6.807 -3.039 4.392 5 HB THR 1 HB THR 1 -8.102 -5.185 2.690 6 HG1 THR 1 1HG THR 1 -8.767 -4.469 4.929 7 1HG2 THR 1 1HG2 THR 1 -6.283 -6.614 3.952 8 2HG2 THR 1 2HG2 THR 1 -5.400 -5.087 3.988 9 3HG2 THR 1 3HG2 THR 1 -5.872 -5.798 2.444 10 H THR 2 H THR 2 -4.669 -3.198 3.496 11 HA THR 2 HA THR 2 -4.475 -2.732 0.540 12 HB THR 2 HB THR 2 -2.542 -1.448 2.415 13 HG1 THR 2 1HG THR 2 -4.973 -0.160 1.930 14 1HG2 THR 2 1HG2 THR 2 -2.268 0.034 0.682 15 2HG2 THR 2 2HG2 THR 2 -3.970 -0.025 0.227 16 3HG2 THR 2 3HG2 THR 2 -2.886 -1.333 -0.247 17 H CYS 3 H CYS 3 -2.265 -3.310 -0.302 18 HA CYS 3 HA CYS 3 -0.576 -5.000 1.427 19 1HB CYS 3 2HB CYS 3 -0.956 -6.946 -0.196 20 2HB CYS 3 1HB CYS 3 -2.296 -6.568 0.881 21 H CYS 4 H CYS 4 1.517 -5.210 0.564 22 HA CYS 4 HA CYS 4 1.973 -4.014 -2.152 23 1HB CYS 4 2HB CYS 4 2.959 -3.369 0.525 24 2HB CYS 4 1HB CYS 4 4.268 -3.606 -0.631 25 HA PRO 5 HA PRO 5 4.117 -7.774 -2.987 26 1HB PRO 5 2HB PRO 5 5.692 -6.911 -5.051 27 2HB PRO 5 1HB PRO 5 3.949 -7.197 -5.221 28 1HG PRO 5 2HG PRO 5 5.419 -4.635 -4.871 29 2HG PRO 5 1HG PRO 5 4.006 -4.998 -5.875 30 1HD PRO 5 2HD PRO 5 3.864 -3.716 -3.469 31 2HD PRO 5 1HD PRO 5 2.539 -4.686 -4.150 32 H SER 6 H SER 6 5.515 -5.087 -1.563 33 HA SER 6 HA SER 6 7.936 -6.618 -0.841 34 1HB SER 6 2HB SER 6 9.257 -4.463 -1.566 35 2HB SER 6 1HB SER 6 8.808 -5.650 -2.786 36 HG SER 6 HG SER 6 6.973 -3.641 -2.159 37 H ILE 7 H ILE 7 9.056 -5.632 0.988 38 HA ILE 7 HA ILE 7 7.364 -4.418 2.945 39 HB ILE 7 HB ILE 7 10.385 -4.277 2.805 40 1HG1 ILE 7 2HG1 ILE 7 9.585 -6.596 4.194 41 2HG1 ILE 7 1HG1 ILE 7 8.667 -6.603 2.690 42 1HG2 ILE 7 1HG2 ILE 7 8.300 -4.320 4.980 43 2HG2 ILE 7 2HG2 ILE 7 9.636 -3.191 4.755 44 3HG2 ILE 7 3HG2 ILE 7 9.953 -4.834 5.312 45 1HD1 ILE 7 1HD1 ILE 7 10.789 -6.213 1.437 46 2HD1 ILE 7 2HD1 ILE 7 10.803 -7.732 2.333 47 3HD1 ILE 7 3HD1 ILE 7 11.675 -6.332 2.957 48 H VAL 8 H VAL 8 9.589 -3.067 0.568 49 HA VAL 8 HA VAL 8 9.615 -0.370 1.608 50 HB VAL 8 HB VAL 8 10.000 -1.275 -1.256 51 1HG1 VAL 8 1HG1 VAL 8 11.940 0.575 -0.199 52 2HG1 VAL 8 2HG1 VAL 8 10.316 1.188 0.112 53 3HG1 VAL 8 3HG1 VAL 8 10.815 0.805 -1.537 54 1HG2 VAL 8 1HG2 VAL 8 11.611 -2.674 -0.522 55 2HG2 VAL 8 2HG2 VAL 8 11.400 -2.129 1.141 56 3HG2 VAL 8 3HG2 VAL 8 12.486 -1.257 0.058 57 H ALA 9 H ALA 9 7.926 -1.760 -1.241 58 HA ALA 9 HA ALA 9 6.389 0.369 -2.082 59 1HB ALA 9 1HB ALA 9 6.457 -2.014 -2.933 60 2HB ALA 9 2HB ALA 9 4.838 -1.316 -2.880 61 3HB ALA 9 3HB ALA 9 5.352 -2.445 -1.628 62 H ARG 10 H ARG 10 5.807 -1.647 0.787 63 HA ARG 10 HA ARG 10 3.296 -0.296 1.455 64 1HB ARG 10 2HB ARG 10 3.369 -2.517 2.125 65 2HB ARG 10 1HB ARG 10 5.089 -2.463 2.478 66 1HG ARG 10 2HG ARG 10 3.726 -0.677 4.273 67 2HG ARG 10 1HG ARG 10 2.929 -2.249 4.307 68 1HD ARG 10 2HD ARG 10 5.929 -2.171 4.351 69 2HD ARG 10 1HD ARG 10 5.034 -1.842 5.843 70 HE ARG 10 HE ARG 10 4.820 -4.359 4.251 71 1HH1 ARG 10 1HH2 ARG 10 2.300 -3.694 5.710 72 2HH1 ARG 10 2HH2 ARG 10 2.539 -4.482 7.235 73 1HH2 ARG 10 1HH1 ARG 10 5.959 -4.865 6.800 74 2HH2 ARG 10 2HH1 ARG 10 4.612 -5.137 7.854 75 H SER 11 H SER 11 6.694 -0.181 2.416 76 HA SER 11 HA SER 11 6.523 1.447 4.725 77 1HB SER 11 2HB SER 11 8.501 0.882 2.558 78 2HB SER 11 1HB SER 11 8.832 2.257 3.609 79 HG SER 11 HG SER 11 9.606 0.719 4.847 80 H ASN 12 H ASN 12 6.634 2.372 1.274 81 HA ASN 12 HA ASN 12 6.544 5.236 1.805 82 1HB ASN 12 2HB ASN 12 5.611 3.930 -0.740 83 2HB ASN 12 1HB ASN 12 6.538 5.413 -0.538 84 1HD2 ASN 12 1HD2 ASN 12 6.787 2.049 -1.169 85 2HD2 ASN 12 2HD2 ASN 12 8.472 1.915 -1.032 86 H PHE 13 H PHE 13 4.135 2.895 0.550 87 HA PHE 13 HA PHE 13 1.860 4.449 0.325 88 1HB PHE 13 2HB PHE 13 1.632 2.173 -0.171 89 2HB PHE 13 1HB PHE 13 2.453 1.667 1.301 90 HD1 PHE 13 1HD PHE 13 0.804 0.152 2.158 91 HD2 PHE 13 2HD PHE 13 -0.278 4.174 1.114 92 HE1 PHE 13 1HE PHE 13 -1.386 -0.147 3.282 93 HE2 PHE 13 2HE PHE 13 -2.464 3.877 2.239 94 HZ PHE 13 HZ PHE 13 -3.022 1.717 3.322 95 H ASN 14 H ASN 14 3.362 3.271 3.300 96 HA ASN 14 HA ASN 14 1.280 4.252 5.089 97 1HB ASN 14 2HB ASN 14 4.018 3.070 5.233 98 2HB ASN 14 1HB ASN 14 3.469 3.971 6.648 99 1HD2 ASN 14 1HD2 ASN 14 3.823 0.979 6.302 100 2HD2 ASN 14 2HD2 ASN 14 2.310 0.312 6.686 101 H VAL 15 H VAL 15 4.244 5.513 3.721 102 HA VAL 15 HA VAL 15 4.463 7.861 5.395 103 HB VAL 15 HB VAL 15 5.791 6.482 3.241 104 1HG1 VAL 15 1HG1 VAL 15 5.719 9.492 2.885 105 2HG1 VAL 15 2HG1 VAL 15 4.898 8.345 1.827 106 3HG1 VAL 15 3HG1 VAL 15 6.658 8.338 1.936 107 1HG2 VAL 15 1HG2 VAL 15 7.335 8.630 4.318 108 2HG2 VAL 15 2HG2 VAL 15 7.441 6.909 4.686 109 3HG2 VAL 15 3HG2 VAL 15 6.352 7.944 5.611 110 H CYS 16 H CYS 16 2.577 6.987 2.614 111 HA CYS 16 HA CYS 16 1.984 9.705 1.738 112 1HB CYS 16 2HB CYS 16 1.688 6.974 0.918 113 2HB CYS 16 1HB CYS 16 0.124 7.770 0.815 114 H ARG 17 H ARG 17 0.425 7.256 3.780 115 HA ARG 17 HA ARG 17 -2.096 8.692 4.020 116 1HB ARG 17 2HB ARG 17 -1.533 6.185 4.352 117 2HB ARG 17 1HB ARG 17 -0.938 6.664 5.942 118 1HG ARG 17 2HG ARG 17 -3.229 6.015 6.239 119 2HG ARG 17 1HG ARG 17 -3.189 7.775 6.328 120 1HD ARG 17 2HD ARG 17 -3.838 7.887 3.916 121 2HD ARG 17 1HD ARG 17 -3.984 6.118 3.906 122 HE ARG 17 HE ARG 17 -5.457 7.130 6.131 123 1HH1 ARG 17 1HH2 ARG 17 -5.939 5.602 3.272 124 2HH1 ARG 17 2HH2 ARG 17 -7.450 6.351 2.879 125 1HH2 ARG 17 1HH1 ARG 17 -7.228 8.733 5.386 126 2HH2 ARG 17 2HH1 ARG 17 -8.181 8.120 4.078 127 H LEU 18 H LEU 18 1.008 9.260 5.195 128 HA LEU 18 HA LEU 18 0.452 10.197 7.862 129 1HB LEU 18 2HB LEU 18 2.600 9.902 5.933 130 2HB LEU 18 1HB LEU 18 2.717 11.448 6.759 131 HG LEU 18 HG LEU 18 2.366 8.793 8.167 132 1HD1 LEU 18 1HD1 LEU 18 4.825 10.426 7.517 133 2HD1 LEU 18 2HD1 LEU 18 4.537 8.716 7.200 134 3HD1 LEU 18 3HD1 LEU 18 4.797 9.274 8.852 135 1HD2 LEU 18 1HD2 LEU 18 3.541 10.883 9.746 136 2HD2 LEU 18 2HD2 LEU 18 2.008 10.051 10.003 137 3HD2 LEU 18 3HD2 LEU 18 2.066 11.503 9.004 138 HA PRO 19 HA PRO 19 0.471 14.513 5.786 139 1HB PRO 19 2HB PRO 19 0.552 14.620 3.052 140 2HB PRO 19 1HB PRO 19 2.009 14.605 4.066 141 1HG PRO 19 2HG PRO 19 0.737 12.380 2.553 142 2HG PRO 19 1HG PRO 19 2.451 12.749 2.792 143 1HD PRO 19 2HD PRO 19 1.127 10.814 4.177 144 2HD PRO 19 1HD PRO 19 2.534 11.687 4.817 145 H GLY 20 H GLY 20 -0.887 13.230 2.803 146 1HA GLY 20 2HA GLY 20 -3.604 13.060 3.863 147 2HA GLY 20 1HA GLY 20 -3.330 14.482 2.855 148 H THR 21 H THR 21 -1.539 11.593 2.148 149 HA THR 21 HA THR 21 -2.754 11.446 -0.493 150 HB THR 21 HB THR 21 -0.786 9.558 0.789 151 HG1 THR 21 1HG THR 21 0.362 11.330 0.983 152 1HG2 THR 21 1HG2 THR 21 -1.905 10.000 -1.873 153 2HG2 THR 21 2HG2 THR 21 -1.023 8.610 -1.241 154 3HG2 THR 21 3HG2 THR 21 -0.142 10.000 -1.876 155 HA PRO 22 HA PRO 22 -5.602 8.325 0.862 156 1HB PRO 22 2HB PRO 22 -6.697 7.912 -1.618 157 2HB PRO 22 1HB PRO 22 -7.152 9.263 -0.564 158 1HG PRO 22 2HG PRO 22 -5.330 9.229 -2.911 159 2HG PRO 22 1HG PRO 22 -6.472 10.474 -2.392 160 1HD PRO 22 2HD PRO 22 -3.767 10.636 -1.942 161 2HD PRO 22 1HD PRO 22 -4.985 11.407 -0.913 162 H GLU 23 H GLU 23 -4.852 6.339 1.165 163 HA GLU 23 HA GLU 23 -2.695 4.983 0.284 164 1HB GLU 23 2HB GLU 23 -4.099 2.899 0.624 165 2HB GLU 23 1HB GLU 23 -4.242 4.094 1.914 166 1HG GLU 23 2HG GLU 23 -6.280 5.002 0.761 167 2HG GLU 23 1HG GLU 23 -6.179 3.653 -0.371 168 H ALA 24 H ALA 24 -5.602 5.475 -1.665 169 HA ALA 24 HA ALA 24 -4.999 3.529 -3.708 170 1HB ALA 24 1HB ALA 24 -6.785 5.898 -3.318 171 2HB ALA 24 2HB ALA 24 -7.210 4.229 -3.694 172 3HB ALA 24 3HB ALA 24 -6.578 5.285 -4.958 173 H LEU 25 H LEU 25 -4.282 7.020 -3.365 174 HA LEU 25 HA LEU 25 -3.132 7.379 -5.966 175 1HB LEU 25 2HB LEU 25 -3.760 8.875 -3.719 176 2HB LEU 25 1HB LEU 25 -2.004 8.968 -3.780 177 HG LEU 25 HG LEU 25 -2.924 9.270 -6.440 178 1HD1 LEU 25 1HD1 LEU 25 -4.163 11.580 -5.653 179 2HD1 LEU 25 2HD1 LEU 25 -4.717 10.455 -4.412 180 3HD1 LEU 25 3HD1 LEU 25 -5.017 10.108 -6.115 181 1HD2 LEU 25 1HD2 LEU 25 -1.850 11.246 -4.403 182 2HD2 LEU 25 2HD2 LEU 25 -1.946 11.555 -6.136 183 3HD2 LEU 25 3HD2 LEU 25 -0.896 10.277 -5.525 184 H CYS 26 H CYS 26 -1.659 6.584 -2.796 185 HA CYS 26 HA CYS 26 1.013 6.397 -4.025 186 1HB CYS 26 2HB CYS 26 -0.128 6.787 -1.455 187 2HB CYS 26 1HB CYS 26 0.865 5.329 -1.368 188 H ALA 27 H ALA 27 -1.583 4.170 -3.208 189 HA ALA 27 HA ALA 27 0.087 1.812 -3.152 190 1HB ALA 27 1HB ALA 27 -2.865 2.254 -3.657 191 2HB ALA 27 2HB ALA 27 -2.123 1.879 -2.102 192 3HB ALA 27 3HB ALA 27 -2.140 0.670 -3.386 193 H THR 28 H THR 28 -1.423 3.710 -5.514 194 HA THR 28 HA THR 28 -1.155 1.828 -7.736 195 HB THR 28 HB THR 28 -2.333 4.410 -7.079 196 HG1 THR 28 1HG THR 28 -2.928 2.992 -9.399 197 1HG2 THR 28 1HG2 THR 28 -0.766 4.182 -9.637 198 2HG2 THR 28 2HG2 THR 28 -0.838 5.530 -8.503 199 3HG2 THR 28 3HG2 THR 28 -2.215 5.182 -9.550 200 H TYR 29 H TYR 29 0.640 4.542 -6.356 201 HA TYR 29 HA TYR 29 2.612 4.481 -8.577 202 1HB TYR 29 2HB TYR 29 1.869 6.638 -7.785 203 2HB TYR 29 1HB TYR 29 2.201 6.194 -6.111 204 HD1 TYR 29 1HD TYR 29 3.877 