NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1812 | 1az6 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H THR 1 2H THR 1 -8.483 -8.602 -3.350 2 2H THR 1 3H THR 1 -8.826 -9.911 -4.315 3 3H THR 1 1H THR 1 -7.834 -10.089 -3.026 4 HA THR 1 HA THR 1 -6.117 -8.851 -4.055 5 HB THR 1 HB THR 1 -5.735 -10.282 -6.119 6 HG1 THR 1 HG1 THR 1 -7.649 -10.873 -6.941 7 1HG2 THR 1 2HG2 THR 1 -5.193 -11.128 -3.777 8 2HG2 THR 1 3HG2 THR 1 -6.776 -11.941 -3.772 9 3HG2 THR 1 1HG2 THR 1 -5.568 -12.371 -4.981 10 H GLN 2 H GLN 2 -6.295 -6.637 -4.661 11 HA GLN 2 HA GLN 2 -7.770 -5.963 -7.182 12 1HB GLN 2 2HB GLN 2 -9.067 -5.303 -5.235 13 2HB GLN 2 1HB GLN 2 -7.675 -4.476 -4.535 14 1HG GLN 2 1HG GLN 2 -9.225 -2.864 -5.576 15 2HG GLN 2 2HG GLN 2 -7.658 -2.844 -6.379 16 1HE2 GLN 2 2HE2 GLN 2 -9.285 -3.311 -9.475 17 2HE2 GLN 2 1HE2 GLN 2 -7.989 -2.499 -8.597 18 H SER 3 H SER 3 -6.744 -4.639 -8.667 19 HA SER 3 HA SER 3 -3.857 -4.518 -8.407 20 1HB SER 3 1HB SER 3 -3.925 -3.921 -10.766 21 2HB SER 3 2HB SER 3 -5.009 -5.274 -10.436 22 HG SER 3 HG SER 3 -5.733 -2.529 -10.711 23 H HIS 4 H HIS 4 -4.240 -2.828 -6.450 24 HA HIS 4 HA HIS 4 -4.221 -0.045 -7.150 25 1HB HIS 4 1HB HIS 4 -2.885 -1.456 -4.814 26 2HB HIS 4 2HB HIS 4 -3.009 0.283 -5.024 27 HD2 HIS 4 HD2 HIS 4 -4.581 0.826 -2.935 28 HE1 HIS 4 HE1 HIS 4 -7.707 -1.872 -3.838 29 HE2 HIS 4 HE2 HIS 4 -6.943 -0.047 -2.237 30 H ALA 5 H ALA 5 -2.988 0.374 -8.961 31 HA ALA 5 HA ALA 5 -0.290 -0.211 -9.497 32 1HB ALA 5 3HB ALA 5 -1.934 2.245 -10.204 33 2HB ALA 5 1HB ALA 5 -0.397 1.782 -10.965 34 3HB ALA 5 2HB ALA 5 -1.818 0.737 -11.138 35 H GLY 6 H GLY 6 0.624 -0.120 -7.309 36 1HA GLY 6 1HA GLY 6 2.605 0.844 -6.382 37 2HA GLY 6 2HA GLY 6 2.083 2.465 -6.822 38 H GLN 7 H GLN 7 0.142 3.349 -5.533 39 HA GLN 7 HA GLN 7 0.732 2.925 -2.732 40 1HB GLN 7 1HB GLN 7 0.325 5.110 -3.672 41 2HB GLN 7 2HB GLN 7 -1.378 4.720 -3.957 42 1HG GLN 7 1HG GLN 7 -1.770 4.462 -1.548 43 2HG GLN 7 2HG GLN 7 -0.033 4.545 -1.208 44 1HE2 GLN 7 2HE2 GLN 7 -1.386 7.815 -0.287 45 2HE2 GLN 7 1HE2 GLN 7 -1.565 6.145 0.284 46 H CYS 8 H CYS 8 0.204 0.653 -2.510 47 HA CYS 8 HA CYS 8 -2.433 -0.393 -2.270 48 1HB CYS 8 1HB CYS 8 -1.530 -2.046 -0.802 49 2HB CYS 8 2HB CYS 8 -0.348 -1.731 -2.062 50 H GLY 9 H GLY 9 -0.590 1.567 0.068 51 1HA GLY 9 1HA GLY 9 -3.102 2.247 1.562 52 2HA GLY 9 2HA GLY 9 -1.768 1.481 2.409 53 H GLY 10 H GLY 10 -0.334 2.825 3.326 54 1HA GLY 10 2HA GLY 10 0.869 4.868 3.757 55 2HA GLY 10 1HA GLY 10 -0.222 5.765 2.702 56 H ILE 11 H ILE 11 0.420 4.902 5.957 57 HA ILE 11 HA ILE 11 -2.147 4.368 6.966 58 HB ILE 11 HB ILE 11 0.263 5.429 8.461 59 1HG1 ILE 11 2HG1 ILE 11 -0.748 2.583 7.919 60 2HG1 ILE 11 1HG1 ILE 11 0.660 3.318 7.159 61 1HG2 ILE 11 2HG2 ILE 11 -1.869 5.656 9.773 62 2HG2 ILE 11 3HG2 ILE 11 -2.206 3.938 9.488 63 3HG2 ILE 11 1HG2 ILE 11 -0.811 4.437 10.461 64 1HD1 ILE 11 2HD1 ILE 11 1.707 3.569 9.442 65 2HD1 ILE 11 3HD1 ILE 11 0.385 2.558 10.077 66 3HD1 ILE 11 1HD1 ILE 11 1.491 1.909 8.860 67 H GLY 12 H GLY 12 -3.899 5.535 7.280 68 1HA GLY 12 2HA GLY 12 -5.175 7.617 7.703 69 2HA GLY 12 1HA GLY 12 -3.821 8.545 7.066 70 H TYR 13 H TYR 13 -4.400 5.666 5.329 71 HA TYR 13 HA TYR 13 -4.812 6.724 2.872 72 1HB TYR 13 1HB TYR 13 -5.749 4.316 2.357 73 2HB TYR 13 2HB TYR 13 -4.095 4.600 2.814 74 HD1 TYR 13 HD2 TYR 13 -7.413 3.633 4.391 75 HD2 TYR 13 HD1 TYR 13 -3.114 3.200 4.433 76 HE1 TYR 13 HE2 TYR 13 -7.567 2.264 6.444 77 HE2 TYR 13 HE1 TYR 13 -3.291 1.767 6.462 78 HH TYR 13 HH TYR 13 -6.434 0.976 7.907 79 H SER 14 H SER 14 -6.370 7.933 1.956 80 HA SER 14 HA SER 14 -9.168 7.885 2.674 81 1HB SER 14 1HB SER 14 -7.877 8.998 0.152 82 2HB SER 14 2HB SER 14 -9.433 9.467 0.854 83 HG SER 14 HG SER 14 -8.059 10.031 2.795 84 H GLY 15 H GLY 15 -8.637 5.205 2.230 85 1HA GLY 15 2HA GLY 15 -10.614 4.248 0.572 86 2HA GLY 15 1HA GLY 15 -9.204 4.344 -0.503 87 HA PRO 16 HA PRO 16 -9.671 0.235 1.756 88 1HB PRO 16 2HB PRO 16 -9.660 -0.925 -1.022 89 2HB PRO 16 1HB PRO 16 -10.715 -1.315 0.361 90 1HG PRO 16 2HG PRO 16 -11.625 0.184 -1.714 91 2HG PRO 16 1HG PRO 16 -12.042 0.642 -0.038 92 1HD PRO 16 2HD PRO 16 -9.789 1.766 -1.750 93 2HD PRO 16 1HD PRO 16 -11.067 2.635 -0.869 94 H THR 17 H THR 17 -7.717 -0.418 2.636 95 HA THR 17 HA THR 17 -5.247 0.059 1.563 96 HB THR 17 HB THR 17 -5.726 -2.009 3.737 97 HG1 THR 17 HG1 THR 17 -5.961 0.806 3.871 98 1HG2 THR 17 3HG2 THR 17 -3.658 0.228 3.409 99 2HG2 THR 17 1HG2 THR 17 -3.839 -0.786 4.852 100 3HG2 THR 17 2HG2 THR 17 -3.310 -1.505 3.335 101 H VAL 18 H VAL 18 -6.971 -2.548 0.368 102 HA VAL 18 HA VAL 18 -4.762 -4.536 0.510 103 HB VAL 18 HB VAL 18 -6.819 -5.162 1.499 104 1HG1 VAL 18 2HG1 VAL 18 -8.454 -3.912 0.058 105 2HG1 VAL 18 3HG1 VAL 18 -8.199 -5.121 -1.215 106 3HG1 VAL 18 1HG1 VAL 18 -8.875 -5.599 0.345 107 1HG2 VAL 18 3HG2 VAL 18 -5.372 -6.902 0.513 108 2HG2 VAL 18 1HG2 VAL 18 -7.079 -7.363 0.475 109 3HG2 VAL 18 2HG2 VAL 18 -6.285 -6.805 -1.008 110 H CYS 19 H CYS 19 -3.341 -4.472 -1.152 111 HA CYS 19 HA CYS 19 -4.072 -3.969 -3.892 112 1HB CYS 19 2HB CYS 19 -1.857 -3.463 -2.758 113 2HB CYS 19 1HB CYS 19 -1.426 -5.148 -3.020 114 H ALA 20 H ALA 20 -2.489 -5.995 -5.275 115 HA ALA 20 HA ALA 20 -4.455 -8.173 -5.499 116 1HB ALA 20 3HB ALA 20 -2.538 -6.910 -7.484 117 2HB ALA 20 1HB ALA 20 -3.625 -8.269 -7.843 118 3HB ALA 20 2HB ALA 20 -4.292 -6.711 -7.400 119 H SER 21 H SER 21 -0.889 -7.761 -5.628 120 HA SER 21 HA SER 21 -0.085 -10.094 -4.410 121 1HB SER 21 1HB SER 21 -1.194 -11.294 -6.389 122 2HB SER 21 2HB SER 21 -0.003 -10.529 -7.440 123 HG SER 21 HG SER 21 0.622 -12.239 -5.229 124 H GLY 22 H GLY 22 2.198 -10.746 -5.944 125 1HA GLY 22 2HA GLY 22 4.400 -9.750 -6.377 126 2HA GLY 22 1HA GLY 22 3.967 -8.367 -5.368 127 H THR 23 H THR 23 4.808 -8.572 -3.290 128 HA THR 23 HA THR 23 4.396 -11.194 -1.880 129 HB THR 23 HB THR 23 6.741 -11.070 -2.237 130 HG1 THR 23 HG1 THR 23 7.311 -11.038 0.064 131 1HG2 THR 23 2HG2 THR 23 7.157 -8.630 -2.356 132 2HG2 THR 23 3HG2 THR 23 6.827 -8.494 -0.619 133 3HG2 THR 23 1HG2 THR 23 8.210 -9.433 -1.184 134 H THR 24 H THR 24 4.768 -7.642 -1.346 135 HA THR 24 HA THR 24 2.832 -7.831 0.924 136 HB THR 24 HB THR 24 4.332 -6.500 2.354 137 HG1 THR 24 HG1 THR 24 5.958 -6.552 0.086 138 1HG2 THR 24 2HG2 THR 24 4.362 -9.020 2.442 139 2HG2 THR 24 3HG2 THR 24 5.790 -8.988 1.394 140 3HG2 THR 24 1HG2 THR 24 5.861 -8.213 2.978 141 H CYS 25 H CYS 25 2.197 -5.857 1.903 142 HA CYS 25 HA CYS 25 1.987 -3.470 0.117 143 1HB CYS 25 1HB CYS 25 -0.130 -4.333 0.917 144 2HB CYS 25 2HB CYS 25 0.425 -4.277 2.595 145 H GLN 26 H GLN 26 4.199 -2.970 0.373 146 HA GLN 26 HA GLN 26 5.438 -3.228 2.972 147 1HB GLN 26 1HB GLN 26 6.322 -4.030 0.692 148 2HB GLN 26 2HB GLN 26 6.740 -2.358 0.357 149 1HG GLN 26 2HG GLN 26 8.655 -3.670 1.230 150 2HG GLN 26 1HG GLN 26 8.280 -2.295 2.273 151 1HE2 GLN 26 1HE2 GLN 26 7.481 -6.085 3.669 152 2HE2 GLN 26 2HE2 GLN 26 7.292 -5.768 1.953 153 H VAL 27 H VAL 27 6.354 -1.700 4.294 154 HA VAL 27 HA VAL 27 5.675 1.099 3.969 155 HB VAL 27 HB VAL 27 5.682 0.101 6.135 156 1HG1 VAL 27 1HG2 VAL 27 8.681 -0.381 5.802 157 2HG1 VAL 27 2HG2 VAL 27 7.808 -0.427 7.341 158 3HG1 VAL 27 3HG2 VAL 27 7.397 -1.579 6.061 159 1HG2 VAL 27 3HG1 VAL 27 6.109 2.502 5.904 160 2HG2 VAL 27 1HG1 VAL 27 6.869 1.846 7.360 161 3HG2 VAL 27 2HG1 VAL 27 7.867 2.218 5.941 162 H LEU 28 H LEU 28 6.748 2.718 3.013 163 HA LEU 28 HA LEU 28 9.709 2.589 2.456 164 1HB LEU 28 1HB LEU 28 7.447 4.396 1.507 165 2HB LEU 28 2HB LEU 28 9.142 4.855 1.364 166 HG LEU 28 HG LEU 28 9.607 2.859 -0.016 167 1HD1 LEU 28 1HD2 LEU 28 6.596 2.386 0.207 168 2HD1 LEU 28 2HD2 LEU 28 7.631 1.676 -1.054 169 3HD1 LEU 28 3HD2 LEU 28 7.902 1.255 0.633 170 1HD2 LEU 28 2HD1 LEU 28 9.030 5.057 -1.026 171 2HD2 LEU 28 3HD1 LEU 28 8.468 3.710 -2.032 172 3HD2 LEU 28 1HD1 LEU 28 7.312 4.606 -1.024 173 H ASN 29 H ASN 29 7.548 5.162 3.464 174 HA ASN 29 HA ASN 29 8.912 5.497 6.107 175 1HB ASN 29 1HB ASN 29 7.434 7.561 4.389 176 2HB ASN 29 2HB ASN 29 7.715 7.784 6.102 177 1HD2 ASN 29 1HD2 ASN 29 10.941 8.087 3.641 178 2HD2 ASN 29 2HD2 ASN 29 9.546 7.177 3.047 179 HA PRO 30 HA PRO 30 5.332 3.752 7.987 180 1HB PRO 30 2HB PRO 30 4.535 5.731 9.876 181 2HB PRO 30 1HB PRO 30 5.718 4.426 10.097 182 1HG PRO 30 1HG PRO 30 6.247 7.290 9.283 183 2HG PRO 30 2HG PRO 30 7.144 6.295 10.455 184 1HD PRO 30 2HD PRO 30 8.124 6.642 8.004 185 2HD PRO 30 1HD PRO 30 8.145 4.998 8.687 186 H TYR 31 H TYR 31 4.719 7.170 7.150 187 HA TYR 31 HA TYR 31 1.875 6.742 6.648 188 1HB TYR 31 1HB TYR 31 3.714 9.130 6.302 189 2HB TYR 31 2HB TYR 31 1.996 9.153 5.961 190 HD1 TYR 31 HD1 TYR 31 4.488 8.781 8.736 191 HD2 TYR 31 HD2 TYR 31 0.321 9.176 7.683 192 HE1 TYR 31 HE1 TYR 31 3.867 8.806 11.154 193 HE2 TYR 31 HE2 TYR 31 -0.288 9.169 10.088 194 HH TYR 31 HH TYR 31 0.462 8.891 12.184 195 H TYR 32 H TYR 32 4.367 5.771 4.712 196 HA TYR 32 HA TYR 32 2.659 5.825 2.273 197 1HB TYR 32 1HB TYR 32 4.503 7.558 2.168 198 2HB TYR 32 2HB TYR 32 5.650 6.239 2.074 199 HD1 TYR 32 HD2 TYR 32 4.820 4.331 0.146 200 HD2 TYR 32 HD1 TYR 32 4.012 8.586 0.119 201 HE1 TYR 32 HE2 TYR 32 4.189 4.218 -2.251 202 HE2 TYR 32 HE1 TYR 32 3.528 8.461 -2.317 203 HH TYR 32 HH TYR 32 3.270 7.094 -4.105 204 H SER 33 H SER 33 2.012 3.775 2.292 205 HA SER 33 HA SER 33 4.026 1.573 2.261 206 1HB SER 33 1HB SER 33 2.581 1.185 4.107 207 2HB SER 33 2HB SER 33 1.143 1.490 3.115 208 HG SER 33 HG SER 33 2.720 -0.816 3.157 209 H GLN 34 H GLN 34 4.240 0.395 0.489 210 HA GLN 34 HA GLN 34 2.649 1.046 -1.941 211 1HB GLN 34 1HB GLN 34 4.891 2.140 -1.607 212 2HB GLN 34 2HB GLN 34 5.645 0.552 -1.706 213 1HG GLN 34 1HG GLN 34 4.852 0.306 -4.038 214 2HG GLN 34 2HG GLN 34 3.903 1.785 -3.900 215 1HE2 GLN 34 2HE2 GLN 34 6.687 3.860 -4.600 216 2HE2 GLN 34 1HE2 GLN 34 4.999 3.879 -4.094 217 H CYS 35 H CYS 35 2.452 -0.510 -3.577 218 HA CYS 35 HA CYS 35 2.074 -3.241 -2.701 219 1HB CYS 35 1HB CYS 35 0.566 -1.915 -4.212 220 2HB CYS 35 2HB CYS 35 1.777 -2.034 -5.475 221 H LEU 36 H LEU 36 4.196 -3.914 -2.150 222 HA LEU 36 HA LEU 36 6.070 -4.694 -4.361 223 1HB LEU 36 1HB LEU 36 6.592 -3.422 -1.671 224 2HB LEU 36 2HB LEU 36 7.732 -4.621 -2.259 225 HG LEU 36 HG LEU 36 8.280 -3.331 -4.207 226 1HD1 LEU 36 1HD2 LEU 36 6.221 -1.341 -3.174 227 2HD1 LEU 36 2HD2 LEU 36 7.456 -0.953 -4.399 228 3HD1 LEU 36 3HD2 LEU 36 6.229 -2.171 -4.749 229 1HD2 LEU 36 2HD1 LEU 36 9.457 -2.933 -2.029 230 2HD2 LEU 36 3HD1 LEU 36 9.427 -1.477 -3.039 231 3HD2 LEU 36 1HD1 LEU 36 8.317 -1.624 -1.667 No H/Q in entry = 231 Start of MODEL 2 1 1H THR 1 2H THR 1 -0.201 -11.555 -7.602 2 2H THR 1 3H THR 1 -1.718 -12.008 -7.175 3 3H THR 1 1H THR 1 -0.943 -12.749 -8.447 4 HA THR 1 HA THR 1 -2.577 -11.250 -9.316 5 HB THR 1 HB THR 1 -1.273 -9.254 -7.423 6 HG1 THR 1 HG1 THR 1 -2.962 -9.748 -6.257 7 1HG2 THR 1 3HG2 THR 1 -3.568 -8.702 -9.374 8 2HG2 THR 1 1HG2 THR 1 -3.000 -7.647 -8.065 9 3HG2 THR 1 2HG2 THR 1 -1.940 -7.955 -9.422 10 H GLN 2 H GLN 2 -2.335 -9.777 -11.150 11 HA GLN 2 HA GLN 2 0.458 -9.505 -12.171 12 1HB GLN 2 2HB GLN 2 -0.983 -10.854 -13.587 13 2HB GLN 2 1HB GLN 2 -2.224 -9.598 -13.607 14 1HG GLN 2 1HG GLN 2 -0.955 -9.607 -15.696 15 2HG GLN 2 2HG GLN 2 -0.722 -8.079 -14.865 16 1HE2 GLN 2 2HE2 GLN 2 2.778 -8.710 -14.332 17 2HE2 GLN 2 1HE2 GLN 2 1.436 -7.774 -13.668 18 H SER 3 H SER 3 -2.642 -7.688 -12.337 19 HA SER 3 HA SER 3 -1.253 -5.160 -12.815 20 1HB SER 3 1HB SER 3 -4.231 -5.715 -12.567 21 2HB SER 3 2HB SER 3 -3.443 -4.301 -13.285 22 HG SER 3 HG SER 3 -3.972 -5.736 -14.952 23 H HIS 4 H HIS 4 -0.207 -5.222 -10.537 24 HA HIS 4 HA HIS 4 -1.696 -4.602 -8.200 25 1HB HIS 4 1HB HIS 4 1.155 -3.930 -9.002 26 2HB HIS 4 2HB HIS 4 0.485 -3.622 -7.406 27 HD2 HIS 4 HD2 HIS 4 1.661 -5.386 -5.845 28 HE1 HIS 4 HE1 HIS 4 1.365 -8.775 -8.344 29 HE2 HIS 4 HE2 HIS 4 2.213 -7.917 -6.087 30 H ALA 5 H ALA 5 -2.477 -2.772 -7.310 31 HA ALA 5 HA ALA 5 -2.776 -0.293 -8.811 32 1HB ALA 5 2HB ALA 5 -4.610 -1.253 -7.447 33 2HB ALA 5 3HB ALA 5 -3.636 -1.015 -5.979 34 3HB ALA 5 1HB ALA 5 -4.185 0.378 -6.917 35 H GLY 6 H GLY 6 -2.405 1.831 -7.757 36 1HA GLY 6 1HA GLY 6 0.317 2.363 -7.435 37 2HA GLY 6 2HA GLY 6 -0.975 3.495 -7.062 38 H GLN 7 H GLN 7 -2.109 2.776 -4.801 39 HA GLN 7 HA GLN 7 0.029 2.544 -2.711 40 1HB GLN 7 1HB GLN 7 -1.106 4.733 -2.843 41 2HB GLN 7 2HB GLN 7 -2.664 3.936 -2.608 42 1HG GLN 7 2HG GLN 7 -2.051 3.286 -0.331 43 2HG GLN 7 1HG GLN 7 -0.377 3.826 -0.586 44 1HE2 GLN 7 2HE2 GLN 7 -1.594 6.648 1.210 45 2HE2 GLN 7 1HE2 GLN 7 -0.726 5.127 1.425 46 H CYS 8 H CYS 8 -0.579 1.433 -0.726 47 HA CYS 8 HA CYS 8 -2.751 -0.633 -1.007 48 1HB CYS 8 1HB CYS 8 -0.570 -1.653 -0.808 49 2HB CYS 8 2HB CYS 8 -0.182 -0.673 0.609 50 H GLY 9 H GLY 9 -1.203 1.460 1.458 51 1HA GLY 9 1HA GLY 9 -3.507 2.631 2.595 52 2HA GLY 9 2HA GLY 9 -3.342 1.070 3.398 53 H GLY 10 H GLY 10 -2.013 4.295 3.166 54 1HA GLY 10 1HA GLY 10 0.419 3.719 4.755 55 2HA GLY 10 2HA GLY 10 -0.085 5.282 4.128 56 H ILE 11 H ILE 11 0.972 4.919 6.730 57 HA ILE 11 HA ILE 11 -0.921 4.890 8.841 58 HB ILE 11 HB ILE 11 1.639 6.502 8.564 59 1HG1 ILE 11 2HG1 ILE 11 1.096 3.763 9.819 60 2HG1 ILE 11 1HG1 ILE 11 1.984 4.057 8.326 61 1HG2 ILE 11 2HG2 ILE 11 0.135 7.379 10.386 62 2HG2 ILE 11 3HG2 ILE 11 0.136 5.761 11.113 63 3HG2 ILE 11 1HG2 ILE 11 1.634 6.706 10.994 64 1HD1 ILE 11 2HD1 ILE 11 3.654 5.425 9.683 65 2HD1 ILE 11 3HD1 ILE 11 2.846 4.796 11.138 66 3HD1 ILE 11 1HD1 ILE 11 3.620 3.682 10.006 67 H GLY 12 H GLY 12 -2.541 6.271 9.436 68 1HA GLY 12 1HA GLY 12 -3.871 8.215 9.459 69 2HA GLY 12 2HA GLY 12 -2.800 9.033 8.332 70 H TYR 13 H TYR 13 -2.770 7.467 6.057 71 HA TYR 13 HA TYR 13 -5.563 7.512 5.104 72 1HB TYR 13 1HB TYR 13 -3.632 8.313 3.749 73 2HB TYR 13 2HB TYR 13 -3.167 6.639 3.491 74 HD1 TYR 13 HD1 TYR 13 -6.588 6.111 3.357 75 HD2 TYR 13 HD2 TYR 13 -3.589 8.421 1.231 76 HE1 TYR 13 HE1 TYR 13 -8.032 6.185 1.380 77 HE2 TYR 13 HE2 TYR 13 -5.139 8.566 -0.711 78 HH TYR 13 HH TYR 13 -8.186 6.781 -0.858 79 H SER 14 H SER 14 -5.915 5.957 6.936 80 HA SER 14 HA SER 14 -5.743 3.059 6.241 81 1HB SER 14 1HB SER 14 -6.843 4.543 8.672 82 2HB SER 14 2HB SER 14 -6.723 2.790 8.516 83 HG SER 14 HG SER 14 -4.360 4.124 7.960 84 H GLY 15 H GLY 15 -7.074 3.755 4.226 85 1HA GLY 15 2HA GLY 15 -9.932 3.178 4.561 86 2HA GLY 15 1HA GLY 15 -9.581 4.890 4.272 87 HA PRO 16 HA PRO 16 -10.672 2.842 0.230 88 1HB PRO 16 2HB PRO 16 -11.223 5.797 -0.198 89 2HB PRO 16 1HB PRO 16 -12.080 4.397 -0.901 90 1HG PRO 16 2HG PRO 16 -13.115 5.573 1.281 91 2HG PRO 16 1HG PRO 16 -12.939 3.791 1.296 92 1HD PRO 16 1HD PRO 16 -11.086 5.854 2.533 93 2HD PRO 16 2HD PRO 16 -11.750 4.361 3.255 94 H THR 17 H THR 17 -8.205 2.500 0.228 95 HA THR 17 HA THR 17 -7.525 3.165 -2.535 96 HB THR 17 HB THR 17 -6.531 5.065 -1.329 97 HG1 THR 17 HG1 THR 17 -4.503 4.846 -2.291 98 1HG2 THR 17 2HG2 THR 17 -5.882 3.828 0.798 99 2HG2 THR 17 3HG2 THR 17 -4.539 3.109 -0.108 100 3HG2 THR 17 1HG2 THR 17 -4.625 4.864 0.106 101 H VAL 18 H VAL 18 -8.389 0.860 -1.588 102 HA VAL 18 HA VAL 18 -6.320 -0.869 -0.556 103 HB VAL 18 HB VAL 18 -8.550 -0.950 0.298 104 1HG1 VAL 18 2HG1 VAL 18 -9.881 -0.544 -1.795 105 2HG1 VAL 18 3HG1 VAL 18 -9.514 -2.201 -2.311 106 3HG1 VAL 18 1HG1 VAL 18 -10.448 -1.917 -0.841 107 1HG2 VAL 18 3HG2 VAL 18 -7.087 -2.943 0.464 108 2HG2 VAL 18 1HG2 VAL 18 -8.803 -3.377 0.414 109 3HG2 VAL 18 2HG2 VAL 18 -7.798 -3.589 -1.030 110 H CYS 19 H CYS 19 -4.848 -1.902 -1.690 111 HA CYS 19 HA CYS 19 -5.154 -2.625 -4.513 112 1HB CYS 19 2HB CYS 19 -3.042 -1.746 -3.487 113 2HB CYS 19 1HB CYS 19 -2.911 -3.246 -2.563 114 H ALA 20 H ALA 20 -4.774 -4.764 -5.344 115 HA ALA 20 HA ALA 20 -5.848 -7.068 -3.876 116 1HB ALA 20 2HB ALA 20 -6.297 -6.815 -6.270 117 2HB ALA 20 3HB ALA 20 -4.559 -6.805 -6.620 118 3HB ALA 20 1HB ALA 20 -5.331 -8.273 -5.989 119 H SER 21 H SER 21 -4.651 -9.012 -3.488 120 HA SER 21 HA SER 21 -2.241 -8.778 -2.060 121 1HB SER 21 1HB SER 21 -3.880 -10.561 -1.683 122 2HB SER 21 2HB SER 21 -3.548 -11.235 -3.287 123 HG SER 21 HG SER 21 -1.665 -11.080 -1.143 124 H GLY 22 H GLY 22 -0.100 -8.655 -2.601 125 1HA GLY 22 2HA GLY 22 0.982 -10.202 -4.950 126 2HA GLY 22 1HA GLY 22 1.720 -8.759 -4.285 127 H THR 23 H THR 23 2.592 -8.885 -2.098 128 HA THR 23 HA THR 23 2.462 -11.399 -0.573 129 HB THR 23 HB THR 23 4.441 -11.851 -1.941 130 HG1 THR 23 HG1 THR 23 5.534 -11.508 0.565 131 1HG2 THR 23 1HG2 THR 23 5.775 -9.479 -0.540 132 2HG2 THR 23 2HG2 THR 23 6.615 -10.773 -1.401 133 3HG2 THR 23 3HG2 THR 23 5.516 -9.720 -2.281 134 H THR 24 H THR 24 3.783 -8.121 -0.663 135 HA THR 24 HA THR 24 3.093 -7.750 2.224 136 HB THR 24 HB THR 24 5.192 -6.462 2.496 137 HG1 THR 24 HG1 THR 24 5.480 -7.138 -0.158 138 1HG2 THR 24 2HG2 THR 24 4.958 -8.788 3.313 139 2HG2 THR 24 3HG2 THR 24 5.721 -9.369 1.817 140 3HG2 THR 24 1HG2 THR 24 6.620 -8.314 2.922 141 H CYS 25 H CYS 25 1.730 -6.188 2.496 142 HA CYS 25 HA CYS 25 1.492 -3.745 0.911 143 1HB CYS 25 1HB CYS 25 -0.327 -4.768 2.305 144 2HB CYS 25 2HB CYS 25 0.609 -4.391 3.752 145 H GLN 26 H GLN 26 3.637 -2.892 0.754 146 HA GLN 26 HA GLN 26 5.191 -2.585 3.288 147 1HB GLN 26 1HB GLN 26 6.007 -4.361 2.000 148 2HB GLN 26 2HB GLN 26 5.962 -3.449 0.514 149 1HG GLN 26 2HG GLN 26 8.260 -3.686 1.213 150 2HG GLN 26 1HG GLN 26 7.818 -1.991 1.325 151 1HE2 GLN 26 1HE2 GLN 26 7.959 -3.614 5.044 152 2HE2 GLN 26 2HE2 GLN 26 6.771 -4.255 3.901 153 H VAL 27 H VAL 27 6.559 -1.007 3.716 154 HA VAL 27 HA VAL 27 5.684 1.624 3.032 155 HB VAL 27 HB VAL 27 6.171 0.924 5.277 156 1HG1 VAL 27 1HG2 VAL 27 9.095 0.673 4.451 157 2HG1 VAL 27 2HG2 VAL 27 8.532 0.805 6.116 158 3HG1 