7.768 -5.497 205 HD2 TYR 29 2HD TYR 29 4.296 5.468 -9.099 206 HE1 TYR 29 1HE TYR 29 6.211 8.570 -5.737 207 HE2 TYR 29 2HE TYR 29 6.629 6.269 -9.341 208 HH TYR 29 HH TYR 29 8.441 7.308 -7.213 209 H THR 30 H THR 30 2.381 3.709 -5.115 210 HA THR 30 HA THR 30 5.230 3.059 -4.933 211 HB THR 30 HB THR 30 3.487 3.977 -3.171 212 HG1 THR 30 1HG THR 30 5.678 2.280 -2.903 213 1HG2 THR 30 1HG2 THR 30 2.056 1.913 -3.420 214 2HG2 THR 30 2HG2 THR 30 2.526 2.301 -1.767 215 3HG2 THR 30 3HG2 THR 30 3.353 1.011 -2.636 216 H GLY 31 H GLY 31 2.446 1.413 -6.043 217 1HA GLY 31 2HA GLY 31 2.645 -0.753 -7.115 218 2HA GLY 31 1HA GLY 31 4.008 -1.119 -6.059 219 H CYS 32 H CYS 32 1.259 0.316 -4.554 220 HA CYS 32 HA CYS 32 0.650 -2.310 -3.262 221 1HB CYS 32 2HB CYS 32 1.039 0.389 -2.396 222 2HB CYS 32 1HB CYS 32 -0.628 -0.059 -2.034 223 H ILE 33 H ILE 33 -1.836 -2.219 -2.480 224 HA ILE 33 HA ILE 33 -3.613 -1.012 -4.504 225 HB ILE 33 HB ILE 33 -4.513 -3.213 -5.165 226 1HG1 ILE 33 2HG1 ILE 33 -2.195 -4.394 -3.611 227 2HG1 ILE 33 1HG1 ILE 33 -3.841 -4.322 -2.982 228 1HG2 ILE 33 1HG2 ILE 33 -2.564 -2.119 -6.373 229 2HG2 ILE 33 2HG2 ILE 33 -2.685 -3.865 -6.586 230 3HG2 ILE 33 3HG2 ILE 33 -1.499 -3.195 -5.467 231 1HD1 ILE 33 1HD1 ILE 33 -4.265 -5.383 -5.471 232 2HD1 ILE 33 2HD1 ILE 33 -4.086 -6.342 -4.002 233 3HD1 ILE 33 3HD1 ILE 33 -2.698 -6.080 -5.059 234 H ILE 34 H ILE 34 -5.718 -0.801 -3.721 235 HA ILE 34 HA ILE 34 -6.100 -1.452 -0.848 236 HB ILE 34 HB ILE 34 -7.398 0.359 -2.890 237 1HG1 ILE 34 2HG1 ILE 34 -6.784 2.031 -1.049 238 2HG1 ILE 34 1HG1 ILE 34 -5.857 0.730 -0.311 239 1HG2 ILE 34 1HG2 ILE 34 -8.816 1.105 -0.876 240 2HG2 ILE 34 2HG2 ILE 34 -8.372 -0.436 -0.142 241 3HG2 ILE 34 3HG2 ILE 34 -9.279 -0.409 -1.655 242 1HD1 ILE 34 1HD1 ILE 34 -4.850 2.456 -2.170 243 2HD1 ILE 34 2HD1 ILE 34 -5.371 1.121 -3.200 244 3HD1 ILE 34 3HD1 ILE 34 -4.222 0.831 -1.893 245 H ILE 35 H ILE 35 -7.763 -2.816 -0.146 246 HA ILE 35 HA ILE 35 -9.658 -3.941 -2.147 247 HB ILE 35 HB ILE 35 -8.976 -6.231 -1.514 248 1HG1 ILE 35 2HG1 ILE 35 -7.010 -4.727 0.234 249 2HG1 ILE 35 1HG1 ILE 35 -8.230 -5.894 0.747 250 1HG2 ILE 35 1HG2 ILE 35 -7.795 -4.842 -3.353 251 2HG2 ILE 35 2HG2 ILE 35 -6.981 -6.299 -2.781 252 3HG2 ILE 35 3HG2 ILE 35 -6.459 -4.716 -2.208 253 1HD1 ILE 35 1HD1 ILE 35 -5.526 -6.382 -0.133 254 2HD1 ILE 35 2HD1 ILE 35 -6.659 -7.208 -1.202 255 3HD1 ILE 35 3HD1 ILE 35 -6.694 -7.523 0.533 256 HA PRO 36 HA PRO 36 -12.336 -3.819 1.341 257 1HB PRO 36 2HB PRO 36 -14.168 -5.710 0.600 258 2HB PRO 36 1HB PRO 36 -14.075 -4.107 -0.157 259 1HG PRO 36 2HG PRO 36 -13.073 -6.726 -1.142 260 2HG PRO 36 1HG PRO 36 -13.800 -5.385 -2.038 261 1HD PRO 36 2HD PRO 36 -11.110 -5.899 -1.962 262 2HD PRO 36 1HD PRO 36 -11.808 -4.293 -2.268 263 H GLY 37 H GLY 37 -10.153 -5.111 2.197 264 1HA GLY 37 2HA GLY 37 -9.551 -6.624 3.905 265 2HA GLY 37 1HA GLY 37 -11.207 -7.221 3.910 266 H ALA 38 H ALA 38 -8.321 -8.379 3.599 267 HA ALA 38 HA ALA 38 -8.885 -10.832 2.402 268 1HB ALA 38 1HB ALA 38 -7.588 -9.987 0.110 269 2HB ALA 38 2HB ALA 38 -8.610 -8.603 0.494 270 3HB ALA 38 3HB ALA 38 -9.334 -10.194 0.258 271 H THR 39 H THR 39 -6.567 -8.221 2.758 272 HA THR 39 HA THR 39 -4.334 -8.275 3.478 273 HB THR 39 HB THR 39 -5.622 -10.476 4.555 274 HG1 THR 39 1HG THR 39 -4.276 -9.047 5.655 275 1HG2 THR 39 1HG2 THR 39 -4.372 -12.413 4.260 276 2HG2 THR 39 2HG2 THR 39 -2.944 -11.534 3.716 277 3HG2 THR 39 3HG2 THR 39 -4.321 -11.732 2.635 278 H CYS 40 H CYS 40 -5.463 -9.385 0.712 279 HA CYS 40 HA CYS 40 -4.491 -9.921 -1.375 280 1HB CYS 40 2HB CYS 40 -2.671 -8.310 0.215 281 2HB CYS 40 1HB CYS 40 -1.782 -9.356 -0.890 282 HA PRO 41 HA PRO 41 -2.591 -13.873 -1.236 283 1HB PRO 41 2HB PRO 41 -0.590 -13.784 -3.103 284 2HB PRO 41 1HB PRO 41 -2.314 -13.809 -3.534 285 1HG PRO 41 2HG PRO 41 -0.432 -11.498 -3.393 286 2HG PRO 41 1HG PRO 41 -1.686 -11.859 -4.591 287 1HD PRO 41 2HD PRO 41 -2.036 -10.050 -2.607 288 2HD PRO 41 1HD PRO 41 -3.372 -11.008 -3.283 289 H GLY 42 H GLY 42 -0.051 -14.841 -1.417 290 1HA GLY 42 2HA GLY 42 1.221 -13.733 0.997 291 2HA GLY 42 1HA GLY 42 1.688 -15.220 0.170 292 H ASP 43 H ASP 43 1.324 -12.892 -2.171 293 HA ASP 43 HA ASP 43 4.272 -12.398 -2.229 294 1HB ASP 43 2HB ASP 43 2.127 -12.972 -4.139 295 2HB ASP 43 1HB ASP 43 3.114 -11.598 -4.638 296 H TYR 44 H TYR 44 1.130 -10.837 -2.133 297 HA TYR 44 HA TYR 44 2.397 -8.140 -2.333 298 1HB TYR 44 2HB TYR 44 -0.508 -9.020 -2.333 299 2HB TYR 44 1HB TYR 44 0.095 -7.417 -2.754 300 HD1 TYR 44 1HD TYR 44 2.630 -8.469 -4.184 301 HD2 TYR 44 2HD TYR 44 -1.530 -9.483 -4.492 302 HE1 TYR 44 1HE TYR 44 2.984 -9.200 -6.526 303 HE2 TYR 44 2HE TYR 44 -1.179 -10.217 -6.834 304 HH TYR 44 HH TYR 44 1.221 -11.118 -8.136 305 H ALA 45 H ALA 45 1.675 -10.348 0.024 306 HA ALA 45 HA ALA 45 0.405 -8.560 1.977 307 1HB ALA 45 1HB ALA 45 -0.019 -10.990 1.875 308 2HB ALA 45 2HB ALA 45 0.680 -10.548 3.432 309 3HB ALA 45 3HB ALA 45 1.687 -11.302 2.196 310 H ASN 46 H ASN 46 3.088 -7.798 0.834 311 HA ASN 46 HA ASN 46 4.708 -7.847 3.353 312 1HB ASN 46 2HB ASN 46 5.243 -8.172 0.472 313 2HB ASN 46 1HB ASN 46 6.376 -7.097 1.289 314 1HD2 ASN 46 1HD2 ASN 46 7.413 -9.505 0.382 315 2HD2 ASN 46 2HD2 ASN 46 7.697 -10.557 1.685 Start of MODEL 17 1 1H THR 1 1HT THR 1 -8.015 -3.106 2.142 2 2H THR 1 2HT THR 1 -7.514 -2.464 3.633 3 3H THR 1 3HT THR 1 -8.626 -3.747 3.589 4 HA THR 1 HA THR 1 -6.309 -4.433 4.185 5 HB THR 1 HB THR 1 -7.795 -5.439 1.744 6 HG1 THR 1 1HG THR 1 -8.271 -7.083 3.451 7 1HG2 THR 1 1HG2 THR 1 -5.506 -6.696 3.274 8 2HG2 THR 1 2HG2 THR 1 -5.544 -6.288 1.558 9 3HG2 THR 1 3HG2 THR 1 -6.560 -7.591 2.177 10 H THR 2 H THR 2 -4.355 -3.413 3.802 11 HA THR 2 HA THR 2 -3.654 -2.451 1.102 12 HB THR 2 HB THR 2 -1.590 -2.437 3.190 13 HG1 THR 2 1HG THR 2 -2.700 -1.485 4.735 14 1HG2 THR 2 1HG2 THR 2 -2.645 -0.782 1.085 15 2HG2 THR 2 2HG2 THR 2 -1.113 -0.629 1.944 16 3HG2 THR 2 3HG2 THR 2 -2.562 0.151 2.579 17 H CYS 3 H CYS 3 -1.687 -3.206 -0.000 18 HA CYS 3 HA CYS 3 -0.493 -5.748 0.965 19 1HB CYS 3 2HB CYS 3 -2.239 -5.394 -1.470 20 2HB CYS 3 1HB CYS 3 -1.090 -6.725 -1.346 21 H CYS 4 H CYS 4 1.671 -5.547 0.584 22 HA CYS 4 HA CYS 4 2.551 -4.209 -1.947 23 1HB CYS 4 2HB CYS 4 3.662 -3.886 0.863 24 2HB CYS 4 1HB CYS 4 4.353 -3.158 -0.587 25 HA PRO 5 HA PRO 5 4.793 -7.986 -2.346 26 1HB PRO 5 2HB PRO 5 6.597 -7.177 -4.243 27 2HB PRO 5 1HB PRO 5 4.896 -7.535 -4.607 28 1HG PRO 5 2HG PRO 5 6.225 -4.901 -4.182 29 2HG PRO 5 1HG PRO 5 4.998 -5.365 -5.371 30 1HD PRO 5 2HD PRO 5 4.399 -3.984 -3.118 31 2HD PRO 5 1HD PRO 5 3.265 -5.123 -3.879 32 H SER 6 H SER 6 6.003 -5.184 -0.935 33 HA SER 6 HA SER 6 8.254 -6.654 0.253 34 1HB SER 6 2HB SER 6 8.676 -4.244 -1.542 35 2HB SER 6 1HB SER 6 9.934 -5.040 -0.602 36 HG SER 6 HG SER 6 9.029 -7.004 -1.813 37 H ILE 7 H ILE 7 9.003 -5.619 2.172 38 HA ILE 7 HA ILE 7 7.224 -4.038 3.663 39 HB ILE 7 HB ILE 7 10.259 -4.179 3.758 40 1HG1 ILE 7 2HG1 ILE 7 8.097 -5.828 5.111 41 2HG1 ILE 7 1HG1 ILE 7 9.204 -6.391 3.859 42 1HG2 ILE 7 1HG2 ILE 7 9.329 -3.903 6.340 43 2HG2 ILE 7 2HG2 ILE 7 8.245 -2.844 5.437 44 3HG2 ILE 7 3HG2 ILE 7 9.989 -2.593 5.360 45 1HD1 ILE 7 1HD1 ILE 7 9.642 -6.527 6.606 46 2HD1 ILE 7 2HD1 ILE 7 10.621 -5.154 6.090 47 3HD1 ILE 7 3HD1 ILE 7 10.863 -6.736 5.350 48 H VAL 8 H VAL 8 9.725 -3.049 1.371 49 HA VAL 8 HA VAL 8 9.684 -0.229 2.005 50 HB VAL 8 HB VAL 8 10.397 -1.729 -0.539 51 1HG1 VAL 8 1HG1 VAL 8 12.084 0.428 -0.327 52 2HG1 VAL 8 2HG1 VAL 8 10.577 1.090 0.310 53 3HG1 VAL 8 3HG1 VAL 8 10.622 0.398 -1.312 54 1HG2 VAL 8 1HG2 VAL 8 11.760 -2.685 1.116 55 2HG2 VAL 8 2HG2 VAL 8 11.860 -1.184 2.036 56 3HG2 VAL 8 3HG2 VAL 8 12.760 -1.356 0.529 57 H ALA 9 H ALA 9 8.272 -2.052 -0.745 58 HA ALA 9 HA ALA 9 6.832 -0.088 -2.051 59 1HB ALA 9 1HB ALA 9 6.510 -2.978 -1.464 60 2HB ALA 9 2HB ALA 9 6.519 -2.144 -3.018 61 3HB ALA 9 3HB ALA 9 5.055 -2.159 -2.035 62 H ARG 10 H ARG 10 5.999 -1.647 1.031 63 HA ARG 10 HA ARG 10 3.435 -0.245 1.251 64 1HB ARG 10 2HB ARG 10 3.420 -2.341 2.247 65 2HB ARG 10 1HB ARG 10 5.111 -2.240 2.710 66 1HG ARG 10 2HG ARG 10 3.847 -0.233 4.215 67 2HG ARG 10 1HG ARG 10 2.749 -1.608 4.262 68 1HD ARG 10 2HD ARG 10 5.696 -2.047 4.672 69 2HD ARG 10 1HD ARG 10 4.671 -1.526 6.017 70 HE ARG 10 HE ARG 10 3.767 -3.832 4.375 71 1HH1 ARG 10 1HH1 ARG 10 5.696 -3.031 7.042 72 2HH1 ARG 10 2HH1 ARG 10 4.974 -4.186 8.111 73 1HH2 ARG 10 1HH2 ARG 10 2.499 -5.109 5.863 74 2HH2 ARG 10 2HH2 ARG 10 3.168 -5.371 7.439 75 H SER 11 H SER 11 6.671 -0.075 2.773 76 HA SER 11 HA SER 11 6.247 1.953 4.662 77 1HB SER 11 2HB SER 11 8.371 0.578 3.553 78 2HB SER 11 1HB SER 11 8.696 2.233 3.047 79 HG SER 11 HG SER 11 8.021 2.555 5.464 80 H ASN 12 H ASN 12 6.775 2.247 1.152 81 HA ASN 12 HA ASN 12 6.833 5.138 1.088 82 1HB ASN 12 2HB ASN 12 5.856 3.347 -1.138 83 2HB ASN 12 1HB ASN 12 6.817 4.819 -1.260 84 1HD2 ASN 12 1HD2 ASN 12 7.295 1.841 -2.083 85 2HD2 ASN 12 2HD2 ASN 12 8.846 1.519 -1.479 86 H PHE 13 H PHE 13 4.287 2.747 0.340 87 HA PHE 13 HA PHE 13 2.135 4.411 -0.260 88 1HB PHE 13 2HB PHE 13 1.532 2.210 -0.413 89 2HB PHE 13 1HB PHE 13 2.633 1.729 0.872 90 HD1 PHE 13 1HD PHE 13 -0.290 4.076 0.780 91 HD2 PHE 13 2HD PHE 13 1.453 0.552 2.506 92 HE1 PHE 13 1HE PHE 13 -2.190 3.907 2.355 93 HE2 PHE 13 2HE PHE 13 -0.456 0.381 4.082 94 HZ PHE 13 HZ PHE 13 -2.278 2.060 4.006 95 H ASN 14 H ASN 14 3.359 3.506 2.958 96 HA ASN 14 HA ASN 14 1.353 5.084 4.392 97 1HB ASN 14 2HB ASN 14 3.896 3.597 5.073 98 2HB ASN 14 1HB ASN 14 3.046 4.548 6.291 99 1HD2 ASN 14 1HD2 ASN 14 3.311 1.435 5.306 100 2HD2 ASN 14 2HD2 ASN 14 1.742 0.877 5.633 101 H VAL 15 H VAL 15 4.353 5.712 2.843 102 HA VAL 15 HA VAL 15 5.071 8.060 4.450 103 HB VAL 15 HB VAL 15 6.232 6.247 2.574 104 1HG1 VAL 15 1HG1 VAL 15 7.515 7.878 1.163 105 2HG1 VAL 15 2HG1 VAL 15 6.429 9.150 1.720 106 3HG1 VAL 15 3HG1 VAL 15 5.798 7.808 0.766 107 1HG2 VAL 15 1HG2 VAL 15 6.995 7.463 4.809 108 2HG2 VAL 15 2HG2 VAL 15 7.747 8.574 3.664 109 3HG2 VAL 15 3HG2 VAL 15 8.175 6.863 3.643 110 H CYS 16 H CYS 16 3.237 7.342 1.576 111 HA CYS 16 HA CYS 16 3.173 10.138 0.646 112 1HB CYS 16 2HB CYS 16 3.196 8.667 -1.131 113 2HB CYS 16 1HB CYS 16 2.346 7.414 -0.235 114 H ARG 17 H ARG 17 1.166 7.939 2.520 115 HA ARG 17 HA ARG 17 -1.179 9.733 2.411 116 1HB ARG 17 2HB ARG 17 -1.358 7.245 2.318 117 2HB ARG 17 1HB ARG 17 -0.631 7.154 3.922 118 1HG ARG 17 2HG ARG 17 -2.731 9.022 4.143 119 2HG ARG 17 1HG ARG 17 -3.384 7.680 3.204 120 1HD ARG 17 2HD ARG 17 -2.738 6.084 4.931 121 2HD ARG 17 1HD ARG 17 -1.920 7.365 5.848 122 HE ARG 17 HE ARG 17 -4.761 7.858 5.209 123 1HH1 ARG 17 1HH2 ARG 17 -3.451 9.308 7.413 124 2HH1 ARG 17 2HH2 ARG 17 -3.969 8.438 8.817 125 1HH2 ARG 17 1HH1 ARG 17 -4.980 5.639 7.038 126 2HH2 ARG 17 2HH1 ARG 17 -4.836 6.363 8.605 127 H LEU 18 H LEU 18 1.658 9.990 3.899 128 HA LEU 18 HA LEU 18 0.977 10.281 6.692 129 1HB LEU 18 2HB LEU 18 3.220 10.288 4.952 130 2HB LEU 18 1HB LEU 18 3.249 11.816 5.826 131 HG LEU 18 HG LEU 18 3.205 9.021 6.977 132 1HD1 LEU 18 1HD1 LEU 18 5.406 9.964 6.365 133 2HD1 LEU 18 2HD1 LEU 18 5.248 9.809 8.114 134 3HD1 LEU 18 3HD1 LEU 18 5.068 11.387 7.349 135 1HD2 LEU 18 1HD2 LEU 18 1.771 10.009 8.498 136 2HD2 LEU 18 2HD2 LEU 18 2.365 11.635 8.158 137 3HD2 LEU 18 3HD2 LEU 18 3.307 10.547 9.177 138 HA PRO 19 HA PRO 19 0.853 14.911 5.543 139 1HB PRO 19 2HB PRO 19 0.648 15.591 2.905 140 2HB PRO 19 1HB PRO 19 2.200 15.396 3.739 141 1HG PRO 19 2HG PRO 19 0.820 13.569 1.865 142 2HG PRO 19 1HG PRO 19 2.549 13.839 2.116 143 1HD PRO 19 2HD PRO 19 1.110 11.684 3.085 144 2HD PRO 19 1HD PRO 19 2.681 12.227 3.709 145 H GLY 20 H GLY 20 -0.837 14.097 2.538 146 1HA GLY 20 2HA GLY 20 -3.414 13.977 3.970 147 2HA GLY 20 1HA GLY 20 -3.199 15.341 2.875 148 H THR 21 H THR 21 -1.948 12.052 2.331 149 HA THR 21 HA THR 21 -3.604 11.988 -0.126 150 HB THR 21 HB THR 21 -1.264 10.247 0.619 151 HG1 THR 21 1HG THR 21 -0.495 12.328 0.629 152 1HG2 THR 21 1HG2 THR 21 -1.159 10.253 -1.975 153 2HG2 THR 21 2HG2 THR 21 -2.794 10.896 -1.891 154 3HG2 THR 21 3HG2 THR 21 -2.434 9.316 -1.200 155 HA PRO 22 HA PRO 22 -5.899 8.739 1.792 156 1HB PRO 22 2HB PRO 22 -7.221 7.958 -0.475 157 2HB PRO 22 1HB PRO 22 -7.660 9.402 0.456 158 1HG PRO 22 2HG PRO 22 -6.072 9.182 -2.056 159 2HG PRO 22 1HG PRO 22 -7.276 10.396 -1.590 160 1HD PRO 22 2HD PRO 22 -4.583 10.839 -1.442 161 2HD PRO 22 1HD PRO 22 -5.753 11.617 -0.367 162 H GLU 23 H GLU 23 -4.895 6.885 2.220 163 HA GLU 23 HA GLU 23 -2.790 5.536 1.262 164 1HB GLU 23 2HB GLU 23 -5.499 4.344 1.935 165 2HB GLU 23 1HB GLU 23 -3.993 3.425 1.904 166 1HG GLU 23 2HG GLU 23 -3.215 4.375 3.829 167 2HG GLU 23 1HG GLU 23 -3.974 5.928 3.503 168 H ALA 24 H ALA 24 -5.933 5.528 -0.325 169 HA ALA 24 HA ALA 24 -5.533 3.545 -2.300 170 1HB ALA 24 1HB ALA 24 -7.083 6.139 -2.178 171 2HB ALA 24 2HB ALA 24 -7.691 4.499 -1.959 172 3HB ALA 24 3HB ALA 24 -7.204 5.052 -3.560 173 H LEU 25 H LEU 25 -4.839 7.072 -2.482 174 HA LEU 25 HA LEU 25 -3.656 6.881 -5.131 175 1HB LEU 25 2HB LEU 25 -4.580 8.830 -3.352 176 2HB LEU 25 1HB LEU 25 -2.850 9.141 -3.475 177 HG LEU 25 HG LEU 25 -4.017 8.541 -6.075 178 1HD1 LEU 25 1HD1 LEU 25 -4.913 11.189 -5.044 179 2HD1 LEU 25 2HD1 LEU 25 -5.856 9.777 -4.564 180 3HD1 LEU 25 3HD1 LEU 25 -5.642 10.155 -6.273 181 1HD2 LEU 25 1HD2 LEU 25 -1.902 10.000 -4.987 182 2HD2 LEU 25 2HD2 LEU 25 -2.992 11.239 -5.611 183 3HD2 LEU 25 3HD2 LEU 25 -2.380 9.981 -6.685 184 H CYS 26 H CYS 26 -2.499 6.343 -1.905 185 HA CYS 26 HA CYS 26 0.333 6.795 -2.563 186 1HB CYS 26 2HB CYS 26 -1.164 5.671 -0.179 187 2HB CYS 26 1HB CYS 26 0.583 5.906 -0.211 188 H ALA 27 H ALA 27 -1.915 4.140 -2.710 189 HA ALA 27 HA ALA 27 0.283 2.156 -2.796 190 1HB ALA 27 1HB ALA 27 -1.680 0.561 -2.876 191 2HB ALA 27 2HB ALA 27 -2.736 1.972 -2.797 192 3HB ALA 27 3HB ALA 27 -1.661 1.599 -1.451 193 H THR 28 H THR 28 -1.886 3.870 -4.737 194 HA THR 28 HA THR 28 -1.535 2.225 -7.153 195 HB THR 28 HB THR 28 -3.028 4.677 -6.265 196 HG1 THR 28 1HG THR 28 -4.023 2.620 -7.871 197 1HG2 THR 28 1HG2 THR 28 -2.084 5.380 -8.393 198 2HG2 THR 28 2HG2 THR 28 -3.799 5.022 -8.605 199 3HG2 THR 28 3HG2 THR 28 -2.582 3.865 -9.145 200 H TYR 29 H TYR 29 -0.096 4.956 -5.582 201 HA TYR 29 HA TYR 29 1.331 5.875 -8.016 202 1HB TYR 29 2HB TYR 29 0.429 7.555 -6.549 203 2HB TYR 29 1HB TYR 29 1.121 6.773 -5.130 204 HD1 TYR 29 1HD TYR 29 2.873 7.197 -8.375 205 HD2 TYR 29 2HD TYR 29 2.461 8.602 -4.336 206 HE1 TYR 29 1HE TYR 29 4.935 8.554 -8.636 207 HE2 TYR 29 2HE TYR 29 4.522 9.955 -4.596 208 HH TYR 29 HH TYR 29 5.788 11.011 -6.585 209 H THR 30 H THR 30 1.883 4.130 -5.000 210 HA THR 30 HA THR 30 4.800 3.997 -5.528 211 HB THR 30 HB THR 30 3.496 4.436 -3.273 212 HG1 THR 30 1HG THR 30 5.743 4.262 -3.462 213 1HG2 THR 30 1HG2 THR 30 3.873 1.541 -2.798 214 2HG2 THR 30 2HG2 THR 30 2.476 1.980 -3.780 215 3HG2 THR 30 3HG2 THR 30 2.653 2.642 -2.156 216 H GLY 31 H GLY 31 1.980 2.182 -6.175 217 1HA GLY 31 2HA GLY 31 2.301 0.260 -7.732 218 2HA GLY 31 1HA GLY 31 3.670 -0.223 -6.731 219 H CYS 32 H CYS 32 2.433 0.164 -4.180 220 HA CYS 32 HA CYS 32 1.311 -2.316 -3.606 221 1HB CYS 32 2HB CYS 32 0.914 0.435 -2.414 222 2HB CYS 32 1HB CYS 32 0.281 -1.021 -1.648 223 H ILE 33 H ILE 33 -1.100 -2.452 -2.651 224 HA ILE 33 HA ILE 33 -3.078 -1.091 -4.391 225 HB ILE 33 HB ILE 33 -3.868 -3.125 -5.370 226 1HG1 ILE 33 2HG1 ILE 33 -2.073 -4.489 -3.342 227 2HG1 ILE 33 1HG1 ILE 33 -3.831 -4.582 -3.446 228 1HG2 ILE 33 1HG2 ILE 33 -1.727 -2.239 -6.314 229 2HG2 ILE 33 2HG2 ILE 33 -1.906 -3.980 -6.532 230 3HG2 ILE 33 3HG2 ILE 33 -0.845 -3.355 -5.269 231 1HD1 ILE 33 1HD1 ILE 33 -1.807 -6.102 -4.908 232 2HD1 ILE 33 2HD1 ILE 33 -2.994 -5.360 -5.980 233 3HD1 ILE 33 3HD1 ILE 33 -3.524 -6.443 -4.691 234 H ILE 34 H ILE 34 -5.289 -1.407 -3.579 235 HA ILE 34 HA ILE 34 -5.443 -2.616 -0.843 236 HB ILE 34 HB ILE 34 -6.640 0.034 -1.695 237 1HG1 ILE 34 2HG1 ILE 34 -4.169 -0.416 -0.003 238 2HG1 ILE 34 1HG1 ILE 34 -4.105 -0.043 -1.724 239 1HG2 ILE 34 1HG2 ILE 34 -7.772 -1.026 0.192 240 2HG2 ILE 34 2HG2 ILE 34 -6.823 0.341 0.778 241 3HG2 ILE 34 3HG2 ILE 34 -6.226 -1.304 0.996 242 1HD1 ILE 34 1HD1 ILE 34 -5.742 1.930 -0.956 243 2HD1 ILE 34 2HD1 ILE 34 -3.988 2.100 -0.899 244 3HD1 ILE 34 3HD1 ILE 34 -4.882 1.696 0.566 245 H ILE 35 H ILE 35 -7.399 -3.647 -0.424 246 HA ILE 35 HA ILE 35 -9.591 -3.378 -2.439 247 HB ILE 35 HB ILE 35 -9.727 -5.810 -2.580 248 1HG1 ILE 35 2HG1 ILE 35 -8.691 -5.900 -0.104 249 2HG1 ILE 35 1HG1 ILE 35 -8.601 -7.269 -1.205 250 1HG2 ILE 35 1HG2 ILE 35 -8.200 -4.700 -4.136 251 2HG2 ILE 35 2HG2 ILE 35 -7.544 -6.268 -3.667 252 3HG2 ILE 35 3HG2 ILE 35 -6.895 -4.793 -2.953 253 1HD1 ILE 35 1HD1 ILE 35 -6.406 -6.825 -0.170 254 2HD1 ILE 35 2HD1 ILE 35 -6.431 -5.183 -0.811 255 3HD1 ILE 35 3HD1 ILE 35 -6.343 -6.557 -1.911 256 HA PRO 36 HA PRO 36 -12.211 -3.497 1.067 257 1HB PRO 36 2HB PRO 36 -14.404 -4.825 0.108 258 2HB PRO 36 1HB PRO 36 -13.993 -3.165 -0.369 259 1HG PRO 36 2HG PRO 36 -13.572 -5.715 -1.834 260 2HG PRO 36 1HG PRO 36 -14.007 -4.115 -2.451 261 1HD PRO 36 2HD PRO 36 -11.484 -5.183 -2.585 262 2HD PRO 36 1HD PRO 36 -11.831 -3.441 -2.594 263 H GLY 37 H GLY 37 -10.288 -5.391 1.463 264 1HA GLY 37 2HA GLY 37 -10.100 -7.185 3.031 265 2HA GLY 37 1HA GLY 37 -11.801 -7.562 2.771 266 H ALA 38 H ALA 38 -9.142 -9.101 2.543 267 HA ALA 38 HA ALA 38 -9.929 -10.978 0.557 268 1HB ALA 38 1HB ALA 38 -8.054 -8.767 -0.308 269 2HB ALA 38 2HB ALA 38 -9.574 -9.248 -1.063 270 3HB ALA 38 3HB ALA 38 -8.164 -10.300 -1.173 271 H THR 39 H THR 39 -7.327 -9.438 2.344 272 HA THR 39 HA THR 39 -5.586 -10.413 3.574 273 HB THR 39 HB THR 39 -7.567 -12.323 3.353 274 HG1 THR 39 1HG THR 39 -6.437 -13.282 5.071 275 1HG2 THR 39 1HG2 THR 39 -5.967 -13.280 1.498 276 2HG2 THR 39 2HG2 THR 39 -6.693 -14.376 2.674 277 3HG2 THR 39 3HG2 THR 39 -5.023 -13.845 2.875 278 H CYS 40 H CYS 40 -5.956 -10.477 0.335 279 HA CYS 40 HA CYS 40 -4.515 -10.809 -1.504 280 1HB