VAL 27 3HG2 VAL 27 8.027 -0.570 5.135 159 1HG2 VAL 27 2HG1 VAL 27 6.243 3.246 4.754 160 2HG2 VAL 27 3HG1 VAL 27 7.416 2.900 6.027 161 3HG2 VAL 27 1HG1 VAL 27 7.990 3.170 4.370 162 H LEU 28 H LEU 28 6.388 3.043 1.555 163 HA LEU 28 HA LEU 28 9.211 2.988 0.495 164 1HB LEU 28 1HB LEU 28 6.671 4.452 -0.273 165 2HB LEU 28 2HB LEU 28 8.243 5.099 -0.728 166 HG LEU 28 HG LEU 28 8.828 3.202 -2.042 167 1HD1 LEU 28 1HD2 LEU 28 6.378 1.847 -0.880 168 2HD1 LEU 28 2HD2 LEU 28 7.175 1.283 -2.364 169 3HD1 LEU 28 3HD2 LEU 28 8.058 1.298 -0.838 170 1HD2 LEU 28 2HD1 LEU 28 7.366 4.869 -3.114 171 2HD2 LEU 28 3HD1 LEU 28 7.041 3.251 -3.751 172 3HD2 LEU 28 1HD1 LEU 28 5.926 3.985 -2.577 173 H ASN 29 H ASN 29 6.997 5.014 2.344 174 HA ASN 29 HA ASN 29 9.097 5.789 4.218 175 1HB ASN 29 1HB ASN 29 8.615 8.215 4.116 176 2HB ASN 29 2HB ASN 29 9.135 7.658 2.540 177 1HD2 ASN 29 1HD2 ASN 29 6.025 8.595 1.078 178 2HD2 ASN 29 2HD2 ASN 29 7.700 8.095 0.796 179 HA PRO 30 HA PRO 30 6.128 4.694 7.153 180 1HB PRO 30 2HB PRO 30 5.726 6.981 8.838 181 2HB PRO 30 1HB PRO 30 6.879 5.644 9.027 182 1HG PRO 30 2HG PRO 30 7.312 8.323 7.709 183 2HG PRO 30 1HG PRO 30 8.429 7.428 8.772 184 1HD PRO 30 2HD PRO 30 8.837 7.403 6.137 185 2HD PRO 30 1HD PRO 30 8.941 5.856 7.007 186 H TYR 31 H TYR 31 5.098 7.915 5.915 187 HA TYR 31 HA TYR 31 2.250 7.249 6.367 188 1HB TYR 31 1HB TYR 31 3.560 9.730 5.218 189 2HB TYR 31 2HB TYR 31 1.853 9.535 5.586 190 HD1 TYR 31 HD2 TYR 31 1.053 9.286 7.946 191 HD2 TYR 31 HD1 TYR 31 5.219 9.978 7.052 192 HE1 TYR 31 HE2 TYR 31 1.491 9.782 10.350 193 HE2 TYR 31 HE1 TYR 31 5.649 10.448 9.458 194 HH TYR 31 HH TYR 31 4.719 10.774 11.486 195 H TYR 32 H TYR 32 4.180 6.116 4.079 196 HA TYR 32 HA TYR 32 1.989 5.877 2.100 197 1HB TYR 32 1HB TYR 32 3.407 7.794 1.483 198 2HB TYR 32 2HB TYR 32 4.790 6.707 1.343 199 HD1 TYR 32 HD1 TYR 32 1.940 4.902 0.070 200 HD2 TYR 32 HD2 TYR 32 4.453 8.282 -0.904 201 HE1 TYR 32 HE1 TYR 32 1.502 4.531 -2.315 202 HE2 TYR 32 HE2 TYR 32 3.888 7.951 -3.319 203 HH TYR 32 HH TYR 32 2.468 4.916 -4.470 204 H SER 33 H SER 33 1.705 3.869 2.885 205 HA SER 33 HA SER 33 3.630 1.703 2.308 206 1HB SER 33 1HB SER 33 2.225 1.599 4.339 207 2HB SER 33 2HB SER 33 0.783 1.464 3.319 208 HG SER 33 HG SER 33 1.606 -0.487 2.485 209 H GLN 34 H GLN 34 3.837 0.977 0.366 210 HA GLN 34 HA GLN 34 1.866 1.368 -1.810 211 1HB GLN 34 1HB GLN 34 4.313 2.189 -1.659 212 2HB GLN 34 2HB GLN 34 4.784 0.518 -1.977 213 1HG GLN 34 1HG GLN 34 3.033 2.311 -3.738 214 2HG GLN 34 2HG GLN 34 4.783 2.226 -3.873 215 1HE2 GLN 34 2HE2 GLN 34 3.117 -0.180 -6.296 216 2HE2 GLN 34 1HE2 GLN 34 2.395 1.337 -5.730 217 H CYS 35 H CYS 35 2.088 -0.618 -3.526 218 HA CYS 35 HA CYS 35 1.185 -3.015 -1.993 219 1HB CYS 35 1HB CYS 35 -0.369 -1.808 -3.476 220 2HB CYS 35 2HB CYS 35 0.651 -2.189 -4.867 221 H LEU 36 H LEU 36 2.998 -4.348 -1.630 222 HA LEU 36 HA LEU 36 4.302 -5.508 -4.063 223 1HB LEU 36 1HB LEU 36 5.600 -4.891 -1.354 224 2HB LEU 36 2HB LEU 36 6.310 -5.795 -2.670 225 HG LEU 36 HG LEU 36 5.714 -3.511 -4.029 226 1HD1 LEU 36 2HD1 LEU 36 4.875 -2.347 -1.905 227 2HD1 LEU 36 3HD1 LEU 36 6.540 -2.455 -1.291 228 3HD1 LEU 36 1HD1 LEU 36 6.205 -1.531 -2.744 229 1HD2 LEU 36 1HD2 LEU 36 8.191 -4.042 -2.334 230 2HD2 LEU 36 2HD2 LEU 36 7.904 -4.584 -4.002 231 3HD2 LEU 36 3HD2 LEU 36 8.109 -2.859 -3.656 No H/Q in entry = 231 Start of MODEL 3 1 1H THR 1 1H THR 1 -1.270 -13.631 -9.088 2 2H THR 1 2H THR 1 -2.273 -13.740 -7.790 3 3H THR 1 3H THR 1 -2.898 -13.959 -9.294 4 HA THR 1 HA THR 1 -2.776 -11.660 -9.734 5 HB THR 1 HB THR 1 -3.713 -10.642 -7.479 6 HG1 THR 1 HG1 THR 1 -3.470 -11.985 -5.861 7 1HG2 THR 1 3HG2 THR 1 -5.101 -13.074 -8.710 8 2HG2 THR 1 1HG2 THR 1 -5.833 -11.863 -7.654 9 3HG2 THR 1 2HG2 THR 1 -5.251 -11.387 -9.252 10 H GLN 2 H GLN 2 -2.156 -9.365 -8.874 11 HA GLN 2 HA GLN 2 0.529 -9.192 -7.693 12 1HB GLN 2 1HB GLN 2 -0.090 -8.673 -10.651 13 2HB GLN 2 2HB GLN 2 1.360 -8.087 -9.859 14 1HG GLN 2 1HG GLN 2 0.742 -11.057 -10.170 15 2HG GLN 2 2HG GLN 2 1.733 -10.089 -11.239 16 1HE2 GLN 2 2HE2 GLN 2 3.323 -11.063 -7.626 17 2HE2 GLN 2 1HE2 GLN 2 1.580 -11.178 -7.768 18 H SER 3 H SER 3 1.306 -6.818 -8.013 19 HA SER 3 HA SER 3 -0.233 -4.893 -6.809 20 1HB SER 3 1HB SER 3 2.072 -4.474 -7.101 21 2HB SER 3 2HB SER 3 1.966 -4.594 -8.867 22 HG SER 3 HG SER 3 0.724 -2.689 -8.881 23 H HIS 4 H HIS 4 -2.405 -4.821 -7.453 24 HA HIS 4 HA HIS 4 -3.227 -3.692 -10.033 25 1HB HIS 4 1HB HIS 4 -4.658 -5.192 -8.716 26 2HB HIS 4 2HB HIS 4 -4.742 -4.011 -7.410 27 HD2 HIS 4 HD2 HIS 4 -6.773 -5.031 -10.384 28 HE1 HIS 4 HE1 HIS 4 -7.665 -0.927 -9.788 29 HE2 HIS 4 HE2 HIS 4 -8.393 -3.038 -11.009 30 H ALA 5 H ALA 5 -3.973 -2.167 -6.881 31 HA ALA 5 HA ALA 5 -3.422 0.523 -7.859 32 1HB ALA 5 2HB ALA 5 -5.261 0.018 -6.271 33 2HB ALA 5 3HB ALA 5 -4.059 -0.435 -5.041 34 3HB ALA 5 1HB ALA 5 -4.123 1.222 -5.638 35 H GLY 6 H GLY 6 -1.355 1.311 -8.012 36 1HA GLY 6 1HA GLY 6 1.039 0.357 -7.090 37 2HA GLY 6 2HA GLY 6 0.726 2.083 -7.274 38 H GLN 7 H GLN 7 -1.133 2.391 -5.113 39 HA GLN 7 HA GLN 7 0.648 2.317 -2.751 40 1HB GLN 7 1HB GLN 7 -0.476 4.398 -3.256 41 2HB GLN 7 2HB GLN 7 -2.050 3.591 -3.200 42 1HG GLN 7 2HG GLN 7 -1.744 3.089 -0.798 43 2HG GLN 7 1HG GLN 7 -0.100 3.755 -0.849 44 1HE2 GLN 7 2HE2 GLN 7 -1.740 6.592 0.515 45 2HE2 GLN 7 1HE2 GLN 7 -0.698 5.218 0.909 46 H CYS 8 H CYS 8 0.293 1.009 -0.957 47 HA CYS 8 HA CYS 8 -1.789 -1.128 -1.090 48 1HB CYS 8 2HB CYS 8 0.426 -1.884 -0.519 49 2HB CYS 8 1HB CYS 8 0.577 -0.671 0.752 50 H GLY 9 H GLY 9 -0.706 1.418 1.166 51 1HA GLY 9 1HA GLY 9 -3.088 2.541 2.037 52 2HA GLY 9 2HA GLY 9 -3.023 1.033 2.947 53 H GLY 10 H GLY 10 -1.772 4.259 2.768 54 1HA GLY 10 1HA GLY 10 0.517 3.824 4.592 55 2HA GLY 10 2HA GLY 10 0.012 5.350 3.877 56 H ILE 11 H ILE 11 0.753 4.661 6.684 57 HA ILE 11 HA ILE 11 -1.285 4.406 8.539 58 HB ILE 11 HB ILE 11 1.249 6.063 8.715 59 1HG1 ILE 11 2HG1 ILE 11 0.610 3.188 9.553 60 2HG1 ILE 11 1HG1 ILE 11 1.580 3.650 8.161 61 1HG2 ILE 11 2HG2 ILE 11 -0.365 6.697 10.539 62 2HG2 ILE 11 3HG2 ILE 11 -0.423 4.992 11.027 63 3HG2 ILE 11 1HG2 ILE 11 1.086 5.918 11.137 64 1HD1 ILE 11 2HD1 ILE 11 3.181 4.818 9.774 65 2HD1 ILE 11 3HD1 ILE 11 2.302 3.987 11.081 66 3HD1 ILE 11 1HD1 ILE 11 3.129 3.047 9.832 67 H GLY 12 H GLY 12 -3.226 5.436 8.496 68 1HA GLY 12 2HA GLY 12 -4.480 7.468 9.146 69 2HA GLY 12 1HA GLY 12 -3.366 8.447 8.214 70 H TYR 13 H TYR 13 -3.215 6.928 5.796 71 HA TYR 13 HA TYR 13 -5.871 7.436 4.592 72 1HB TYR 13 1HB TYR 13 -3.728 8.137 3.517 73 2HB TYR 13 2HB TYR 13 -3.362 6.442 3.222 74 HD1 TYR 13 HD1 TYR 13 -6.818 6.382 2.631 75 HD2 TYR 13 HD2 TYR 13 -3.254 8.261 1.022 76 HE1 TYR 13 HE1 TYR 13 -7.909 6.601 0.441 77 HE2 TYR 13 HE2 TYR 13 -4.428 8.537 -1.157 78 HH TYR 13 HH TYR 13 -7.529 7.060 -1.841 79 H SER 14 H SER 14 -6.349 5.664 6.397 80 HA SER 14 HA SER 14 -6.252 2.861 5.533 81 1HB SER 14 1HB SER 14 -7.814 4.255 7.750 82 2HB SER 14 2HB SER 14 -7.615 2.498 7.563 83 HG SER 14 HG SER 14 -6.091 3.463 9.054 84 H GLY 15 H GLY 15 -7.281 3.782 3.331 85 1HA GLY 15 2HA GLY 15 -10.194 3.203 3.287 86 2HA GLY 15 1HA GLY 15 -9.745 4.907 3.152 87 HA PRO 16 HA PRO 16 -10.485 3.368 -1.140 88 1HB PRO 16 2HB PRO 16 -10.505 6.390 -1.438 89 2HB PRO 16 1HB PRO 16 -11.508 5.179 -2.283 90 1HG PRO 16 2HG PRO 16 -12.528 6.474 -0.154 91 2HG PRO 16 1HG PRO 16 -12.700 4.693 -0.225 92 1HD PRO 16 1HD PRO 16 -10.632 6.305 1.307 93 2HD PRO 16 2HD PRO 16 -11.654 4.950 1.867 94 H THR 17 H THR 17 -8.156 2.621 -0.883 95 HA THR 17 HA THR 17 -6.769 3.387 -3.322 96 HB THR 17 HB THR 17 -5.916 5.113 -1.756 97 HG1 THR 17 HG1 THR 17 -3.825 4.836 -2.370 98 1HG2 THR 17 2HG2 THR 17 -5.887 3.646 0.335 99 2HG2 THR 17 3HG2 THR 17 -4.419 2.888 -0.303 100 3HG2 THR 17 1HG2 THR 17 -4.432 4.616 0.058 101 H VAL 18 H VAL 18 -8.029 1.105 -2.716 102 HA VAL 18 HA VAL 18 -6.337 -0.768 -1.281 103 HB VAL 18 HB VAL 18 -8.692 -0.599 -0.842 104 1HG1 VAL 18 2HG1 VAL 18 -9.546 -0.199 -3.177 105 2HG1 VAL 18 3HG1 VAL 18 -9.242 -1.907 -3.542 106 3HG1 VAL 18 1HG1 VAL 18 -10.419 -1.464 -2.305 107 1HG2 VAL 18 3HG2 VAL 18 -7.453 -2.679 -0.327 108 2HG2 VAL 18 1HG2 VAL 18 -9.159 -2.993 -0.683 109 3HG2 VAL 18 2HG2 VAL 18 -7.922 -3.349 -1.902 110 H CYS 19 H CYS 19 -4.786 -1.949 -2.130 111 HA CYS 19 HA CYS 19 -4.694 -2.731 -4.954 112 1HB CYS 19 2HB CYS 19 -2.728 -1.932 -3.571 113 2HB CYS 19 1HB CYS 19 -2.798 -3.467 -2.703 114 H ALA 20 H ALA 20 -4.229 -4.976 -5.621 115 HA ALA 20 HA ALA 20 -6.134 -6.898 -4.462 116 1HB ALA 20 2HB ALA 20 -6.049 -6.582 -6.894 117 2HB ALA 20 3HB ALA 20 -4.341 -7.094 -6.913 118 3HB ALA 20 1HB ALA 20 -5.612 -8.241 -6.446 119 H SER 21 H SER 21 -5.625 -8.870 -3.558 120 HA SER 21 HA SER 21 -3.154 -9.291 -2.185 121 1HB SER 21 1HB SER 21 -5.259 -10.241 -1.428 122 2HB SER 21 2HB SER 21 -5.343 -11.297 -2.856 123 HG SER 21 HG SER 21 -4.366 -12.263 -0.880 124 H GLY 22 H GLY 22 -1.939 -11.452 -2.382 125 1HA GLY 22 1HA GLY 22 -0.283 -12.665 -3.514 126 2HA GLY 22 2HA GLY 22 -0.972 -12.233 -5.071 127 H THR 23 H THR 23 -0.067 -9.945 -2.563 128 HA THR 23 HA THR 23 2.543 -9.149 -3.593 129 HB THR 23 HB THR 23 0.333 -7.041 -3.449 130 HG1 THR 23 HG1 THR 23 0.346 -7.016 -5.653 131 1HG2 THR 23 3HG2 THR 23 3.176 -7.025 -4.589 132 2HG2 THR 23 1HG2 THR 23 1.980 -5.761 -4.868 133 3HG2 THR 23 2HG2 THR 23 2.562 -6.063 -3.233 134 H THR 24 H THR 24 3.612 -7.602 -1.956 135 HA THR 24 HA THR 24 2.389 -7.868 0.730 136 HB THR 24 HB THR 24 5.124 -6.742 0.721 137 HG1 THR 24 HG1 THR 24 5.480 -8.003 -1.005 138 1HG2 THR 24 3HG2 THR 24 3.896 -9.197 1.956 139 2HG2 THR 24 1HG2 THR 24 5.481 -8.488 2.338 140 3HG2 THR 24 2HG2 THR 24 4.003 -7.594 2.724 141 H CYS 25 H CYS 25 3.884 -5.641 1.858 142 HA CYS 25 HA CYS 25 2.432 -3.257 0.909 143 1HB CYS 25 1HB CYS 25 0.938 -4.712 2.436 144 2HB CYS 25 2HB CYS 25 2.021 -4.265 3.749 145 H GLN 26 H GLN 26 4.359 -2.308 0.528 146 HA GLN 26 HA GLN 26 6.601 -2.453 2.441 147 1HB GLN 26 1HB GLN 26 7.126 -3.448 0.458 148 2HB GLN 26 2HB GLN 26 6.222 -2.302 -0.522 149 1HG GLN 26 2HG GLN 26 8.707 -2.227 -0.806 150 2HG GLN 26 1HG GLN 26 7.882 -0.693 -0.545 151 1HE2 GLN 26 1HE2 GLN 26 10.233 -1.995 2.541 152 2HE2 GLN 26 2HE2 GLN 26 9.253 -3.223 1.713 153 H VAL 27 H VAL 27 7.231 -0.848 3.575 154 HA VAL 27 HA VAL 27 6.096 1.833 3.408 155 HB VAL 27 HB VAL 27 6.007 0.670 5.446 156 1HG1 VAL 27 1HG2 VAL 27 9.035 0.352 5.387 157 2HG1 VAL 27 2HG2 VAL 27 8.040 0.160 6.831 158 3HG1 VAL 27 3HG2 VAL 27 7.792 -0.907 5.456 159 1HG2 VAL 27 2HG1 VAL 27 6.329 3.107 5.511 160 2HG2 VAL 27 3HG1 VAL 27 6.863 2.292 6.987 161 3HG2 VAL 27 1HG1 VAL 27 8.066 2.869 5.826 162 H LEU 28 H LEU 28 7.153 2.693 1.479 163 HA LEU 28 HA LEU 28 9.939 3.406 1.336 164 1HB LEU 28 1HB LEU 28 7.440 4.876 0.361 165 2HB LEU 28 2HB LEU 28 9.083 5.451 0.096 166 HG LEU 28 HG LEU 28 9.648 3.377 -1.156 167 1HD1 LEU 28 3HD1 LEU 28 6.687 2.800 -0.748 168 2HD1 LEU 28 1HD1 LEU 28 7.647 2.062 -2.049 169 3HD1 LEU 28 2HD1 LEU 28 8.064 1.744 -0.368 170 1HD2 LEU 28 3HD2 LEU 28 7.284 5.015 -2.177 171 2HD2 LEU 28 1HD2 LEU 28 8.998 5.461 -2.298 172 3HD2 LEU 28 2HD2 LEU 28 8.390 4.056 -3.184 173 H ASN 29 H ASN 29 7.214 5.125 2.795 174 HA ASN 29 HA ASN 29 8.889 6.020 5.034 175 1HB ASN 29 1HB ASN 29 8.028 8.357 4.972 176 2HB ASN 29 2HB ASN 29 8.972 7.966 3.547 177 1HD2 ASN 29 1HD2 ASN 29 5.209 9.191 3.022 178 2HD2 ASN 29 2HD2 ASN 29 5.994 9.314 4.598 179 HA PRO 30 HA PRO 30 5.709 4.401 7.490 180 1HB PRO 30 2HB PRO 30 5.106 6.470 9.357 181 2HB PRO 30 1HB PRO 30 6.325 5.186 9.497 182 1HG PRO 30 1HG PRO 30 6.686 8.020 8.558 183 2HG PRO 30 2HG PRO 30 7.791 7.029 9.543 184 1HD PRO 30 2HD PRO 30 8.273 7.436 6.933 185 2HD PRO 30 1HD PRO 30 8.559 5.825 7.630 186 H TYR 31 H TYR 31 4.764 7.775 6.721 187 HA TYR 31 HA TYR 31 1.929 7.093 6.648 188 1HB TYR 31 2HB TYR 31 3.289 9.650 5.763 189 2HB TYR 31 1HB TYR 31 1.583 9.411 6.109 190 HD1 TYR 31 HD1 TYR 31 0.811 8.922 8.458 191 HD2 TYR 31 HD2 TYR 31 4.891 10.004 7.595 192 HE1 TYR 31 HE1 TYR 31 1.250 9.150 10.887 193 HE2 TYR 31 HE2 TYR 31 5.312 10.301 10.041 194 HH TYR 31 HH TYR 31 2.734 9.792 12.444 195 H TYR 32 H TYR 32 4.041 6.050 4.448 196 HA TYR 32 HA TYR 32 1.956 5.898 2.386 197 1HB TYR 32 1HB TYR 32 3.300 7.992 1.966 198 2HB TYR 32 2HB TYR 32 4.687 6.937 1.671 199 HD1 TYR 32 HD2 TYR 32 1.830 5.246 0.259 200 HD2 TYR 32 HD1 TYR 32 4.431 8.651 -0.382 201 HE1 TYR 32 HE2 TYR 32 1.879 4.770 -2.170 202 HE2 TYR 32 HE1 TYR 32 4.365 8.192 -2.836 203 HH TYR 32 HH TYR 32 4.392 6.322 -4.176 204 H SER 33 H SER 33 1.871 3.794 3.058 205 HA SER 33 HA SER 33 4.032 1.904 2.381 206 1HB SER 33 1HB SER 33 2.715 1.628 4.441 207 2HB SER 33 2HB SER 33 1.263 1.318 3.477 208 HG SER 33 HG SER 33 2.324 -0.504 2.590 209 H GLN 34 H GLN 34 4.266 1.087 0.476 210 HA GLN 34 HA GLN 34 2.320 1.408 -1.723 211 1HB GLN 34 1HB GLN 34 4.559 2.547 -1.630 212 2HB GLN 34 2HB GLN 34 5.321 0.950 -1.715 213 1HG GLN 34 1HG GLN 34 4.274 0.613 -3.973 214 2HG GLN 34 2HG GLN 34 3.509 2.202 -3.828 215 1HE2 GLN 34 2HE2 GLN 34 6.503 3.954 -4.587 216 2HE2 GLN 34 1HE2 GLN 34 4.889 4.156 -3.866 217 H CYS 35 H CYS 35 2.050 -0.269 -3.365 218 HA CYS 35 HA CYS 35 1.788 -2.892 -2.098 219 1HB CYS 35 1HB CYS 35 0.017 -1.717 -3.417 220 2HB CYS 35 2HB CYS 35 0.928 -2.081 -4.888 221 H LEU 36 H LEU 36 4.234 -3.090 -1.958 222 HA LEU 36 HA LEU 36 5.046 -5.036 -4.081 223 1HB LEU 36 1HB LEU 36 6.887 -3.191 -2.492 224 2HB LEU 36 2HB LEU 36 7.385 -4.649 -3.335 225 HG LEU 36 HG LEU 36 6.454 -3.618 -5.487 226 1HD1 LEU 36 3HD2 LEU 36 5.191 -1.672 -4.486 227 2HD1 LEU 36 1HD2 LEU 36 6.719 -1.045 -3.845 228 3HD1 LEU 36 2HD2 LEU 36 6.450 -1.151 -5.598 229 1HD2 LEU 36 3HD1 LEU 36 8.874 -3.870 -4.928 230 2HD2 LEU 36 1HD1 LEU 36 8.558 -2.405 -5.870 231 3HD2 LEU 36 2HD1 LEU 36 8.836 -2.292 -4.119 No H/Q in entry = 231 Start of MODEL 4 1 1H THR 1 3H THR 1 -2.142 -12.148 -9.744 2 2H THR 1 1H THR 1 -2.786 -11.954 -8.227 3 3H THR 1 2H THR 1 -3.780 -12.343 -9.471 4 HA THR 1 HA THR 1 -3.662 -10.128 -10.299 5 HB THR 1 HB THR 1 -3.987 -8.733 -8.145 6 HG1 THR 1 HG1 THR 1 -2.848 -9.849 -6.604 7 1HG2 THR 1 3HG2 THR 1 -5.623 -11.307 -8.330 8 2HG2 THR 1 1HG2 THR 1 -6.044 -9.836 -7.438 9 3HG2 THR 1 2HG2 THR 1 -5.968 -9.788 -9.195 10 H GLN 2 H GLN 2 -1.557 -10.057 -11.322 11 HA GLN 2 HA GLN 2 0.748 -8.895 -9.895 12 1HB GLN 2 1HB GLN 2 0.132 -10.068 -12.634 13 2HB GLN 2 2HB GLN 2 1.578 -9.123 -12.345 14 1HG GLN 2 1HG GLN 2 2.003 -11.545 -12.090 15 2HG GLN 2 2HG GLN 2 2.401 -10.577 -10.670 16 1HE2 GLN 2 2HE2 GLN 2 0.960 -13.270 -8.889 17 2HE2 GLN 2 1HE2 GLN 2 2.444 -12.452 -9.328 18 H SER 3 H SER 3 -0.369 -7.001 -9.260 19 HA SER 3 HA SER 3 -0.749 -4.888 -11.362 20 1HB SER 3 1HB SER 3 -2.712 -5.483 -9.097 21 2HB SER 3 2HB SER 3 -2.879 -4.244 -10.348 22 HG SER 3 HG SER 3 -2.826 -6.056 -11.893 23 H HIS 4 H HIS 4 1.455 -5.353 -9.619 24 HA HIS 4 HA HIS 4 1.254 -3.888 -7.207 25 1HB HIS 4 1HB HIS 4 3.472 -5.324 -8.676 26 2HB HIS 4 2HB HIS 4 3.768 -4.470 -7.174 27 HD2 HIS 4 HD2 HIS 4 2.908 -5.633 -4.869 28 HE1 HIS 4 HE1 HIS 4 0.875 -8.896 -6.612 29 HE2 HIS 4 HE2 HIS 4 1.704 -7.868 -4.389 30 H ALA 5 H ALA 5 0.446 -1.890 -8.132 31 HA ALA 5 HA ALA 5 2.613 0.129 -8.319 32 1HB ALA 5 2HB ALA 5 2.098 -0.481 -10.660 33 2HB ALA 5 3HB ALA 5 0.382 -0.124 -10.387 34 3HB ALA 5 1HB ALA 5 1.589 1.179 -10.312 35 H GLY 6 H GLY 6 2.087 2.169 -7.554 36 1HA GLY 6 1HA GLY 6 0.881 3.889 -6.565 37 2HA GLY 6 2HA GLY 6 -0.625 3.083 -6.986 38 H GLN 7 H GLN 7 -1.390 3.828 -4.842 39 HA GLN 7 HA GLN 7 -0.034 3.069 -2.412 40 1HB GLN 7 1HB GLN 7 -1.290 5.121 -2.678 41 2HB GLN 7 2HB GLN 7 -2.812 4.221 -2.825 42 1HG GLN 7 2HG GLN 7 -2.684 3.454 -0.549 43 2HG GLN 7 1HG GLN 7 -1.011 4.009 -0.373 44 1HE2 GLN 7 2HE2 GLN 7 -3.737 6.608 0.722 45 2HE2 GLN 7 1HE2 GLN 7 -3.973 4.868 0.786 46 H CYS 8 H CYS 8 -0.073 1.175 -1.382 47 HA CYS 8 HA CYS 8 -1.995 -1.013 -1.741 48 1HB CYS 8 1HB CYS 8 0.162 -1.650 -0.974 49 2HB CYS 8 2HB CYS 8 0.230 -0.362 0.225 50 H GLY 9 H GLY 9 -1.427 1.403 0.760 51 1HA GLY 9 2HA GLY 9 -4.304 1.664 1.426 52 2HA GLY 9 1HA GLY 9 -3.287 1.010 2.718 53 H GLY 10 H GLY 10 -1.002 2.560 2.283 54 1HA GLY 10 2HA GLY 10 -0.130 4.744 2.856 55 2HA GLY 10 1HA GLY 10 -1.756 5.315 3.205 56 H ILE 11 H ILE 11 -0.085 5.846 5.106 57 HA ILE 11 HA ILE 11 -1.003 4.117 7.361 58 HB ILE 11 HB ILE 11 1.751 5.299 6.985 59 1HG1 ILE 11 2HG1 ILE 11 1.134 2.640 8.257 60 2HG1 ILE 11 1HG1 ILE 11 1.021 2.792 6.506 61 1HG2 ILE 11 3HG2 ILE 11 0.468 4.564 9.650 62 2HG2 ILE 11 1HG2 ILE 11 2.194 4.874 9.414 63 3HG2 ILE 11 2HG2 ILE 11 1.037 6.178 9.168 64 1HD1 ILE 11 3HD1 ILE 11 3.522 3.531 8.082 65 2HD1 ILE 11 1HD1 ILE 11 3.254 2.006 7.223 66 3HD1 ILE 11 2HD1 ILE 11 3.327 3.525 6.318 67 H GLY 12 H GLY 12 -1.870 5.244 9.084 68 1HA GLY 12 2HA GLY 12 -2.979 7.042 10.126 69 2HA GLY 12 1HA GLY 12 -2.302 8.193 8.978 70 H TYR 13 H TYR 13 -3.069 7.428 6.551 71 HA TYR 13 HA TYR 13 -5.984 6.926 6.402 72 1HB TYR 13 1HB TYR 13 -4.624 8.168 4.632 73 2HB TYR 13 2HB TYR 13 -3.939 6.618 4.174 74 HD1 TYR 13 HD2 TYR 13 -5.871 4.671 3.717 75 HD2 TYR 13 HD1 TYR 13 -6.417 8.953 3.358 76 HE1 TYR 13 HE2 TYR 13 -7.930 4.310 2.391 77 HE2 TYR 13 HE1 TYR 13 -8.367 8.553 1.862 78 HH TYR 13 HH TYR 13 -9.449 5.276 1.013 79 H SER 14 H SER 14 -6.807 4.892 6.694 80 HA SER 14 HA SER 14 -5.240 2.479 5.874 81 1HB SER 14 1HB SER 14 -6.367 2.769 8.695 82 2HB SER 14 2HB SER 14 -5.462 1.400 8.042 83 HG SER 14 HG SER 14 -3.814 3.229 7.592 84 H GLY 15 H GLY 15 -7.931 3.864 5.150 85 1HA GLY 15 1HA GLY 15 -9.883 1.691 5.548 86 2HA GLY 15 2HA GLY 15 -10.125 3.189 4.659 87 HA PRO 16 HA PRO 16 -9.339 -0.639 1.934 88 1HB PRO 16 2HB PRO 16 -11.829 -1.254 0.988 89 2HB PRO 16 1HB PRO 16 -11.252 -1.722 2.600 90 1HG PRO 16 1HG PRO 16 -12.876 0.761 1.904 91 2HG PRO 16 2HG PRO 16 -13.296 -0.493 3.104 92 1HD PRO 16 2HD PRO 16 -12.032 1.742 3.919 93 2HD PRO 16 1HD PRO 16 -11.488 0.154 4.530 94 H THR 17 H THR 17 -8.238 1.336 1.017 95 HA THR 17 HA THR 17 -9.226 1.793 -1.809 96 HB THR 17 HB THR 17 -8.481 3.830 -0.745 97 HG1 THR 17 HG1 THR 17 -6.474 2.985 -2.529 98 1HG2 THR 17 3HG2 THR 17 -5.734 2.485 -0.506 99 2HG2 THR 17 1HG2 THR 17 -6.057 4.194 -0.242 100 3HG2 THR 17 2HG2 THR 17 -6.729 2.979 0.872 101 H VAL 18 H VAL 18 -8.772 -0.805 -1.222 102 HA VAL 18 HA VAL 18 -6.061 -1.615 -1.215 103 HB VAL 18 HB VAL 18 -7.775 -2.764 -0.018 104 1HG1 VAL 18 3HG2 VAL 18 -9.637 -2.715 -1.736 105 2HG1 VAL 18 1HG2 VAL 18 -8.805 -4.025 -2.598 106 3HG1 VAL 18 2HG2 VAL 18 -9.363 -4.283 -0.950 107 1HG2 VAL 18 2HG1 VAL 18 -5.650 -3.919 -0.580 108 2HG2 VAL 18 3HG1 VAL 18 -7.009 -5.052 -0.446 109 3HG2 VAL 18 1HG1 VAL 18 -6.404 -4.588 -2.043 110 H CYS 19 H CYS 19 -4.778 -1.332 -2.940 111 HA CYS 19 HA CYS 19 -5.230 -1.684 -5.657 112 1HB CYS 19 1HB CYS 19 -3.249 -0.669 -4.815 113 2HB CYS 19 2HB CYS 19 -2.796 -2.108 -3.906 114 H ALA 20 H ALA 20 -4.240 -4.365 -3.436 115 HA ALA 20 HA ALA 20 -4.742 -6.356 -5.604 116 1HB ALA 20 2HB ALA 20 -2.481 -5.467 -5.971 117 2HB ALA 20 3HB ALA 20 -2.031 -5.859 -4.299 118 3HB ALA 20 1HB ALA 20 -2.395 -7.156 -5.453 119 H SER 21 H SER 21 -4.408 -8.564 -5.056 120 HA SER 21 HA SER 21 -4.873 -9.311 -2.186 121 1HB SER 21 1HB SER 21 -6.855 -9.766 -3.514 122 2HB SER 21 2HB SER 21 -5.921 -10.729 -4.674 123 HG SER 21 HG SER 21 -7.048 -11.851 -2.785 124 H GLY 22 H GLY 22 -4.269 -11.741 -1.902 125 1HA GLY 22 2HA GLY 22 -2.402 -13.223 -1.678 126 2HA GLY 22 1HA GLY 22 -1.439 -12.232 -2.773 127 H THR 23 H THR 23 -1.671 -9.753 -1.642 128 HA THR 23 HA THR 23 -1.730 -8.350 0.109 129 HB THR 23 HB THR 23 -1.464 -10.603 2.115 130 HG1 THR 23 HG1 THR 23 -3.779 -10.452 2.088 131 1HG2 THR 23 3HG2 THR 23 -2.770 -7.840 2.252 132 2HG2 THR 23 1HG2 THR 23 -2.775 -9.061 3.539 133 3HG2 THR 23 2HG2 THR 23 -1.257 -8.298 3.063 134 H THR 24 H THR 24 0.350 -7.935 -1.066 135 HA THR 24 HA THR 24 2.586 -7.645 0.896 136 HB THR 24 HB THR 24 4.024 -7.198 -1.028 137 HG1 THR 24 HG1 THR 24 3.261 -7.012 -2.917 138 1HG2 THR 24 2HG2 THR 24 3.936 -9.495 -0.156 139 2HG2 THR 24 3HG2 THR 24 2.606 -9.882 -1.276 140 3HG2 THR 24 1HG2 THR 24 4.213 -9.460 -1.911 141 H CYS 25 H CYS 25 3.802 -5.441 0.508 142 HA CYS 25 HA CYS 25 2.240 -3.116 0.180 143 1HB CYS 25 1HB CYS 25 0.795 -4.480 1.905 144 2HB CYS 25 2HB CYS 25 2.041 -4.077 3.057 145 H GLN 26 H GLN 26 4.077 -1.869 -0.114 146 HA GLN 26 HA GLN 26 6.380 -2.120 1.745 147 1HB GLN 26 1HB GLN 26 6.632 -2.821 -0.566 148 2HB GLN 26 2HB GLN 26 6.182 -1.202 -1.123 149 1HG GLN 26 2HG GLN 26 8.633 -1.679 -1.222 150 2HG GLN 26 1HG GLN 26 8.225 -0.234 -0.313 151 1HE2 GLN 26 2HE2 GLN 26 9.387 -3.328 2.080 152 2HE2 GLN 26 1HE2 GLN 26 8.022 -3.612 0.978 153 H VAL 27 H VAL 27 6.909 -0.597 3.102 154 HA VAL 27 HA VAL 27 5.976 2.183 2.968 155 HB VAL 27 HB VAL 27 5.870 1.109 5.054 156 1HG1 VAL 27 1HG2 VAL 27 8.880 0.623 5.003 157 2HG1 VAL 27 2HG2 VAL 27 7.803 0.375 6.378 158 3HG1 VAL 27 3HG2 VAL 27 7.608 -0.608 4.930 159 1HG2 VAL 27 3HG1 VAL 27 6.416 3.533 5.021 160 2HG2 VAL 27 1HG1 VAL 27 6.997 2.717 6.481 161 3HG2 VAL 27 2HG1 VAL 27 8.139 3.129 5.192 162 H LEU 28 H LEU 28 6.969 3.389 1.384 163 HA LEU 28 HA LEU 28 9.873 3.405 0.915 164 1HB LEU 28 1HB LEU 28 7.629 5.249 -0.027 165 2HB LEU 28 2HB LEU 28 9.331 5.486 -0.410 166 HG LEU 28 HG LEU 28 9.409 3.226 -1.486 167 1HD1 LEU 28 3HD1 LEU 28 6.400 3.331 -1.022 168 2HD1 LEU 28 1HD1 LEU 28 7.178 2.271 -2.223 169 3HD1 LEU 28 2HD1 LEU 28 7.521 2.047 -0.516 170 1HD2 LEU 28 2HD2 LEU 28 9.131 5.300 -2.803 171 2HD2 LEU 28 3HD2 LEU 28 8.244 3.956 -3.536 172 3HD2 LEU 28 1HD2 LEU 28 7.368 5.193 -2.613 173 H ASN 29 H ASN 29 7.828 6.126 1.940 174 HA ASN 29 HA ASN 29 9.579 6.618 4.322 175 1HB ASN 29 1HB ASN 29 8.780 8.971 4.278 176 2HB ASN 29 2HB ASN 29 9.683 8.548 2.832 177 1HD2 ASN 29 1HD2 ASN 29 5.725 9.459 2.472 178 2HD2 ASN 29 2HD2 ASN 29 6.330 9.126 4.092 179 HA PRO 30 HA PRO 30 5.904 5.525 6.735 180 1HB PRO 30 2HB PRO 30 5.956 7.339 8.823 181 2HB PRO 30 1HB PRO 30 7.039 5.929 8.710 182 1HG PRO 30 1HG PRO 30 7.625 8.765 7.796 183 2HG PRO 30 2HG PRO 30 8.617 7.745 8.874 184 1HD PRO 30 2HD PRO 30 9.216 7.887 6.265 185 2HD PRO 30 1HD PRO 30 9.221 6.286 7.049 186 H TYR 31 H TYR 31 3.781 6.326 7.158 187 HA TYR 31 HA TYR 31 1.852 7.405 6.634 188 1HB TYR 31 2HB TYR 31 3.421 9.793 5.645 189 2HB TYR 31 1HB TYR 31 1.688 9.650 5.784 190 HD1 TYR 31 HD1 TYR 31 0.564 9.295 7.981 191 HD2 TYR 31 HD2 TYR 31 4.787 10.175 7.711 192 HE1 TYR 31 HE1 TYR 31 0.690 9.456 10.456 193 HE2 TYR 31 HE2 TYR 31 4.895 10.341 10.202 194 HH TYR 31 HH TYR 31 2.014 9.793 12.225 195 H TYR 32 H TYR 32 4.279 7.317 4.010 196 HA TYR 32 HA TYR 32 2.204 6.572 2.043 197 1HB TYR 32 1HB TYR 32 4.338 7.988 1.619 198 2HB TYR 32 2HB TYR 32 5.190 6.461 1.599 199 HD1 TYR 32 HD1 TYR 32 4.215 4.621 -0.101 200 HD2 TYR 32 HD2 TYR 32 3.373 8.859 -0.328 201 HE1 TYR 32 HE1 TYR 32 3.379 4.363 -2.440 202 HE2 TYR 32 HE2 TYR 32 2.772 8.603 -2.721 203 HH TYR 32 HH TYR 32 2.562 7.169 -4.437 204 H SER 33 H SER 33 1.706 4.481 1.445 205 HA SER 33 HA SER 33 3.595 2.269 1.964 206 1HB SER 33 1HB SER 33 2.165 2.334 3.987 207 2HB SER 33 2HB SER 33 0.753 1.975 2.986 208 HG SER 33 HG SER 33 1.829 0.015 2.362 209 H GLN 34 H GLN 34 3.931 1.461 0.058 210 HA GLN 34 HA GLN 34 2.064 1.844 -2.165 211 1HB GLN 34 1HB GLN 34 4.548 2.577 -1.968 212 2HB GLN 34 2HB GLN 34 4.956 0.905 -2.299 213 1HG GLN 34 1HG GLN 34 3.922 1.030 -4.512 214 2HG GLN 34 2HG GLN 34 3.161 2.578 -4.125 215 1HE2 GLN 34 2HE2 GLN 34 6.011 4.472 -4.957 216 2HE2 GLN 34 1HE2 GLN 34 4.385 4.570 -4.282 217 H CYS 35 H CYS 35 1.725 0.267 -3.819 218 HA CYS 35 HA CYS 35 1.186 -2.446 -2.871 219 1HB CYS 35 1HB CYS 35 -0.301 -0.985 -4.270 220 2HB CYS 35 2HB CYS 35 0.824 -1.186 -5.612 221 H LEU 36 H LEU 36 3.718 -2.593 -2.485 222 HA LEU 36 HA LEU 36 4.779 -4.311 -4.683 223 1HB LEU 36 1HB LEU 36 6.351 -2.435 -2.922 224 2HB LEU 36 2HB LEU 36 7.037 -3.939 -3.517 225 HG LEU 36 HG LEU 36 6.463 -3.195 -5.875 226 1HD1 LEU 36 3HD1 LEU 36 6.173 -0.497 -4.464 227 2HD1 LEU 36 1HD1 LEU 36 6.319 -0.725 -6.220 228 3HD1 LEU 36 2HD1 LEU 36 4.896 -1.331 -5.374 229 1HD2 LEU 36 2HD2 LEU 36 8.751 -3.183 -4.924 230 2HD2 LEU 36 3HD2 LEU 36 8.504 -1.812 -6.017 231 3HD2 LEU 36 1HD2 LEU 36 8.475 -1.563 -4.259 No H/Q in entry = 231 Start of MODEL 5 1 1H THR 1 3H THR 1 -1.784 -14.207 -8.167 2 2H THR 1 1H THR 1 -2.808 -13.951 -6.893 3 3H THR 1 2H THR 1 -3.449 -14.271 -8.373 4 HA THR 1 HA THR 1 -2.891 -12.126 -9.130 5 HB THR 1 HB THR 1 -3.528 -10.661 -6.895 6 HG1 THR 1 HG1 THR 1 -4.122 -11.883 -5.290 7 1HG2 THR 1 3HG2 THR 1 -5.457 -12.615 -8.243 8 2HG2 THR 1 1HG2 THR 1 -5.874 -11.196 -7.256 9 3HG2 THR 1 2HG2 THR 1 -5.052 -10.974 -8.810 10 H GLN 2 H GLN 2 -2.065 -9.832 -8.029 11 HA GLN 2 HA GLN 2 0.381 -9.454 -6.849 12 1HB GLN 2 2HB GLN 2 1.404 -11.032 -8.449 13 2HB GLN 2 1HB GLN 2 0.661 -10.179 -9.804 14 1HG GLN 2 1HG GLN 2 3.060 -9.709 -9.552 15 2HG GLN 2 2HG GLN 2 2.122 -8.230 -9.370 16 1HE2 GLN 2 2HE2 GLN 2 3.685 -7.638 -6.247 17 2HE2 GLN 2 1HE2 GLN 2 2.825 -6.968 -7.628 18 H SER 3 H SER 3 0.488 -7.189 -6.732 19 HA SER 3 HA SER 3 -0.866 -5.535 -8.870 20 1HB SER 3 1HB SER 3 -0.299 -4.627 -6.031 21 2HB SER 3 2HB SER 3 -1.190 -3.772 -7.269 22 HG SER 3 HG SER 3 -1.989 -6.136 -5.948 23 H HIS 4 H HIS 4 0.207 -3.107 -8.552 24 HA HIS 4 HA HIS 4 3.162 -3.254 -8.843 25 1HB HIS 4 1HB HIS 4 1.248 -2.225 -10.992 26 2HB HIS 4 2HB HIS 4 3.001 -2.059 -11.045 27 HD2 HIS 4 HD2 HIS 4 4.274 -4.786 -10.648 28 HE1 HIS 4 HE1 HIS 4 1.178 -6.565 -12.920 29 HE2 HIS 4 HE2 HIS 4 3.510 -6.932 -11.954 30 H ALA 5 H ALA 5 3.720 -0.714 -9.717 31 HA ALA 5 HA ALA 5 3.917 0.562 -7.249 32 1HB ALA 5 3HB ALA 5 5.568 0.754 -9.011 33 2HB ALA 5 1HB ALA 5 4.452 1.738 -9.991 34 3HB ALA 5 2HB ALA 5 5.068 2.348 -8.443 35 H GLY 6 H GLY 6 1.689 0.611 -6.589 36 1HA GLY 6 1HA GLY 6 0.608 3.350 -6.554 37 2HA GLY 6 2HA GLY 6 -0.466 2.082 -7.184 38 H GLN 7 H GLN 7 -1.479 3.263 -5.010 39 HA GLN 7 HA GLN 7 -0.124 2.693 -2.584 40 1HB GLN 7 1HB GLN 7 -1.589 4.684 -3.208 41 2HB GLN 7 2HB GLN 7 -2.964 3.663 -2.758 42 1HG GLN 7 2HG GLN 7 -2.067 3.486 -0.449 43 2HG GLN 7 1HG GLN 7 -0.582 4.320 -0.950 44 1HE2 GLN 7 2HE2 GLN 7 -2.390 6.951 0.706 45 2HE2 GLN 7 1HE2 GLN 7 -1.435 5.539 1.159 46 H CYS 8 H CYS 8 -0.621 1.509 -0.776 47 HA CYS 8 HA CYS 8 -2.073 -1.059 -1.112 48 1HB CYS 8 2HB CYS 8 0.196 -1.097 -0.182 49 2HB CYS 8 1HB CYS 8 -0.269 0.064 1.064 50 H GLY 9 H GLY 9 -2.146 1.549 1.267 51 1HA GLY 9 1HA GLY 9 -4.132 2.100 2.678 52 2HA GLY 9 2HA GLY 9 -4.641 0.420 2.539 53 H GLY 10 H GLY 10 -3.030 2.531 4.620 54 1HA GLY 10 1HA GLY 10 -1.780 0.433 6.237 55 2HA GLY 10 2HA GLY 10 -0.588 1.266 5.237 56 H ILE 11 H ILE 11 0.531 2.611 6.564 57 HA ILE 11 HA ILE 11 -0.186 3.347 9.159 58 HB ILE 11 HB ILE 11 1.749 4.847 7.392 59 1HG1 ILE 11 2HG1 ILE 11 2.471 2.619 9.331 60 2HG1 ILE 11 1HG1 ILE 11 2.201 2.326 7.613 61 1HG2 ILE 11 2HG2 ILE 11 1.153 6.073 9.490 62 2HG2 ILE 11 3HG2 ILE 11 1.496 4.623 10.440 63 3HG2 ILE 11 1HG2 ILE 11 2.798 5.484 9.608 64 1HD1 ILE 11 2HD1 ILE 11 3.991 3.926 7.009 65 2HD1 ILE 11 3HD1 ILE 11 4.352 4.163 8.733 66 3HD1 ILE 11 1HD1 ILE 11 4.569 2.575 7.992 67 H GLY 12 H GLY 12 -2.261 4.186 9.316 68 1HA GLY 12 2HA GLY 12 -3.583 6.022 9.910 69 2HA GLY 12 1HA GLY 12 -2.518 7.133 9.051 70 H TYR 13 H TYR 13 -2.570 6.435 6.435 71 HA TYR 13 HA TYR 13 -5.297 6.878 5.536 72 1HB TYR 13 1HB TYR 13 -3.256 7.647 4.361 73 2HB TYR 13 2HB TYR 13 -3.017 6.020 3.754 74 HD1 TYR 13 HD2 TYR 13 -6.069 5.396 3.087 75 HD2 TYR 13 HD1 TYR 13 -3.460 8.748 2.243 76 HE1 TYR 13 HE2 TYR 13 -7.591 6.142 1.306 77 HE2 TYR 13 HE1 TYR 13 -4.923 9.346 0.320 78 HH TYR 13 HH TYR 13 -6.835 8.875 -0.811 79 H SER 14 H SER 14 -6.334 5.270 6.685 80 HA SER 14 HA SER 14 -6.511 2.526 5.554 81 1HB SER 14 2HB SER 14 -6.527 2.872 8.012 82 2HB SER 14 1HB SER 14 -8.004 3.833 7.878 83 HG SER 14 HG SER 14 -8.770 1.796 6.676 84 H GLY 15 H GLY 15 -7.644 5.314 4.328 85 1HA GLY 15 2HA GLY 15 -10.471 4.715 3.902 86 2HA GLY 15 1HA GLY 15 -9.529 6.002 3.152 87 HA PRO 16 HA PRO 16 -10.581 2.618 -0.076 88 1HB PRO 16 2HB PRO 16 -11.835 5.103 -1.271 89 2HB PRO 16 1HB PRO 16 -12.299 3.396 -1.491 90 1HG PRO 16 2HG PRO 16 -13.656 4.906 0.280 91 2HG PRO 16 1HG PRO 16 -13.097 3.287 0.796 92 1HD PRO 16 1HD PRO 16 -11.754 5.973 1.324 93 2HD PRO 16 2HD PRO 16 -12.162 4.671 2.475 94 H THR 17 H THR 17 -8.154 2.903 -0.009 95 HA THR 17 HA THR 17 -7.332 3.611 -2.788 96 HB THR 17 HB THR 17 -6.639 5.433 -1.253 97 HG1 THR 17 HG1 THR 17 -4.509 5.453 -2.099 98 1HG2 THR 17 2HG2 THR 17 -6.018 3.997 0.747 99 2HG2 THR 17 3HG2 THR 17 -4.557 3.501 -0.120 100 3HG2 THR 17 1HG2 THR 17 -4.799 5.194 0.271 101 H VAL 18 H VAL 18 -8.182 1.313 -2.443 102 HA VAL 18 HA VAL 18 -6.270 -0.565 -1.196 103 HB VAL 18 HB VAL 18 -8.510 -0.358 -0.273 104 1HG1 VAL 18 2HG1 VAL 18 -9.827 0.078 -2.368 105 2HG1 VAL 18 3HG1 VAL 18 -9.597 -1.619 -2.831 106 3HG1 VAL 18 1HG1 VAL 18 -10.498 -1.215 -1.366 107 1HG2 VAL 18 3HG2 VAL 18 -7.248 -2.466 -0.019 108 2HG2 VAL 18 1HG2 VAL 18 -8.997 -2.742 -0.063 109 3HG2 VAL 18 2HG2 VAL 18 -8.011 -3.108 -1.487 110 H CYS 19 H CYS 19 -5.252 -2.121 -2.204 111 HA CYS 19 HA CYS 19 -5.556 -2.566 -5.125 112 1HB CYS 19 1HB CYS 19 -3.294 -3.424 -4.971 113 2HB CYS 19 2HB CYS 19 -3.386 -1.892 -4.123 114 H ALA 20 H ALA 20 -4.475 -4.964 -5.594 115 HA ALA 20 HA ALA 20 -6.540 -6.919 -4.819 116 1HB ALA 20 2HB ALA 20 -5.884 -6.650 -7.177 117 2HB ALA 20 3HB ALA 20 -4.226 -7.143 -6.777 118 3HB ALA 20 1HB ALA 20 -5.568 -8.288 -6.578 119 H SER 21 H SER 21 -6.279 -8.415 -3.261 120 HA SER 21 HA SER 21 -3.952 -8.688 -1.650 121 1HB SER 21 1HB SER 21 -6.322 -9.228 -0.953 122 2HB SER 21 2HB SER 21 -6.200 -10.725 -1.888 123 HG SER 21 HG SER 21 -4.730 -9.961 0.429 124 H GLY 22 H GLY 22 -3.148 -11.041 -1.066 125 1HA GLY 22 1HA GLY 22 -1.313 -12.388 -1.552 126 2HA GLY 22 2HA GLY 22 -2.009 -12.696 -3.138 127 H THR 23 H THR 23 -0.731 -9.862 -1.459 128 HA THR 23 HA THR 23 1.587 -9.293 -3.136 129 HB THR 23 HB THR 23 -0.724 -7.272 -3.003 130 HG1 THR 23 HG1 THR 23 -1.352 -8.856 -4.391 131 1HG2 THR 23 3HG2 THR 23 1.914 -7.333 -4.528 132 2HG2 THR 23 1HG2 THR 23 0.644 -6.149 -4.805 133 3HG2 THR 23 2HG2 THR 23 1.449 -6.201 -3.238 134 H THR 24 H THR 24 2.985 -7.624 -1.902 135 HA THR 24 HA THR 24 2.055 -7.323 0.923 136 HB THR 24 HB THR 24 4.452 -6.901 1.515 137 HG1 THR 24 HG1 THR 24 5.752 -8.230 -0.142 138 1HG2 THR 24 3HG2 THR 24 3.606 -9.615 0.436 139 2HG2 THR 24 1HG2 THR 24 4.955 -9.336 1.563 140 3HG2 THR 24 2HG2 THR 24 3.295 -8.969 2.062 141 H CYS 25 H CYS 25 2.571 -5.601 2.151 142 HA CYS 25 HA CYS 25 1.836 -3.046 0.896 143 1HB CYS 25 1HB CYS 25 0.680 -4.341 2.859 144 2HB CYS 25 2HB CYS 25 1.967 -3.686 3.859 145 H GLN 26 H GLN 26 4.057 -2.811 0.014 146 HA GLN 26 HA GLN 26 6.357 -2.366 1.689 147 1HB GLN 26 1HB GLN 26 6.429 -3.141 -0.649 148 2HB GLN 26 2HB GLN 26 5.828 -1.583 -1.213 149 1HG GLN 26 2HG GLN 26 8.264 -1.815 -1.548 150 2HG GLN 26 1HG GLN 26 7.892 -0.475 -0.477 151 1HE2 GLN 26 2HE2 GLN 26 10.125 -3.542 0.943 152 2HE2 GLN 26 1HE2 GLN 26 9.360 -3.723 -0.644 153 H VAL 27 H VAL 27 7.583 -0.419 1.985 154 HA VAL 27 HA VAL 27 5.967 2.102 2.171 155 HB VAL 27 HB VAL 27 6.313 1.088 4.332 156 1HG1 VAL 27 1HG2 VAL 27 9.317 1.364 3.842 157 2HG1 VAL 27 2HG2 VAL 27 8.543 0.944 5.378 158 3HG1 VAL 27 3HG2 VAL 27 8.416 -0.156 4.003 159 1HG2 VAL 27 2HG1 VAL 27 6.248 3.563 4.106 160 2HG2 VAL 27 3HG1 VAL 27 7.227 3.045 5.488 161 3HG2 VAL 27 1HG1 VAL 27 8.025 3.585 4.001 162 H LEU 28 H LEU 28 6.778 3.966 1.455 163 HA LEU 28 HA LEU 28 9.611 4.117 0.397 164 1HB LEU 28 1HB LEU 28 7.098 5.646 -0.349 165 2HB LEU 28 2HB LEU 28 8.709 6.262 -0.669 166 HG LEU 28 HG LEU 28 9.271 4.310 -2.034 167 1HD1 LEU 28 1HD2 LEU 28 6.405 3.409 -1.498 168 2HD1 LEU 28 2HD2 LEU 28 7.388 2.822 -2.854 169 3HD1 LEU 28 3HD2 LEU 28 7.912 2.508 -1.205 170 1HD2 LEU 28 1HD1 LEU 28 6.709 5.760 -2.845 171 2HD2 LEU 28 2HD1 LEU 28 8.374 6.339 -3.071 172 3HD2 LEU 28 3HD1 LEU 28 7.807 4.912 -3.950 173 H ASN 29 H ASN 29 7.235 6.348 1.829 174 HA ASN 29 HA ASN 29 9.141 7.051 4.022 175 1HB ASN 29 1HB ASN 29 7.158 8.913 2.619 176 2HB ASN 29 2HB ASN 29 8.134 9.349 4.014 177 1HD2 ASN 29 1HD2 ASN 29 11.191 9.436 2.043 178 2HD2 ASN 29 2HD2 ASN 29 10.687 8.781 3.596 179 HA PRO 30 HA PRO 30 5.885 5.699 6.765 180 1HB PRO 30 2HB PRO 30 6.029 7.520 8.849 181 2HB PRO 30 1HB PRO 30 7.203 6.204 8.583 182 1HG PRO 30 1HG PRO 30 7.451 9.081 7.654 183 2HG PRO 30 2HG PRO 30 8.648 8.127 8.576 184 1HD PRO 30 2HD PRO 30 8.877 8.350 5.923 185 2HD PRO 30 1HD PRO 30 9.128 6.746 6.661 186 H TYR 31 H TYR 31 3.712 6.117 7.101 187 HA TYR 31 HA TYR 31 1.662 6.937 6.772 188 1HB TYR 31 1HB TYR 31 2.833 9.671 6.263 189 2HB TYR 31 2HB TYR 31 1.137 9.273 6.301 190 HD1 TYR 31 HD1 TYR 31 -0.015 8.549 8.365 191 HD2 TYR 31 HD2 TYR 31 4.151 9.703 8.410 192 HE1 TYR 31 HE1 TYR 31 -0.080 8.729 10.853 193 HE2 TYR 31 HE2 TYR 31 4.051 9.931 10.886 194 HH TYR 31 HH TYR 31 2.745 9.807 12.725 195 H TYR 32 H TYR 32 3.913 7.213 4.093 196 HA TYR 32 HA TYR 32 1.677 6.614 2.187 197 1HB TYR 32 2HB TYR 32 3.374 8.186 1.390 198 2HB TYR 32 1HB TYR 32 4.626 6.973 1.598 199 HD1 TYR 32 HD1 TYR 32 1.521 7.864 -0.283 200 HD2 TYR 32 HD2 TYR 32 4.911 5.191 -0.115 201 HE1 TYR 32 HE1 TYR 32 0.869 6.890 -2.465 202 HE2 TYR 32 HE2 TYR 32 4.293 4.318 -2.393 203 HH TYR 32 HH TYR 32 1.292 5.296 -3.989 204 H SER 33 H SER 33 1.601 4.579 1.112 205 HA SER 33 HA SER 33 3.619 2.547 1.550 206 1HB SER 33 1HB SER 33 2.387 2.115 3.586 207 2HB SER 33 2HB SER 33 0.846 2.059 2.705 208 HG SER 33 HG SER 33 3.033 0.278 2.226 209 H GLN 34 H GLN 34 3.764 1.180 -0.116 210 HA GLN 34 HA GLN 34 1.875 1.417 -2.392 211 1HB GLN 34 1HB GLN 34 4.432 2.219 -2.393 212 2HB GLN 34 2HB GLN 34 4.748 0.536 -2.733 213 1HG GLN 34 1HG GLN 34 3.396 0.668 -4.779 214 2HG GLN 34 2HG GLN 34 2.765 2.251 -4.318 215 1HE2 GLN 34 2HE2 GLN 34 5.474 4.002 -5.701 216 2HE2 GLN 34 1HE2 GLN 34 3.909 4.135 -4.874 217 H CYS 35 H CYS 35 1.325 -0.468 -3.608 218 HA CYS 35 HA CYS 35 1.369 -2.995 -2.031 219 1HB CYS 35 1HB CYS 35 -0.735 -1.890 -2.591 220 2HB CYS 35 2HB CYS 35 -0.419 -2.121 -4.305 221 H LEU 36 H LEU 36 3.256 -4.066 -2.575 222 HA LEU 36 HA LEU 36 3.948 -4.594 -5.444 223 1HB LEU 36 1HB LEU 36 5.593 -3.593 -3.130 224 2HB LEU 36 2HB LEU 36 6.339 -4.761 -4.204 225 HG LEU 36 HG LEU 36 5.999 -3.383 -6.151 226 1HD1 LEU 36 1HD2 LEU 36 4.675 -1.396 -4.255 227 2HD1 LEU 36 2HD2 LEU 36 5.269 -0.981 -5.879 228 3HD1 LEU 36 3HD2 LEU 36 3.962 -2.150 -5.697 229 1HD2 LEU 36 3HD1 LEU 36 8.028 -3.121 -4.707 230 2HD2 LEU 36 1HD1 LEU 36 7.618 -1.637 -5.587 231 3HD2 LEU 36 2HD1 LEU 36 7.225 -1.781 -3.863 No H/Q in entry = 231 Start of MODEL 6 1 1H THR 1 3H THR 1 -9.235 -8.218 -4.935 2 2H THR 1 1H THR 1 -9.308 -8.296 -6.588 3 3H THR 1 2H THR 1 -8.544 -9.498 -5.749 4 HA THR 1 HA THR 1 -6.742 -8.050 -5.256 5 HB THR 1 HB THR 1 -6.143 -7.271 -7.645 6 HG1 THR 1 HG1 THR 1 -7.695 -7.671 -9.221 7 1HG2 THR 1 2HG2 THR 1 -5.864 -9.763 -6.912 8 2HG2 THR 1 3HG2 THR 1 -7.374 -10.069 -7.795 9 3HG2 THR 1 1HG2 THR 1 -5.975 -9.433 -8.647 10 H GLN 2 H GLN 2 -6.103 -5.893 -4.543 11 HA GLN 2 HA GLN 2 -7.589 -3.586 -5.750 12 1HB GLN 2 2HB GLN 