CYS 40 2HB CYS 40 -2.982 -9.792 0.844 281 2HB CYS 40 1HB CYS 40 -2.073 -10.227 -0.603 282 HA PRO 41 HA PRO 41 -2.603 -14.766 -1.548 283 1HB PRO 41 2HB PRO 41 -0.469 -14.402 -3.216 284 2HB PRO 41 1HB PRO 41 -2.145 -14.399 -3.795 285 1HG PRO 41 2HG PRO 41 -0.329 -12.108 -3.235 286 2HG PRO 41 1HG PRO 41 -1.502 -12.325 -4.543 287 1HD PRO 41 2HD PRO 41 -1.965 -10.795 -2.334 288 2HD PRO 41 1HD PRO 41 -3.249 -11.582 -3.273 289 H GLY 42 H GLY 42 0.169 -15.394 -1.806 290 1HA GLY 42 2HA GLY 42 1.145 -14.534 0.871 291 2HA GLY 42 1HA GLY 42 1.697 -15.960 -0.005 292 H ASP 43 H ASP 43 1.404 -13.370 -2.127 293 HA ASP 43 HA ASP 43 4.350 -12.853 -1.958 294 1HB ASP 43 2HB ASP 43 2.762 -13.832 -4.001 295 2HB ASP 43 1HB ASP 43 2.883 -12.118 -4.404 296 H TYR 44 H TYR 44 1.169 -11.433 -1.918 297 HA TYR 44 HA TYR 44 2.352 -8.682 -1.973 298 1HB TYR 44 2HB TYR 44 -0.484 -9.680 -2.388 299 2HB TYR 44 1HB TYR 44 0.055 -8.013 -2.586 300 HD1 TYR 44 1HD TYR 44 2.825 -8.824 -3.762 301 HD2 TYR 44 2HD TYR 44 -1.211 -9.946 -4.704 302 HE1 TYR 44 1HE TYR 44 3.505 -9.305 -6.095 303 HE2 TYR 44 2HE TYR 44 -0.530 -10.430 -7.038 304 HH TYR 44 HH TYR 44 2.859 -10.327 -8.020 305 H ALA 45 H ALA 45 1.674 -10.927 0.253 306 HA ALA 45 HA ALA 45 0.001 -9.338 2.088 307 1HB ALA 45 1HB ALA 45 0.444 -11.330 3.563 308 2HB ALA 45 2HB ALA 45 1.507 -11.964 2.307 309 3HB ALA 45 3HB ALA 45 -0.216 -11.762 1.986 310 H ASN 46 H ASN 46 2.663 -8.242 1.221 311 HA ASN 46 HA ASN 46 4.095 -8.243 3.851 312 1HB ASN 46 2HB ASN 46 4.842 -8.392 1.038 313 2HB ASN 46 1HB ASN 46 5.692 -7.082 1.860 314 1HD2 ASN 46 1HD2 ASN 46 6.014 -8.148 4.438 315 2HD2 ASN 46 2HD2 ASN 46 6.980 -9.541 4.361 Start of MODEL 18 1 1H THR 1 1HT THR 1 -7.881 -2.061 4.713 2 2H THR 1 2HT THR 1 -8.685 -3.429 5.321 3 3H THR 1 3HT THR 1 -8.366 -3.297 3.657 4 HA THR 1 HA THR 1 -6.330 -3.606 5.809 5 HB THR 1 HB THR 1 -7.377 -5.407 3.603 6 HG1 THR 1 1HG THR 1 -7.730 -6.612 5.774 7 1HG2 THR 1 1HG2 THR 1 -5.169 -6.087 3.801 8 2HG2 THR 1 2HG2 THR 1 -5.921 -7.061 5.066 9 3HG2 THR 1 3HG2 THR 1 -5.058 -5.582 5.487 10 H THR 2 H THR 2 -4.159 -4.082 4.772 11 HA THR 2 HA THR 2 -3.850 -2.765 2.100 12 HB THR 2 HB THR 2 -2.206 -2.300 4.611 13 HG1 THR 2 1HG THR 2 -3.357 -0.537 4.854 14 1HG2 THR 2 1HG2 THR 2 -2.047 -0.679 2.088 15 2HG2 THR 2 2HG2 THR 2 -1.149 -2.190 2.211 16 3HG2 THR 2 3HG2 THR 2 -0.837 -0.887 3.356 17 H CYS 3 H CYS 3 -2.541 -3.953 0.760 18 HA CYS 3 HA CYS 3 -0.674 -5.942 2.003 19 1HB CYS 3 2HB CYS 3 -2.930 -6.247 0.082 20 2HB CYS 3 1HB CYS 3 -1.484 -7.196 -0.260 21 H CYS 4 H CYS 4 1.228 -4.785 1.509 22 HA CYS 4 HA CYS 4 1.620 -3.780 -1.262 23 1HB CYS 4 2HB CYS 4 3.372 -3.582 1.208 24 2HB CYS 4 1HB CYS 4 3.504 -2.609 -0.256 25 HA PRO 5 HA PRO 5 4.175 -7.110 -2.517 26 1HB PRO 5 2HB PRO 5 6.137 -5.818 -3.925 27 2HB PRO 5 1HB PRO 5 4.479 -6.029 -4.523 28 1HG PRO 5 2HG PRO 5 5.726 -3.655 -3.215 29 2HG PRO 5 1HG PRO 5 4.639 -3.729 -4.613 30 1HD PRO 5 2HD PRO 5 3.761 -3.057 -2.155 31 2HD PRO 5 1HD PRO 5 2.754 -3.960 -3.308 32 H SER 6 H SER 6 5.424 -4.755 -0.330 33 HA SER 6 HA SER 6 7.155 -6.564 0.988 34 1HB SER 6 2HB SER 6 8.123 -5.622 -1.541 35 2HB SER 6 1HB SER 6 9.159 -4.973 -0.275 36 HG SER 6 HG SER 6 9.899 -7.007 -0.833 37 H ILE 7 H ILE 7 8.920 -5.301 2.291 38 HA ILE 7 HA ILE 7 7.706 -3.282 3.847 39 HB ILE 7 HB ILE 7 10.596 -4.006 3.277 40 1HG1 ILE 7 2HG1 ILE 7 9.112 -5.748 4.292 41 2HG1 ILE 7 1HG1 ILE 7 10.419 -5.251 5.367 42 1HG2 ILE 7 1HG2 ILE 7 10.747 -1.827 4.184 43 2HG2 ILE 7 2HG2 ILE 7 10.930 -2.886 5.581 44 3HG2 ILE 7 3HG2 ILE 7 9.385 -2.092 5.273 45 1HD1 ILE 7 1HD1 ILE 7 7.538 -4.317 5.466 46 2HD1 ILE 7 2HD1 ILE 7 8.831 -3.639 6.454 47 3HD1 ILE 7 3HD1 ILE 7 8.362 -5.328 6.652 48 H VAL 8 H VAL 8 9.877 -2.999 1.037 49 HA VAL 8 HA VAL 8 10.324 -0.214 1.038 50 HB VAL 8 HB VAL 8 9.893 -2.213 -1.203 51 1HG1 VAL 8 1HG1 VAL 8 9.911 0.552 -1.446 52 2HG1 VAL 8 2HG1 VAL 8 10.302 -0.594 -2.730 53 3HG1 VAL 8 3HG1 VAL 8 11.591 0.109 -1.753 54 1HG2 VAL 8 1HG2 VAL 8 11.829 -2.242 0.666 55 2HG2 VAL 8 2HG2 VAL 8 12.551 -1.086 -0.453 56 3HG2 VAL 8 3HG2 VAL 8 12.135 -2.708 -1.007 57 H ALA 9 H ALA 9 7.860 -1.864 -0.982 58 HA ALA 9 HA ALA 9 6.383 0.378 -1.776 59 1HB ALA 9 1HB ALA 9 5.999 -1.893 -2.599 60 2HB ALA 9 2HB ALA 9 4.494 -1.277 -1.917 61 3HB ALA 9 3HB ALA 9 5.477 -2.414 -0.997 62 H ARG 10 H ARG 10 5.392 -1.768 0.915 63 HA ARG 10 HA ARG 10 3.448 -0.223 2.115 64 1HB ARG 10 2HB ARG 10 4.519 -2.527 2.641 65 2HB ARG 10 1HB ARG 10 5.625 -1.620 3.669 66 1HG ARG 10 2HG ARG 10 4.046 -1.740 5.277 67 2HG ARG 10 1HG ARG 10 3.095 -0.614 4.305 68 1HD ARG 10 2HD ARG 10 1.552 -2.285 4.176 69 2HD ARG 10 1HD ARG 10 2.677 -3.069 3.052 70 HE ARG 10 HE ARG 10 3.585 -4.349 4.901 71 1HH1 ARG 10 1HH2 ARG 10 0.579 -4.691 5.237 72 2HH1 ARG 10 2HH2 ARG 10 0.392 -4.406 6.935 73 1HH2 ARG 10 1HH1 ARG 10 3.508 -2.934 7.301 74 2HH2 ARG 10 2HH1 ARG 10 2.049 -3.412 8.103 75 H SER 11 H SER 11 6.909 0.377 2.061 76 HA SER 11 HA SER 11 7.018 2.244 4.259 77 1HB SER 11 2HB SER 11 9.220 2.151 3.719 78 2HB SER 11 1HB SER 11 8.759 0.966 2.504 79 HG SER 11 HG SER 11 9.658 3.492 2.197 80 H ASN 12 H ASN 12 6.894 2.758 0.705 81 HA ASN 12 HA ASN 12 6.570 5.631 0.919 82 1HB ASN 12 2HB ASN 12 5.657 3.898 -1.382 83 2HB ASN 12 1HB ASN 12 6.368 5.511 -1.441 84 1HD2 ASN 12 1HD2 ASN 12 7.089 2.201 -1.768 85 2HD2 ASN 12 2HD2 ASN 12 8.779 2.308 -1.652 86 H PHE 13 H PHE 13 4.305 2.993 0.106 87 HA PHE 13 HA PHE 13 1.903 4.298 -0.214 88 1HB PHE 13 2HB PHE 13 2.130 1.899 -0.334 89 2HB PHE 13 1HB PHE 13 2.612 1.807 1.361 90 HD1 PHE 13 1HD PHE 13 0.977 1.086 2.844 91 HD2 PHE 13 2HD PHE 13 -0.183 3.291 -0.649 92 HE1 PHE 13 1HE PHE 13 -1.406 0.885 3.508 93 HE2 PHE 13 2HE PHE 13 -2.563 3.088 0.009 94 HZ PHE 13 HZ PHE 13 -3.176 1.885 2.089 95 H ASN 14 H ASN 14 3.385 3.456 2.920 96 HA ASN 14 HA ASN 14 1.301 4.772 4.487 97 1HB ASN 14 2HB ASN 14 3.934 3.404 4.925 98 2HB ASN 14 1HB ASN 14 3.283 4.396 6.231 99 1HD2 ASN 14 1HD2 ASN 14 3.519 1.469 6.319 100 2HD2 ASN 14 2HD2 ASN 14 1.943 0.852 6.455 101 H VAL 15 H VAL 15 4.237 5.719 2.930 102 HA VAL 15 HA VAL 15 4.708 8.107 4.558 103 HB VAL 15 HB VAL 15 6.020 6.455 2.626 104 1HG1 VAL 15 1HG1 VAL 15 6.040 9.396 1.883 105 2HG1 VAL 15 2HG1 VAL 15 5.366 8.091 0.907 106 3HG1 VAL 15 3HG1 VAL 15 7.103 8.163 1.206 107 1HG2 VAL 15 1HG2 VAL 15 6.849 7.331 4.825 108 2HG2 VAL 15 2HG2 VAL 15 7.062 8.905 4.058 109 3HG2 VAL 15 3HG2 VAL 15 7.998 7.518 3.500 110 H CYS 16 H CYS 16 2.946 7.260 1.664 111 HA CYS 16 HA CYS 16 2.583 10.052 0.801 112 1HB CYS 16 2HB CYS 16 2.712 8.589 -0.997 113 2HB CYS 16 1HB CYS 16 1.921 7.283 -0.121 114 H ARG 17 H ARG 17 0.914 7.708 2.780 115 HA ARG 17 HA ARG 17 -1.659 9.149 2.678 116 1HB ARG 17 2HB ARG 17 -1.697 6.740 2.759 117 2HB ARG 17 1HB ARG 17 -0.582 6.712 4.126 118 1HG ARG 17 2HG ARG 17 -2.908 6.325 4.866 119 2HG ARG 17 1HG ARG 17 -2.266 7.827 5.534 120 1HD ARG 17 2HD ARG 17 -3.374 9.090 3.684 121 2HD ARG 17 1HD ARG 17 -4.099 7.571 3.125 122 HE ARG 17 HE ARG 17 -5.014 7.413 5.548 123 1HH1 ARG 17 1HH1 ARG 17 -3.897 9.997 6.507 124 2HH1 ARG 17 2HH1 ARG 17 -5.222 11.088 6.268 125 1HH2 ARG 17 1HH2 ARG 17 -6.918 8.977 4.103 126 2HH2 ARG 17 2HH2 ARG 17 -6.928 10.513 4.904 127 H LEU 18 H LEU 18 1.268 9.477 4.301 128 HA LEU 18 HA LEU 18 0.427 10.115 6.966 129 1HB LEU 18 2HB LEU 18 2.763 9.980 5.315 130 2HB LEU 18 1HB LEU 18 2.769 11.523 6.158 131 HG LEU 18 HG LEU 18 2.322 8.846 7.501 132 1HD1 LEU 18 1HD1 LEU 18 4.560 8.597 7.275 133 2HD1 LEU 18 2HD1 LEU 18 4.710 9.924 8.428 134 3HD1 LEU 18 3HD1 LEU 18 4.761 10.251 6.696 135 1HD2 LEU 18 1HD2 LEU 18 1.915 11.569 8.317 136 2HD2 LEU 18 2HD2 LEU 18 3.251 10.897 9.252 137 3HD2 LEU 18 3HD2 LEU 18 1.680 10.099 9.263 138 HA PRO 19 HA PRO 19 0.480 14.617 5.321 139 1HB PRO 19 2HB PRO 19 0.258 14.990 2.622 140 2HB PRO 19 1HB PRO 19 1.815 14.870 3.462 141 1HG PRO 19 2HG PRO 19 0.374 12.839 1.850 142 2HG PRO 19 1HG PRO 19 2.110 13.136 2.008 143 1HD PRO 19 2HD PRO 19 0.759 11.110 3.268 144 2HD PRO 19 1HD PRO 19 2.300 11.786 3.831 145 H GLY 20 H GLY 20 -1.271 13.365 2.500 146 1HA GLY 20 2HA GLY 20 -3.830 13.309 3.859 147 2HA GLY 20 1HA GLY 20 -3.634 14.768 2.883 148 H THR 21 H THR 21 -2.140 11.731 1.951 149 HA THR 21 HA THR 21 -3.756 11.769 -0.503 150 HB THR 21 HB THR 21 -1.536 9.864 0.160 151 HG1 THR 21 1HG THR 21 -1.051 12.386 -0.990 152 1HG2 THR 21 1HG2 THR 21 -2.710 11.119 -2.316 153 2HG2 THR 21 2HG2 THR 21 -2.537 9.408 -1.924 154 3HG2 THR 21 3HG2 THR 21 -1.119 10.366 -2.347 155 HA PRO 22 HA PRO 22 -6.102 8.321 0.904 156 1HB PRO 22 2HB PRO 22 -7.124 7.628 -1.539 157 2HB PRO 22 1HB PRO 22 -7.711 9.019 -0.607 158 1HG PRO 22 2HG PRO 22 -5.875 8.944 -2.942 159 2HG PRO 22 1HG PRO 22 -7.107 10.141 -2.513 160 1HD PRO 22 2HD PRO 22 -4.401 10.485 -2.086 161 2HD PRO 22 1HD PRO 22 -5.665 11.317 -1.171 162 H GLU 23 H GLU 23 -5.221 6.378 1.288 163 HA GLU 23 HA GLU 23 -2.924 5.200 0.524 164 1HB GLU 23 2HB GLU 23 -5.671 4.005 