2 -6.936 -3.753 -3.249 13 2HB GLN 2 1HB GLN 2 -5.330 -3.301 -3.772 14 1HG GLN 2 1HG GLN 2 -7.831 -1.663 -4.501 15 2HG GLN 2 2HG GLN 2 -7.078 -1.532 -2.914 16 1HE2 GLN 2 2HE2 GLN 2 -5.735 1.241 -4.883 17 2HE2 GLN 2 1HE2 GLN 2 -7.406 0.744 -4.636 18 H SER 3 H SER 3 -4.686 -2.294 -5.551 19 HA SER 3 HA SER 3 -3.877 -2.973 -8.338 20 1HB SER 3 1HB SER 3 -4.374 -0.573 -7.694 21 2HB SER 3 2HB SER 3 -3.018 -0.653 -6.555 22 HG SER 3 HG SER 3 -2.013 0.013 -8.402 23 H HIS 4 H HIS 4 -1.437 -2.444 -8.523 24 HA HIS 4 HA HIS 4 0.260 -3.734 -6.396 25 1HB HIS 4 1HB HIS 4 0.355 -5.214 -8.253 26 2HB HIS 4 2HB HIS 4 0.522 -3.903 -9.420 27 HD2 HIS 4 HD2 HIS 4 2.727 -5.540 -6.567 28 HE1 HIS 4 HE1 HIS 4 5.214 -3.667 -9.429 29 HE2 HIS 4 HE2 HIS 4 5.190 -5.151 -7.351 30 H ALA 5 H ALA 5 1.386 -1.910 -9.173 31 HA ALA 5 HA ALA 5 2.712 0.171 -8.010 32 1HB ALA 5 2HB ALA 5 2.615 -0.335 -10.424 33 2HB ALA 5 3HB ALA 5 0.972 0.333 -10.507 34 3HB ALA 5 1HB ALA 5 2.349 1.388 -10.116 35 H GLY 6 H GLY 6 2.303 1.951 -6.877 36 1HA GLY 6 1HA GLY 6 1.163 3.960 -6.276 37 2HA GLY 6 2HA GLY 6 -0.387 3.261 -6.726 38 H GLN 7 H GLN 7 -0.931 4.267 -4.577 39 HA GLN 7 HA GLN 7 0.201 3.214 -2.134 40 1HB GLN 7 1HB GLN 7 -0.576 5.536 -2.349 41 2HB GLN 7 2HB GLN 7 -2.245 4.968 -2.538 42 1HG GLN 7 2HG GLN 7 -2.096 3.889 -0.258 43 2HG GLN 7 1HG GLN 7 -0.451 4.490 -0.102 44 1HE2 GLN 7 2HE2 GLN 7 -1.905 7.202 1.651 45 2HE2 GLN 7 1HE2 GLN 7 -0.773 5.870 1.723 46 H CYS 8 H CYS 8 -0.281 1.321 -1.230 47 HA CYS 8 HA CYS 8 -2.802 -0.154 -1.865 48 1HB CYS 8 2HB CYS 8 -1.567 -2.112 -0.979 49 2HB CYS 8 1HB CYS 8 -0.781 -1.292 -2.321 50 H GLY 9 H GLY 9 -1.178 1.174 0.984 51 1HA GLY 9 1HA GLY 9 -3.485 1.483 2.599 52 2HA GLY 9 2HA GLY 9 -2.860 -0.126 2.955 53 H GLY 10 H GLY 10 -2.081 3.313 3.044 54 1HA GLY 10 1HA GLY 10 0.239 2.972 4.897 55 2HA GLY 10 2HA GLY 10 -0.370 4.428 4.133 56 H ILE 11 H ILE 11 -0.314 5.525 6.161 57 HA ILE 11 HA ILE 11 -2.475 4.888 8.150 58 HB ILE 11 HB ILE 11 0.081 6.428 8.705 59 1HG1 ILE 11 2HG1 ILE 11 -0.648 3.603 9.602 60 2HG1 ILE 11 1HG1 ILE 11 0.495 3.968 8.312 61 1HG2 ILE 11 2HG2 ILE 11 -1.895 7.105 10.063 62 2HG2 ILE 11 3HG2 ILE 11 -2.076 5.421 10.596 63 3HG2 ILE 11 1HG2 ILE 11 -0.631 6.354 11.031 64 1HD1 ILE 11 2HD1 ILE 11 1.891 5.276 9.948 65 2HD1 ILE 11 3HD1 ILE 11 0.853 4.640 11.245 66 3HD1 ILE 11 1HD1 ILE 11 1.794 3.533 10.239 67 H GLY 12 H GLY 12 -4.189 6.151 7.513 68 1HA GLY 12 2HA GLY 12 -5.380 8.018 6.671 69 2HA GLY 12 1HA GLY 12 -3.912 8.987 6.700 70 H TYR 13 H TYR 13 -5.625 6.445 4.901 71 HA TYR 13 HA TYR 13 -3.839 6.722 2.524 72 1HB TYR 13 1HB TYR 13 -4.111 4.249 2.325 73 2HB TYR 13 2HB TYR 13 -3.279 4.798 3.767 74 HD1 TYR 13 HD1 TYR 13 -4.348 4.703 6.004 75 HD2 TYR 13 HD2 TYR 13 -6.320 3.082 2.520 76 HE1 TYR 13 HE1 TYR 13 -5.913 3.434 7.475 77 HE2 TYR 13 HE2 TYR 13 -7.784 1.733 4.006 78 HH TYR 13 HH TYR 13 -7.823 0.842 6.166 79 H SER 14 H SER 14 -4.588 6.299 0.446 80 HA SER 14 HA SER 14 -7.240 7.229 -0.077 81 1HB SER 14 1HB SER 14 -5.193 6.124 -2.031 82 2HB SER 14 2HB SER 14 -6.593 7.131 -2.421 83 HG SER 14 HG SER 14 -4.299 7.851 -0.901 84 H GLY 15 H GLY 15 -8.109 5.177 1.250 85 1HA GLY 15 2HA GLY 15 -10.228 4.242 0.644 86 2HA GLY 15 1HA GLY 15 -9.600 3.670 -0.875 87 HA PRO 16 HA PRO 16 -9.550 -0.234 1.497 88 1HB PRO 16 2HB PRO 16 -7.816 -1.236 -0.759 89 2HB PRO 16 1HB PRO 16 -9.249 -2.002 -0.023 90 1HG PRO 16 2HG PRO 16 -9.473 -0.748 -2.417 91 2HG PRO 16 1HG PRO 16 -10.723 -0.494 -1.168 92 1HD PRO 16 2HD PRO 16 -8.351 1.312 -1.812 93 2HD PRO 16 1HD PRO 16 -10.090 1.717 -1.646 94 H THR 17 H THR 17 -7.957 -1.875 2.317 95 HA THR 17 HA THR 17 -5.298 -0.644 3.025 96 HB THR 17 HB THR 17 -6.851 -2.520 4.849 97 HG1 THR 17 HG1 THR 17 -7.966 -0.440 4.280 98 1HG2 THR 17 2HG2 THR 17 -4.431 -2.093 5.365 99 2HG2 THR 17 3HG2 THR 17 -4.768 -0.350 5.411 100 3HG2 THR 17 1HG2 THR 17 -5.515 -1.433 6.600 101 H VAL 18 H VAL 18 -5.041 -2.052 0.801 102 HA VAL 18 HA VAL 18 -3.775 -4.551 1.292 103 HB VAL 18 HB VAL 18 -6.019 -5.334 1.927 104 1HG1 VAL 18 2HG1 VAL 18 -7.425 -3.812 0.595 105 2HG1 VAL 18 3HG1 VAL 18 -6.910 -4.633 -0.896 106 3HG1 VAL 18 1HG1 VAL 18 -7.863 -5.502 0.325 107 1HG2 VAL 18 3HG2 VAL 18 -4.450 -6.926 0.805 108 2HG2 VAL 18 1HG2 VAL 18 -6.163 -7.333 0.684 109 3HG2 VAL 18 2HG2 VAL 18 -5.342 -6.638 -0.711 110 H CYS 19 H CYS 19 -3.162 -5.726 -0.588 111 HA CYS 19 HA CYS 19 -2.814 -4.049 -3.033 112 1HB CYS 19 2HB CYS 19 -0.851 -4.726 -1.764 113 2HB CYS 19 1HB CYS 19 -1.278 -6.433 -1.894 114 H ALA 20 H ALA 20 -2.507 -5.473 -5.118 115 HA ALA 20 HA ALA 20 -4.770 -7.031 -5.766 116 1HB ALA 20 3HB ALA 20 -2.102 -6.729 -7.160 117 2HB ALA 20 1HB ALA 20 -3.493 -7.617 -7.825 118 3HB ALA 20 2HB ALA 20 -3.618 -5.886 -7.491 119 H SER 21 H SER 21 -1.433 -8.370 -5.691 120 HA SER 21 HA SER 21 -1.648 -10.501 -3.988 121 1HB SER 21 1HB SER 21 -3.536 -11.393 -5.507 122 2HB SER 21 2HB SER 21 -2.336 -11.462 -6.799 123 HG SER 21 HG SER 21 -2.362 -12.840 -4.276 124 H GLY 22 H GLY 22 -0.193 -12.493 -4.806 125 1HA GLY 22 1HA GLY 22 2.022 -13.109 -4.847 126 2HA GLY 22 2HA GLY 22 2.304 -11.936 -6.130 127 H THR 23 H THR 23 2.679 -9.671 -5.436 128 HA THR 23 HA THR 23 4.522 -9.308 -3.302 129 HB THR 23 HB THR 23 2.904 -7.244 -4.836 130 HG1 THR 23 HG1 THR 23 5.285 -7.238 -5.733 131 1HG2 THR 23 2HG2 THR 23 4.153 -6.375 -2.718 132 2HG2 THR 23 3HG2 THR 23 5.632 -6.872 -3.531 133 3HG2 THR 23 1HG2 THR 23 4.519 -5.673 -4.250 134 H THR 24 H THR 24 4.336 -8.277 -1.283 135 HA THR 24 HA THR 24 1.644 -7.765 -0.117 136 HB THR 24 HB THR 24 2.671 -7.883 2.053 137 HG1 THR 24 HG1 THR 24 4.969 -8.454 2.090 138 1HG2 THR 24 2HG2 THR 24 2.124 -10.065 0.909 139 2HG2 THR 24 3HG2 THR 24 3.809 -10.163 0.370 140 3HG2 THR 24 1HG2 THR 24 3.435 -10.197 2.100 141 H CYS 25 H CYS 25 1.358 -5.904 1.307 142 HA CYS 25 HA CYS 25 2.050 -3.456 -0.041 143 1HB CYS 25 1HB CYS 25 -0.145 -4.067 0.957 144 2HB CYS 25 2HB CYS 25 0.558 -3.955 2.572 145 H GLN 26 H GLN 26 4.048 -2.411 0.170 146 HA GLN 26 HA GLN 26 5.593 -2.833 2.677 147 1HB GLN 26 1HB GLN 26 7.276 -3.575 1.471 148 2HB GLN 26 2HB GLN 26 6.186 -3.621 0.099 149 1HG GLN 26 2HG GLN 26 8.041 -2.516 -0.741 150 2HG GLN 26 1HG GLN 26 6.919 -1.228 -0.460 151 1HE2 GLN 26 1HE2 GLN 26 10.040 -1.447 2.199 152 2HE2 GLN 26 2HE2 GLN 26 9.273 -2.979 1.723 153 H VAL 27 H VAL 27 7.019 -1.199 3.501 154 HA VAL 27 HA VAL 27 5.654 1.433 3.371 155 HB VAL 27 HB VAL 27 5.466 0.345 5.421 156 1HG1 VAL 27 1HG2 VAL 27 8.501 0.168 5.644 157 2HG1 VAL 27 2HG2 VAL 27 7.346 -0.144 6.936 158 3HG1 VAL 27 3HG2 VAL 27 7.349 -1.169 5.505 159 1HG2 VAL 27 2HG1 VAL 27 5.723 2.809 5.409 160 2HG2 VAL 27 3HG1 VAL 27 6.252 2.070 6.932 161 3HG2 VAL 27 1HG1 VAL 27 7.458 2.621 5.758 162 H LEU 28 H LEU 28 6.593 2.845 1.960 163 HA LEU 28 HA LEU 28 9.462 3.414 1.800 164 1HB LEU 28 1HB LEU 28 6.956 4.901 0.885 165 2HB LEU 28 2HB LEU 28 8.564 5.606 0.782 166 HG LEU 28 HG LEU 28 9.353 3.738 -0.625 167 1HD1 LEU 28 1HD2 LEU 28 6.418 2.899 -0.584 168 2HD1 LEU 28 2HD2 LEU 28 7.634 2.293 -1.738 169 3HD1 LEU 28 3HD2 LEU 28 7.804 1.954 -0.023 170 1HD2 LEU 28 2HD1 LEU 28 8.540 5.878 -1.591 171 2HD2 LEU 28 3HD1 LEU 28 8.191 4.508 -2.658 172 3HD2 LEU 28 1HD1 LEU 28 6.893 5.216 -1.673 173 H ASN 29 H ASN 29 6.772 5.323 3.089 174 HA ASN 29 HA ASN 29 8.251 5.933 5.580 175 1HB ASN 29 1HB ASN 29 6.836 8.014 3.826 176 2HB ASN 29 2HB ASN 29 7.195 8.268 5.529 177 1HD2 ASN 29 1HD2 ASN 29 10.355 8.329 2.966 178 2HD2 ASN 29 2HD2 ASN 29 8.894 7.504 2.415 179 HA PRO 30 HA PRO 30 4.956 4.034 7.489 180 1HB PRO 30 2HB PRO 30 4.200 5.860 9.573 181 2HB PRO 30 1HB PRO 30 5.373 4.531 9.630 182 1HG PRO 30 1HG PRO 30 5.860 7.455 9.114 183 2HG PRO 30 2HG PRO 30 6.876 6.308 10.022 184 1HD PRO 30 2HD PRO 30 7.553 7.057 7.533 185 2HD PRO 30 1HD PRO 30 7.736 5.348 8.008 186 H TYR 31 H TYR 31 4.002 7.440 6.966 187 HA TYR 31 HA TYR 31 1.217 6.949 7.009 188 1HB TYR 31 1HB TYR 31 2.800 9.258 5.875 189 2HB TYR 31 2HB TYR 31 1.044 9.203 5.940 190 HD1 TYR 31 HD1 TYR 31 4.120 9.417 8.057 191 HD2 TYR 31 HD2 TYR 31 -0.193 9.500 8.028 192 HE1 TYR 31 HE1 TYR 31 4.080 9.697 10.542 193 HE2 TYR 31 HE2 TYR 31 -0.218 9.538 10.505 194 HH TYR 31 HH TYR 31 1.027 9.599 12.372 195 H TYR 32 H TYR 32 3.369 6.487 4.249 196 HA TYR 32 HA TYR 32 1.035 5.680 2.548 197 1HB TYR 32 2HB TYR 32 1.135 7.768 1.766 198 2HB TYR 32 1HB TYR 32 2.847 7.954 2.067 199 HD1 TYR 32 HD1 TYR 32 1.663 5.094 -0.096 200 HD2 TYR 32 HD2 TYR 32 3.147 9.153 0.026 201 HE1 TYR 32 HE1 TYR 32 2.294 4.942 -2.487 202 HE2 TYR 32 HE2 TYR 32 3.975 8.903 -2.295 203 HH TYR 32 HH TYR 32 4.305 7.452 -4.000 204 H SER 33 H SER 33 1.482 3.609 2.966 205 HA SER 33 HA SER 33 3.843 2.238 1.955 206 1HB SER 33 1HB SER 33 2.652 1.288 3.836 207 2HB SER 33 2HB SER 33 1.140 1.258 2.923 208 HG SER 33 HG SER 33 3.462 -0.164 2.103 209 H GLN 34 H GLN 34 4.072 0.994 0.182 210 HA GLN 34 HA GLN 34 2.262 1.250 -2.170 211 1HB GLN 34 1HB GLN 34 4.174 2.972 -1.906 212 2HB GLN 34 2HB GLN 34 5.283 1.612 -2.097 213 1HG GLN 34 1HG GLN 34 4.359 1.253 -4.394 214 2HG GLN 34 2HG GLN 34 3.286 2.630 -4.167 215 1HE2 GLN 34 2HE2 GLN 34 5.935 4.923 -4.863 216 2HE2 GLN 34 1HE2 GLN 34 4.237 4.868 -4.376 217 H CYS 35 H CYS 35 2.279 -0.622 -3.582 218 HA CYS 35 HA CYS 35 3.523 -3.067 -2.380 219 1HB CYS 35 1HB CYS 35 1.031 -2.817 -2.705 220 2HB CYS 35 2HB CYS 35 1.327 -2.998 -4.432 221 H LEU 36 H LEU 36 5.512 -3.477 -3.180 222 HA LEU 36 HA LEU 36 6.151 -3.266 -6.102 223 1HB LEU 36 1HB LEU 36 7.680 -2.705 -3.563 224 2HB LEU 36 2HB LEU 36 8.557 -3.239 -4.987 225 HG LEU 36 HG LEU 36 7.891 -1.380 -6.298 226 1HD1 LEU 36 3HD1 LEU 36 6.069 -0.568 -3.986 227 2HD1 LEU 36 1HD1 LEU 36 6.523 0.486 -5.343 228 3HD1 LEU 36 2HD1 LEU 36 5.594 -0.966 -5.657 229 1HD2 LEU 36 3HD2 LEU 36 9.780 -1.077 -4.718 230 2HD2 LEU 36 1HD2 LEU 36 8.922 0.452 -4.978 231 3HD2 LEU 36 2HD2 LEU 36 8.659 -0.466 -3.484 No H/Q in entry = 231 Start of MODEL 7 1 1H THR 1 3H THR 1 -3.028 -12.311 -11.264 2 2H THR 1 1H THR 1 -4.085 -13.171 -10.326 3 3H THR 1 2H THR 1 -4.673 -12.232 -11.543 4 HA THR 1 HA THR 1 -4.193 -10.276 -10.342 5 HB THR 1 HB THR 1 -5.079 -10.978 -7.902 6 HG1 THR 1 HG1 THR 1 -6.199 -12.994 -8.113 7 1HG2 THR 1 3HG2 THR 1 -6.824 -11.339 -10.385 8 2HG2 THR 1 1HG2 THR 1 -7.376 -11.059 -8.725 9 3HG2 THR 1 2HG2 THR 1 -6.486 -9.792 -9.573 10 H GLN 2 H GLN 2 -2.488 -9.218 -9.617 11 HA GLN 2 HA GLN 2 -0.491 -10.375 -7.753 12 1HB GLN 2 1HB GLN 2 -0.116 -9.527 -10.669 13 2HB GLN 2 2HB GLN 2 1.161 -9.298 -9.505 14 1HG GLN 2 1HG GLN 2 1.620 -11.361 -10.520 15 2HG GLN 2 2HG GLN 2 1.102 -11.681 -8.866 16 1HE2 GLN 2 2HE2 GLN 2 -0.628 -14.321 -10.555 17 2HE2 GLN 2 1HE2 GLN 2 0.754 -13.917 -9.549 18 H SER 3 H SER 3 1.129 -8.634 -7.132 19 HA SER 3 HA SER 3 0.022 -6.224 -6.218 20 1HB SER 3 1HB SER 3 2.925 -6.930 -6.728 21 2HB SER 3 2HB SER 3 2.312 -5.616 -5.724 22 HG SER 3 HG SER 3 2.541 -7.272 -4.326 23 H HIS 4 H HIS 4 -1.100 -5.273 -7.939 24 HA HIS 4 HA HIS 4 0.506 -4.095 -10.193 25 1HB HIS 4 1HB HIS 4 -1.171 -5.890 -10.662 26 2HB HIS 4 2HB HIS 4 -2.431 -4.802 -10.055 27 HD2 HIS 4 HD2 HIS 4 0.473 -4.238 -12.704 28 HE1 HIS 4 HE1 HIS 4 -3.161 -2.663 -14.213 29 HE2 HIS 4 HE2 HIS 4 -0.670 -2.923 -14.683 30 H ALA 5 H ALA 5 -1.533 -3.017 -7.607 31 HA ALA 5 HA ALA 5 -2.009 -0.344 -8.846 32 1HB ALA 5 2HB ALA 5 -3.964 -1.564 -7.938 33 2HB ALA 5 3HB ALA 5 -3.202 -1.564 -6.327 34 3HB ALA 5 1HB ALA 5 -3.680 -0.039 -7.088 35 H GLY 6 H GLY 6 -1.879 1.543 -7.235 36 1HA GLY 6 1HA GLY 6 0.905 1.688 -6.378 37 2HA GLY 6 2HA GLY 6 -0.254 2.995 -6.430 38 H GLN 7 H GLN 7 -1.085 3.730 -4.488 39 HA GLN 7 HA GLN 7 0.283 2.859 -2.106 40 1HB GLN 7 1HB GLN 7 -0.122 5.229 -2.766 41 2HB GLN 7 2HB GLN 7 -1.822 5.028 -2.301 42 1HG GLN 7 2HG GLN 7 -0.991 4.296 0.002 43 2HG GLN 7 1HG GLN 7 0.654 4.673 -0.545 44 1HE2 GLN 7 2HE2 GLN 7 -0.551 7.563 1.388 45 2HE2 GLN 7 1HE2 GLN 7 -0.284 5.863 1.781 46 H CYS 8 H CYS 8 -0.351 1.056 -1.071 47 HA CYS 8 HA CYS 8 -2.973 -0.113 -1.276 48 1HB CYS 8 1HB CYS 8 -2.056 -1.866 0.237 49 2HB CYS 8 2HB CYS 8 -1.078 -1.525 -1.181 50 H GLY 9 H GLY 9 -1.491 1.638 1.429 51 1HA GLY 9 1HA GLY 9 -3.787 2.727 2.510 52 2HA GLY 9 2HA GLY 9 -3.759 1.134 3.259 53 H GLY 10 H GLY 10 -1.638 3.966 2.774 54 1HA GLY 10 1HA GLY 10 0.091 3.465 5.066 55 2HA GLY 10 2HA GLY 10 -0.005 4.954 4.122 56 H ILE 11 H ILE 11 0.464 5.639 6.495 57 HA ILE 11 HA ILE 11 -1.724 5.775 8.397 58 HB ILE 11 HB ILE 11 0.769 7.503 8.143 59 1HG1 ILE 11 2HG1 ILE 11 0.177 4.974 9.753 60 2HG1 ILE 11 1HG1 ILE 11 1.356 5.158 8.449 61 1HG2 ILE 11 2HG2 ILE 11 -0.994 8.639 9.452 62 2HG2 ILE 11 3HG2 ILE 11 -1.187 7.198 10.468 63 3HG2 ILE 11 1HG2 ILE 11 0.316 8.143 10.494 64 1HD1 ILE 11 2HD1 ILE 11 2.630 6.793 9.870 65 2HD1 ILE 11 3HD1 ILE 11 1.509 6.426 11.205 66 3HD1 ILE 11 1HD1 ILE 11 2.537 5.155 10.539 67 H GLY 12 H GLY 12 -3.456 7.157 8.412 68 1HA GLY 12 2HA GLY 12 -4.686 9.146 7.996 69 2HA GLY 12 1HA GLY 12 -3.403 9.764 6.964 70 H TYR 13 H TYR 13 -3.052 7.882 5.025 71 HA TYR 13 HA TYR 13 -5.547 7.705 3.491 72 1HB TYR 13 1HB TYR 13 -2.928 7.934 2.790 73 2HB TYR 13 2HB TYR 13 -3.094 6.208 2.610 74 HD1 TYR 13 HD2 TYR 13 -5.981 6.080 1.493 75 HD2 TYR 13 HD1 TYR 13 -2.696 8.772 0.624 76 HE1 TYR 13 HE2 TYR 13 -6.944 6.557 -0.723 77 HE2 TYR 13 HE1 TYR 13 -3.700 9.239 -1.599 78 HH TYR 13 HH TYR 13 -6.694 7.644 -2.675 79 H SER 14 H SER 14 -5.726 6.350 5.977 80 HA SER 14 HA SER 14 -5.136 3.521 5.709 81 1HB SER 14 1HB SER 14 -6.542 5.048 7.947 82 2HB SER 14 2HB SER 14 -5.753 3.467 8.064 83 HG SER 14 HG SER 14 -3.821 4.797 7.237 84 H GLY 15 H GLY 15 -6.825 3.642 3.732 85 1HA GLY 15 1HA GLY 15 -9.363 2.351 4.579 86 2HA GLY 15 2HA GLY 15 -9.504 3.999 3.939 87 HA PRO 16 HA PRO 16 -10.303 0.925 0.560 88 1HB PRO 16 2HB PRO 16 -12.063 3.283 -0.186 89 2HB PRO 16 1HB PRO 16 -12.382 1.542 -0.409 90 1HG PRO 16 2HG PRO 16 -13.464 2.772 1.721 91 2HG PRO 16 1HG PRO 16 -12.565 1.250 2.008 92 1HD PRO 16 1HD PRO 16 -11.514 4.098 2.298 93 2HD PRO 16 2HD PRO 16 -11.482 2.760 3.483 94 H THR 17 H THR 17 -7.920 1.668 0.169 95 HA THR 17 HA THR 17 -7.859 2.300 -2.758 96 HB THR 17 HB THR 17 -6.941 4.289 -1.777 97 HG1 THR 17 HG1 THR 17 -4.700 2.775 -2.483 98 1HG2 THR 17 3HG2 THR 17 -5.005 2.465 -0.258 99 2HG2 THR 17 1HG2 THR 17 -4.891 4.222 -0.348 100 3HG2 THR 17 2HG2 THR 17 -6.271 3.460 0.468 101 H VAL 18 H VAL 18 -8.326 -0.126 -1.797 102 HA VAL 18 HA VAL 18 -6.023 -1.580 -0.966 103 HB VAL 18 HB VAL 18 -8.258 -1.999 -0.157 104 1HG1 VAL 18 2HG1 VAL 18 -9.589 -1.732 -2.249 105 2HG1 VAL 18 3HG1 VAL 18 -8.938 -3.267 -2.853 106 3HG1 VAL 18 1HG1 VAL 18 -9.946 -3.243 -1.402 107 1HG2 VAL 18 3HG2 VAL 18 -6.512 -3.722 0.036 108 2HG2 VAL 18 1HG2 VAL 18 -8.138 -4.419 -0.059 109 3HG2 VAL 18 2HG2 VAL 18 -7.071 -4.475 -1.471 110 H CYS 19 H CYS 19 -4.536 -2.739 -2.012 111 HA CYS 19 HA CYS 19 -4.430 -2.904 -4.890 112 1HB CYS 19 2HB CYS 19 -2.479 -2.638 -3.314 113 2HB CYS 19 1HB CYS 19 -2.708 -4.322 -2.824 114 H ALA 20 H ALA 20 -4.351 -4.808 -6.206 115 HA ALA 20 HA ALA 20 -6.131 -6.993 -5.616 116 1HB ALA 20 2HB ALA 20 -5.648 -6.247 -7.905 117 2HB ALA 20 3HB ALA 20 -3.945 -6.704 -7.716 118 3HB ALA 20 1HB ALA 20 -5.207 -7.953 -7.709 119 H SER 21 H SER 21 -5.612 -9.233 -5.303 120 HA SER 21 HA SER 21 -3.861 -9.844 -3.243 121 1HB SER 21 1HB SER 21 -5.721 -11.295 -3.936 122 2HB SER 21 2HB SER 21 -4.785 -11.817 -5.365 123 HG SER 21 HG SER 21 -4.570 -13.225 -3.450 124 H GLY 22 H GLY 22 -1.970 -10.985 -3.004 125 1HA GLY 22 2HA GLY 22 0.416 -11.336 -4.129 126 2HA GLY 22 1HA GLY 22 0.093 -9.691 -4.717 127 H THR 23 H THR 23 -1.182 -8.482 -2.752 128 HA THR 23 HA THR 23 -1.309 -7.652 -0.638 129 HB THR 23 HB THR 23 -0.187 -10.295 0.342 130 HG1 THR 23 HG1 THR 23 -2.279 -11.132 -0.013 131 1HG2 THR 23 3HG2 THR 23 -2.577 -8.615 1.262 132 2HG2 THR 23 1HG2 THR 23 -2.054 -10.156 1.972 133 3HG2 THR 23 2HG2 THR 23 -1.027 -8.735 2.119 134 H THR 24 H THR 24 1.585 -7.718 -1.930 135 HA THR 24 HA THR 24 3.540 -7.582 0.171 136 HB THR 24 HB THR 24 5.004 -6.766 -1.657 137 HG1 THR 24 HG1 THR 24 4.060 -6.427 -3.679 138 1HG2 THR 24 3HG2 THR 24 4.443 -9.218 -1.463 139 2HG2 THR 24 1HG2 THR 24 3.217 -8.983 -2.723 140 3HG2 THR 24 2HG2 THR 24 4.925 -8.685 -3.081 141 H CYS 25 H CYS 25 1.640 -5.913 1.135 142 HA CYS 25 HA CYS 25 1.822 -3.186 0.332 143 1HB CYS 25 1HB CYS 25 -0.155 -4.293 1.269 144 2HB CYS 25 2HB CYS 25 0.657 -4.456 2.828 145 H GLN 26 H GLN 26 4.012 -2.786 0.323 146 HA GLN 26 HA GLN 26 5.717 -2.794 2.692 147 1HB GLN 26 1HB GLN 26 6.013 -2.959 -0.176 148 2HB GLN 26 2HB GLN 26 6.825 -1.494 0.272 149 1HG GLN 26 2HG GLN 26 8.331 -3.456 0.266 150 2HG GLN 26 1HG GLN 26 8.246 -2.749 1.879 151 1HE2 GLN 26 2HE2 GLN 26 6.165 -6.255 1.453 152 2HE2 GLN 26 1HE2 GLN 26 5.871 -4.987 0.249 153 H VAL 27 H VAL 27 7.393 -0.741 2.503 154 HA VAL 27 HA VAL 27 5.928 1.831 2.659 155 HB VAL 27 HB VAL 27 5.758 1.025 4.889 156 1HG1 VAL 27 3HG2 VAL 27 7.562 -0.667 4.937 157 2HG1 VAL 27 1HG2 VAL 27 8.789 0.612 4.961 158 3HG1 VAL 27 2HG2 VAL 27 7.657 0.428 6.313 159 1HG2 VAL 27 2HG1 VAL 27 6.367 3.458 4.522 160 2HG2 VAL 27 3HG1 VAL 27 6.762 2.816 6.121 161 3HG2 VAL 27 1HG1 VAL 27 8.046 3.035 4.914 162 H LEU 28 H LEU 28 7.023 3.527 1.880 163 HA LEU 28 HA LEU 28 9.945 3.296 1.223 164 1HB LEU 28 1HB LEU 28 7.771 5.180 0.240 165 2HB LEU 28 2HB LEU 28 9.489 5.492 0.027 166 HG LEU 28 HG LEU 28 9.814 3.417 -1.202 167 1HD1 LEU 28 2HD1 LEU 28 6.793 3.022 -0.918 168 2HD1 LEU 28 3HD1 LEU 28 7.817 2.165 -2.085 169 3HD1 LEU 28 1HD1 LEU 28 8.075 1.923 -0.363 170 1HD2 LEU 28 2HD2 LEU 28 9.270 5.533 -2.374 171 2HD2 LEU 28 3HD2 LEU 28 8.656 4.124 -3.256 172 3HD2 LEU 28 1HD2 LEU 28 7.540 5.129 -2.306 173 H ASN 29 H ASN 29 7.850 5.909 2.484 174 HA ASN 29 HA ASN 29 9.856 6.455 4.637 175 1HB ASN 29 1HB ASN 29 7.919 8.436 3.404 176 2HB ASN 29 2HB ASN 29 9.078 8.769 4.692 177 1HD2 ASN 29 1HD2 ASN 29 11.882 8.512 2.326 178 2HD2 ASN 29 2HD2 ASN 29 11.518 7.827 3.904 179 HA PRO 30 HA PRO 30 7.176 4.645 7.542 180 1HB PRO 30 2HB PRO 30 7.522 7.222 9.105 181 2HB PRO 30 1HB PRO 30 7.455 5.547 9.727 182 1HG PRO 30 1HG PRO 30 9.866 6.686 9.238 183 2HG PRO 30 2HG PRO 30 9.559 5.006 8.722 184 1HD PRO 30 2HD PRO 30 9.642 7.494 7.031 185 2HD PRO 30 1HD PRO 30 10.143 5.815 6.662 186 H TYR 31 H TYR 31 6.016 7.963 6.819 187 HA TYR 31 HA TYR 31 3.338 7.690 7.751 188 1HB TYR 31 2HB TYR 31 4.581 9.792 7.081 189 2HB TYR 31 1HB TYR 31 4.385 9.325 5.405 190 HD1 TYR 31 HD2 TYR 31 2.594 10.385 8.502 191 HD2 TYR 31 HD1 TYR 31 2.277 9.746 4.236 192 HE1 TYR 31 HE2 TYR 31 0.367 11.498 8.489 193 HE2 TYR 31 HE1 TYR 31 0.054 10.891 4.249 194 HH TYR 31 HH TYR 31 -1.490 11.910 7.282 195 H TYR 32 H TYR 32 4.815 6.577 4.792 196 HA TYR 32 HA TYR 32 2.335 6.335 3.213 197 1HB TYR 32 2HB TYR 32 4.375 7.511 2.431 198 2HB TYR 32 1HB TYR 32 5.306 6.031 2.555 199 HD1 TYR 32 HD1 TYR 32 2.347 7.560 0.851 200 HD2 TYR 32 HD2 TYR 32 5.499 4.626 0.654 201 HE1 TYR 32 HE1 TYR 32 1.872 7.191 -1.598 202 HE2 TYR 32 HE2 TYR 32 5.140 4.439 -1.830 203 HH TYR 32 HH TYR 32 3.849 5.149 -3.635 204 H SER 33 H SER 33 2.017 4.387 1.785 205 HA SER 33 HA SER 33 3.526 2.042 2.357 206 1HB SER 33 1HB SER 33 1.987 1.863 4.283 207 2HB SER 33 2HB SER 33 0.597 1.887 3.177 208 HG SER 33 HG SER 33 2.670 -0.076 3.191 209 H GLN 34 H GLN 34 3.683 0.717 0.603 210 HA GLN 34 HA GLN 34 1.820 1.146 -1.708 211 1HB GLN 34 1HB GLN 34 3.732 2.669 -1.870 212 2HB GLN 34 2HB GLN 34 4.850 1.293 -1.918 213 1HG GLN 34 1HG GLN 34 3.801 0.484 -4.007 214 2HG GLN 34 2HG GLN 34 2.584 1.758 -3.927 215 1HE2 GLN 34 2HE2 GLN 34 5.511 2.631 -6.215 216 2HE2 GLN 34 1HE2 GLN 34 4.899 1.001 -5.909 217 H CYS 35 H CYS 35 1.595 -0.446 -3.202 218 HA CYS 35 HA CYS 35 2.354 -3.213 -2.424 219 1HB CYS 35 1HB CYS 35 0.014 -2.425 -2.888 220 2HB CYS 35 2HB CYS 35 0.485 -2.130 -4.555 221 H LEU 36 H LEU 36 4.010 -4.307 -3.489 222 HA LEU 36 HA LEU 36 4.996 -3.355 -6.163 223 1HB LEU 36 1HB LEU 36 6.655 -4.207 -3.756 224 2HB LEU 36 2HB LEU 36 7.262 -3.991 -5.383 225 HG LEU 36 HG LEU 36 7.928 -2.108 -4.234 226 1HD1 LEU 36 2HD1 LEU 36 7.011 -1.585 -6.491 227 2HD1 LEU 36 3HD1 LEU 36 5.470 -1.136 -5.740 228 3HD1 LEU 36 1HD1 LEU 36 6.930 -0.215 -5.363 229 1HD2 LEU 36 1HD2 LEU 36 6.380 -2.272 -2.295 230 2HD2 LEU 36 2HD2 LEU 36 6.621 -0.619 -2.893 231 3HD2 LEU 36 3HD2 LEU 36 5.128 -1.477 -3.262 No H/Q in entry = 231 Start of MODEL 8 1 1H THR 1 1H THR 1 0.808 -7.314 -10.603 2 2H THR 1 2H THR 1 0.149 -7.732 -9.197 3 3H THR 1 3H THR 1 0.168 -8.838 -10.410 4 HA THR 1 HA THR 1 -1.335 -7.420 -11.736 5 HB THR 1 HB THR 1 -2.389 -9.132 -10.417 6 HG1 THR 1 HG1 THR 1 -4.354 -7.880 -9.799 7 1HG2 THR 1 3HG2 THR 1 -2.347 -7.183 -8.060 8 2HG2 THR 1 1HG2 THR 1 -3.212 -8.734 -8.120 9 3HG2 THR 1 2HG2 THR 1 -1.458 -8.710 -8.174 10 H GLN 2 H GLN 2 -3.318 -5.719 -9.909 11 HA GLN 2 HA GLN 2 -1.882 -3.208 -9.445 12 1HB GLN 2 1HB GLN 2 -4.433 -4.390 -8.280 13 2HB GLN 2 2HB GLN 2 -3.663 -2.959 -7.596 14 1HG GLN 2 1HG GLN 2 -5.406 -2.284 -9.133 15 2HG GLN 2 2HG GLN 2 -3.803 -1.722 -9.637 16 1HE2 GLN 2 2HE2 GLN 2 -4.772 -2.873 -12.844 17 2HE2 GLN 2 1HE2 GLN 2 -4.410 -1.459 -11.854 18 H SER 3 H SER 3 0.090 -4.138 -8.861 19 HA SER 3 HA SER 3 0.426 -4.941 -5.983 20 1HB SER 3 1HB SER 3 2.146 -5.894 -8.311 21 2HB SER 3 2HB SER 3 2.245 -6.379 -6.609 22 HG SER 3 HG SER 3 0.245 -7.413 -6.846 23 H HIS 4 H HIS 4 2.813 -4.032 -8.585 24 HA HIS 4 HA HIS 4 4.218 -2.079 -7.175 25 1HB HIS 4 1HB HIS 4 3.678 -1.964 -10.160 26 2HB HIS 4 2HB HIS 4 5.067 -1.349 -9.269 27 HD2 HIS 4 HD2 HIS 4 7.164 -3.101 -9.142 28 HE1 HIS 4 HE1 HIS 4 5.101 -6.480 -10.644 29 HE2 HIS 4 HE2 HIS 4 7.389 -5.582 -9.993 30 H ALA 5 H ALA 5 1.727 -1.327 -9.652 31 HA ALA 5 HA ALA 5 1.163 1.334 -8.473 32 1HB ALA 5 2HB ALA 5 1.379 1.072 -10.905 33 2HB ALA 5 3HB ALA 5 0.012 -0.062 -10.916 34 3HB ALA 5 1HB ALA 5 -0.236 1.633 -10.451 35 H GLY 6 H GLY 6 0.587 -0.059 -6.446 36 1HA GLY 6 1HA GLY 6 -2.333 0.163 -6.109 37 2HA GLY 6 2HA GLY 6 -1.683 -1.469 -5.898 38 H GLN 7 H GLN 7 -2.809 0.850 -4.017 39 HA GLN 7 HA GLN 7 -0.653 0.925 -1.970 40 1HB GLN 7 1HB GLN 7 -1.924 2.988 -2.520 41 2HB GLN 7 2HB GLN 7 -3.409 2.206 -1.969 42 1HG GLN 7 2HG GLN 7 -2.452 1.959 0.307 43 2HG GLN 7 1HG GLN 7 -0.911 2.609 -0.271 44 1HE2 GLN 7 2HE2 GLN 7 -2.436 5.425 1.414 45 2HE2 GLN 7 1HE2 GLN 7 -1.539 3.952 1.813 46 H CYS 8 H CYS 8 -0.808 -0.179 0.044 47 HA CYS 8 HA CYS 8 -2.992 -2.241 0.260 48 1HB CYS 8 1HB CYS 8 -1.703 -3.294 1.950 49 2HB CYS 8 2HB CYS 8 -0.755 -3.073 0.488 50 H GLY 9 H GLY 9 -1.503 0.213 2.350 51 1HA GLY 9 1HA GLY 9 -3.702 1.521 3.403 52 2HA GLY 9 2HA GLY 9 -3.588 0.069 4.404 53 H GLY 10 H GLY 10 -2.378 3.228 3.963 54 1HA GLY 10 1HA GLY 10 0.268 2.719 5.213 55 2HA GLY 10 2HA GLY 10 -0.279 4.198 4.412 56 H ILE 11 H ILE 11 1.110 4.702 6.570 57 HA ILE 11 HA ILE 11 -0.237 4.957 9.068 58 HB ILE 11 HB ILE 11 1.894 6.753 7.883 59 1HG1 ILE 11 2HG1 ILE 11 2.069 4.378 9.804 60 2HG1 ILE 11 1HG1 ILE 11 2.615 4.411 8.124 61 1HG2 ILE 11 2HG2 ILE 11 0.600 7.875 9.762 62 2HG2 ILE 11 3HG2 ILE 11 1.025 6.511 10.803 63 3HG2 ILE 11 1HG2 ILE 11 2.269 7.592 10.148 64 1HD1 ILE 11 2HD1 ILE 11 4.189 6.305 8.754 65 2HD1 ILE 11 3HD1 ILE 11 3.774 5.992 10.454 66 3HD1 ILE 11 1HD1 ILE 11 4.564 4.737 9.494 67 H GLY 12 H GLY 12 -2.388 5.485 8.640 68 1HA GLY 12 1HA GLY 12 -3.812 7.497 9.228 69 2HA GLY 12 2HA GLY 12 -2.988 8.369 7.962 70 H TYR 13 H TYR 13 -3.138 5.688 6.303 71 HA TYR 13 HA TYR 13 -5.628 6.639 4.943 72 1HB TYR 13 1HB TYR 13 -3.222 7.007 4.065 73 2HB TYR 13 2HB TYR 13 -3.277 5.330 3.565 74 HD1 TYR 13 HD2 TYR 13 -6.291 5.301 2.602 75 HD2 TYR 13 HD1 TYR 13 -3.019 8.083 1.992 76 HE1 TYR 13 HE2 TYR 13 -7.422 6.219 0.610 77 HE2 TYR 13 HE1 TYR 13 -4.156 8.933 -0.050 78 HH TYR 13 HH TYR 13 -7.259 7.615 -1.169 79 H SER 14 H SER 14 -6.672 5.093 6.463 80 HA SER 14 HA SER 14 -6.478 2.221 5.915 81 1HB SER 14 2HB SER 14 -6.833 3.008 8.195 82 2HB SER 14 1HB SER 14 -8.383 3.738 7.748 83 HG SER 14 HG SER 14 -8.240 1.123 6.953 84 H GLY 15 H GLY 15 -8.719 4.736 4.802 85 1HA GLY 15 1HA GLY 15 -10.903 2.997 4.213 86 2HA GLY 15 2HA GLY 15 -10.676 4.626 3.560 87 HA PRO 16 HA PRO 16 -10.879 1.248 0.235 88 1HB PRO 16 1HB PRO 16 -12.455 3.559 -0.930 89 2HB PRO 16 2HB PRO 16 -12.689 1.809 -1.182 90 1HG PRO 16 2HG PRO 16 -14.220 3.072 0.641 91 2HG PRO 16 1HG PRO 16 -13.438 1.536 1.105 92 1HD PRO 16 1HD PRO 16 -12.511 4.366 1.710 93 2HD PRO 16 2HD PRO 16 -12.662 2.973 2.809 94 H THR 17 H THR 17 -8.496 1.793 0.220 95 HA THR 17 HA THR 17 -7.772 2.792 -2.527 96 HB THR 17 HB THR 17 -7.050 4.280 -0.635 97 HG1 THR 17 HG1 THR 17 -4.813 4.320 -1.459 98 1HG2 THR 17 3HG2 THR 17 -6.405 2.509 1.027 99 2HG2 THR 17 1HG2 THR 17 -5.042 2.054 -0.012 100 3HG2 THR 17 2HG2 THR 17 -5.115 3.668 0.716 101 H VAL 18 H VAL 18 -8.236 0.010 -1.053 102 HA VAL 18 HA VAL 18 -5.704 -1.171 -0.835 103 HB VAL 18 HB VAL 18 -7.604 -1.752 0.532 104 1HG1 VAL 18 3HG2 VAL 18 -9.408 -1.839 -1.182 105 2HG1 VAL 18 1HG2 VAL 18 -8.685 -3.316 -1.854 106 3HG1 VAL 18 2HG2 VAL 18 -9.341 -3.315 -0.209 107 1HG2 VAL 18 2HG1 VAL 18 -5.642 -3.270 0.365 108 2HG2 VAL 18 3HG1 VAL 18 -7.142 -4.119 0.754 109 3HG2 VAL 18 1HG1 VAL 18 -6.488 -4.201 -0.889 110 H CYS 19 H CYS 19 -4.455 -2.387 -2.024 111 HA CYS 19 HA CYS 19 -4.652 -2.832 -4.782 112 1HB CYS 19 1HB CYS 19 -2.609 -4.175 -4.443 113 2HB CYS 19 2HB CYS 19 -2.572 -2.685 -3.527 114 H ALA 20 H ALA 20 -4.057 -5.055 -5.741 115 HA ALA 20 HA ALA 20 -6.219 -7.054 -5.143 116 1HB ALA 20 2HB ALA 20 -6.266 -6.139 -7.408 117 2HB ALA 20 3HB ALA 20 -4.578 -6.627 -7.668 118 3HB ALA 20 1HB ALA 20 -5.842 -7.851 -7.448 119 H SER 21 H SER 21 -5.320 -9.334 -6.053 120 HA SER 21 HA SER 21 -4.033 -10.693 -4.175 121 1HB SER 21 1HB SER 21 -5.006 -11.706 -6.181 122 2HB SER 21 2HB SER 21 -3.596 -11.220 -7.137 123 HG SER 21 HG SER 21 -2.317 -12.566 -5.742 124 H GLY 22 H GLY 22 -2.260 -10.195 -3.027 125 1HA GLY 22 2HA GLY 22 0.434 -10.452 -4.119 126 2HA GLY 22 1HA GLY 22 0.034 -8.788 -3.670 127 H THR 23 H THR 23 -1.354 -9.070 -1.360 128 HA THR 23 HA THR 23 -1.278 -9.198 0.818 129 HB THR 23 HB THR 23 -1.690 -11.608 0.440 130 HG1 THR 23 HG1 THR 23 -0.461 -10.611 2.781 131 1HG2 THR 23 3HG2 THR 23 1.250 -11.941 1.237 132 2HG2 THR 23 1HG2 THR 23 0.010 -13.199 1.348 133 3HG2 THR 23 2HG2 THR 23 0.454 -12.560 -0.228 134 H THR 24 H THR 24 2.032 -9.699 -0.403 135 HA THR 24 HA THR 24 3.287 -8.499 1.951 136 HB THR 24 HB THR 24 5.113 -7.949 0.200 137 HG1 THR 24 HG1 THR 24 4.717 -8.420 -1.764 138 1HG2 THR 24 3HG2 THR 24 4.319 -10.840 0.648 139 2HG2 THR 24 1HG2 THR 24 5.859 -10.255 -0.042 140 3HG2 THR 24 2HG2 THR 24 5.420 -9.829 1.622 141 H CYS 25 H CYS 25 4.403 -6.378 1.778 142 HA CYS 25 HA CYS 25 3.539 -4.344 0.027 143 1HB CYS 25 1HB CYS 25 1.463 -4.592 1.538 144 2HB CYS 25 2HB CYS 25 2.462 -3.983 2.858 145 H GLN 26 H GLN 26 4.894 -2.561 0.095 146 HA GLN 26 HA GLN 26 6.783 -2.228 2.408 147 1HB GLN 26 1HB GLN 26 8.670 -2.131 1.073 148 2HB GLN 26 2HB GLN 26 7.766 -3.479 0.417 149 1HG GLN 26 2HG GLN 26 8.282 -2.419 -1.576 150 2HG GLN 26 1HG GLN 26 6.768 -1.586 -1.232 151 1HE2 GLN 26 1HE2 GLN 26 10.257 0.498 -0.570 152 2HE2 GLN 26 2HE2 GLN 26 10.263 -1.238 -0.205 153 H VAL 27 H VAL 27 8.208 -0.090 1.797 154 HA VAL 27 HA VAL 27 6.177 2.120 1.876 155 HB VAL 27 HB VAL 27 6.720 1.561 4.068 156 1HG1 VAL 27 1HG2 VAL 27 9.683 1.638 3.372 157 2HG1 VAL 27 2HG2 VAL 27 9.027 1.613 5.011 158 3HG1 VAL 27 3HG2 VAL 27 8.725 0.255 3.931 159 1HG2 VAL 27 2HG1 VAL 27 6.656 3.997 3.523 160 2HG2 VAL 27 3HG1 VAL 27 7.617 3.610 4.960 161 3HG2 VAL 27 1HG1 VAL 27 8.435 3.990 3.436 162 H LEU 28 H LEU 28 6.404 3.459 0.192 163 HA LEU 28 HA LEU 28 9.028 4.296 -0.911 164 1HB LEU 28 1HB LEU 28 6.167 5.286 -1.400 165 2HB LEU 28 2HB LEU 28 7.613 6.003 -2.100 166 HG LEU 28 HG LEU 28 8.156 3.670 -3.065 167 1HD1 LEU 28 2HD1 LEU 28 6.355 2.422 -1.740 168 2HD1 LEU 28 3HD1 LEU 28 5.155 3.340 -2.658 169 3HD1 LEU 28 1HD1 LEU 28 6.267 2.217 -3.482 170 1HD2 LEU 28 2HD2 LEU 28 5.739 5.260 -4.053 171 2HD2 LEU 28 3HD2 LEU 28 7.437 5.622 -4.420 172 3HD2 LEU 28 1HD2 LEU 28 6.699 4.130 -5.029 173 H ASN 29 H ASN 29 6.339 5.942 0.710 174 HA ASN 29 HA ASN 29 8.207 7.457 2.443 175 1HB ASN 29 1HB ASN 29 6.887 9.502 2.185 176 2HB ASN 29 2HB ASN 29 7.501 8.970 0.624 177 1HD2 ASN 29 1HD2 ASN 29 3.575 9.453 0.935 178 2HD2 ASN 29 2HD2 ASN 29 4.700 10.156 2.102 179 HA PRO 30 HA PRO 30 6.069 5.524 5.650 180 1HB PRO 30 2HB PRO 30 5.727 7.624 7.566 181 2HB PRO 30 1HB PRO 30 7.100 6.513 7.368 182 1HG PRO 30 2HG PRO 30 6.776 9.301 6.279 183 2HG PRO 30 1HG PRO 30 8.241 8.533 6.943 184 1HD PRO 30 2HD PRO 30 7.927 8.792 4.290 185 2HD PRO 30 1HD PRO 30 8.588 7.269 4.946 186 H TYR 31 H TYR 31 4.403 8.498 4.697 187 HA TYR 31 HA TYR 31 1.792 7.613 5.671 188 1HB TYR 31 1HB TYR 31 2.652 10.039 4.074 189 2HB TYR 31 2HB TYR 31 1.053 9.776 4.748 190 HD1 TYR 31 HD2 TYR 31 0.643 9.885 7.203 191 HD2 TYR 31 HD1 TYR 31 4.551 10.707 5.558 192 HE1 TYR 31 HE2 TYR 31 1.476 10.511 9.468 193 HE2 TYR 31 HE1 TYR 31 5.345 11.393 7.815 194 HH TYR 31 HH TYR 31 4.827 11.582 10.012 195 H TYR 32 H TYR 32 3.385 6.429 3.034 196 HA TYR 32 HA TYR 32 0.868 5.480 1.792 197 1HB TYR 32 2HB TYR 32 1.790 7.567 0.559 198 2HB TYR 32 1HB TYR 32 3.106 6.518 0.068 199 HD1 TYR 32 HD2 TYR 32 0.820 4.054 -0.194 200 HD2 TYR 32 HD1 TYR 32 1.344 7.979 -1.889 201 HE1 TYR 32 HE2 TYR 32 0.721 3.072 -2.460 202 HE2 TYR 32 HE1 TYR 32 1.090 7.002 -4.173 203 HH TYR 32 HH TYR 32 0.723 3.559 -4.757 204 H SER 33 H SER 33 1.327 3.384 2.696 205 HA SER 33 HA SER 33 3.732 1.937 1.805 206 1HB SER 33 1HB SER 33 2.839 1.612 4.055 207 2HB SER 33 2HB SER 33 1.357 0.905 3.378 208 HG SER 33 HG SER 33 3.826 -0.174 2.542 209 H GLN 34 H GLN 34 3.914 0.732 0.010 210 HA GLN 34 HA GLN 34 1.599 0.452 -1.864 211 1HB GLN 34 1HB GLN 34 3.324 2.109 -2.402 212 2HB GLN 34 2HB GLN 34 4.546 0.819 -2.450 213 1HG GLN 34 1HG GLN 34 3.284 -0.226 -4.358 214 2HG GLN 34 2HG GLN 34 2.114 1.080 -4.292 215 1HE2 GLN 34 2HE2 GLN 34 4.357 3.373 -5.898 216 2HE2 GLN 34 1HE2 GLN 34 2.902 3.358 -4.904 217 H CYS 35 H CYS 35 1.290 -1.427 -3.029 218 HA CYS 35 HA CYS 35 1.699 -3.722 -1.347 219 1HB CYS 35 1HB CYS 35 -0.401 -2.863 -2.322 220 2HB CYS 35 2HB CYS 35 0.126 -3.420 -3.910 221 H LEU 36 H LEU 36 4.131 -3.691 -1.916 222 HA LEU 36 HA LEU 36 4.695 -5.913 -3.835 223 1HB LEU 36 1HB LEU 36 6.614 -3.749 -2.883 224 2HB LEU 36 2HB LEU 36 6.996 -5.119 -3.899 225 HG LEU 36 HG LEU 36 5.119 -4.124 -5.502 226 1HD1 LEU 36 1HD2 LEU 36 5.986 -1.720 -3.810 227 2HD1 LEU 36 2HD2 LEU 36 5.333 -1.548 -5.430 228 3HD1 LEU 36 3HD2 LEU 36 4.332 -2.264 -4.164 229 1HD2 LEU 36 2HD1 LEU 36 7.574 -4.427 -5.982 230 2HD2 LEU 36 3HD1 LEU 36 6.855 -3.007 -6.751 231 3HD2 LEU 36 1HD1 LEU 36 7.861 -2.811 -5.301 No H/Q in entry = 231 Start of MODEL 9 1 1H THR 1 2H THR 1 -0.802 -12.976 -10.372 2 2H THR 1 3H THR 1 -1.216 -12.731 -8.818 3 3H THR 1 1H THR 1 -2.165 -13.707 -9.761 4 HA THR 1 HA THR 1 -2.848 -11.902 -11.138 5 HB THR 1 HB THR 1 -4.072 -12.256 -8.981 6 HG1 THR 1 HG1 THR 1 -5.074 -10.183 -9.059 7 1HG2 THR 1 2HG2 THR 1 -2.307 -11.549 -7.385 8 2HG2 THR 1 3HG2 THR 1 -2.436 -9.874 -7.966 9 3HG2 THR 1 1HG2 THR 1 -3.810 -10.653 -7.191 10 H GLN 2 H GLN 2 -3.001 -9.134 -10.489 11 HA GLN 2 HA GLN 2 -0.181 -8.163 -10.932 12 1HB GLN 2 1HB GLN 2 -2.840 -7.299 -12.136 13 2HB GLN 2 2HB GLN 2 -1.409 -6.283 -12.144 14 1HG GLN 2 1HG GLN 2 -1.439 -7.349 -14.248 15 2HG GLN 2 2HG GLN 2 -0.108 -8.043 -13.320 16 1HE2 GLN 2 2HE2 GLN 2 -1.439 -10.973 -14.913 17 2HE2 GLN 2 1HE2 GLN 2 -0.265 -9.679 -15.143 18 H SER 3 H SER 3 0.236 -5.865 -10.241 19 HA SER 3 HA SER 3 -0.588 -5.470 -7.460 20 1HB SER 3 1HB SER 3 1.213 -3.795 -7.503 21 2HB SER 3 2HB SER 3 1.747 -5.338 -8.140 22 HG SER 3 HG SER 3 2.336 -3.508 -9.471 23 H HIS 4 H HIS 4 -2.840 -5.040 -9.138 24 HA HIS 4 HA HIS 4 -3.613 -2.990 -10.422 25 1HB HIS 4 1HB HIS 4 -5.023 -3.995 -7.936 26 2HB HIS 4 2HB HIS 4 -5.797 -2.881 -9.059 27 HD2 HIS 4 HD2 HIS 4 -7.457 -4.243 -10.633 28 HE1 HIS 4 HE1 HIS 4 -5.137 -7.755 -11.095 29 HE2 HIS 4 HE2 HIS 4 -7.337 -6.637 -11.720 30 H ALA 5 H ALA 5 -3.258 -2.281 -6.927 31 HA ALA 5 HA ALA 5 -3.470 0.666 -7.486 32 1HB ALA 5 2HB ALA 5 -5.491 -0.216 -6.412 33 2HB ALA 5 3HB ALA 5 -4.511 -0.820 -5.058 34 3HB ALA 5 1HB ALA 5 -4.607 0.924 -5.379 35 H GLY 6 H GLY 6 -1.366 1.174 -7.555 36 1HA GLY 6 1HA GLY 6 0.851 0.183 -6.385 37 2HA GLY 6 2HA GLY 6 0.686 1.896 -6.747 38 H GLN 7 H GLN 7 -0.806 3.022 -4.813 39 HA GLN 7 HA GLN 7 0.761 2.660 -2.373 40 1HB GLN 7 1HB GLN 7 0.090 4.877 -3.302 41 2HB GLN 7 2HB GLN 7 -1.573 4.532 -2.797 42 1HG GLN 7 1HG GLN 7 -0.685 4.211 -0.432 43 2HG GLN 7 2HG GLN 7 0.921 4.672 -1.025 44 1HE2 GLN 7 2HE2 GLN 7 -0.559 7.669 0.482 45 2HE2 GLN 7 1HE2 GLN 7 -0.033 6.090 1.080 46 H CYS 8 H CYS 8 0.280 1.091 -0.930 47 HA CYS 8 HA CYS 8 -1.952 -0.650 -1.122 48 1HB CYS 8 2HB CYS 8 0.270 -1.333 -0.289 49 2HB CYS 8 1HB CYS 8 0.048 -0.302 1.121 50 H GLY 9 H GLY 9 -1.284 1.622 1.560 51 1HA GLY 9 1HA GLY 9 -3.813 2.651 2.109 52 2HA GLY 9 2HA GLY 9 -3.823 1.088 2.928 53 H GLY 10 H GLY 10 -1.533 3.817 2.603 54 1HA GLY 10 1HA GLY 10 -0.080 3.189 4.997 55 2HA GLY 10 2HA GLY 10 0.089 4.637 4.002 56 H ILE 11 H ILE 11 0.594 4.949 6.592 57 HA ILE 11 HA ILE 11 -1.548 5.788 8.294 58 HB ILE 11 HB ILE 11 1.321 6.741 8.176 59 1HG1 ILE 11 2HG1 ILE 11 0.016 4.569 9.877 60 2HG1 ILE 11 1HG1 ILE 11 1.076 4.285 8.493 61 1HG2 ILE 11 2HG2 ILE 11 -0.203 8.297 9.477 62 2HG2 ILE 11 3HG2 ILE 11 -0.622 6.929 10.518 63 3HG2 ILE 11 1HG2 ILE 11 1.044 7.535 10.450 64 1HD1 ILE 11 2HD1 ILE 11 2.891 5.594 9.723 65 2HD1 ILE 11 3HD1 ILE 11 1.852 5.477 11.162 66 3HD1 ILE 11 1HD1 ILE 11 2.452 4.007 10.378 67 H GLY 12 H GLY 12 -3.046 7.282 7.826 68 1HA GLY 12 2HA GLY 12 -3.723 9.606 7.480 69 2HA GLY 12 1HA GLY 12 -2.368 9.851 6.387 70 H TYR 13 H TYR 13 -2.359 8.066 4.560 71 HA TYR 13 HA TYR 13 -4.880 7.976 3.041 72 1HB TYR 13 1HB TYR 13 -2.580 8.270 2.082 73 2HB TYR 13 2HB TYR 13 -2.192 6.638 2.584 74 HD1 TYR 13 HD1 TYR 13 -4.222 8.742 0.251 75 HD2 TYR 13 HD2 TYR 13 -2.899 4.737 1.216 76 HE1 TYR 13 HE1 TYR 13 -4.788 7.972 -2.057 77 HE2 TYR 13 HE2 TYR 13 -3.482 4.002 -1.069 78 HH TYR 13 HH TYR 13 -4.232 4.596 -3.061 79 H SER 14 H SER 14 -5.566 6.945 5.366 80 HA SER 14 HA SER 14 -4.964 4.063 5.617 81 1HB SER 14 1HB SER 14 -6.314 5.982 7.556 82 2HB SER 14 2HB SER 14 -5.748 4.342 7.905 83 HG SER 14 HG SER 14 -3.630 5.305 7.016 84 H GLY 15 H GLY 15 -6.437 3.560 3.679 85 1HA GLY 15 1HA GLY 15 -8.762 2.267 4.797 86 2HA GLY 15 2HA GLY 15 -9.255 3.624 3.768 87 HA PRO 16 HA PRO 16 -9.056 -0.471 1.436 88 1HB PRO 16 2HB PRO 16 -11.796 0.442 0.570 89 2HB PRO 16 1HB PRO 16 -11.229 -1.188 1.006 90 1HG PRO 16 2HG PRO 16 -12.657 0.251 2.789 91 2HG PRO 16 1HG PRO 16 -11.197 -0.619 3.343 92 1HD PRO 16 2HD PRO 16 -11.411 2.315 2.567 93 2HD PRO 16 1HD PRO 16 -10.760 1.591 4.060 94 H THR 17 H THR 17 -7.379 0.930 0.472 95 HA THR 17 HA THR 17 -7.907 1.730 -2.377 96 HB THR 17 HB THR 17 -5.825 3.084 -2.137 97 HG1 THR 17 HG1 THR 17 -5.950 2.118 0.532 98 1HG2 THR 17 2HG2 THR 17 -8.011 4.144 -1.759 99 2HG2 THR 17 3HG2 THR 17 -7.945 3.714 -0.037 100 3HG2 