0.927 165 2HB GLU 23 1HB GLU 23 -4.233 2.993 0.783 166 1HG GLU 23 2HG GLU 23 -3.199 4.358 2.640 167 2HG GLU 23 1HG GLU 23 -4.768 5.131 2.860 168 H ALA 24 H ALA 24 -5.775 5.401 -1.554 169 HA ALA 24 HA ALA 24 -5.095 3.482 -3.532 170 1HB ALA 24 1HB ALA 24 -7.215 4.359 -3.787 171 2HB ALA 24 2HB ALA 24 -6.371 5.393 -4.939 172 3HB ALA 24 3HB ALA 24 -6.711 5.980 -3.311 173 H LEU 25 H LEU 25 -4.300 6.989 -3.405 174 HA LEU 25 HA LEU 25 -2.658 6.935 -5.784 175 1HB LEU 25 2HB LEU 25 -3.764 8.760 -3.939 176 2HB LEU 25 1HB LEU 25 -2.021 9.003 -3.863 177 HG LEU 25 HG LEU 25 -2.542 8.715 -6.585 178 1HD1 LEU 25 1HD1 LEU 25 -4.410 10.051 -7.131 179 2HD1 LEU 25 2HD1 LEU 25 -4.525 10.711 -5.500 180 3HD1 LEU 25 3HD1 LEU 25 -4.995 9.039 -5.809 181 1HD2 LEU 25 1HD2 LEU 25 -2.321 11.355 -6.392 182 2HD2 LEU 25 2HD2 LEU 25 -0.957 10.305 -6.009 183 3HD2 LEU 25 3HD2 LEU 25 -1.947 10.973 -4.711 184 H CYS 26 H CYS 26 -2.091 6.317 -2.374 185 HA CYS 26 HA CYS 26 0.811 6.507 -2.481 186 1HB CYS 26 2HB CYS 26 -1.001 5.074 -0.515 187 2HB CYS 26 1HB CYS 26 0.625 5.687 -0.207 188 H ALA 27 H ALA 27 -1.567 3.907 -2.872 189 HA ALA 27 HA ALA 27 0.592 1.891 -3.067 190 1HB ALA 27 1HB ALA 27 -1.974 0.814 -3.633 191 2HB ALA 27 2HB ALA 27 -2.191 1.991 -2.337 192 3HB ALA 27 3HB ALA 27 -1.060 0.652 -2.133 193 H THR 28 H THR 28 -0.880 4.057 -5.023 194 HA THR 28 HA THR 28 -1.088 2.405 -7.448 195 HB THR 28 HB THR 28 -1.872 5.053 -6.433 196 HG1 THR 28 1HG THR 28 -3.351 3.464 -6.962 197 1HG2 THR 28 1HG2 THR 28 -0.294 5.854 -8.122 198 2HG2 THR 28 2HG2 THR 28 -1.950 6.137 -8.658 199 3HG2 THR 28 3HG2 THR 28 -1.025 4.796 -9.330 200 H TYR 29 H TYR 29 1.055 4.857 -6.030 201 HA TYR 29 HA TYR 29 2.840 4.824 -8.385 202 1HB TYR 29 2HB TYR 29 2.369 6.899 -7.160 203 2HB TYR 29 1HB TYR 29 2.964 6.172 -5.667 204 HD1 TYR 29 1HD TYR 29 4.447 5.608 -9.011 205 HD2 TYR 29 2HD TYR 29 4.805 7.684 -5.267 206 HE1 TYR 29 1HE TYR 29 6.758 6.282 -9.605 207 HE2 TYR 29 2HE TYR 29 7.117 8.358 -5.862 208 HH TYR 29 HH TYR 29 8.915 7.670 -7.315 209 H THR 30 H THR 30 2.860 3.727 -4.984 210 HA THR 30 HA THR 30 5.560 2.624 -5.202 211 HB THR 30 HB THR 30 4.226 3.584 -3.168 212 HG1 THR 30 1HG THR 30 6.012 1.466 -3.339 213 1HG2 THR 30 1HG2 THR 30 2.488 1.617 -3.705 214 2HG2 THR 30 2HG2 THR 30 2.754 2.222 -2.069 215 3HG2 THR 30 3HG2 THR 30 3.555 0.744 -2.604 216 H GLY 31 H GLY 31 2.379 1.530 -5.976 217 1HA GLY 31 2HA GLY 31 2.085 -0.480 -7.316 218 2HA GLY 31 1HA GLY 31 3.503 -1.172 -6.530 219 H CYS 32 H CYS 32 2.731 -0.489 -3.822 220 HA CYS 32 HA CYS 32 1.418 -2.739 -2.914 221 1HB CYS 32 2HB CYS 32 2.436 -1.037 -1.480 222 2HB CYS 32 1HB CYS 32 1.173 0.116 -1.915 223 H ILE 33 H ILE 33 -0.837 -3.112 -2.220 224 HA ILE 33 HA ILE 33 -2.859 -1.503 -3.729 225 HB ILE 33 HB ILE 33 -3.888 -3.691 -4.377 226 1HG1 ILE 33 2HG1 ILE 33 -1.584 -5.353 -4.019 227 2HG1 ILE 33 1HG1 ILE 33 -1.992 -4.646 -2.455 228 1HG2 ILE 33 1HG2 ILE 33 -1.426 -4.290 -5.606 229 2HG2 ILE 33 2HG2 ILE 33 -1.393 -2.550 -5.318 230 3HG2 ILE 33 3HG2 ILE 33 -2.707 -3.264 -6.252 231 1HD1 ILE 33 1HD1 ILE 33 -4.275 -5.451 -2.624 232 2HD1 ILE 33 2HD1 ILE 33 -3.187 -6.807 -2.916 233 3HD1 ILE 33 3HD1 ILE 33 -3.996 -6.018 -4.270 234 H ILE 34 H ILE 34 -4.865 -1.351 -2.685 235 HA ILE 34 HA ILE 34 -4.959 -2.415 0.109 236 HB ILE 34 HB ILE 34 -6.431 -0.145 -1.270 237 1HG1 ILE 34 2HG1 ILE 34 -4.811 0.959 0.644 238 2HG1 ILE 34 1HG1 ILE 34 -3.810 -0.375 0.074 239 1HG2 ILE 34 1HG2 ILE 34 -7.767 -0.165 0.542 240 2HG2 ILE 34 2HG2 ILE 34 -6.352 0.148 1.548 241 3HG2 ILE 34 3HG2 ILE 34 -6.858 -1.511 1.231 242 1HD1 ILE 34 1HD1 ILE 34 -3.652 1.913 -1.164 243 2HD1 ILE 34 2HD1 ILE 34 -5.190 1.444 -1.888 244 3HD1 ILE 34 3HD1 ILE 34 -3.760 0.441 -2.128 245 H ILE 35 H ILE 35 -6.981 -3.367 0.834 246 HA ILE 35 HA ILE 35 -8.972 -4.004 -1.298 247 HB ILE 35 HB ILE 35 -8.819 -6.411 -0.425 248 1HG1 ILE 35 2HG1 ILE 35 -6.102 -5.523 0.552 249 2HG1 ILE 35 1HG1 ILE 35 -7.494 -5.572 1.635 250 1HG2 ILE 35 1HG2 ILE 35 -6.917 -6.925 -1.860 251 2HG2 ILE 35 2HG2 ILE 35 -6.339 -5.263 -1.741 252 3HG2 ILE 35 3HG2 ILE 35 -7.845 -5.614 -2.589 253 1HD1 ILE 35 1HD1 ILE 35 -6.775 -7.959 -0.059 254 2HD1 ILE 35 2HD1 ILE 35 -7.735 -7.906 1.419 255 3HD1 ILE 35 3HD1 ILE 35 -5.987 -7.683 1.493 256 HA PRO 36 HA PRO 36 -11.804 -3.442 2.015 257 1HB PRO 36 2HB PRO 36 -13.907 -4.935 1.104 258 2HB PRO 36 1HB PRO 36 -13.461 -3.370 0.398 259 1HG PRO 36 2HG PRO 36 -12.936 -6.114 -0.601 260 2HG PRO 36 1HG PRO 36 -13.292 -4.632 -1.500 261 1HD PRO 36 2HD PRO 36 -10.780 -5.721 -1.216 262 2HD PRO 36 1HD PRO 36 -11.103 -4.013 -1.583 263 H GLY 37 H GLY 37 -10.251 -6.338 1.402 264 1HA GLY 37 2HA GLY 37 -11.217 -7.473 3.967 265 2HA GLY 37 1HA GLY 37 -11.285 -8.498 2.533 266 H ALA 38 H ALA 38 -9.711 -9.968 3.090 267 HA ALA 38 HA ALA 38 -6.905 -8.927 3.200 268 1HB ALA 38 1HB ALA 38 -6.901 -11.096 4.869 269 2HB ALA 38 2HB ALA 38 -8.500 -10.416 5.175 270 3HB ALA 38 3HB ALA 38 -7.058 -9.425 5.412 271 H THR 39 H THR 39 -8.103 -9.940 0.933 272 HA THR 39 HA THR 39 -7.171 -12.759 0.731 273 HB THR 39 HB THR 39 -9.561 -11.767 0.210 274 HG1 THR 39 1HG THR 39 -9.422 -13.400 -1.703 275 1HG2 THR 39 1HG2 THR 39 -9.868 -10.736 -1.792 276 2HG2 THR 39 2HG2 THR 39 -8.619 -11.693 -2.589 277 3HG2 THR 39 3HG2 THR 39 -8.170 -10.308 -1.594 278 H CYS 40 H CYS 40 -5.858 -9.893 0.265 279 HA CYS 40 HA CYS 40 -4.971 -9.643 -2.375 280 1HB CYS 40 2HB CYS 40 -2.988 -8.552 -1.376 281 2HB CYS 40 1HB CYS 40 -4.453 -8.093 -0.514 282 HA PRO 41 HA PRO 41 -2.559 -13.162 -3.304 283 1HB PRO 41 2HB PRO 41 -0.431 -12.106 -4.667 284 2HB PRO 41 1HB PRO 41 -2.069 -12.201 -5.346 285 1HG PRO 41 2HG PRO 41 -0.670 -9.887 -4.094 286 2HG PRO 41 1HG PRO 41 -1.716 -9.933 -5.523 287 1HD PRO 41 2HD PRO 41 -2.575 -9.073 -3.103 288 2HD PRO 41 1HD PRO 41 -3.648 -9.870 -4.274 289 H GLY 42 H GLY 42 -0.486 -14.272 -2.877 290 1HA GLY 42 2HA GLY 42 0.623 -13.549 -0.294 291 2HA GLY 42 1HA GLY 42 1.141 -14.904 -1.298 292 H ASP 43 H ASP 43 1.274 -12.499 -3.437 293 HA ASP 43 HA ASP 43 4.171 -12.073 -2.988 294 1HB ASP 43 2HB ASP 43 2.220 -11.441 -5.226 295 2HB ASP 43 1HB ASP 43 3.939 -11.052 -5.299 296 H TYR 44 H TYR 44 1.143 -10.444 -2.657 297 HA TYR 44 HA TYR 44 2.566 -7.868 -2.086 298 1HB TYR 44 2HB TYR 44 -0.300 -8.309 -2.975 299 2HB TYR 44 1HB TYR 44 0.571 -6.775 -2.917 300 HD1 TYR 44 1HD TYR 44 -0.782 -8.290 -5.351 301 HD2 TYR 44 2HD TYR 44 3.251 -7.907 -3.933 302 HE1 TYR 44 1HE TYR 44 0.061 -8.672 -7.651 303 HE2 TYR 44 2HE TYR 44 4.097 -8.288 -6.233 304 HH TYR 44 HH TYR 44 2.622 -9.664 -8.529 305 H ALA 45 H ALA 45 1.422 -10.429 -0.526 306 HA ALA 45 HA ALA 45 -0.367 -9.106 1.414 307 1HB ALA 45 1HB ALA 45 0.710 -11.853 0.862 308 2HB ALA 45 2HB ALA 45 -0.967 -11.322 0.985 309 3HB ALA 45 3HB ALA 45 0.007 -11.516 2.443 310 H ASN 46 H ASN 46 2.469 -8.167 1.148 311 HA ASN 46 HA ASN 46 3.536 -8.947 3.835 312 1HB ASN 46 2HB ASN 46 4.743 -9.162 1.477 313 2HB ASN 46 1HB ASN 46 5.089 -7.453 1.751 314 1HD2 ASN 46 1HD2 ASN 46 5.037 -8.069 4.789 315 2HD2 ASN 46 2HD2 ASN 46 6.564 -8.745 5.084 Start of MODEL 19 1 1H THR 1 1HT THR 1 -7.448 -0.852 3.454 2 2H THR 1 2HT THR 1 -8.354 -1.877 4.461 3 3H THR 1 3HT THR 1 -8.089 -2.296 2.836 4 HA THR 1 HA THR 1 -6.078 -2.218 5.024 5 HB THR 1 HB THR 1 -7.383 -4.314 3.269 6 HG1 THR 1 1HG THR 1 -7.187 -3.863 6.059 7 1HG2 THR 1 1HG2 THR 1 -4.979 -4.568 5.097 8 2HG2 THR 1 2HG2 THR 1 -5.010 -4.841 3.355 9 3HG2 THR 1 3HG2 THR 1 -5.874 -5.936 4.436 10 H THR 2 H THR 2 -3.976 -1.928 4.367 11 HA THR 2 HA THR 2 -3.459 -1.532 1.464 12 HB THR 2 HB THR 2 -2.208 -0.742 4.082 13 HG1 THR 2 1HG THR 2 -2.924 0.630 1.707 14 1HG2 THR 2 1HG2 THR 2 -0.182 -1.234 3.111 15 2HG2 THR 2 2HG2 THR 2 -0.451 0.349 2.381 16 3HG2 THR 2 3HG2 THR 2 -0.822 -1.116 1.472 17 H CYS 3 H CYS 3 -1.903 -2.767 0.350 18 HA CYS 3 HA CYS 3 -0.399 -4.857 1.854 19 1HB CYS 3 2HB CYS 3 -2.634 -5.186 -0.096 20 2HB CYS 3 1HB CYS 3 -1.292 -6.323 -0.222 21 H CYS 4 H CYS 4 1.703 -4.465 1.182 22 HA CYS 4 HA CYS 4 2.139 -3.580 -1.637 23 1HB CYS 4 2HB CYS 4 3.450 -3.173 1.010 24 2HB CYS 4 1HB CYS 4 4.498 -3.176 -0.409 25 HA PRO 5 HA PRO 5 4.122 -7.356 -2.625 26 1HB PRO 5 2HB PRO 5 5.919 -6.501 -4.496 27 2HB PRO 5 1HB PRO 5 4.173 -6.588 -4.800 28 1HG PRO 5 2HG PRO 5 5.875 -4.235 -4.198 29 2HG PRO 5 1HG PRO 5 4.453 -4.366 -5.241 30 1HD PRO 5 2HD PRO 5 4.447 -3.291 -2.699 31 2HD PRO 5 1HD PRO 5 3.015 -3.924 -3.538 32 H SER 6 H SER 6 6.051 -4.684 -1.439 33 HA SER 6 HA SER 6 8.056 -6.663 -0.436 34 1HB SER 6 2HB SER 6 9.761 -4.810 -1.088 35 2HB SER 6 1HB SER 6 9.103 -5.815 -2.375 36 HG SER 6 HG SER 6 8.824 -3.769 -3.074 37 H ILE 7 H ILE 7 9.533 -5.516 1.225 38 HA ILE 7 HA ILE 7 7.902 -4.284 3.265 39 HB ILE 7 HB ILE 7 10.914 -4.500 2.947 40 1HG1 ILE 7 2HG1 ILE 7 8.987 -6.376 4.351 41 2HG1 ILE 7 1HG1 ILE 7 9.635 -6.663 2.736 42 1HG2 ILE 7 1HG2 ILE 7 9.252 -4.334 5.473 43 2HG2 ILE 7 2HG2 ILE 7 10.024 -2.934 4.729 44 3HG2 ILE 7 3HG2 ILE 7 11.009 -4.262 5.341 45 1HD1 ILE 7 1HD1 ILE 7 11.165 -7.833 4.049 46 2HD1 ILE 7 2HD1 ILE 7 11.062 -6.676 5.376 47 3HD1 ILE 7 3HD1 ILE 7 11.956 -6.264 3.914 48 H VAL 8 H VAL 8 10.125 -3.050 0.807 49 HA VAL 8 HA VAL 8 10.352 -0.365 1.853 50 HB VAL 8 HB VAL 8 10.653 -1.552 -0.926 51 1HG1 VAL 8 1HG1 VAL 8 10.824 0.611 -1.572 52 2HG1 VAL 8 2HG1 VAL 8 12.356 0.624 -0.697 53 3HG1 VAL 8 3HG1 VAL 8 10.884 1.184 0.096 54 1HG2 VAL 8 1HG2 VAL 8 13.157 -1.133 -0.091 55 2HG2 VAL 8 2HG2 VAL 8 12.297 -2.624 0.297 56 3HG2 VAL 8 3HG2 VAL 8 12.400 -1.328 1.490 57 H ALA 9 H ALA 9 8.232 -1.876 -0.593 58 HA ALA 9 HA ALA 9 6.847 0.509 -1.375 59 1HB ALA 9 1HB ALA 9 5.949 -2.392 -1.292 60 2HB ALA 9 2HB ALA 9 6.887 -1.656 -2.591 61 3HB ALA 9 3HB ALA 9 5.235 -1.124 -2.286 62 H ARG 10 H ARG 10 6.324 -1.809 1.263 63 HA ARG 10 HA ARG 10 3.733 -0.851 2.063 64 1HB ARG 10 2HB ARG 10 4.215 -2.936 2.888 65 2HB ARG 10 1HB ARG 10 5.938 -2.609 2.980 66 1HG ARG 10 2HG ARG 10 5.090 -0.995 4.978 67 2HG ARG 10 1HG ARG 10 3.824 -2.220 5.030 68 1HD ARG 10 2HD ARG 10 6.621 -3.208 4.755 69 2HD ARG 10 1HD ARG 10 6.150 -2.543 6.327 70 HE ARG 10 HE ARG 10 4.839 -4.849 4.979 71 1HH1 ARG 10 1HH1 ARG 10 3.425 -2.664 6.849 72 2HH1 ARG 10 2HH1 ARG 10 3.255 -3.627 8.278 73 1HH2 ARG 10 1HH2 ARG 10 5.383 -6.129 7.163 74 2HH2 ARG 10 2HH2 ARG 10 4.361 -5.591 8.456 75 H SER 11 H SER 11 7.056 -0.080 3.101 76 HA SER 11 HA SER 11 6.376 1.768 5.181 77 1HB SER 11 2HB SER 11 8.658 0.703 3.870 78 2HB SER 11 1HB SER 11 8.805 2.456 3.779 79 HG SER 11 HG SER 11 8.251 0.950 6.126 80 H ASN 12 H ASN 12 7.125 2.269 1.718 81 HA ASN 12 HA ASN 12 6.803 5.126 1.732 82 1HB ASN 12 2HB ASN 12 6.270 3.226 -0.565 83 2HB ASN 12 1HB ASN 12 6.925 4.862 -0.645 84 1HD2 ASN 12 1HD2 ASN 12 8.288 2.523 -1.733 85 2HD2 ASN 12 2HD2 ASN 12 9.729 2.327 -0.857 86 H PHE 13 H PHE 13 4.595 2.525 0.651 87 HA PHE 13 HA PHE 13 2.318 3.940 -0.052 88 1HB PHE 13 2HB PHE 13 2.842 1.426 0.063 89 2HB PHE 13 1HB PHE 13 2.331 1.502 1.746 90 HD1 PHE 13 1HD PHE 13 0.424 3.954 0.257 91 HD2 PHE 13 2HD PHE 13 0.809 -0.322 0.320 92 HE1 PHE 13 1HE PHE 13 -1.939 3.723 -0.460 93 HE2 PHE 13 2HE PHE 13 -1.552 -0.549 -0.396 94 HZ PHE 13 HZ PHE 13 -2.927 1.476 -0.785 95 H ASN 14 H ASN 14 3.225 2.948 3.259 96 HA ASN 14 HA ASN 14 1.004 4.335 4.528 97 1HB ASN 14 2HB ASN 14 3.586 3.020 5.401 98 2HB ASN 14 1HB ASN 14 2.506 3.788 6.566 99 1HD2 ASN 14 1HD2 ASN 14 2.815 1.088 6.917 100 2HD2 ASN 14 2HD2 ASN 14 1.451 0.237 6.372 101 H VAL 15 H VAL 15 4.040 5.277 3.284 102 HA VAL 15 HA VAL 15 4.443 7.574 5.066 103 HB VAL 15 HB VAL 15 5.887 5.941 3.216 104 1HG1 VAL 15 1HG1 VAL 15 5.348 7.800 1.581 105 2HG1 VAL 15 2HG1 VAL 15 7.069 7.523 1.850 106 3HG1 VAL 15 3HG1 VAL 15 6.263 8.886 2.627 107 1HG2 VAL 15 1HG2 VAL 15 6.519 8.128 5.172 108 2HG2 VAL 15 2HG2 VAL 15 7.798 7.404 4.196 109 3HG2 VAL 15 3HG2 VAL 15 6.848 6.400 5.293 110 H CYS 16 H CYS 16 2.809 6.870 2.092 111 HA CYS 16 HA CYS 16 2.676 9.711 1.264 112 1HB CYS 16 2HB CYS 16 3.032 8.176 -0.497 113 2HB CYS 16 1HB CYS 16 1.859 7.030 0.149 114 H ARG 17 H ARG 17 0.731 7.340 2.949 115 HA ARG 17 HA ARG 17 -1.798 8.805 2.583 116 1HB ARG 17 2HB ARG 17 -0.823 6.236 3.542 117 2HB ARG 17 1HB ARG 17 -1.990 6.927 4.668 118 1HG ARG 17 2HG ARG 17 -3.636 7.175 2.906 119 2HG ARG 17 1HG ARG 17 -2.462 6.676 1.686 120 1HD ARG 17 2HD ARG 17 -3.361 4.593 2.008 121 2HD ARG 17 1HD ARG 17 -2.352 4.572 3.468 122 HE ARG 17 HE ARG 17 -5.029 5.840 3.678 123 1HH1 ARG 17 1HH1 ARG 17 -4.544 2.691 3.420 124 2HH1 ARG 17 2HH1 ARG 17 -4.775 2.258 5.082 125 1HH2 ARG 17 1HH2 ARG 17 -4.621 5.527 6.229 126 2HH2 ARG 17 2HH2 ARG 17 -4.819 3.865 6.672 127 H LEU 18 H LEU 18 0.933 9.355 4.374 128 HA LEU 18 HA LEU 18 -0.051 9.922 7.001 129 1HB LEU 18 2HB LEU 18 2.334 9.980 5.445 130 2HB LEU 18 1HB LEU 18 2.173 11.545 6.229 131 HG LEU 18 HG LEU 18 2.120 8.830 7.565 132 1HD1 LEU 18 1HD1 LEU 18 3.963 10.899 8.530 133 2HD1 LEU 18 2HD1 LEU 18 4.259 10.442 6.852 134 3HD1 LEU 18 3HD1 LEU 18 4.284 9.214 8.118 135 1HD2 LEU 18 1HD2 LEU 18 2.041 10.322 9.672 136 2HD2 LEU 18 2HD2 LEU 18 0.540 10.135 8.767 137 3HD2 LEU 18 3HD2 LEU 18 1.498 11.605 8.591 138 HA PRO 19 HA PRO 19 -0.262 14.472 5.462 139 1HB PRO 19 2HB PRO 19 -0.431 14.878 2.757 140 2HB PRO 19 1HB PRO 19 1.105 14.857 3.647 141 1HG PRO 19 2HG PRO 19 -0.161 12.718 2.009 142 2HG PRO 19 1HG PRO 19 1.544 13.186 2.134 143 1HD PRO 19 2HD PRO 19 0.502 11.027 3.399 144 2HD PRO 19 1HD PRO 19 1.882 11.944 4.034 145 H GLY 20 H GLY 20 -2.008 11.844 4.028 146 1HA GLY 20 2HA GLY 20 -4.469 11.901 4.638 147 2HA GLY 20 1HA GLY 20 -4.472 13.543 3.993 148 H THR 21 H THR 21 -2.512 11.232 2.347 149 HA THR 21 HA THR 21 -4.004 11.533 -0.090 150 HB THR 21 HB THR 21 -1.834 9.552 0.580 151 HG1 THR 21 1HG THR 21 -0.446 11.134 0.718 152 1HG2 THR 21 1HG2 THR 21 -1.170 10.133 -1.791 153 2HG2 THR 21 2HG2 THR 21 -2.669 11.048 -1.909 154 3HG2 THR 21 3HG2 THR 21 -2.719 9.305 -1.635 155 HA PRO 22 HA PRO 22 -6.501 7.952 0.446 156 1HB PRO 22 2HB PRO 22 -7.197 7.635 -2.181 157 2HB PRO 22 1HB PRO 22 -7.897 8.882 -1.136 158 1HG PRO 22 2HG PRO 22 -5.810 9.126 -3.229 159 2HG PRO 22 1HG PRO 22 -7.059 10.280 -2.740 160 1HD PRO 22 2HD PRO 22 -4.396 10.425 -1.985 161 2HD PRO 22 1HD PRO 22 -5.726 11.205 -1.131 162 H GLU 23 H GLU 23 -5.586 6.013 0.743 163 HA GLU 23 HA GLU 23 -3.201 4.966 0.011 164 1HB GLU 23 2HB GLU 23 -4.197 2.776 0.334 165 2HB GLU 23 1HB GLU 23 -5.004 3.918 1.408 166 1HG GLU 23 2HG GLU 23 -6.106 3.361 -1.340 167 2HG GLU 23 1HG GLU 23 -6.479 2.292 0.012 168 H ALA 24 H ALA 24 -5.925 5.328 -2.195 169 HA ALA 24 HA ALA 24 -5.107 3.569 -4.276 170 1HB ALA 24 1HB ALA 24 -6.586 6.216 -4.215 171 2HB ALA 24 2HB ALA 24 -7.287 4.598 -4.242 172 3HB ALA 24 3HB ALA 24 -6.458 5.222 -5.668 173 H LEU 25 H LEU 25 -4.436 7.090 -3.876 174 HA LEU 25 HA LEU 25 -2.670 7.283 -6.126 175 1HB LEU 25 2HB LEU 25 -3.828 8.918 -4.192 176 2HB LEU 25 1HB LEU 25 -2.103 9.042 -3.855 177 HG LEU 25 HG LEU 25 -2.593 9.140 -6.710 178 1HD1 LEU 25 1HD1 LEU 25 -3.656 11.476 -6.572 179 2HD1 LEU 25 2HD1 LEU 25 -4.124 11.041 -4.927 180 3HD1 LEU 25 3HD1 LEU 25 -4.728 10.103 -6.293 181 1HD2 LEU 25 1HD2 LEU 25 -0.536 9.921 -5.658 182 2HD2 LEU 25 2HD2 LEU 25 -1.437 11.080 -4.682 183 3HD2 LEU 25 3HD2 LEU 25 -1.335 11.291 -6.429 184 H CYS 26 H CYS 26 -2.065 6.681 -2.656 185 HA CYS 26 HA CYS 26 0.812 6.552 -2.898 186 1HB CYS 26 2HB CYS 26 -1.001 5.278 -0.830 187 2HB CYS 26 1HB CYS 26 0.670 5.792 -0.611 188 H ALA 27 H ALA 27 -1.720 4.347 -3.701 189 HA ALA 27 HA ALA 27 0.058 1.988 -3.547 190 1HB ALA 27 1HB ALA 27 -2.079 1.363 -2.896 191 2HB ALA 27 2HB ALA 27 -2.218 1.060 -4.629 192 3HB ALA 27 3HB ALA 27 -2.844 2.559 -3.943 193 H THR 28 H THR 28 -0.631 4.449 -5.635 194 HA THR 28 HA THR 28 -0.322 2.937 -8.148 195 HB THR 28 HB THR 28 -1.171 5.591 -7.196 196 HG1 THR 28 1HG THR 28 -2.228 3.738 -8.451 197 1HG2 THR 28 1HG2 THR 28 0.930 6.204 -8.427 198 2HG2 THR 28 2HG2 THR 28 -0.537 6.860 -9.155 199 3HG2 THR 28 3HG2 THR 28 0.247 5.449 -9.868 200 H TYR 29 H TYR 29 1.523 5.065 -6.007 201 HA TYR 29 HA TYR 29 3.858 5.169 -7.797 202 1HB TYR 29 2HB TYR 29 3.499 7.094 -6.479 203 2HB TYR 29 1HB TYR 29 3.090 6.148 -5.050 204 HD1 TYR 29 1HD TYR 29 5.998 5.837 -7.392 205 HD2 TYR 29 2HD TYR 29 4.665 6.738 -3.409 206 HE1 TYR 29 1HE TYR 29 8.356 5.959 -6.630 207 HE2 TYR 29 2HE TYR 29 7.022 6.860 -2.648 208 HH TYR 29 HH TYR 29 9.249 5.908 -3.405 209 H THR 30 H THR 30 2.916 3.519 -4.779 210 HA THR 30 HA THR 30 5.437 2.189 -4.367 211 HB THR 30 HB THR 30 3.894 0.987 -2.750 212 HG1 THR 30 1HG THR 30 1.888 1.081 -3.246 213 1HG2 THR 30 1HG2 THR 30 4.837 3.634 -2.772 214 2HG2 THR 30 2HG2 THR 30 4.390 2.679 -1.357 215 3HG2 THR 30 3HG2 THR 30 3.191 3.707 -2.143 216 H GLY 31 H GLY 31 2.479 1.495 -6.142 217 1HA GLY 31 2HA GLY 31 2.225 -0.169 -7.836 218 2HA GLY 31 1HA GLY 31 3.730 -0.915 -7.293 219 H CYS 32 H CYS 32 1.618 -0.107 -4.749 220 HA CYS 32 HA CYS 32 1.056 -2.981 -4.271 221 1HB CYS 32 2HB CYS 32 0.492 -0.534 -2.569 222 2HB CYS 32 1HB CYS 32 0.577 -2.208 -2.024 223 H ILE 33 H ILE 33 -1.256 -3.082 -2.977 224 HA ILE 33 HA ILE 33 -3.320 -1.592 -4.524 225 HB ILE 33 HB ILE 33 -4.435 -3.804 -4.969 226 1HG1 ILE 33 2HG1 ILE 33 -2.030 -5.391 -4.634 227 2HG1 ILE 33 1HG1 ILE 33 -2.534 -4.698 -3.093 228 1HG2 ILE 33 1HG2 ILE 33 -2.947 -2.673 -6.638 229 2HG2 ILE 33 2HG2 ILE 33 -2.958 -4.429 -6.799 230 3HG2 ILE 33 3HG2 ILE 33 -1.596 -3.623 -6.020 231 1HD1 ILE 33 1HD1 ILE 33 -4.463 -5.917 -3.021 232 2HD1 ILE 33 2HD1 ILE 33 -3.580 -6.989 -4.107 233 3HD1 ILE 33 3HD1 ILE 33 -4.714 -5.809 -4.763 234 H ILE 34 H ILE 34 -5.356 -1.509 -3.413 235 HA ILE 34 HA ILE 34 -5.211 -2.304 -0.529 236 HB ILE 34 HB ILE 34 -6.870 -0.198 -1.950 237 1HG1 ILE 34 2HG1 ILE 34 -4.981 1.011 -0.276 238 2HG1 ILE 34 1HG1 ILE 34 -4.083 -0.257 -1.109 239 1HG2 ILE 34 1HG2 ILE 34 -7.973 -0.089 0.009 240 2HG2 ILE 34 2HG2 ILE 34 -6.463 0.402 0.778 241 3HG2 ILE 34 3HG2 ILE 34 -6.909 -1.303 0.718 242 1HD1 ILE 34 1HD1 ILE 34 -4.168 1.985 -2.313 243 2HD1 ILE 34 2HD1 ILE 34 -5.890 1.692 -2.555 244 3HD1 ILE 34 3HD1 ILE 34 -4.703 0.597 -3.261 245 H ILE 35 H ILE 35 -6.844 -3.608 0.296 246 HA ILE 35 HA ILE 35 -9.106 -4.294 -1.543 247 HB ILE 35 HB ILE 35 -8.776 -6.535 0.001 248 1HG1 ILE 35 2HG1 ILE 35 -6.299 -7.034 -0.128 249 2HG1 ILE 35 1HG1 ILE 35 -6.032 -5.326 -0.466 250 1HG2 ILE 35 1HG2 ILE 35 -7.389 -5.882 -2.615 251 2HG2 ILE 35 2HG2 ILE 35 -9.052 -6.445 -2.440 252 3HG2 ILE 35 3HG2 ILE 35 -7.712 -7.506 -2.006 253 1HD1 ILE 35 1HD1 ILE 35 -7.781 -5.616 1.813 254 2HD1 ILE 35 2HD1 ILE 35 -6.212 -4.814 1.717 255 3HD1 ILE 35 3HD1 ILE 35 -6.301 -6.540 2.067 256 HA PRO 36 HA PRO 36 -11.848 -3.529 1.751 257 1HB PRO 36 2HB PRO 36 -13.543 -5.678 1.752 258 2HB PRO 36 1HB PRO 36 -13.556 -4.425 0.495 259 1HG PRO 36 2HG PRO 36 -12.356 -7.147 0.439 260 2HG PRO 36 1HG PRO 36 -13.195 -6.256 -0.839 261 1HD PRO 36 2HD PRO 36 -10.484 -6.499 -0.707 262 2HD PRO 36 1HD PRO 36 -11.309 -5.122 -1.468 263 H GLY 37 H GLY 37 -10.213 -6.668 1.937 264 1HA GLY 37 2HA GLY 37 -10.108 -6.340 4.869 265 2HA GLY 37 1HA GLY 37 -10.896 -7.802 4.282 266 H ALA 38 H ALA 38 -9.403 -9.289 4.939 267 HA ALA 38 HA ALA 38 -6.526 -8.937 4.350 268 1HB ALA 38 1HB ALA 38 -7.679 -11.462 5.408 269 2HB ALA 38 2HB ALA 38 -7.917 -10.016 6.389 270 3HB ALA 38 3HB ALA 38 -6.286 -10.542 5.974 271 H THR 39 H THR 39 -8.535 -9.316 2.159 272 HA THR 39 HA THR 39 -8.146 -12.009 1.124 273 HB THR 39 HB THR 39 -10.016 -10.126 0.834 274 HG1 THR 39 1HG THR 39 -10.657 -11.302 -1.037 275 1HG2 THR 39 1HG2 THR 39 -9.862 -8.906 -1.187 276 2HG2 THR 39 2HG2 THR 39 -8.482 -9.853 -1.745 277 3HG2 THR 39 3HG2 THR 39 -8.287 -8.706 -0.418 278 H CYS 40 H CYS 40 -5.987 -9.685 1.477 279 HA CYS 40 HA CYS 40 -4.738 -9.114 -0.966 280 1HB CYS 40 2HB CYS 40 -3.719 -9.706 1.818 281 2HB CYS 40 1HB CYS 40 -2.631 -9.193 0.527 282 HA PRO 41 HA PRO 41 -3.345 -13.040 -2.402 283 1HB PRO 41 2HB PRO 41 -1.287 -12.229 -4.007 284 2HB PRO 41 1HB PRO 41 -2.994 -11.999 -4.439 285 1HG PRO 41 2HG PRO 41 -1.037 -10.045 -3.363 286 2HG PRO 41 1HG PRO 41 -2.340 -9.811 -4.535 287 1HD PRO 41 2HD PRO 41 -2.480 -9.081 -1.886 288 2HD PRO 41 1HD PRO 41 -3.890 -9.409 -2.916 289 H GLY 42 H GLY 42 -0.656 -13.689 -3.022 290 1HA GLY 42 2HA GLY 42 0.542 -13.661 -0.289 291 2HA GLY 42 1HA GLY 42 0.853 -14.896 -1.508 292 H ASP 43 H ASP 43 0.927 -12.379 -3.427 293 HA ASP 43 HA ASP 43 3.864 -12.010 -3.119 294 1HB ASP 43 2HB ASP 43 2.018 -11.108 -5.347 295 2HB ASP 43 1HB ASP 43 3.759 -11.373 -5.435 296 H TYR 44 H TYR 44 0.892 -10.360 -2.567 297 HA TYR 44 HA TYR 44 2.341 -7.744 -2.354 298 1HB TYR 44 2HB TYR 44 -0.605 -8.334 -2.777 299 2HB TYR 44 1HB TYR 44 0.156 -6.744 -2.828 300 HD1 TYR 44 1HD TYR 44 -1.416 -8.275 -5.082 301 HD2 TYR 44 2HD TYR 44 2.754 -7.768 -4.183 302 HE1 TYR 44 1HE TYR 44 -0.858 -8.605 -7.477 303 HE2 TYR 44 2HE TYR 44 3.312 -8.098 -6.576 304 HH TYR 44 HH TYR 44 0.895 -8.129 -9.039 305 H ALA 45 H ALA 45 1.821 -10.095 -0.369 306 HA ALA 45 HA ALA 45 0.219 -8.707 1.710 307 1HB ALA 45 1HB ALA 45 0.721 -11.364 0.914 308 2HB ALA 45 2HB ALA 45 -0.213 -10.843 2.316 309 3HB ALA 45 3HB ALA 45 1.508 -11.189 2.482 310 H ASN 46 H ASN 46 2.879 -7.672 0.825 311 HA ASN 46 HA ASN 46 4.533 -8.137 3.271 312 1HB ASN 46 2HB ASN 46 4.991 -7.272 0.430 313 2HB ASN 46 1HB ASN 46 6.167 -6.815 1.663 314 1HD2 ASN 46 1HD2 ASN 46 6.981 -8.734 3.063 315 2HD2 ASN 46 2HD2 ASN 46 7.180 -10.227 2.281 Start of MODEL 20 1 1H THR 1 1HT THR 1 -7.483 -2.290 2.190 2 2H THR 1 2HT THR 1 -7.162 -0.890 3.098 3 3H THR 1 3HT THR 1 -7.972 -2.202 3.812 4 HA THR 1 HA THR 1 -5.499 -1.920 4.358 5 HB THR 1 HB THR 1 -6.944 -4.383 3.370 6 HG1 THR 1 1HG THR 1 -7.698 -3.373 5.249 7 1HG2 THR 1 1HG2 THR 1 -5.168 -5.638 4.715 8 2HG2 THR 1 2HG2 THR 1 -4.204 -4.164 4.624 9 3HG2 THR 1 3HG2 THR 1 -4.657 -5.014 3.147 10 H THR 2 H THR 2 -3.539 -1.616 3.372 11 HA THR 2 HA THR 2 -3.287 -1.841 0.467 12 HB THR 2 HB THR 2 -2.330 -0.062 2.027 13 HG1 THR 2 1HG THR 2 -0.219 -0.212 0.871 14 1HG2 THR 2 1HG2 THR 2 -0.122 -2.047 2.473 15 2HG2 THR 2 2HG2 THR 2 -1.489 -1.965 3.584 16 3HG2 THR 2 3HG2 THR 2 -0.460 -0.552 3.346 17 H CYS 3 H CYS 3 -1.399 -3.051 -0.493 18 HA CYS 3 HA CYS 3 -0.344 -5.324 1.071 19 1HB CYS 3 2HB CYS 3 -2.457 -5.489 -1.062 20 2HB CYS 3 1HB CYS 3 -1.324 -6.825 -0.858 21 H CYS 4 H CYS 4 1.808 -5.037 0.486 22 HA CYS 4 HA CYS 4 2.402 -4.752 -2.444 23 1HB CYS 4 2HB CYS 4 3.064 -3.154 -0.162 24 2HB CYS 4 1HB CYS 4 4.555 -3.852 -0.795 25 HA PRO 5 HA PRO 5 4.861 -8.368 -2.160 26 1HB PRO 5 2HB PRO 5 6.975 -7.756 -3.786 27 2HB PRO 5 1HB PRO 5 5.346 -8.095 -4.402 28 1HG PRO 5 2HG PRO 5 6.700 -5.477 -3.980 29 2HG PRO 5 1HG PRO 5 5.639 -6.000 -5.297 30 1HD PRO 5 2HD PRO 5 4.805 -4.420 -3.241 31 2HD PRO 5 1HD PRO 5 3.730 -5.525 -4.126 32 H SER 6 H SER 6 6.003 -5.413 -0.909 33 HA SER 6 HA SER 6 7.936 -6.833 0.810 34 1HB SER 6 2HB SER 6 8.908 -4.512 -0.855 35 2HB SER 6 1HB SER 6 9.861 -5.726 -0.005 36 HG SER 6 HG SER 6 9.874 -6.648 -1.902 37 H ILE 7 H ILE 7 8.565 -5.539 2.646 38 HA ILE 7 HA ILE 7 6.611 -3.703 3.626 39 HB ILE 7 HB ILE 7 9.522 -4.072 4.412 40 1HG1 ILE 7 2HG1 ILE 7 7.005 -5.610 5.102 41 2HG1 ILE 7 1HG1 ILE 7 8.502 -6.240 4.415 42 1HG2 ILE 7 1HG2 ILE 7 9.065 -2.897 6.312 43 2HG2 ILE 7 2HG2 ILE 7 7.424 -3.532 6.429 44 3HG2 ILE 7 3HG2 ILE 7 7.777 -2.192 5.337 45 1HD1 ILE 7 1HD1 ILE 7 8.886 -6.812 6.608 46 2HD1 ILE 7 2HD1 ILE 7 7.870 -5.515 7.233 47 3HD1 ILE 7 3HD1 ILE 7 9.502 -5.161 6.668 48 H VAL 8 H VAL 8 9.550 -3.241 1.751 49 HA VAL 8 HA VAL 8 9.908 -0.428 2.203 50 HB VAL 8 HB VAL 8 10.585 -2.256 -0.125 51 1HG1 VAL 8 1HG1 VAL 8 10.634 0.223 -0.637 52 2HG1 VAL 8 2HG1 VAL 8 12.189 -0.591 -0.806 53 3HG1 VAL 8 3HG1 VAL 8 11.858 0.390 0.621 54 1HG2 VAL 8 1HG2 VAL 8 12.543 -2.784 1.008 55 2HG2 VAL 8 2HG2 VAL 8 11.439 -2.593 2.369 56 3HG2 VAL 8 3HG2 VAL 8 12.536 -1.283 1.932 57 H ALA 9 H ALA 9 8.232 -2.210 -0.422 58 HA ALA 9 HA ALA 9 7.338 0.047 -1.904 59 1HB ALA 9 1HB ALA 9 5.847 -2.555 -1.467 60 2HB ALA 9 2HB ALA 9 7.293 -2.445 -2.471 61 3HB ALA 9 3HB ALA 9 5.842 -1.544 -2.912 62 H ARG 10 H ARG 10 5.666 -1.797 0.670 63 HA ARG 10 HA ARG 10 3.364 -0.062 0.775 64 1HB ARG 10 2HB ARG 10 3.068 -2.231 1.598 65 2HB ARG 10 1HB ARG 10 4.639 -2.249 2.391 66 1HG ARG 10 2HG ARG 10 2.942 -0.169 3.500 67 2HG ARG 10 1HG ARG 10 2.168 -1.751 3.605 68 1HD ARG 10 2HD ARG 10 5.035 -1.800 4.282 69 2HD ARG 10 1HD ARG 10 4.042 -0.845 5.396 70 HE ARG 10 HE ARG 10 3.755 -3.740 4.880 71 1HH1 ARG 10 1HH1 ARG 10 3.726 -1.949 7.482 72 2HH1 ARG 10 2HH1 ARG 10 2.100 -2.243 8.000 73 1HH2 ARG 10 1HH2 ARG 10 1.112 -3.641 4.984 74 2HH2 ARG 10 2HH2 ARG 10 0.619 -3.202 6.585 75 H SER 11 H SER 11 6.453 -0.221 2.497 76 HA SER 11 HA SER 11 6.070 1.584 4.595 77 1HB SER 11 2HB SER 11 8.288 0.697 2.836 78 2HB SER 11 1HB SER 11 8.579 2.191 3.723 79 HG SER 11 HG SER 11 7.724 0.899 5.586 80 H ASN 12 H ASN 12 6.699 2.290 1.157 81 HA ASN 12 HA ASN 12 6.811 5.179 1.505 82 1HB ASN 12 2HB ASN 12 6.031 3.759 -1.038 83 2HB ASN 12 1HB ASN 12 7.041 5.189 -0.840 84 1HD2 ASN 12 1HD2 ASN 12 7.321 2.078 -1.774 85 2HD2 ASN 12 2HD2 ASN 12 8.876 1.717 -1.205 86 H PHE 13 H PHE 13 4.347 2.946 0.186 87 HA PHE 13 HA PHE 13 2.257 4.664 -0.388 88 1HB PHE 13 2HB PHE 13 1.749 2.458 -0.804 89 2HB PHE 13 1HB PHE 13 2.606 1.890 0.626 90 HD1 PHE 13 1HD PHE 13 1.508 1.977 2.863 91 HD2 PHE 13 2HD PHE 13 -0.578 2.997 -0.742 92 HE1 PHE 13 1HE PHE 13 -0.656 1.766 4.058 93 HE2 PHE 13 2HE PHE 13 -2.739 2.784 0.446 94 HZ PHE 13 HZ PHE 13 -2.782 2.170 2.848 95 H ASN 14 H ASN 14 2.977 3.286 2.837 96 HA ASN 14 HA ASN 14 0.939 4.736 4.251 97 1HB ASN 14 2HB ASN 14 1.768 3.456 5.955 98 2HB ASN 14 1HB ASN 14 2.822 2.742 4.741 99 1HD2 ASN 14 1HD2 ASN 14 4.907 2.652 5.560 100 2HD2 ASN 14 2HD2 ASN 14 5.661 3.872 6.467 101 H VAL 15 H VAL 15 4.310 5.345 3.492 102 HA VAL 15 HA VAL 15 4.750 7.745 4.932 103 HB VAL 15 HB VAL 15 5.898 6.086 2.858 104 1HG1 VAL 15 1HG1 VAL 15 7.299 7.983 1.844 105 2HG1 VAL 15 2HG1 VAL 15 6.027 9.065 2.410 106 3HG1 VAL 15 3HG1 VAL 15 5.651 7.798 1.243 107 1HG2 VAL 15 1HG2 VAL 15 7.109 8.173 4.683 108 2HG2 VAL 15 2HG2 VAL 15 7.989 6.895 3.846 109 3HG2 VAL 15 3HG2 VAL 15 6.823 6.486 5.104 110 H CYS 16 H CYS 16 2.959 7.066 2.012 111 HA CYS 16 HA CYS 16 2.755 9.886 1.190 112 1HB CYS 16 2HB CYS 16 2.822 8.414 -0.613 113 2HB CYS 16 1HB CYS 16 1.920 7.168 0.243 114 H ARG 17 H ARG 17 1.096 7.723 3.290 115 HA ARG 17 HA ARG 17 -1.519 9.062 3.132 116 1HB ARG 17 2HB ARG 17 -1.258 6.644 3.566 117 2HB ARG 17 1HB ARG 17 -0.309 6.999 5.008 118 1HG ARG 17 2HG ARG 17 -2.403 6.677 5.954 119 2HG ARG 17 1HG ARG 17 -2.451 8.415 5.671 120 1HD ARG 17 2HD ARG 17 -3.792 8.175 3.723 121 2HD ARG 17 1HD ARG 17 -3.453 6.437 3.609 122 HE ARG 17 HE ARG 17 -4.579 6.650 6.100 123 1HH1 ARG 17 1HH1 ARG 17 -5.454 7.667 2.920 124 2HH1 ARG 17 2HH1 ARG 17 -7.154 7.665 3.245 125 