THR 17 1HG2 THR 17 -6.756 4.840 -0.720 101 H VAL 18 H VAL 18 -7.253 -0.972 -1.129 102 HA VAL 18 HA VAL 18 -4.503 -1.517 -1.642 103 HB VAL 18 HB VAL 18 -5.832 -2.319 0.266 104 1HG1 VAL 18 2HG1 VAL 18 -7.962 -2.899 -0.900 105 2HG1 VAL 18 3HG1 VAL 18 -7.150 -4.272 -1.675 106 3HG1 VAL 18 1HG1 VAL 18 -7.349 -4.229 0.085 107 1HG2 VAL 18 3HG2 VAL 18 -3.718 -3.443 -0.324 108 2HG2 VAL 18 1HG2 VAL 18 -4.881 -4.523 0.459 109 3HG2 VAL 18 2HG2 VAL 18 -4.625 -4.632 -1.288 110 H CYS 19 H CYS 19 -3.502 -3.032 -2.941 111 HA CYS 19 HA CYS 19 -4.561 -3.595 -5.574 112 1HB CYS 19 1HB CYS 19 -2.428 -4.758 -5.908 113 2HB CYS 19 2HB CYS 19 -2.168 -3.209 -5.109 114 H ALA 20 H ALA 20 -4.238 -5.990 -6.426 115 HA ALA 20 HA ALA 20 -6.262 -7.644 -5.185 116 1HB ALA 20 2HB ALA 20 -5.904 -7.419 -7.624 117 2HB ALA 20 3HB ALA 20 -4.355 -8.268 -7.475 118 3HB ALA 20 1HB ALA 20 -5.885 -9.103 -7.107 119 H SER 21 H SER 21 -5.175 -10.271 -5.671 120 HA SER 21 HA SER 21 -4.231 -10.893 -3.050 121 1HB SER 21 1HB SER 21 -4.394 -13.166 -3.703 122 2HB SER 21 2HB SER 21 -5.736 -12.320 -4.474 123 HG SER 21 HG SER 21 -3.241 -13.010 -5.659 124 H GLY 22 H GLY 22 -2.345 -9.370 -3.312 125 1HA GLY 22 2HA GLY 22 0.214 -10.835 -4.002 126 2HA GLY 22 1HA GLY 22 -0.043 -9.092 -4.193 127 H THR 23 H THR 23 -1.225 -8.309 -1.988 128 HA THR 23 HA THR 23 -0.794 -7.397 -0.010 129 HB THR 23 HB THR 23 -1.908 -9.515 0.642 130 HG1 THR 23 HG1 THR 23 -0.075 -8.265 2.382 131 1HG2 THR 23 1HG2 THR 23 0.927 -10.430 1.372 132 2HG2 THR 23 2HG2 THR 23 -0.560 -11.141 2.003 133 3HG2 THR 23 3HG2 THR 23 -0.207 -11.242 0.273 134 H THR 24 H THR 24 1.701 -7.552 -1.646 135 HA THR 24 HA THR 24 3.948 -7.722 0.236 136 HB THR 24 HB THR 24 5.230 -6.864 -1.732 137 HG1 THR 24 HG1 THR 24 3.989 -6.790 -3.726 138 1HG2 THR 24 2HG2 THR 24 4.755 -9.327 -1.449 139 2HG2 THR 24 3HG2 THR 24 3.341 -9.144 -2.505 140 3HG2 THR 24 1HG2 THR 24 4.967 -8.816 -3.129 141 H CYS 25 H CYS 25 2.219 -6.188 1.461 142 HA CYS 25 HA CYS 25 1.990 -3.438 0.700 143 1HB CYS 25 1HB CYS 25 0.269 -4.859 1.828 144 2HB CYS 25 2HB CYS 25 1.254 -4.821 3.293 145 H GLN 26 H GLN 26 4.280 -3.047 0.540 146 HA GLN 26 HA GLN 26 5.973 -2.793 2.903 147 1HB GLN 26 1HB GLN 26 6.307 -2.991 0.017 148 2HB GLN 26 2HB GLN 26 7.080 -1.511 0.496 149 1HG GLN 26 2HG GLN 26 8.594 -3.496 0.490 150 2HG GLN 26 1HG GLN 26 8.545 -2.653 2.035 151 1HE2 GLN 26 2HE2 GLN 26 6.419 -6.133 2.095 152 2HE2 GLN 26 1HE2 GLN 26 6.120 -5.010 0.751 153 H VAL 27 H VAL 27 7.466 -0.680 2.787 154 HA VAL 27 HA VAL 27 5.902 1.790 2.587 155 HB VAL 27 HB VAL 27 5.452 0.829 4.897 156 1HG1 VAL 27 3HG2 VAL 27 7.801 0.012 5.353 157 2HG1 VAL 27 1HG2 VAL 27 8.318 1.704 5.506 158 3HG1 VAL 27 2HG2 VAL 27 7.132 1.032 6.634 159 1HG2 VAL 27 2HG1 VAL 27 5.126 3.231 4.324 160 2HG2 VAL 27 3HG1 VAL 27 5.594 2.990 6.009 161 3HG2 VAL 27 1HG1 VAL 27 6.797 3.550 4.828 162 H LEU 28 H LEU 28 7.088 3.620 2.234 163 HA LEU 28 HA LEU 28 10.076 3.383 2.021 164 1HB LEU 28 1HB LEU 28 8.094 5.328 0.788 165 2HB LEU 28 2HB LEU 28 9.825 5.632 0.863 166 HG LEU 28 HG LEU 28 10.358 3.698 -0.459 167 1HD1 LEU 28 3HD1 LEU 28 7.367 3.083 -0.462 168 2HD1 LEU 28 1HD1 LEU 28 8.516 2.400 -1.627 169 3HD1 LEU 28 2HD1 LEU 28 8.699 2.039 0.087 170 1HD2 LEU 28 3HD2 LEU 28 9.825 5.815 -1.613 171 2HD2 LEU 28 1HD2 LEU 28 9.358 4.420 -2.600 172 3HD2 LEU 28 2HD2 LEU 28 8.115 5.337 -1.725 173 H ASN 29 H ASN 29 8.057 6.222 2.807 174 HA ASN 29 HA ASN 29 9.446 6.580 5.420 175 1HB ASN 29 1HB ASN 29 8.466 8.831 5.371 176 2HB ASN 29 2HB ASN 29 9.443 8.514 3.941 177 1HD2 ASN 29 1HD2 ASN 29 5.665 9.591 3.327 178 2HD2 ASN 29 2HD2 ASN 29 6.533 9.938 4.819 179 HA PRO 30 HA PRO 30 6.076 4.863 7.807 180 1HB PRO 30 2HB PRO 30 6.138 7.516 9.278 181 2HB PRO 30 1HB PRO 30 5.926 5.876 9.944 182 1HG PRO 30 2HG PRO 30 8.387 7.005 9.980 183 2HG PRO 30 1HG PRO 30 8.202 5.304 9.481 184 1HD PRO 30 2HD PRO 30 8.615 7.729 7.721 185 2HD PRO 30 1HD PRO 30 9.301 6.084 7.582 186 H TYR 31 H TYR 31 5.443 8.316 7.003 187 HA TYR 31 HA TYR 31 2.549 7.975 6.834 188 1HB TYR 31 1HB TYR 31 4.403 10.281 6.184 189 2HB TYR 31 2HB TYR 31 2.656 10.350 6.050 190 HD1 TYR 31 HD2 TYR 31 1.169 10.062 8.042 191 HD2 TYR 31 HD1 TYR 31 5.464 10.391 8.431 192 HE1 TYR 31 HE2 TYR 31 0.926 10.540 10.480 193 HE2 TYR 31 HE1 TYR 31 5.197 10.884 10.855 194 HH TYR 31 HH TYR 31 3.754 11.153 12.557 195 H TYR 32 H TYR 32 3.285 6.057 5.305 196 HA TYR 32 HA TYR 32 2.202 6.538 2.693 197 1HB TYR 32 1HB TYR 32 4.559 7.440 2.432 198 2HB TYR 32 2HB TYR 32 5.181 5.835 2.752 199 HD1 TYR 32 HD2 TYR 32 2.658 7.539 0.472 200 HD2 TYR 32 HD1 TYR 32 5.835 4.645 0.877 201 HE1 TYR 32 HE2 TYR 32 2.446 6.937 -1.961 202 HE2 TYR 32 HE1 TYR 32 5.689 4.170 -1.583 203 HH TYR 32 HH TYR 32 4.581 4.548 -3.479 204 H SER 33 H SER 33 2.582 4.347 1.351 205 HA SER 33 HA SER 33 3.607 2.070 2.378 206 1HB SER 33 1HB SER 33 1.968 1.765 4.140 207 2HB SER 33 2HB SER 33 0.631 1.994 2.990 208 HG SER 33 HG SER 33 2.565 -0.120 2.935 209 H GLN 34 H GLN 34 3.705 0.473 0.770 210 HA GLN 34 HA GLN 34 2.200 0.993 -1.753 211 1HB GLN 34 1HB GLN 34 4.433 2.219 -1.587 212 2HB GLN 34 2HB GLN 34 5.218 0.640 -1.714 213 1HG GLN 34 1HG GLN 34 4.065 0.243 -3.888 214 2HG GLN 34 2HG GLN 34 3.225 1.797 -3.734 215 1HE2 GLN 34 2HE2 GLN 34 6.208 2.176 -5.959 216 2HE2 GLN 34 1HE2 GLN 34 5.034 0.854 -5.893 217 H CYS 35 H CYS 35 1.803 -0.672 -3.057 218 HA CYS 35 HA CYS 35 2.483 -3.463 -2.270 219 1HB CYS 35 1HB CYS 35 0.136 -2.970 -2.525 220 2HB CYS 35 2HB CYS 35 0.374 -2.299 -4.139 221 H LEU 36 H LEU 36 3.737 -4.750 -3.581 222 HA LEU 36 HA LEU 36 4.798 -3.696 -6.173 223 1HB LEU 36 1HB LEU 36 6.344 -5.185 -4.023 224 2HB LEU 36 2HB LEU 36 6.913 -4.808 -5.639 225 HG LEU 36 HG LEU 36 7.972 -3.338 -4.185 226 1HD1 LEU 36 2HD1 LEU 36 7.190 -2.285 -6.298 227 2HD1 LEU 36 3HD1 LEU 36 5.787 -1.630 -5.435 228 3HD1 LEU 36 1HD1 LEU 36 7.419 -1.124 -4.977 229 1HD2 LEU 36 3HD2 LEU 36 6.357 -3.544 -2.271 230 2HD2 LEU 36 1HD2 LEU 36 7.051 -1.930 -2.521 231 3HD2 LEU 36 2HD2 LEU 36 5.393 -2.254 -3.013 No H/Q in entry = 231 Start of MODEL 10 1 1H THR 1 1H THR 1 -9.677 -7.528 -8.113 2 2H THR 1 2H THR 1 -8.570 -8.184 -9.144 3 3H THR 1 3H THR 1 -8.695 -8.787 -7.616 4 HA THR 1 HA THR 1 -7.653 -6.859 -6.727 5 HB THR 1 HB THR 1 -5.561 -6.679 -8.272 6 HG1 THR 1 HG1 THR 1 -5.627 -8.125 -10.035 7 1HG2 THR 1 2HG2 THR 1 -5.832 -8.401 -6.450 8 2HG2 THR 1 3HG2 THR 1 -6.508 -9.524 -7.644 9 3HG2 THR 1 1HG2 THR 1 -4.843 -8.948 -7.815 10 H GLN 2 H GLN 2 -6.501 -4.763 -7.209 11 HA GLN 2 HA GLN 2 -7.979 -3.017 -9.147 12 1HB GLN 2 2HB GLN 2 -8.300 -2.414 -6.779 13 2HB GLN 2 1HB GLN 2 -6.560 -2.329 -6.545 14 1HG GLN 2 1HG GLN 2 -7.519 -0.078 -6.814 15 2HG GLN 2 2HG GLN 2 -6.393 -0.422 -8.123 16 1HE2 GLN 2 2HE2 GLN 2 -10.359 -0.341 -9.124 17 2HE2 GLN 2 1HE2 GLN 2 -9.958 -1.061 -7.562 18 H SER 3 H SER 3 -4.730 -3.947 -7.958 19 HA SER 3 HA SER 3 -2.625 -3.592 -8.782 20 1HB SER 3 1HB SER 3 -2.410 -3.984 -11.287 21 2HB SER 3 2HB SER 3 -3.208 -5.226 -10.335 22 HG SER 3 HG SER 3 -4.804 -3.231 -11.509 23 H HIS 4 H HIS 4 -3.622 -1.198 -8.011 24 HA HIS 4 HA HIS 4 -2.936 1.014 -9.670 25 1HB HIS 4 1HB HIS 4 -4.160 1.132 -7.530 26 2HB HIS 4 2HB HIS 4 -2.713 0.606 -6.658 27 HD2 HIS 4 HD2 HIS 4 -3.382 3.140 -5.361 28 HE1 HIS 4 HE1 HIS 4 -1.225 5.308 -8.289 29 HE2 HIS 4 HE2 HIS 4 -2.212 5.419 -5.938 30 H ALA 5 H ALA 5 -0.971 1.813 -10.308 31 HA ALA 5 HA ALA 5 1.307 0.054 -10.283 32 1HB ALA 5 3HB ALA 5 0.958 2.841 -11.433 33 2HB ALA 5 1HB ALA 5 2.323 1.750 -11.756 34 3HB ALA 5 2HB ALA 5 0.692 1.291 -12.261 35 H GLY 6 H GLY 6 1.420 0.117 -7.842 36 1HA GLY 6 1HA GLY 6 3.464 0.050 -6.616 37 2HA GLY 6 2HA GLY 6 3.913 1.660 -7.152 38 H GLN 7 H GLN 7 2.221 3.433 -6.346 39 HA GLN 7 HA GLN 7 2.372 3.448 -3.488 40 1HB GLN 7 1HB GLN 7 2.347 5.412 -5.180 41 2HB GLN 7 2HB GLN 7 0.592 5.321 -5.080 42 1HG GLN 7 1HG GLN 7 2.552 5.750 -2.755 43 2HG GLN 7 2HG GLN 7 1.623 7.011 -3.554 44 1HE2 GLN 7 2HE2 GLN 7 -0.089 5.150 -0.494 45 2HE2 GLN 7 1HE2 GLN 7 1.569 4.735 -0.975 46 H CYS 8 H CYS 8 1.039 2.376 -2.037 47 HA CYS 8 HA CYS 8 -1.136 0.800 -2.823 48 1HB CYS 8 2HB CYS 8 0.151 0.458 -0.738 49 2HB CYS 8 1HB CYS 8 -0.625 1.900 -0.065 50 H GLY 9 H GLY 9 -1.405 4.172 -1.836 51 1HA GLY 9 2HA GLY 9 -3.751 4.894 -2.892 52 2HA GLY 9 1HA GLY 9 -4.355 4.058 -1.454 53 H GLY 10 H GLY 10 -2.527 4.837 0.456 54 1HA GLY 10 2HA GLY 10 -1.667 7.352 1.014 55 2HA GLY 10 1HA GLY 10 -3.412 7.619 1.013 56 H ILE 11 H ILE 11 -0.799 6.718 2.991 57 HA ILE 11 HA ILE 11 -1.707 4.712 4.588 58 HB ILE 11 HB ILE 11 0.203 6.958 5.039 59 1HG1 ILE 11 2HG1 ILE 11 0.345 3.905 5.090 60 2HG1 ILE 11 1HG1 ILE 11 0.659 4.944 3.688 61 1HG2 ILE 11 2HG2 ILE 11 -0.753 6.830 7.273 62 2HG2 ILE 11 3HG2 ILE 11 -0.488 5.082 7.322 63 3HG2 ILE 11 1HG2 ILE 11 0.880 6.199 7.262 64 1HD1 ILE 11 3HD1 ILE 11 2.373 4.961 6.208 65 2HD1 ILE 11 1HD1 ILE 11 2.700 3.996 4.770 66 3HD1 ILE 11 2HD1 ILE 11 2.702 5.748 4.641 67 H GLY 12 H GLY 12 -2.742 4.297 6.463 68 1HA GLY 12 2HA GLY 12 -5.050 4.702 7.496 69 2HA GLY 12 1HA GLY 12 -5.344 5.744 6.093 70 H TYR 13 H TYR 13 -4.623 4.638 3.945 71 HA TYR 13 HA TYR 13 -5.049 1.750 3.612 72 1HB TYR 13 1HB TYR 13 -3.691 3.852 1.909 73 2HB TYR 13 2HB TYR 13 -3.592 2.151 1.558 74 HD1 TYR 13 HD1 TYR 13 -6.320 4.667 2.366 75 HD2 TYR 13 HD2 TYR 13 -5.035 1.342 -0.094 76 HE1 TYR 13 HE1 TYR 13 -8.497 4.691 1.165 77 HE2 TYR 13 HE2 TYR 13 -7.200 1.400 -1.288 78 HH TYR 13 HH TYR 13 -9.216 2.359 -1.435 79 H SER 14 H SER 14 -4.077 1.345 5.599 80 HA SER 14 HA SER 14 -1.148 0.648 5.468 81 1HB SER 14 1HB SER 14 -2.668 1.461 7.993 82 2HB SER 14 2HB SER 14 -0.930 1.161 7.828 83 HG SER 14 HG SER 14 -0.673 3.088 6.906 84 H GLY 15 H GLY 15 -4.390 -0.253 6.495 85 1HA GLY 15 2HA GLY 15 -3.627 -2.946 7.492 86 2HA GLY 15 1HA GLY 15 -5.211 -2.179 7.493 87 HA PRO 16 HA PRO 16 -5.049 -5.342 4.075 88 1HB PRO 16 1HB PRO 16 -7.309 -6.739 4.585 89 2HB PRO 16 2HB PRO 16 -5.865 -6.880 5.613 90 1HG PRO 16 1HG PRO 16 -8.268 -5.093 6.095 91 2HG PRO 16 2HG PRO 16 -7.562 -6.275 7.231 92 1HD PRO 16 2HD PRO 16 -6.900 -3.642 7.327 93 2HD PRO 16 1HD PRO 16 -5.664 -4.899 7.621 94 H THR 17 H THR 17 -5.308 -3.042 3.101 95 HA THR 17 HA THR 17 -7.580 -3.267 1.169 96 HB THR 17 HB THR 17 -8.265 -1.515 2.650 97 HG1 THR 17 HG1 THR 17 -8.106 0.236 0.966 98 1HG2 THR 17 3HG2 THR 17 -5.664 -0.065 1.973 99 2HG2 THR 17 1HG2 THR 17 -7.047 0.615 2.851 100 3HG2 THR 17 2HG2 THR 17 -6.116 -0.715 3.557 101 H VAL 18 H VAL 18 -5.487 -4.540 0.624 102 HA VAL 18 HA VAL 18 -3.424 -3.024 -0.813 103 HB VAL 18 HB VAL 18 -2.949 -4.965 0.677 104 1HG1 VAL 18 2HG1 VAL 18 -4.936 -6.378 -0.150 105 2HG1 VAL 18 3HG1 VAL 18 -3.960 -6.743 -1.584 106 3HG1 VAL 18 1HG1 VAL 18 -3.402 -7.221 0.029 107 1HG2 VAL 18 3HG2 VAL 18 -1.284 -4.219 -0.982 108 2HG2 VAL 18 1HG2 VAL 18 -1.219 -5.968 -0.738 109 3HG2 VAL 18 2HG2 VAL 18 -1.979 -5.316 -2.193 110 H CYS 19 H CYS 19 -2.982 -3.090 -3.015 111 HA CYS 19 HA CYS 19 -5.353 -3.337 -4.661 112 1HB CYS 19 1HB CYS 19 -4.319 -1.966 -6.180 113 2HB CYS 19 2HB CYS 19 -3.619 -1.434 -4.659 114 H ALA 20 H ALA 20 -2.504 -5.386 -4.416 115 HA ALA 20 HA ALA 20 -3.076 -6.683 -7.063 116 1HB ALA 20 3HB ALA 20 -0.403 -6.052 -5.772 117 2HB ALA 20 1HB ALA 20 -0.649 -6.919 -7.300 118 3HB ALA 20 2HB ALA 20 -1.150 -5.232 -7.157 119 H SER 21 H SER 21 -0.540 -8.089 -5.166 120 HA SER 21 HA SER 21 -1.989 -10.165 -3.870 121 1HB SER 21 1HB SER 21 -2.639 -10.797 -6.199 122 2HB SER 21 2HB SER 21 -0.929 -10.976 -6.618 123 HG SER 21 HG SER 21 -0.843 -12.661 -5.032 124 H GLY 22 H GLY 22 -0.584 -10.616 -2.317 125 1HA GLY 22 2HA GLY 22 2.093 -11.351 -2.118 126 2HA GLY 22 1HA GLY 22 2.121 -9.606 -2.463 127 H THR 23 H THR 23 0.405 -8.366 -1.227 128 HA THR 23 HA THR 23 -1.524 -8.372 0.021 129 HB THR 23 HB THR 23 -0.578 -10.701 1.710 130 HG1 THR 23 HG1 THR 23 -1.480 -11.983 0.227 131 1HG2 THR 23 3HG2 THR 23 -3.391 -9.664 1.123 132 2HG2 THR 23 1HG2 THR 23 -2.995 -11.149 1.999 133 3HG2 THR 23 2HG2 THR 23 -2.571 -9.587 2.700 134 H THR 24 H THR 24 1.420 -7.440 0.715 135 HA THR 24 HA THR 24 0.790 -6.097 3.299 136 HB THR 24 HB THR 24 3.086 -5.591 3.522 137 HG1 THR 24 HG1 THR 24 3.335 -6.566 0.905 138 1HG2 THR 24 2HG2 THR 24 2.298 -7.918 4.139 139 2HG2 THR 24 3HG2 THR 24 2.917 -8.482 2.574 140 3HG2 THR 24 1HG2 THR 24 4.044 -7.826 3.760 141 H CYS 25 H CYS 25 -0.390 -4.308 2.938 142 HA CYS 25 HA CYS 25 0.268 -2.276 0.877 143 1HB CYS 25 1HB CYS 25 -2.031 -2.569 1.621 144 2HB CYS 25 2HB CYS 25 -1.564 -2.230 3.288 145 H GLN 26 H GLN 26 2.477 -2.327 1.321 146 HA GLN 26 HA GLN 26 3.691 -2.246 3.811 147 1HB GLN 26 1HB GLN 26 4.511 -3.112 1.553 148 2HB GLN 26 2HB GLN 26 4.891 -1.464 1.092 149 1HG GLN 26 2HG GLN 26 6.834 -2.893 1.901 150 2HG GLN 26 1HG GLN 26 6.687 -1.345 2.703 151 1HE2 GLN 26 2HE2 GLN 26 5.922 -4.778 4.804 152 2HE2 GLN 26 1HE2 GLN 26 5.942 -4.862 3.033 153 H VAL 27 H VAL 27 5.520 -0.646 4.509 154 HA VAL 27 HA VAL 27 4.867 2.236 3.945 155 HB VAL 27 HB VAL 27 3.828 1.743 5.982 156 1HG1 VAL 27 3HG2 VAL 27 4.957 -0.283 6.749 157 2HG1 VAL 27 1HG2 VAL 27 6.435 0.631 7.101 158 3HG1 VAL 27 2HG2 VAL 27 4.953 0.951 8.010 159 1HG2 VAL 27 3HG1 VAL 27 5.066 3.910 5.770 160 2HG2 VAL 27 1HG1 VAL 27 4.837 3.380 7.445 161 3HG2 VAL 27 2HG1 VAL 27 6.418 3.184 6.667 162 H LEU 28 H LEU 28 6.523 2.748 2.597 163 HA LEU 28 HA LEU 28 9.358 2.066 3.119 164 1HB LEU 28 1HB LEU 28 7.854 3.798 1.127 165 2HB LEU 28 2HB LEU 28 9.591 3.983 1.309 166 HG LEU 28 HG LEU 28 10.047 1.715 0.706 167 1HD1 LEU 28 1HD2 LEU 28 7.024 1.306 0.596 168 2HD1 LEU 28 2HD2 LEU 28 8.212 0.190 -0.111 169 3HD1 LEU 28 3HD2 LEU 28 8.197 0.460 1.633 170 1HD2 LEU 28 2HD1 LEU 28 9.723 3.437 -1.076 171 2HD2 LEU 28 3HD1 LEU 28 9.342 1.796 -1.621 172 3HD2 LEU 28 1HD1 LEU 28 8.029 2.929 -1.228 173 H ASN 29 H ASN 29 7.298 4.895 3.464 174 HA ASN 29 HA ASN 29 8.780 5.837 5.782 175 1HB ASN 29 1HB ASN 29 8.953 8.208 4.903 176 2HB ASN 29 2HB ASN 29 10.033 7.066 4.122 177 1HD2 ASN 29 1HD2 ASN 29 8.636 7.763 0.946 178 2HD2 ASN 29 2HD2 ASN 29 9.941 6.989 1.852 179 HA PRO 30 HA PRO 30 4.607 6.726 7.071 180 1HB PRO 30 2HB PRO 30 4.795 9.155 8.415 181 2HB PRO 30 1HB PRO 30 5.266 7.568 9.076 182 1HG PRO 30 2HG PRO 30 7.071 9.605 7.748 183 2HG PRO 30 1HG PRO 30 7.328 8.754 9.298 184 1HD PRO 30 2HD PRO 30 8.521 7.859 7.065 185 2HD PRO 30 1HD PRO 30 7.774 6.682 8.170 186 H TYR 31 H TYR 31 3.049 7.324 5.796 187 HA TYR 31 HA TYR 31 1.704 8.361 4.353 188 1HB TYR 31 2HB TYR 31 3.723 10.565 3.938 189 2HB TYR 31 1HB TYR 31 2.204 10.418 3.093 190 HD1 TYR 31 HD2 TYR 31 0.006 10.433 4.294 191 HD2 TYR 31 HD1 TYR 31 3.716 11.292 6.339 192 HE1 TYR 31 HE2 TYR 31 -1.243 10.819 6.405 193 HE2 TYR 31 HE1 TYR 31 2.447 11.656 8.456 194 HH TYR 31 HH TYR 31 -1.062 11.073 8.630 195 H TYR 32 H TYR 32 5.029 7.839 3.009 196 HA TYR 32 HA TYR 32 3.829 6.822 0.521 197 1HB TYR 32 1HB TYR 32 6.147 7.826 0.735 198 2HB TYR 32 2HB TYR 32 6.660 6.259 1.355 199 HD1 TYR 32 HD1 TYR 32 5.681 4.154 -0.264 200 HD2 TYR 32 HD2 TYR 32 6.657 8.184 -1.507 201 HE1 TYR 32 HE1 TYR 32 5.615 3.444 -2.621 202 HE2 TYR 32 HE2 TYR 32 6.754 7.401 -3.869 203 HH TYR 32 HH TYR 32 5.956 4.047 -4.778 204 H SER 33 H SER 33 2.311 5.306 1.253 205 HA SER 33 HA SER 33 3.464 2.700 2.033 206 1HB SER 33 1HB SER 33 1.367 2.940 3.106 207 2HB SER 33 2HB SER 33 0.565 3.532 1.633 208 HG SER 33 HG SER 33 1.396 0.927 2.351 209 H GLN 34 H GLN 34 3.202 0.776 0.781 210 HA GLN 34 HA GLN 34 3.048 1.184 -2.169 211 1HB GLN 34 1HB GLN 34 5.430 1.280 -1.227 212 2HB GLN 34 2HB GLN 34 5.256 -0.446 -0.891 213 1HG GLN 34 1HG GLN 34 4.862 -0.884 -3.314 214 2HG GLN 34 2HG GLN 34 4.963 0.838 -3.645 215 1HE2 GLN 34 2HE2 GLN 34 8.516 0.876 -3.471 216 2HE2 GLN 34 1HE2 GLN 34 7.101 1.931 -3.403 217 H CYS 35 H CYS 35 2.081 -0.429 -3.315 218 HA CYS 35 HA CYS 35 0.566 -2.501 -1.910 219 1HB CYS 35 1HB CYS 35 -0.472 -1.167 -3.601 220 2HB CYS 35 2HB CYS 35 0.769 -1.557 -4.794 221 H LEU 36 H LEU 36 2.214 -3.974 -1.103 222 HA LEU 36 HA LEU 36 3.311 -5.894 -3.149 223 1HB LEU 36 1HB LEU 36 4.420 -4.803 -0.556 224 2HB LEU 36 2HB LEU 36 4.831 -6.442 -1.047 225 HG LEU 36 HG LEU 36 5.980 -5.758 -2.987 226 1HD1 LEU 36 3HD1 LEU 36 4.881 -2.977 -2.457 227 2HD1 LEU 36 1HD1 LEU 36 6.243 -3.312 -3.560 228 3HD1 LEU 36 2HD1 LEU 36 4.662 -3.986 -3.910 229 1HD2 LEU 36 3HD2 LEU 36 7.075 -5.553 -0.727 230 2HD2 LEU 36 1HD2 LEU 36 7.775 -4.468 -1.938 231 3HD2 LEU 36 2HD2 LEU 36 6.656 -3.830 -0.715 No H/Q in entry = 231 Start of MODEL 11 1 1H THR 1 2H THR 1 -5.229 -8.545 -10.303 2 2H THR 1 3H THR 1 -5.000 -9.991 -11.110 3 3H THR 1 1H THR 1 -6.189 -9.858 -9.985 4 HA THR 1 HA THR 1 -4.627 -9.779 -8.253 5 HB THR 1 HB THR 1 -3.306 -11.965 -8.748 6 HG1 THR 1 HG1 THR 1 -3.559 -12.713 -10.748 7 1HG2 THR 1 3HG2 THR 1 -6.359 -11.882 -9.045 8 2HG2 THR 1 1HG2 THR 1 -5.393 -13.325 -8.719 9 3HG2 THR 1 2HG2 THR 1 -5.436 -12.016 -7.531 10 H GLN 2 H GLN 2 -2.982 -8.240 -7.857 11 HA GLN 2 HA GLN 2 -0.433 -8.406 -9.425 12 1HB GLN 2 1HB GLN 2 -2.053 -5.880 -8.937 13 2HB GLN 2 2HB GLN 2 -0.389 -5.902 -9.507 14 1HG GLN 2 1HG GLN 2 -2.681 -7.194 -11.053 15 2HG GLN 2 2HG GLN 2 -2.124 -5.540 -11.276 16 1HE2 GLN 2 2HE2 GLN 2 0.212 -8.513 -12.754 17 2HE2 GLN 2 1HE2 GLN 2 -1.000 -8.980 -11.551 18 H SER 3 H SER 3 1.217 -8.677 -8.039 19 HA SER 3 HA SER 3 1.297 -7.696 -5.277 20 1HB SER 3 1HB SER 3 3.446 -8.754 -7.166 21 2HB SER 3 2HB SER 3 3.715 -8.370 -5.478 22 HG SER 3 HG SER 3 2.307 -9.980 -4.862 23 H HIS 4 H HIS 4 3.462 -6.828 -8.009 24 HA HIS 4 HA HIS 4 3.867 -4.155 -7.228 25 1HB HIS 4 1HB HIS 4 4.309 -5.390 -9.956 26 2HB HIS 4 2HB HIS 4 5.095 -3.954 -9.281 27 HD2 HIS 4 HD2 HIS 4 6.878 -4.464 -7.138 28 HE1 HIS 4 HE1 HIS 4 6.578 -8.673 -7.273 29 HE2 HIS 4 HE2 HIS 4 7.694 -6.719 -6.094 30 H ALA 5 H ALA 5 2.247 -2.768 -7.009 31 HA ALA 5 HA ALA 5 0.587 -1.988 -9.354 32 1HB ALA 5 2HB ALA 5 -0.529 -3.925 -8.221 33 2HB ALA 5 3HB ALA 5 -0.624 -2.967 -6.738 34 3HB ALA 5 1HB ALA 5 -1.508 -2.460 -8.204 35 H GLY 6 H GLY 6 -1.239 -0.778 -7.106 36 1HA GLY 6 1HA GLY 6 0.117 1.893 -7.077 37 2HA GLY 6 2HA GLY 6 -1.590 1.549 -6.867 38 H GLN 7 H GLN 7 -2.139 2.273 -4.890 39 HA GLN 7 HA GLN 7 -0.337 2.291 -2.611 40 1HB GLN 7 1HB GLN 7 -2.064 4.048 -3.278 41 2HB GLN 7 2HB GLN 7 -3.287 2.955 -2.635 42 1HG GLN 7 2HG GLN 7 -2.096 3.048 -0.403 43 2HG GLN 7 1HG GLN 7 -0.898 4.142 -1.134 44 1HE2 GLN 7 2HE2 GLN 7 -3.146 6.410 0.548 45 2HE2 GLN 7 1HE2 GLN 7 -1.741 5.398 0.916 46 H CYS 8 H CYS 8 -0.692 1.230 -0.599 47 HA CYS 8 HA CYS 8 -2.345 -1.299 -0.613 48 1HB CYS 8 2HB CYS 8 -0.073 -1.810 -0.113 49 2HB CYS 8 1HB CYS 8 0.046 -0.474 1.027 50 H GLY 9 H GLY 9 -1.396 1.079 1.867 51 1HA GLY 9 1HA GLY 9 -3.947 2.192 2.517 52 2HA GLY 9 2HA GLY 9 -3.723 0.741 3.499 53 H GLY 10 H GLY 10 -2.431 3.975 2.829 54 1HA GLY 10 1HA GLY 10 -0.095 3.651 4.531 55 2HA GLY 10 2HA GLY 10 -0.566 5.113 3.672 56 H ILE 11 H ILE 11 0.506 4.689 6.413 57 HA ILE 11 HA ILE 11 -1.305 4.941 8.510 58 HB ILE 11 HB ILE 11 1.440 6.196 8.235 59 1HG1 ILE 11 2HG1 ILE 11 0.523 3.503 9.352 60 2HG1 ILE 11 1HG1 ILE 11 1.468 3.761 7.883 61 1HG2 ILE 11 2HG2 ILE 11 0.140 7.212 10.125 62 2HG2 ILE 11 3HG2 ILE 11 -0.131 5.586 10.779 63 3HG2 ILE 11 1HG2 ILE 11 1.504 6.270 10.685 64 1HD1 ILE 11 2HD1 ILE 11 3.293 4.789 9.317 65 2HD1 ILE 11 3HD1 ILE 11 2.387 4.213 10.736 66 3HD1 ILE 11 1HD1 ILE 11 3.002 3.056 9.552 67 H GLY 12 H GLY 12 -3.041 6.241 8.498 68 1HA GLY 12 2HA GLY 12 -3.919 8.492 9.060 69 2HA GLY 12 1HA GLY 12 -2.820 9.192 7.882 70 H TYR 13 H TYR 13 -3.107 7.499 5.703 71 HA TYR 13 HA TYR 13 -5.885 7.919 4.737 72 1HB TYR 13 1HB TYR 13 -3.780 8.409 3.389 73 2HB TYR 13 2HB TYR 13 -3.579 6.673 3.212 74 HD1 TYR 13 HD2 TYR 13 -6.914 6.404 2.915 75 HD2 TYR 13 HD1 TYR 13 -3.789 8.724 0.997 76 HE1 TYR 13 HE2 TYR 13 -8.174 6.378 0.813 77 HE2 TYR 13 HE1 TYR 13 -5.119 8.713 -1.108 78 HH TYR 13 HH TYR 13 -8.106 6.840 -1.428 79 H SER 14 H SER 14 -6.176 6.456 6.778 80 HA SER 14 HA SER 14 -5.757 3.598 6.525 81 1HB SER 14 1HB SER 14 -7.366 5.221 8.531 82 2HB SER 14 2HB SER 14 -6.867 3.525 8.716 83 HG SER 14 HG SER 14 -5.400 4.981 9.765 84 H GLY 15 H GLY 15 -7.033 3.764 4.319 85 1HA GLY 15 1HA GLY 15 -9.796 2.706 4.768 86 2HA GLY 15 2HA GLY 15 -9.597 4.154 3.770 87 HA PRO 16 HA PRO 16 -9.320 0.118 1.315 88 1HB PRO 16 1HB PRO 16 -11.675 0.123 -0.055 89 2HB PRO 16 2HB PRO 16 -11.561 -0.361 1.652 90 1HG PRO 16 1HG PRO 16 -12.298 2.378 0.572 91 2HG PRO 16 2HG PRO 16 -13.225 1.398 1.743 92 1HD PRO 16 1HD PRO 16 -11.523 3.343 2.588 93 2HD PRO 16 2HD PRO 16 -11.631 1.795 3.467 94 H THR 17 H THR 17 -7.608 1.730 0.633 95 HA THR 17 HA THR 17 -7.901 2.398 -2.297 96 HB THR 17 HB THR 17 -7.509 4.360 -0.923 97 HG1 THR 17 HG1 THR 17 -5.262 4.672 -2.025 98 1HG2 THR 17 2HG2 THR 17 -6.193 3.280 0.958 99 2HG2 THR 17 3HG2 THR 17 -4.799 3.197 -0.117 100 3HG2 THR 17 1HG2 THR 17 -5.488 4.762 0.322 101 H VAL 18 H VAL 18 -7.678 -0.115 -2.005 102 HA VAL 18 HA VAL 18 -4.847 -0.966 -1.597 103 HB VAL 18 HB VAL 18 -6.430 -1.461 0.183 104 1HG1 VAL 18 3HG2 VAL 18 -8.521 -1.844 -1.133 105 2HG1 VAL 18 1HG2 VAL 18 -7.835 -3.365 -1.740 106 3HG1 VAL 18 2HG2 VAL 18 -8.160 -3.158 -0.012 107 1HG2 VAL 18 2HG1 VAL 18 -4.435 -2.885 -0.207 108 2HG2 VAL 18 3HG1 VAL 18 -5.772 -3.771 0.531 109 3HG2 VAL 18 1HG1 VAL 18 -5.425 -3.982 -1.196 110 H CYS 19 H CYS 19 -3.777 -2.209 -2.962 111 HA CYS 19 HA CYS 19 -4.487 -2.839 -5.568 112 1HB CYS 19 1HB CYS 19 -2.530 -4.377 -5.520 113 2HB CYS 19 2HB CYS 19 -2.225 -2.799 -4.798 114 H ALA 20 H ALA 20 -5.668 -4.344 -6.615 115 HA ALA 20 HA ALA 20 -7.202 -6.410 -5.432 116 1HB ALA 20 2HB ALA 20 -7.740 -5.419 -7.589 117 2HB ALA 20 3HB ALA 20 -6.286 -6.138 -8.319 118 3HB ALA 20 1HB ALA 20 -7.598 -7.177 -7.724 119 H SER 21 H SER 21 -6.176 -7.844 -4.207 120 HA SER 21 HA SER 21 -4.543 -9.133 -3.386 121 1HB SER 21 1HB SER 21 -6.639 -10.332 -3.618 122 2HB SER 21 2HB SER 21 -6.072 -11.063 -5.133 123 HG SER 21 HG SER 21 -5.544 -11.873 -2.630 124 H GLY 22 H GLY 22 -2.715 -10.139 -3.263 125 1HA GLY 22 2HA GLY 22 -0.640 -10.941 -4.862 126 2HA GLY 22 1HA GLY 22 -0.793 -9.223 -5.256 127 H THR 23 H THR 23 -1.514 -8.066 -2.970 128 HA THR 23 HA THR 23 -1.353 -7.552 -0.804 129 HB THR 23 HB THR 23 -2.552 -9.701 -0.765 130 HG1 THR 23 HG1 THR 23 -0.976 -9.059 1.486 131 1HG2 THR 23 3HG2 THR 23 0.074 -10.889 0.246 132 2HG2 THR 23 1HG2 THR 23 -1.526 -11.636 0.394 133 3HG2 THR 23 2HG2 THR 23 -0.817 -11.404 -1.200 134 H THR 24 H THR 24 1.320 -7.639 -2.154 135 HA THR 24 HA THR 24 3.318 -7.917 -0.049 136 HB THR 24 HB THR 24 4.715 -7.001 -2.053 137 HG1 THR 24 HG1 THR 24 3.652 -6.851 -3.925 138 1HG2 THR 24 3HG2 THR 24 3.159 -9.617 -2.329 139 2HG2 THR 24 1HG2 THR 24 4.619 -9.179 -3.242 140 3HG2 THR 24 2HG2 THR 24 4.702 -9.380 -1.482 141 H CYS 25 H CYS 25 1.899 -6.325 1.225 142 HA CYS 25 HA CYS 25 1.906 -3.544 0.659 143 1HB CYS 25 1HB CYS 25 0.435 -4.865 2.261 144 2HB CYS 25 2HB CYS 25 1.770 -4.804 3.407 145 H GLN 26 H GLN 26 3.766 -2.432 0.262 146 HA GLN 26 HA GLN 26 6.043 -2.459 2.213 147 1HB GLN 26 1HB GLN 26 7.165 -3.197 0.420 148 2HB GLN 26 2HB GLN 26 5.876 -2.828 -0.687 149 1HG GLN 26 2HG GLN 26 7.790 -1.710 -1.453 150 2HG GLN 26 1HG GLN 26 6.633 -0.497 -0.919 151 1HE2 GLN 26 1HE2 GLN 26 9.909 -0.942 1.503 152 2HE2 GLN 26 2HE2 GLN 26 9.008 -2.412 1.090 153 H VAL 27 H VAL 27 7.296 -0.350 2.331 154 HA VAL 27 HA VAL 27 5.507 2.035 2.190 155 HB VAL 27 HB VAL 27 5.080 0.954 4.278 156 1HG1 VAL 27 3HG2 VAL 27 7.390 -0.080 4.628 157 2HG1 VAL 27 1HG2 VAL 27 7.925 1.507 5.212 158 3HG1 VAL 27 2HG2 VAL 27 6.629 0.645 6.047 159 1HG2 VAL 27 2HG1 VAL 27 5.062 3.500 4.031 160 2HG2 VAL 27 3HG1 VAL 27 5.190 2.874 5.678 161 3HG2 VAL 27 1HG1 VAL 27 6.631 3.503 4.855 162 H LEU 28 H LEU 28 6.547 3.316 0.848 163 HA LEU 28 HA LEU 28 9.296 3.788 0.515 164 1HB LEU 28 1HB LEU 28 6.795 5.457 -0.006 165 2HB LEU 28 2HB LEU 28 8.398 6.081 -0.369 166 HG LEU 28 HG LEU 28 8.851 4.220 -1.908 167 1HD1 LEU 28 1HD2 LEU 28 5.973 3.399 -1.323 168 2HD1 LEU 28 2HD2 LEU 28 6.925 2.825 -2.708 169 3HD1 LEU 28 3HD2 LEU 28 7.435 2.419 -1.076 170 1HD2 LEU 28 2HD1 LEU 28 7.914 6.370 -2.698 171 2HD2 LEU 28 3HD1 LEU 28 7.320 5.021 -3.680 172 3HD2 LEU 28 1HD1 LEU 28 6.266 5.756 -2.452 173 H ASN 29 H ASN 29 7.094 6.031 2.160 174 HA ASN 29 HA ASN 29 9.141 6.659 4.226 175 1HB ASN 29 1HB ASN 29 7.244 8.657 2.896 176 2HB ASN 29 2HB ASN 29 8.112 8.949 4.400 177 1HD2 ASN 29 1HD2 ASN 29 10.274 9.078 0.974 178 2HD2 ASN 29 2HD2 ASN 29 8.665 8.350 0.885 179 HA PRO 30 HA PRO 30 6.328 4.926 7.126 180 1HB PRO 30 2HB PRO 30 6.594 7.581 8.583 181 2HB PRO 30 1HB PRO 30 6.533 5.937 9.273 182 1HG PRO 30 1HG PRO 30 8.941 7.106 8.849 183 2HG PRO 30 2HG PRO 30 8.695 5.401 8.389 184 1HD PRO 30 2HD PRO 30 8.774 7.826 6.596 185 2HD PRO 30 1HD PRO 30 9.380 6.165 6.327 186 H TYR 31 H TYR 31 5.363 8.389 6.808 187 HA TYR 31 HA TYR 31 2.501 7.823 6.883 188 1HB TYR 31 1HB TYR 31 4.097 10.323 6.246 189 2HB TYR 31 2HB TYR 31 2.346 10.262 6.330 190 HD1 TYR 31 HD2 TYR 31 1.193 9.507 8.469 191 HD2 TYR 31 HD1 TYR 31 5.400 10.479 8.329 192 HE1 TYR 31 HE2 TYR 31 1.265 9.558 10.952 193 HE2 TYR 31 HE1 TYR 31 5.450 10.552 10.825 194 HH TYR 31 HH TYR 31 2.525 9.951 12.764 195 H TYR 32 H TYR 32 3.007 6.101 5.199 196 HA TYR 32 HA TYR 32 1.477 6.655 2.870 197 1HB TYR 32 2HB TYR 32 3.913 7.600 2.301 198 2HB TYR 32 1HB TYR 32 4.349 5.917 2.159 199 HD1 TYR 32 HD2 TYR 32 1.920 8.519 0.976 200 HD2 TYR 32 HD1 TYR 32 3.891 4.797 0.029 201 HE1 TYR 32 HE2 TYR 32 0.600 8.347 -1.138 202 HE2 TYR 32 HE1 TYR 32 2.447 4.561 -1.991 203 HH TYR 32 HH TYR 32 0.835 5.492 -3.273 204 H SER 33 H SER 33 1.673 4.609 1.336 205 HA SER 33 HA SER 33 3.241 2.466 1.978 206 1HB SER 33 1HB SER 33 1.947 1.831 3.930 207 2HB SER 33 2HB SER 33 0.438 1.884 3.004 208 HG SER 33 HG SER 33 2.655 0.154 2.457 209 H GLN 34 H GLN 34 3.476 1.118 0.276 210 HA GLN 34 HA GLN 34 1.676 1.392 -2.091 211 1HB GLN 34 1HB GLN 34 3.860 2.810 -1.968 212 2HB GLN 34 2HB GLN 34 4.698 1.289 -2.255 213 1HG GLN 34 1HG GLN 34 3.558 1.047 -4.432 214 2HG GLN 34 2HG GLN 34 2.518 2.421 -4.079 215 1HE2 GLN 34 2HE2 GLN 34 5.068 4.814 -4.823 216 2HE2 GLN 34 1HE2 GLN 34 3.580 4.644 -3.884 217 H CYS 35 H CYS 35 1.464 -0.442 -3.421 218 HA CYS 35 HA CYS 35 2.076 -3.033 -2.090 219 1HB CYS 35 1HB CYS 35 -0.212 -2.364 -2.714 220 2HB CYS 35 2HB CYS 35 0.254 -2.377 -4.417 221 H LEU 36 H LEU 36 4.063 -3.892 -2.627 222 HA LEU 36 HA LEU 36 4.974 -3.924 -5.463 223 1HB LEU 36 1HB LEU 36 6.470 -2.872 -3.082 224 2HB LEU 36 2HB LEU 36 7.347 -3.785 -4.292 225 HG LEU 36 HG LEU 36 6.331 -2.237 -6.077 226 1HD1 LEU 36 2HD1 LEU 36 4.665 -1.076 -4.609 227 2HD1 LEU 36 3HD1 LEU 36 5.996 -0.426 -3.636 228 3HD1 LEU 36 1HD1 LEU 36 5.815 0.030 -5.350 229 1HD2 LEU 36 3HD2 LEU 36 8.723 -2.279 -5.393 230 2HD2 LEU 36 1HD2 LEU 36 8.152 -0.667 -5.849 231 3HD2 LEU 36 2HD2 LEU 36 8.365 -1.079 -4.132 No H/Q in entry = 231 Start of MODEL 12 1 1H THR 1 2H THR 1 -1.517 -9.521 -11.688 2 2H THR 1 3H THR 1 -0.694 -10.170 -10.403 3 3H THR 1 1H THR 1 -2.013 -10.934 -10.986 4 HA THR 1 HA THR 1 -3.469 -9.257 -10.163 5 HB THR 1 HB THR 1 -2.869 -9.251 -7.680 6 HG1 THR 1 HG1 THR 1 -0.979 -10.338 -7.155 7 1HG2 THR 1 3HG2 THR 1 -2.692 -11.957 -9.102 8 2HG2 THR 1 1HG2 THR 1 -3.088 -11.686 -7.399 9 3HG2 THR 1 2HG2 THR 1 -4.196 -11.114 -8.654 10 H GLN 2 H GLN 2 -0.736 -8.074 -8.179 11 HA GLN 2 HA GLN 2 -1.207 -5.287 -8.930 12 1HB GLN 2 1HB GLN 2 0.838 -6.705 -7.186 13 2HB GLN 2 2HB GLN 2 0.926 -4.974 -7.515 14 1HG GLN 2 1HG GLN 2 -1.519 -6.332 -6.334 15 2HG GLN 2 2HG GLN 2 -0.272 -5.524 -5.390 16 1HE2 GLN 2 2HE2 GLN 2 -3.032 -3.214 -7.233 17 2HE2 GLN 2 1HE2 GLN 2 -3.120 -4.981 -7.405 18 H SER 3 H SER 3 -1.106 -5.982 -11.193 19 HA SER 3 HA SER 3 1.353 -6.248 -12.636 20 1HB SER 3 1HB SER 3 -1.223 -5.132 -13.796 21 2HB SER 3 2HB SER 3 0.011 -6.134 -14.561 22 HG SER 3 HG SER 3 -1.947 -6.885 -12.629 23 H HIS 4 H HIS 4 -0.495 -3.515 -11.493 24 HA HIS 4 HA HIS 4 1.820 -1.719 -11.927 25 1HB HIS 4 1HB HIS 4 -1.122 -0.918 -12.043 26 2HB HIS 4 2HB HIS 4 0.251 0.188 -12.052 27 HD2 HIS 4 HD2 HIS 4 1.295 0.730 -14.505 28 HE1 HIS 4 HE1 HIS 4 -0.799 -2.259 -16.660 29 HE2 HIS 4 HE2 HIS 4 0.767 -0.264 -16.887 30 H ALA 5 H ALA 5 2.430 -0.631 -10.049 31 HA ALA 5 HA ALA 5 1.740 -1.962 -7.598 32 1HB ALA 5 2HB ALA 5 4.023 -1.355 -8.242 33 2HB ALA 5 3HB ALA 5 3.623 0.370 -8.090 34 3HB ALA 5 1HB ALA 5 3.576 -0.691 -6.667 35 H GLY 6 H GLY 6 -0.340 -1.499 -6.900 36 1HA GLY 6 1HA GLY 6 -1.262 1.264 -6.339 37 2HA GLY 6 2HA GLY 6 -2.166 -0.243 -6.163 38 H GLN 7 H GLN 7 -2.768 1.078 -4.170 39 HA GLN 7 HA GLN 7 -0.839 0.887 -1.917 40 1HB GLN 7 1HB GLN 7 -2.037 3.068 -2.680 41 2HB GLN 7 2HB GLN 7 -3.469 2.358 -1.931 42 1HG GLN 7 2HG GLN 7 -2.130 2.199 0.232 43 2HG GLN 7 1HG GLN 7 -0.800 3.034 -0.604 44 1HE2 GLN 7 2HE2 GLN 7 -2.705 5.529 1.324 45 2HE2 GLN 7 1HE2 GLN 7 -1.760 4.091 1.740 46 H CYS 8 H CYS 8 -1.490 0.118 0.138 47 HA CYS 8 HA CYS 8 -3.592 -2.002 0.216 48 1HB CYS 8 2HB CYS 8 -1.503 -1.290 2.304 49 2HB CYS 8 1HB CYS 8 -2.470 -2.763 2.209 50 H GLY 9 H GLY 9 -2.740 0.946 1.903 51 1HA GLY 9 1HA GLY 9 -4.693 2.170 3.202 52 2HA GLY 9 2HA GLY 9 -4.875 0.595 3.979 53 H GLY 10 H GLY 10 -2.953 3.480 3.848 54 1HA GLY 10 1HA GLY 10 -0.610 2.207 5.254 55 2HA GLY 10 2HA GLY 10 -0.577 3.636 4.218 56 H ILE 11 H ILE 11 0.838 4.033 6.279 57 HA ILE 11 HA ILE 11 -0.327 4.957 8.699 58 HB ILE 11 HB ILE 11 2.131 6.012 7.264 59 1HG1 ILE 11 2HG1 ILE 11 1.812 3.845 9.401 60 2HG1 ILE 11 1HG1 ILE 11 2.290 3.597 7.717 61 1HG2 ILE 11 2HG2 ILE 11 1.237 7.570 9.039 62 2HG2 ILE 11 3HG2 ILE 11 1.372 6.250 10.215 63 3HG2 ILE 11 1HG2 ILE 11 2.816 6.925 9.428 64 1HD1 ILE 11 2HD1 ILE 11 4.327 5.036 8.140 65 2HD1 ILE 11 3HD1 ILE 11 3.917 4.985 9.871 66 3HD1 ILE 11 1HD1 ILE 11 4.282 3.489 9.002 67 H GLY 12 H GLY 12 -1.556 6.701 9.213 68 1HA GLY 12 1HA GLY 12 -2.796 8.646 9.014 69 2HA GLY 12 2HA GLY 12 -1.866 9.139 7.605 70 H TYR 13 H TYR 13 -2.341 7.286 5.711 71 HA TYR 13 HA TYR 13 -5.129 7.651 4.945 72 1HB TYR 13 1HB TYR 13 -2.977 7.632 3.492 73 2HB TYR 13 2HB TYR 13 -3.185 5.892 3.455 74 HD1 TYR 13 HD2 TYR 13 -6.410 6.024 3.289 75 HD2 TYR 13 HD1 TYR 13 -3.209 8.049 1.168 76 HE1 TYR 13 HE2 TYR 13 -7.866 6.290 1.327 77 HE2 TYR 13 HE1 TYR 13 -4.712 8.290 -0.801 78 HH TYR 13 HH TYR 13 -8.011 6.958 -0.829 79 H SER 14 H SER 14 -5.644 6.490 7.094 80 HA SER 14 HA SER 14 -5.910 3.553 7.000 81 1HB SER 14 2HB SER 14 -5.364 4.780 9.086 82 2HB SER 14 1HB SER 14 -6.955 5.568 9.020 83 HG SER 14 HG SER 14 -7.117 3.685 10.293 84 H GLY 15 H GLY 15 -7.192 3.483 5.006 85 1HA GLY 15 2HA GLY 15 -9.962 3.100 5.506 86 2HA GLY 15 1HA GLY 15 -9.768 4.671 4.700 87 HA PRO 16 HA PRO 16 -10.451 1.149 1.666 88 1HB PRO 16 2HB PRO 16 -12.318 3.279 0.593 89 2HB PRO 16 1HB PRO 16 -12.525 1.508 0.602 90 1HG PRO 16 2HG PRO 16 -13.763 2.980 2.492 91 2HG PRO 16 1HG PRO 16 -12.856 1.530 3.011 92 1HD PRO 16 1HD PRO 16 -11.889 4.418 3.024 93 2HD PRO 16 2HD PRO 16 -11.875 3.222 4.346 94 H THR 17 H THR 17 -8.119 1.880 1.247 95 HA THR 17 HA THR 17 -8.016 2.401 -1.702 96 HB THR 17 HB THR 17 -7.168 4.395 -0.704 97 HG1 THR 17 HG1 THR 17 -4.951 4.188 -1.586 98 1HG2 THR 17 2HG2 THR 17 -6.336 3.509 1.492 99 2HG2 THR 17 3HG2 THR 17 -4.957 2.779 0.646 100 3HG2 THR 17 1HG2 THR 17 -5.173 4.530 0.640 101 H VAL 18 H VAL 18 -8.482 0.141 -1.490 102 HA VAL 18 HA VAL 18 -6.332 -1.631 -0.496 103 HB VAL 18 HB VAL 18 -8.534 -1.741 0.538 104 1HG1 VAL 18 2HG1 VAL 18 -9.961 -1.292 -1.498 105 2HG1 VAL 18 3HG1 VAL 18 -9.605 -2.940 -2.051 106 3HG1 VAL 18 1HG1 VAL 18 -10.473 -2.683 -0.535 107 1HG2 VAL 18 3HG2 VAL 18 -7.055 -3.699 0.597 108 2HG2 VAL 18 1HG2 VAL 18 -8.759 -4.180 0.541 109 3HG2 VAL 18 2HG2 VAL 18 -7.763 -4.304 -0.917 110 H CYS 19 H CYS 19 -5.107 -2.762 -1.786 111 HA CYS 19 HA CYS 19 -5.425 -3.004 -4.642 112 1HB CYS 19 1HB CYS 19 -3.305 -4.268 -4.451 113 2HB CYS 19 2HB CYS 19 -3.249 -2.766 -3.548 114 H ALA 20 H ALA 20 -5.037 -5.026 -5.784 115 HA ALA 20 HA ALA 20 -6.348 -7.507 -4.748 116 1HB ALA 20 2HB ALA 20 -6.662 -6.998 -7.144 117 2HB ALA 20 3HB ALA 20 -4.903 -6.978 -7.385 118 3HB ALA 20 1HB ALA 20 -5.725 -8.484 -6.918 119 H SER 21 H SER 21 -5.033 -9.442 -4.443 120 HA SER 21 HA SER 21 -3.021 -9.131 -2.683 121 1HB SER 21 1HB SER 21 -3.358 -11.539 -4.494 122 2HB SER 21 2HB SER 21 -2.540 -11.530 -2.928 123 HG SER 21 HG SER 21 -4.574 -10.852 -1.999 124 H GLY 22 H GLY 22 -1.143 -8.072 -2.875 125 1HA GLY 22 1HA GLY 22 1.003 -8.883 -4.741 126 2HA GLY 22 2HA GLY 22 1.145 -7.895 -3.281 127 H THR 23 H THR 23 2.677 -8.933 -2.168 128 HA THR 23 HA THR 23 2.173 -11.674 -1.044 129 HB THR 23 HB THR 23 4.183 -11.640 -2.436 130 HG1 THR 23 HG1 THR 23 5.646 -12.150 -0.539 131 1HG2 THR 23 3HG2 THR 23 5.390 -9.554 -0.556 132 2HG2 THR 23 1HG2 THR 23 6.262 -10.519 -1.755 133 3HG2 THR 23 2HG2 THR 23 5.046 -9.395 -2.295 134 H THR 24 H THR 24 3.281 -8.358 -0.462 135 HA THR 24 HA THR 24 2.279 -8.436 2.300 136 HB THR 24 HB THR 24 4.217 -7.615 3.369 137 HG1 THR 24 HG1 THR 24 5.070 -7.030 0.917 138 1HG2 THR 24 2HG2 THR 24 4.146 -10.075 3.216 139 2HG2 THR 24 3HG2 THR 24 5.188 -10.019 1.772 140 3HG2 THR 24 1HG2 THR 24 5.811 -9.455 3.321 141 H CYS 25 H CYS 25 4.333 -5.831 1.985 142 HA CYS 25 HA CYS 25 2.956 -4.020 0.499 143 1HB CYS 25 1HB CYS 25 1.174 -4.361 2.417 144 2HB CYS 25 2HB CYS 25 2.237 -3.324 3.360 145 H GLN 26 H GLN 26 4.656 -2.859 -0.047 146 HA GLN 26 HA GLN 26 6.942 -2.246 1.744 147 1HB GLN 26 1HB GLN 26 7.404 -3.168 -0.473 148 2HB GLN 26 2HB GLN 26 6.422 -1.928 -1.252 149 1HG GLN 26 2HG GLN 26 8.810 -1.512 -1.542 150 2HG GLN 26 1HG GLN 26 7.974 -0.194 -0.702 151 1HE2 GLN 26 2HE2 GLN 26 10.130 -2.285 1.998 152 2HE2 GLN 26 1HE2 GLN 26 9.059 -3.223 0.940 153 H VAL 27 H VAL 27 7.778 0.023 1.966 154 HA VAL 27 HA VAL 27 5.623 2.087 1.753 155 HB VAL 27 HB VAL 27 5.791 1.013 4.008 156 1HG1 VAL 27 3HG2 VAL 27 8.283 0.859 4.145 157 2HG1 VAL 27 1HG2 VAL 27 8.352 2.631 4.314 158 3HG1 VAL 27 2HG2 VAL 27 7.531 1.647 5.542 159 1HG2 VAL 27 1HG1 VAL 27 5.912 3.970 3.498 160 2HG2 VAL 27 2HG1 VAL 27 4.553 2.935 3.881 161 3HG2 VAL 27 3HG1 VAL 27 5.720 3.334 5.144 162 H LEU 28 H LEU 28 6.187 3.755 0.581 163 HA LEU 28 HA LEU 28 8.986 4.303 -0.130 164 1HB LEU 28 1HB LEU 28 6.349 5.515 -1.056 165 2HB LEU 28 2HB LEU 28 7.936 6.080 -1.566 166 HG LEU 28 HG LEU 28 8.473 3.843 -2.495 167 1HD1 LEU 28 3HD1 LEU 28 5.557 3.243 -1.835 168 2HD1 LEU 28 1HD1 LEU 28 6.524 2.321 -3.004 169 3HD1 LEU 28 2HD1 LEU 28 6.989 2.321 -1.311 170 1HD2 LEU 28 3HD2 LEU 28 7.623 5.693 -3.898 171 2HD2 LEU 28 1HD2 LEU 28 7.043 4.133 -4.496 172 3HD2 LEU 28 2HD2 LEU 28 5.951 5.187 -3.574 173 H ASN 29 H ASN 29 6.388 6.292 1.256 174 HA ASN 29 HA ASN 29 8.230 8.280 2.504 175 1HB ASN 29 1HB ASN 29 5.215 7.830 2.713 176 2HB ASN 29 2HB ASN 29 6.072 9.251 3.331 177 1HD2 ASN 29 1HD2 ASN 29 4.511 9.985 0.008 178 2HD2 ASN 29 2HD2 ASN 29 3.799 9.128 1.390 179 HA PRO 30 HA PRO 30 6.801 6.152 6.533 180 1HB PRO 30 2HB PRO 30 5.879 8.838 7.496 181 2HB PRO 30 1HB PRO 30 6.847 7.608 8.337 182 1HG PRO 30 2HG PRO 30 7.992 9.911 7.406 183 2HG PRO 30 1HG PRO 30 8.854 8.354 7.322 184 1HD PRO 30 2HD