1HH2 ARG 17 1HH2 ARG 17 -6.795 6.707 6.556 126 2HH2 ARG 17 2HH2 ARG 17 -7.912 7.128 5.302 127 H LEU 18 H LEU 18 1.463 9.712 4.572 128 HA LEU 18 HA LEU 18 0.887 10.650 7.155 129 1HB LEU 18 2HB LEU 18 2.932 10.696 5.170 130 2HB LEU 18 1HB LEU 18 2.763 12.328 5.796 131 HG LEU 18 HG LEU 18 3.356 9.797 7.326 132 1HD1 LEU 18 1HD1 LEU 18 4.808 12.217 6.488 133 2HD1 LEU 18 2HD1 LEU 18 5.434 10.634 6.951 134 3HD1 LEU 18 3HD1 LEU 18 5.020 11.816 8.192 135 1HD2 LEU 18 1HD2 LEU 18 1.992 10.664 8.940 136 2HD2 LEU 18 2HD2 LEU 18 1.984 12.269 8.208 137 3HD2 LEU 18 3HD2 LEU 18 3.338 11.770 9.223 138 HA PRO 19 HA PRO 19 -0.061 14.938 5.225 139 1HB PRO 19 2HB PRO 19 -0.577 15.035 2.537 140 2HB PRO 19 1HB PRO 19 1.046 15.250 3.224 141 1HG PRO 19 2HG PRO 19 -0.170 12.844 1.964 142 2HG PRO 19 1HG PRO 19 1.477 13.476 1.830 143 1HD PRO 19 2HD PRO 19 0.813 11.373 3.412 144 2HD PRO 19 1HD PRO 19 2.163 12.469 3.772 145 H GLY 20 H GLY 20 -1.642 12.057 3.988 146 1HA GLY 20 2HA GLY 20 -4.003 11.812 4.913 147 2HA GLY 20 1HA GLY 20 -4.277 13.441 4.292 148 H THR 21 H THR 21 -2.249 11.450 2.358 149 HA THR 21 HA THR 21 -3.951 11.589 0.095 150 HB THR 21 HB THR 21 -1.727 9.623 0.600 151 HG1 THR 21 1HG THR 21 -1.673 12.415 0.320 152 1HG2 THR 21 1HG2 THR 21 -2.785 11.092 -1.819 153 2HG2 THR 21 2HG2 THR 21 -2.784 9.353 -1.530 154 3HG2 THR 21 3HG2 THR 21 -1.268 10.201 -1.828 155 HA PRO 22 HA PRO 22 -6.388 8.016 0.859 156 1HB PRO 22 2HB PRO 22 -7.283 7.674 -1.706 157 2HB PRO 22 1HB PRO 22 -7.908 8.928 -0.619 158 1HG PRO 22 2HG PRO 22 -5.959 9.156 -2.849 159 2HG PRO 22 1HG PRO 22 -7.199 10.301 -2.314 160 1HD PRO 22 2HD PRO 22 -4.517 10.535 -1.721 161 2HD PRO 22 1HD PRO 22 -5.811 11.255 -0.758 162 H GLU 23 H GLU 23 -5.494 6.068 1.085 163 HA GLU 23 HA GLU 23 -3.191 4.938 0.271 164 1HB GLU 23 2HB GLU 23 -4.560 2.725 0.169 165 2HB GLU 23 1HB GLU 23 -4.622 3.670 1.656 166 1HG GLU 23 2HG GLU 23 -6.643 4.615 -0.172 167 2HG GLU 23 1HG GLU 23 -6.798 2.871 0.036 168 H ALA 24 H ALA 24 -5.990 5.345 -1.852 169 HA ALA 24 HA ALA 24 -5.236 3.686 -4.019 170 1HB ALA 24 1HB ALA 24 -6.690 6.323 -3.744 171 2HB ALA 24 2HB ALA 24 -7.378 4.721 -4.009 172 3HB ALA 24 3HB ALA 24 -6.513 5.535 -5.313 173 H LEU 25 H LEU 25 -4.398 7.114 -3.368 174 HA LEU 25 HA LEU 25 -2.696 7.438 -5.658 175 1HB LEU 25 2HB LEU 25 -3.733 8.852 -3.403 176 2HB LEU 25 1HB LEU 25 -1.993 9.104 -3.450 177 HG LEU 25 HG LEU 25 -3.287 10.777 -4.785 178 1HD1 LEU 25 1HD1 LEU 25 -1.321 8.922 -6.131 179 2HD1 LEU 25 2HD1 LEU 25 -1.013 10.508 -5.421 180 3HD1 LEU 25 3HD1 LEU 25 -1.917 10.376 -6.929 181 1HD2 LEU 25 1HD2 LEU 25 -3.720 8.930 -7.016 182 2HD2 LEU 25 2HD2 LEU 25 -4.806 10.143 -6.341 183 3HD2 LEU 25 3HD2 LEU 25 -4.710 8.543 -5.608 184 H CYS 26 H CYS 26 -2.070 6.601 -2.244 185 HA CYS 26 HA CYS 26 0.811 6.548 -2.491 186 1HB CYS 26 2HB CYS 26 -0.922 5.050 -0.513 187 2HB CYS 26 1HB CYS 26 0.708 5.663 -0.264 188 H ALA 27 H ALA 27 -1.701 4.192 -3.192 189 HA ALA 27 HA ALA 27 0.322 2.033 -3.399 190 1HB ALA 27 1HB ALA 27 -2.490 2.254 -2.822 191 2HB ALA 27 2HB ALA 27 -1.461 0.833 -2.678 192 3HB ALA 27 3HB ALA 27 -2.271 1.183 -4.204 193 H THR 28 H THR 28 -0.842 4.448 -5.246 194 HA THR 28 HA THR 28 -0.749 2.957 -7.825 195 HB THR 28 HB THR 28 -1.962 5.441 -6.712 196 HG1 THR 28 1HG THR 28 -2.818 3.237 -7.634 197 1HG2 THR 28 1HG2 THR 28 -0.775 6.625 -8.327 198 2HG2 THR 28 2HG2 THR 28 -2.246 6.195 -9.200 199 3HG2 THR 28 3HG2 THR 28 -0.766 5.271 -9.457 200 H TYR 29 H TYR 29 0.926 5.194 -5.781 201 HA TYR 29 HA TYR 29 2.817 6.048 -7.904 202 1HB TYR 29 2HB TYR 29 2.069 7.746 -6.387 203 2HB TYR 29 1HB TYR 29 2.322 6.705 -4.988 204 HD1 TYR 29 1HD TYR 29 4.102 7.424 -3.676 205 HD2 TYR 29 2HD TYR 29 4.405 7.686 -7.950 206 HE1 TYR 29 1HE TYR 29 6.418 8.285 -3.456 207 HE2 TYR 29 2HE TYR 29 6.721 8.549 -7.734 208 HH TYR 29 HH TYR 29 8.574 8.218 -5.208 209 H THR 30 H THR 30 2.548 3.950 -5.122 210 HA THR 30 HA THR 30 5.423 3.201 -5.320 211 HB THR 30 HB THR 30 3.916 3.890 -3.200 212 HG1 THR 30 1HG THR 30 6.231 3.061 -3.518 213 1HG2 THR 30 1HG2 THR 30 3.099 1.992 -2.003 214 2HG2 THR 30 2HG2 THR 30 3.781 0.879 -3.187 215 3HG2 THR 30 3HG2 THR 30 2.414 1.904 -3.626 216 H GLY 31 H GLY 31 2.200 2.041 -6.001 217 1HA GLY 31 2HA GLY 31 2.018 0.168 -7.609 218 2HA GLY 31 1HA GLY 31 3.411 -0.569 -6.822 219 H CYS 32 H CYS 32 2.480 -0.068 -4.102 220 HA CYS 32 HA CYS 32 1.225 -2.405 -3.375 221 1HB CYS 32 2HB CYS 32 0.750 0.385 -2.281 222 2HB CYS 32 1HB CYS 32 0.392 -1.105 -1.414 223 H ILE 33 H ILE 33 -1.037 -2.930 -2.829 224 HA ILE 33 HA ILE 33 -3.061 -1.384 -4.410 225 HB ILE 33 HB ILE 33 -3.997 -3.658 -5.002 226 1HG1 ILE 33 2HG1 ILE 33 -1.333 -4.572 -3.864 227 2HG1 ILE 33 1HG1 ILE 33 -2.916 -4.904 -3.159 228 1HG2 ILE 33 1HG2 ILE 33 -1.231 -3.752 -6.043 229 2HG2 ILE 33 2HG2 ILE 33 -2.037 -2.193 -6.221 230 3HG2 ILE 33 3HG2 ILE 33 -2.761 -3.642 -6.915 231 1HD1 ILE 33 1HD1 ILE 33 -3.226 -6.650 -4.546 232 2HD1 ILE 33 2HD1 ILE 33 -1.569 -6.434 -5.108 233 3HD1 ILE 33 3HD1 ILE 33 -2.896 -5.642 -5.955 234 H ILE 34 H ILE 34 -5.122 -1.303 -3.434 235 HA ILE 34 HA ILE 34 -5.256 -2.365 -0.642 236 HB ILE 34 HB ILE 34 -6.688 -0.090 -2.045 237 1HG1 ILE 34 2HG1 ILE 34 -5.033 0.758 0.101 238 2HG1 ILE 34 1HG1 ILE 34 -4.066 -0.326 -0.892 239 1HG2 ILE 34 1HG2 ILE 34 -8.047 0.011 -0.253 240 2HG2 ILE 34 2HG2 ILE 34 -6.658 0.044 0.835 241 3HG2 ILE 34 3HG2 ILE 34 -7.344 -1.499 0.325 242 1HD1 ILE 34 1HD1 ILE 34 -3.942 2.050 -1.655 243 2HD1 ILE 34 2HD1 ILE 34 -5.677 2.005 -1.968 244 3HD1 ILE 34 3HD1 ILE 34 -4.588 0.968 -2.889 245 H ILE 35 H ILE 35 -7.132 -3.486 0.017 246 HA ILE 35 HA ILE 35 -9.296 -3.925 -1.973 247 HB ILE 35 HB ILE 35 -8.968 -6.260 -2.070 248 1HG1 ILE 35 2HG1 ILE 35 -8.768 -6.542 0.409 249 2HG1 ILE 35 1HG1 ILE 35 -7.610 -7.528 -0.485 250 1HG2 ILE 35 1HG2 ILE 35 -6.110 -5.354 -1.713 251 2HG2 ILE 35 2HG2 ILE 35 -7.078 -4.845 -3.097 252 3HG2 ILE 35 3HG2 ILE 35 -6.744 -6.557 -2.836 253 1HD1 ILE 35 1HD1 ILE 35 -6.244 -6.566 1.144 254 2HD1 ILE 35 2HD1 ILE 35 -7.129 -5.041 1.127 255 3HD1 ILE 35 3HD1 ILE 35 -6.039 -5.442 -0.200 256 HA PRO 36 HA PRO 36 -11.659 -3.714 1.733 257 1HB PRO 36 2HB PRO 36 -13.959 -4.921 0.860 258 2HB PRO 36 1HB PRO 36 -13.491 -3.275 0.387 259 1HG PRO 36 2HG PRO 36 -13.237 -5.822 -1.128 260 2HG PRO 36 1HG PRO 36 -13.658 -4.202 -1.703 261 1HD PRO 36 2HD PRO 36 -11.183 -5.316 -2.004 262 2HD PRO 36 1HD PRO 36 -11.471 -3.565 -1.908 263 H GLY 37 H GLY 37 -9.958 -5.483 2.455 264 1HA GLY 37 2HA GLY 37 -10.954 -7.371 4.098 265 2HA GLY 37 1HA GLY 37 -11.054 -8.211 2.549 266 H ALA 38 H ALA 38 -9.319 -8.678 4.951 267 HA ALA 38 HA ALA 38 -6.580 -8.081 4.039 268 1HB ALA 38 1HB ALA 38 -7.488 -9.895 6.274 269 2HB ALA 38 2HB ALA 38 -7.526 -8.137 6.426 270 3HB ALA 38 3HB ALA 38 -5.991 -8.967 6.166 271 H THR 39 H THR 39 -8.460 -9.922 2.503 272 HA THR 39 HA THR 39 -7.256 -12.584 2.755 273 HB THR 39 HB THR 39 -9.676 -11.662 2.098 274 HG1 THR 39 1HG THR 39 -10.063 -13.712 1.718 275 1HG2 THR 39 1HG2 THR 39 -8.329 -12.144 -0.567 276 2HG2 THR 39 2HG2 THR 39 -8.854 -10.571 0.037 277 3HG2 THR 39 3HG2 THR 39 -10.045 -11.824 -0.314 278 H CYS 40 H CYS 40 -5.909 -9.970 1.702 279 HA CYS 40 HA CYS 40 -5.134 -9.945 -0.921 280 1HB CYS 40 2HB CYS 40 -3.746 -9.551 1.688 281 2HB CYS 40 1HB CYS 40 -2.731 -9.601 0.246 282 HA PRO 41 HA PRO 41 -3.268 -13.763 -1.991 283 1HB PRO 41 2HB PRO 41 -1.241 -12.954 -3.645 284 2HB PRO 41 1HB PRO 41 -2.954 -12.907 -4.114 285 1HG PRO 41 2HG PRO 41 -1.196 -10.703 -3.147 286 2HG PRO 41 1HG PRO 41 -2.424 -10.690 -4.423 287 1HD PRO 41 2HD PRO 41 -2.863 -9.688 -1.937 288 2HD PRO 41 1HD PRO 41 -4.151 -10.389 -2.942 289 H GLY 42 H GLY 42 -0.568 -14.328 -2.517 290 1HA GLY 42 2HA GLY 42 0.654 -13.871 0.173 291 2HA GLY 42 1HA GLY 42 0.925 -15.315 -0.803 292 H ASP 43 H ASP 43 0.916 -12.960 -3.041 293 HA ASP 43 HA ASP 43 3.881 -12.807 -3.055 294 1HB ASP 43 2HB ASP 43 1.918 -13.226 -4.952 295 2HB ASP 43 1HB ASP 43 2.324 -11.529 -5.204 296 H TYR 44 H TYR 44 1.038 -10.746 -2.732 297 HA TYR 44 HA TYR 44 2.839 -8.370 -2.391 298 1HB TYR 44 2HB TYR 44 -0.135 -8.298 -2.912 299 2HB TYR 44 1HB TYR 44 1.075 -7.073 -3.290 300 HD1 TYR 44 1HD TYR 44 -1.083 -8.817 -5.016 301 HD2 TYR 44 2HD TYR 44 3.186 -8.744 -4.558 302 HE1 TYR 44 1HE TYR 44 -0.823 -9.771 -7.289 303 HE2 TYR 44 2HE TYR 44 3.447 -9.697 -6.833 304 HH TYR 44 HH TYR 44 0.600 -10.399 -8.867 305 H ALA 45 H ALA 45 1.887 -10.529 -0.413 306 HA ALA 45 HA ALA 45 0.136 -9.028 1.427 307 1HB ALA 45 1HB ALA 45 1.406 -11.752 1.274 308 2HB ALA 45 2HB ALA 45 -0.305 -11.332 1.335 309 3HB ALA 45 3HB ALA 45 0.687 -11.202 2.788 310 H ASN 46 H ASN 46 2.854 -7.952 0.821 311 HA ASN 46 HA ASN 46 4.123 -8.212 3.527 312 1HB ASN 46 2HB ASN 46 5.060 -8.202 0.775 313 2HB ASN 46 1HB ASN 46 5.873 -6.956 1.722 314 1HD2 ASN 46 1HD2 ASN 46 5.919 -8.228 4.268 315 2HD2 ASN 46 2HD2 ASN 46 6.905 -9.605 4.174
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