PRO 30 7.296 9.732 5.120 185 2HD PRO 30 1HD PRO 30 8.926 9.001 5.042 186 H TYR 31 H TYR 31 4.928 9.055 5.482 187 HA TYR 31 HA TYR 31 2.377 7.739 5.682 188 1HB TYR 31 1HB TYR 31 3.181 10.456 4.615 189 2HB TYR 31 2HB TYR 31 1.528 9.896 4.746 190 HD1 TYR 31 HD1 TYR 31 0.415 9.519 6.891 191 HD2 TYR 31 HD2 TYR 31 4.456 11.032 6.710 192 HE1 TYR 31 HE1 TYR 31 0.305 10.108 9.305 193 HE2 TYR 31 HE2 TYR 31 4.323 11.629 9.132 194 HH TYR 31 HH TYR 31 1.398 10.981 11.059 195 H TYR 32 H TYR 32 3.029 5.955 4.244 196 HA TYR 32 HA TYR 32 0.635 5.860 3.265 197 1HB TYR 32 2HB TYR 32 0.400 5.529 0.943 198 2HB TYR 32 1HB TYR 32 0.953 7.119 1.319 199 HD1 TYR 32 HD2 TYR 32 2.924 3.868 0.438 200 HD2 TYR 32 HD1 TYR 32 2.119 7.997 -0.525 201 HE1 TYR 32 HE2 TYR 32 2.812 3.319 -1.977 202 HE2 TYR 32 HE1 TYR 32 2.525 7.479 -2.921 203 HH TYR 32 HH TYR 32 2.692 5.790 -4.481 204 H SER 33 H SER 33 0.907 3.590 1.265 205 HA SER 33 HA SER 33 2.843 1.800 2.163 206 1HB SER 33 1HB SER 33 1.264 1.592 4.203 207 2HB SER 33 2HB SER 33 0.183 0.694 3.132 208 HG SER 33 HG SER 33 1.691 -0.694 4.183 209 H GLN 34 H GLN 34 3.321 0.752 0.331 210 HA GLN 34 HA GLN 34 1.431 0.545 -1.904 211 1HB GLN 34 1HB GLN 34 3.901 1.570 -1.903 212 2HB GLN 34 2HB GLN 34 4.394 -0.081 -2.084 213 1HG GLN 34 1HG GLN 34 3.047 -0.340 -4.127 214 2HG GLN 34 2HG GLN 34 2.334 1.259 -3.925 215 1HE2 GLN 34 2HE2 GLN 34 5.139 2.937 -5.290 216 2HE2 GLN 34 1HE2 GLN 34 3.650 3.192 -4.370 217 H CYS 35 H CYS 35 0.732 -1.404 -2.738 218 HA CYS 35 HA CYS 35 1.012 -3.797 -1.141 219 1HB CYS 35 1HB CYS 35 -1.049 -2.872 -2.218 220 2HB CYS 35 2HB CYS 35 -0.389 -3.325 -3.779 221 H LEU 36 H LEU 36 3.463 -3.798 -1.607 222 HA LEU 36 HA LEU 36 4.055 -5.889 -3.698 223 1HB LEU 36 1HB LEU 36 5.765 -3.936 -2.130 224 2HB LEU 36 2HB LEU 36 6.453 -5.434 -2.759 225 HG LEU 36 HG LEU 36 5.827 -4.892 -5.039 226 1HD1 LEU 36 3HD1 LEU 36 4.557 -2.392 -3.846 227 2HD1 LEU 36 1HD1 LEU 36 4.930 -2.570 -5.577 228 3HD1 LEU 36 2HD1 LEU 36 3.781 -3.660 -4.825 229 1HD2 LEU 36 3HD2 LEU 36 8.002 -4.088 -4.226 230 2HD2 LEU 36 1HD2 LEU 36 7.324 -2.974 -5.422 231 3HD2 LEU 36 2HD2 LEU 36 7.264 -2.560 -3.696 No H/Q in entry = 231 Start of MODEL 13 1 1H THR 1 2H THR 1 -9.835 -8.812 -6.087 2 2H THR 1 3H THR 1 -8.265 -8.998 -6.552 3 3H THR 1 1H THR 1 -8.673 -9.365 -5.011 4 HA THR 1 HA THR 1 -8.838 -7.037 -4.507 5 HB THR 1 HB THR 1 -6.583 -6.223 -5.522 6 HG1 THR 1 HG1 THR 1 -5.776 -7.516 -7.089 7 1HG2 THR 1 1HG2 THR 1 -6.644 -7.579 -3.359 8 2HG2 THR 1 2HG2 THR 1 -6.427 -9.048 -4.337 9 3HG2 THR 1 3HG2 THR 1 -5.190 -7.793 -4.335 10 H GLN 2 H GLN 2 -8.494 -4.695 -5.394 11 HA GLN 2 HA GLN 2 -9.583 -4.308 -8.164 12 1HB GLN 2 2HB GLN 2 -11.133 -3.522 -6.529 13 2HB GLN 2 1HB GLN 2 -9.892 -2.660 -5.617 14 1HG GLN 2 1HG GLN 2 -11.475 -1.267 -7.069 15 2HG GLN 2 2HG GLN 2 -9.769 -0.906 -7.211 16 1HE2 GLN 2 2HE2 GLN 2 -9.653 -1.763 -10.644 17 2HE2 GLN 2 1HE2 GLN 2 -8.730 -1.237 -9.219 18 H SER 3 H SER 3 -7.225 -4.916 -8.555 19 HA SER 3 HA SER 3 -5.208 -3.999 -7.131 20 1HB SER 3 1HB SER 3 -5.046 -5.034 -9.962 21 2HB SER 3 2HB SER 3 -3.666 -4.887 -8.864 22 HG SER 3 HG SER 3 -4.833 -6.124 -7.326 23 H HIS 4 H HIS 4 -5.323 -1.726 -6.724 24 HA HIS 4 HA HIS 4 -4.220 0.279 -8.404 25 1HB HIS 4 1HB HIS 4 -4.056 -0.236 -5.410 26 2HB HIS 4 2HB HIS 4 -3.304 1.160 -6.160 27 HD2 HIS 4 HD2 HIS 4 -4.826 3.320 -6.298 28 HE1 HIS 4 HE1 HIS 4 -8.589 1.424 -5.858 29 HE2 HIS 4 HE2 HIS 4 -7.424 3.682 -6.043 30 H ALA 5 H ALA 5 -2.462 -0.174 -9.695 31 HA ALA 5 HA ALA 5 -0.241 -1.833 -8.890 32 1HB ALA 5 2HB ALA 5 -1.103 -1.710 -11.184 33 2HB ALA 5 3HB ALA 5 -0.573 -0.021 -11.310 34 3HB ALA 5 1HB ALA 5 0.623 -1.319 -11.117 35 H GLY 6 H GLY 6 -0.021 -0.284 -6.837 36 1HA GLY 6 1HA GLY 6 2.638 0.721 -6.939 37 2HA GLY 6 2HA GLY 6 1.564 2.117 -7.042 38 H GLN 7 H GLN 7 -0.054 2.352 -5.204 39 HA GLN 7 HA GLN 7 1.323 2.132 -2.660 40 1HB GLN 7 1HB GLN 7 -0.002 4.085 -3.322 41 2HB GLN 7 2HB GLN 7 -1.465 3.111 -3.307 42 1HG GLN 7 2HG GLN 7 -1.184 2.705 -0.864 43 2HG GLN 7 1HG GLN 7 0.364 3.567 -0.906 44 1HE2 GLN 7 2HE2 GLN 7 -1.770 6.106 0.417 45 2HE2 GLN 7 1HE2 GLN 7 -0.790 4.735 0.948 46 H CYS 8 H CYS 8 0.906 0.806 -0.894 47 HA CYS 8 HA CYS 8 -0.732 -1.653 -1.278 48 1HB CYS 8 1HB CYS 8 1.518 -1.939 -0.370 49 2HB CYS 8 2HB CYS 8 1.178 -0.790 0.928 50 H GLY 9 H GLY 9 -0.431 0.947 1.106 51 1HA GLY 9 1HA GLY 9 -3.107 1.572 1.755 52 2HA GLY 9 2HA GLY 9 -2.720 0.122 2.688 53 H GLY 10 H GLY 10 -2.062 3.558 2.342 54 1HA GLY 10 1HA GLY 10 0.231 3.630 4.171 55 2HA GLY 10 2HA GLY 10 -0.629 5.020 3.498 56 H ILE 11 H ILE 11 0.359 4.670 6.248 57 HA ILE 11 HA ILE 11 -1.748 4.315 8.129 58 HB ILE 11 HB ILE 11 0.607 6.229 8.196 59 1HG1 ILE 11 2HG1 ILE 11 0.223 3.433 9.386 60 2HG1 ILE 11 1HG1 ILE 11 1.247 3.841 8.010 61 1HG2 ILE 11 2HG2 ILE 11 -1.192 6.934 9.786 62 2HG2 ILE 11 3HG2 ILE 11 -1.146 5.315 10.514 63 3HG2 ILE 11 1HG2 ILE 11 0.259 6.398 10.604 64 1HD1 ILE 11 2HD1 ILE 11 2.538 5.415 9.568 65 2HD1 ILE 11 3HD1 ILE 11 1.680 4.619 10.906 66 3HD1 ILE 11 1HD1 ILE 11 2.727 3.673 9.836 67 H GLY 12 H GLY 12 -3.604 5.414 8.466 68 1HA GLY 12 2HA GLY 12 -5.146 7.227 8.404 69 2HA GLY 12 1HA GLY 12 -4.101 8.149 7.332 70 H TYR 13 H TYR 13 -3.665 6.609 5.147 71 HA TYR 13 HA TYR 13 -6.301 6.201 3.913 72 1HB TYR 13 1HB TYR 13 -4.373 7.277 2.774 73 2HB TYR 13 2HB TYR 13 -3.595 5.702 2.675 74 HD1 TYR 13 HD2 TYR 13 -6.953 4.778 2.110 75 HD2 TYR 13 HD1 TYR 13 -3.844 7.177 0.284 76 HE1 TYR 13 HE2 TYR 13 -7.963 4.406 -0.104 77 HE2 TYR 13 HE1 TYR 13 -4.934 6.857 -1.931 78 HH TYR 13 HH TYR 13 -7.693 4.691 -2.416 79 H SER 14 H SER 14 -6.526 4.597 5.820 80 HA SER 14 HA SER 14 -5.896 1.769 5.148 81 1HB SER 14 2HB SER 14 -5.830 2.582 7.491 82 2HB SER 14 1HB SER 14 -7.566 2.948 7.397 83 HG SER 14 HG SER 14 -7.244 0.833 8.239 84 H GLY 15 H GLY 15 -6.966 2.012 3.021 85 1HA GLY 15 2HA GLY 15 -9.723 1.090 2.953 86 2HA GLY 15 1HA GLY 15 -9.607 2.815 2.576 87 HA PRO 16 HA PRO 16 -9.498 0.419 -1.395 88 1HB PRO 16 1HB PRO 16 -10.613 3.111 -2.223 89 2HB PRO 16 2HB PRO 16 -10.995 1.497 -2.881 90 1HG PRO 16 2HG PRO 16 -12.639 2.574 -1.033 91 2HG PRO 16 1HG PRO 16 -12.099 0.888 -0.785 92 1HD PRO 16 1HD PRO 16 -10.946 3.414 0.462 93 2HD PRO 16 2HD PRO 16 -11.429 1.888 1.256 94 H THR 17 H THR 17 -7.029 0.764 -0.918 95 HA THR 17 HA THR 17 -6.165 1.485 -3.633 96 HB THR 17 HB THR 17 -5.449 3.474 -2.526 97 HG1 THR 17 HG1 THR 17 -3.335 1.675 -3.051 98 1HG2 THR 17 2HG2 THR 17 -5.188 2.653 -0.177 99 2HG2 THR 17 3HG2 THR 17 -3.759 1.720 -0.672 100 3HG2 THR 17 1HG2 THR 17 -3.750 3.491 -0.772 101 H VAL 18 H VAL 18 -6.831 -0.944 -2.921 102 HA VAL 18 HA VAL 18 -4.521 -2.458 -1.932 103 HB VAL 18 HB VAL 18 -6.767 -2.973 -1.165 104 1HG1 VAL 18 2HG1 VAL 18 -8.000 -2.629 -3.361 105 2HG1 VAL 18 3HG1 VAL 18 -7.336 -4.188 -3.889 106 3HG1 VAL 18 1HG1 VAL 18 -8.414 -4.114 -2.489 107 1HG2 VAL 18 3HG2 VAL 18 -4.984 -4.660 -1.040 108 2HG2 VAL 18 1HG2 VAL 18 -6.562 -5.420 -1.299 109 3HG2 VAL 18 2HG2 VAL 18 -5.420 -5.276 -2.645 110 H CYS 19 H CYS 19 -2.967 -3.236 -3.154 111 HA CYS 19 HA CYS 19 -2.982 -3.231 -6.031 112 1HB CYS 19 1HB CYS 19 -0.638 -3.792 -5.778 113 2HB CYS 19 2HB CYS 19 -1.093 -2.583 -4.590 114 H ALA 20 H ALA 20 -1.122 -5.735 -6.009 115 HA ALA 20 HA ALA 20 -3.134 -7.562 -7.133 116 1HB ALA 20 2HB ALA 20 -1.043 -6.963 -8.309 117 2HB ALA 20 3HB ALA 20 -0.093 -7.707 -7.015 118 3HB ALA 20 1HB ALA 20 -1.160 -8.702 -8.030 119 H SER 21 H SER 21 -2.132 -10.016 -6.787 120 HA SER 21 HA SER 21 -2.517 -10.738 -3.924 121 1HB SER 21 1HB SER 21 -3.548 -12.139 -5.686 122 2HB SER 21 2HB SER 21 -1.931 -12.539 -6.305 123 HG SER 21 HG SER 21 -2.665 -14.124 -4.771 124 H GLY 22 H GLY 22 -0.820 -12.616 -3.349 125 1HA GLY 22 2HA GLY 22 1.494 -13.171 -3.000 126 2HA GLY 22 1HA GLY 22 2.008 -11.628 -3.672 127 H THR 23 H THR 23 0.521 -9.824 -2.230 128 HA THR 23 HA THR 23 0.130 -8.747 -0.287 129 HB THR 23 HB THR 23 0.559 -11.301 1.295 130 HG1 THR 23 HG1 THR 23 -1.596 -11.752 0.840 131 1HG2 THR 23 3HG2 THR 23 -1.409 -8.976 1.618 132 2HG2 THR 23 1HG2 THR 23 -1.292 -10.395 2.676 133 3HG2 THR 23 2HG2 THR 23 0.021 -9.222 2.630 134 H THR 24 H THR 24 2.713 -8.469 -1.262 135 HA THR 24 HA THR 24 4.353 -7.978 1.178 136 HB THR 24 HB THR 24 6.055 -7.163 -0.341 137 HG1 THR 24 HG1 THR 24 5.770 -7.056 -2.421 138 1HG2 THR 24 2HG2 THR 24 6.025 -9.589 0.225 139 2HG2 THR 24 3HG2 THR 24 5.053 -9.892 -1.235 140 3HG2 THR 24 1HG2 THR 24 6.704 -9.257 -1.380 141 H CYS 25 H CYS 25 5.251 -5.716 1.383 142 HA CYS 25 HA CYS 25 3.482 -3.503 0.811 143 1HB CYS 25 1HB CYS 25 1.979 -5.150 2.120 144 2HB CYS 25 2HB CYS 25 2.994 -4.827 3.505 145 H GLN 26 H GLN 26 5.571 -2.569 0.601 146 HA GLN 26 HA GLN 26 7.369 -2.255 2.916 147 1HB GLN 26 1HB GLN 26 8.727 -2.783 1.211 148 2HB GLN 26 2HB GLN 26 7.550 -2.395 0.008 149 1HG GLN 26 2HG GLN 26 9.412 -1.120 -0.507 150 2HG GLN 26 1HG GLN 26 8.135 -0.022 0.007 151 1HE2 GLN 26 1HE2 GLN 26 11.157 -0.443 2.745 152 2HE2 GLN 26 2HE2 GLN 26 10.390 -1.923 2.138 153 H VAL 27 H VAL 27 8.424 -0.074 3.337 154 HA VAL 27 HA VAL 27 6.418 2.158 3.260 155 HB VAL 27 HB VAL 27 6.162 1.140 5.335 156 1HG1 VAL 27 1HG2 VAL 27 9.170 1.305 5.808 157 2HG1 VAL 27 2HG2 VAL 27 7.957 0.880 7.027 158 3HG1 VAL 27 3HG2 VAL 27 8.194 -0.171 5.626 159 1HG2 VAL 27 3HG1 VAL 27 6.171 3.613 5.297 160 2HG2 VAL 27 1HG1 VAL 27 6.625 2.934 6.866 161 3HG2 VAL 27 2HG1 VAL 27 7.871 3.616 5.815 162 H LEU 28 H LEU 28 7.281 3.509 1.778 163 HA LEU 28 HA LEU 28 10.052 4.382 1.719 164 1HB LEU 28 1HB LEU 28 7.484 5.539 0.533 165 2HB LEU 28 2HB LEU 28 9.059 6.305 0.366 166 HG LEU 28 HG LEU 28 9.958 4.253 -0.730 167 1HD1 LEU 28 3HD1 LEU 28 7.030 3.401 -0.653 168 2HD1 LEU 28 1HD1 LEU 28 8.242 2.688 -1.740 169 3HD1 LEU 28 2HD1 LEU 28 8.420 2.510 -0.001 170 1HD2 LEU 28 3HD2 LEU 28 9.187 6.217 -2.026 171 2HD2 LEU 28 1HD2 LEU 28 8.848 4.715 -2.897 172 3HD2 LEU 28 2HD2 LEU 28 7.536 5.562 -2.057 173 H ASN 29 H ASN 29 7.112 5.782 3.085 174 HA ASN 29 HA ASN 29 8.563 6.823 5.356 175 1HB ASN 29 1HB ASN 29 7.760 9.153 5.214 176 2HB ASN 29 2HB ASN 29 8.767 8.763 3.839 177 1HD2 ASN 29 1HD2 ASN 29 6.074 9.214 1.530 178 2HD2 ASN 29 2HD2 ASN 29 7.717 8.586 1.711 179 HA PRO 30 HA PRO 30 5.372 5.037 7.453 180 1HB PRO 30 2HB PRO 30 4.443 6.950 9.378 181 2HB PRO 30 1HB PRO 30 5.757 5.758 9.526 182 1HG PRO 30 1HG PRO 30 5.925 8.663 8.758 183 2HG PRO 30 2HG PRO 30 7.053 7.712 9.760 184 1HD PRO 30 2HD PRO 30 7.646 8.312 7.217 185 2HD PRO 30 1HD PRO 30 8.037 6.688 7.848 186 H TYR 31 H TYR 31 4.142 8.232 6.419 187 HA TYR 31 HA TYR 31 1.360 7.319 6.364 188 1HB TYR 31 2HB TYR 31 2.630 9.892 5.404 189 2HB TYR 31 1HB TYR 31 0.906 9.583 5.562 190 HD1 TYR 31 HD1 TYR 31 -0.118 9.152 7.845 191 HD2 TYR 31 HD2 TYR 31 3.979 10.451 7.380 192 HE1 TYR 31 HE1 TYR 31 0.062 9.500 10.303 193 HE2 TYR 31 HE2 TYR 31 4.150 10.750 9.852 194 HH TYR 31 HH TYR 31 1.443 9.974 12.025 195 H TYR 32 H TYR 32 3.817 6.632 4.190 196 HA TYR 32 HA TYR 32 1.794 5.950 2.127 197 1HB TYR 32 1HB TYR 32 3.204 8.091 1.613 198 2HB TYR 32 2HB TYR 32 4.503 6.966 1.291 199 HD1 TYR 32 HD2 TYR 32 2.026 4.883 0.156 200 HD2 TYR 32 HD1 TYR 32 3.503 8.826 -0.834 201 HE1 TYR 32 HE2 TYR 32 2.384 4.169 -2.168 202 HE2 TYR 32 HE1 TYR 32 3.760 8.084 -3.211 203 HH TYR 32 HH TYR 32 3.129 4.805 -4.258 204 H SER 33 H SER 33 1.804 3.780 2.906 205 HA SER 33 HA SER 33 4.230 2.163 2.468 206 1HB SER 33 1HB SER 33 2.944 1.478 4.329 207 2HB SER 33 2HB SER 33 1.463 1.332 3.366 208 HG SER 33 HG SER 33 3.851 -0.183 2.911 209 H GLN 34 H GLN 34 4.718 1.021 0.726 210 HA GLN 34 HA GLN 34 3.036 1.172 -1.731 211 1HB GLN 34 1HB GLN 34 4.991 2.740 -1.541 212 2HB GLN 34 2HB GLN 34 6.055 1.321 -1.515 213 1HG GLN 34 1HG GLN 34 5.157 0.708 -3.801 214 2HG GLN 34 2HG GLN 34 4.158 2.163 -3.772 215 1HE2 GLN 34 2HE2 GLN 34 6.898 4.279 -4.580 216 2HE2 GLN 34 1HE2 GLN 34 5.245 4.327 -3.965 217 H CYS 35 H CYS 35 2.854 -0.610 -3.028 218 HA CYS 35 HA CYS 35 3.208 -3.198 -1.755 219 1HB CYS 35 1HB CYS 35 1.178 -2.472 -2.871 220 2HB CYS 35 2HB CYS 35 2.028 -2.353 -4.418 221 H LEU 36 H LEU 36 5.631 -2.866 -1.759 222 HA LEU 36 HA LEU 36 6.810 -4.554 -3.930 223 1HB LEU 36 1HB LEU 36 8.177 -2.451 -2.197 224 2HB LEU 36 2HB LEU 36 9.017 -3.745 -3.048 225 HG LEU 36 HG LEU 36 8.138 -2.902 -5.217 226 1HD1 LEU 36 1HD2 LEU 36 7.174 -0.584 -3.478 227 2HD1 LEU 36 2HD2 LEU 36 7.415 -0.456 -5.233 228 3HD1 LEU 36 3HD2 LEU 36 6.204 -1.560 -4.605 229 1HD2 LEU 36 1HD1 LEU 36 10.417 -2.338 -4.351 230 2HD2 LEU 36 2HD1 LEU 36 9.741 -1.053 -5.362 231 3HD2 LEU 36 3HD1 LEU 36 9.750 -0.875 -3.596 No H/Q in entry = 231 Start of MODEL 14 1 1H THR 1 3H THR 1 -1.367 -13.348 -10.740 2 2H THR 1 1H THR 1 -2.006 -13.470 -9.226 3 3H THR 1 2H THR 1 -3.021 -13.308 -10.503 4 HA THR 1 HA THR 1 -2.353 -11.050 -10.791 5 HB THR 1 HB THR 1 -2.678 -10.215 -8.266 6 HG1 THR 1 HG1 THR 1 -3.086 -11.786 -6.890 7 1HG2 THR 1 3HG2 THR 1 -4.854 -11.878 -9.613 8 2HG2 THR 1 1HG2 THR 1 -5.063 -10.695 -8.319 9 3HG2 THR 1 2HG2 THR 1 -4.525 -10.159 -9.907 10 H GLN 2 H GLN 2 -1.204 -9.173 -10.009 11 HA GLN 2 HA GLN 2 0.922 -9.090 -8.226 12 1HB GLN 2 2HB GLN 2 2.089 -10.393 -10.057 13 2HB GLN 2 1HB GLN 2 1.851 -9.038 -11.152 14 1HG GLN 2 1HG GLN 2 3.293 -8.809 -8.454 15 2HG GLN 2 2HG GLN 2 4.129 -9.345 -9.914 16 1HE2 GLN 2 2HE2 GLN 2 3.968 -5.474 -9.312 17 2HE2 GLN 2 1HE2 GLN 2 3.875 -6.664 -8.051 18 H SER 3 H SER 3 1.716 -6.733 -8.128 19 HA SER 3 HA SER 3 -0.465 -4.949 -9.135 20 1HB SER 3 1HB SER 3 0.989 -5.107 -6.492 21 2HB SER 3 2HB SER 3 -0.222 -3.875 -6.903 22 HG SER 3 HG SER 3 -0.590 -6.613 -6.366 23 H HIS 4 H HIS 4 -0.030 -2.877 -9.805 24 HA HIS 4 HA HIS 4 2.839 -2.049 -10.065 25 1HB HIS 4 1HB HIS 4 0.430 -1.023 -11.588 26 2HB HIS 4 2HB HIS 4 2.125 -0.611 -11.850 27 HD2 HIS 4 HD2 HIS 4 3.733 -3.130 -12.265 28 HE1 HIS 4 HE1 HIS 4 0.394 -5.189 -13.855 29 HE2 HIS 4 HE2 HIS 4 2.920 -5.310 -13.472 30 H ALA 5 H ALA 5 3.486 0.079 -9.691 31 HA ALA 5 HA ALA 5 3.359 0.727 -7.096 32 1HB ALA 5 2HB ALA 5 5.184 1.291 -8.572 33 2HB ALA 5 3HB ALA 5 4.210 2.545 -9.370 34 3HB ALA 5 1HB ALA 5 4.689 2.729 -7.677 35 H GLY 6 H GLY 6 0.894 0.760 -6.877 36 1HA GLY 6 1HA GLY 6 -0.089 3.570 -6.423 37 2HA GLY 6 2HA GLY 6 -1.107 2.191 -6.853 38 H GLN 7 H GLN 7 -1.649 3.776 -4.566 39 HA GLN 7 HA GLN 7 -0.308 2.900 -2.204 40 1HB GLN 7 1HB GLN 7 -1.427 5.087 -2.499 41 2HB GLN 7 2HB GLN 7 -3.000 4.273 -2.433 42 1HG GLN 7 1HG GLN 7 -2.443 3.442 -0.118 43 2HG GLN 7 2HG GLN 7 -0.879 4.262 -0.222 44 1HE2 GLN 7 2HE2 GLN 7 -4.245 6.458 0.445 45 2HE2 GLN 7 1HE2 GLN 7 -4.439 4.832 -0.227 46 H CYS 8 H CYS 8 -0.638 1.302 -0.756 47 HA CYS 8 HA CYS 8 -3.165 -0.350 -0.772 48 1HB CYS 8 2HB CYS 8 -1.898 -2.018 0.491 49 2HB CYS 8 1HB CYS 8 -1.164 -1.695 -1.072 50 H GLY 9 H GLY 9 -0.991 1.580 1.256 51 1HA GLY 9 1HA GLY 9 -3.164 2.319 3.091 52 2HA GLY 9 2HA GLY 9 -1.983 1.211 3.800 53 H GLY 10 H GLY 10 -2.523 4.488 2.616 54 1HA GLY 10 2HA GLY 10 0.116 5.407 3.546 55 2HA GLY 10 1HA GLY 10 -1.186 6.438 2.950 56 H ILE 11 H ILE 11 0.311 5.332 5.834 57 HA ILE 11 HA ILE 11 -1.840 4.834 7.554 58 HB ILE 11 HB ILE 11 0.858 5.962 8.333 59 1HG1 ILE 11 2HG1 ILE 11 -0.219 3.092 8.254 60 2HG1 ILE 11 1HG1 ILE 11 0.906 3.780 7.080 61 1HG2 ILE 11 2HG2 ILE 11 -0.831 6.282 10.143 62 2HG2 ILE 11 3HG2 ILE 11 -1.263 4.564 10.033 63 3HG2 ILE 11 1HG2 ILE 11 0.346 5.062 10.589 64 1HD1 ILE 11 2HD1 ILE 11 2.553 4.183 8.948 65 2HD1 ILE 11 3HD1 ILE 11 1.486 3.229 10.008 66 3HD1 ILE 11 1HD1 ILE 11 2.208 2.486 8.575 67 H GLY 12 H GLY 12 -3.526 6.002 8.074 68 1HA GLY 12 1HA GLY 12 -4.750 8.062 8.728 69 2HA GLY 12 2HA GLY 12 -3.473 9.019 7.979 70 H TYR 13 H TYR 13 -5.108 6.108 6.793 71 HA TYR 13 HA TYR 13 -5.173 7.063 4.129 72 1HB TYR 13 1HB TYR 13 -6.637 4.737 4.004 73 2HB TYR 13 2HB TYR 13 -4.909 4.888 3.872 74 HD1 TYR 13 HD2 TYR 13 -7.637 4.326 6.433 75 HD2 TYR 13 HD1 TYR 13 -3.486 3.727 5.373 76 HE1 TYR 13 HE2 TYR 13 -7.309 2.900 8.448 77 HE2 TYR 13 HE1 TYR 13 -3.179 2.326 7.408 78 HH TYR 13 HH TYR 13 -5.858 1.671 9.656 79 H SER 14 H SER 14 -6.676 7.922 2.852 80 HA SER 14 HA SER 14 -9.289 8.795 3.790 81 1HB SER 14 2HB SER 14 -7.993 10.107 2.195 82 2HB SER 14 1HB SER 14 -8.049 8.787 1.002 83 HG SER 14 HG SER 14 -10.343 9.015 1.008 84 H GLY 15 H GLY 15 -9.622 6.315 4.397 85 1HA GLY 15 1HA GLY 15 -11.714 5.059 4.045 86 2HA GLY 15 2HA GLY 15 -11.385 5.067 2.316 87 HA PRO 16 HA PRO 16 -10.406 0.868 3.881 88 1HB PRO 16 2HB PRO 16 -10.344 0.481 0.870 89 2HB PRO 16 1HB PRO 16 -10.958 -0.643 2.116 90 1HG PRO 16 2HG PRO 16 -12.716 0.914 0.791 91 2HG PRO 16 1HG PRO 16 -12.834 0.835 2.573 92 1HD PRO 16 2HD PRO 16 -11.498 2.983 0.891 93 2HD PRO 16 1HD PRO 16 -12.641 3.165 2.256 94 H THR 17 H THR 17 -8.514 -0.155 4.301 95 HA THR 17 HA THR 17 -6.006 0.623 2.852 96 HB THR 17 HB THR 17 -6.058 1.227 5.177 97 HG1 THR 17 HG1 THR 17 -4.190 -0.138 3.918 98 1HG2 THR 17 3HG2 THR 17 -7.453 -0.747 6.062 99 2HG2 THR 17 1HG2 THR 17 -5.955 -1.694 6.010 100 3HG2 THR 17 2HG2 THR 17 -6.047 -0.255 7.018 101 H VAL 18 H VAL 18 -6.746 -0.847 1.116 102 HA VAL 18 HA VAL 18 -5.937 -3.664 1.558 103 HB VAL 18 HB VAL 18 -8.302 -3.466 2.274 104 1HG1 VAL 18 2HG1 VAL 18 -9.029 -1.694 0.652 105 2HG1 VAL 18 3HG1 VAL 18 -8.975 -2.901 -0.645 106 3HG1 VAL 18 1HG1 VAL 18 -10.103 -3.099 0.705 107 1HG2 VAL 18 3HG2 VAL 18 -7.421 -5.613 1.446 108 2HG2 VAL 18 1HG2 VAL 18 -9.143 -5.410 1.092 109 3HG2 VAL 18 2HG2 VAL 18 -7.953 -5.204 -0.201 110 H CYS 19 H CYS 19 -5.397 -4.840 -0.214 111 HA CYS 19 HA CYS 19 -5.688 -3.774 -2.954 112 1HB CYS 19 1HB CYS 19 -3.462 -2.966 -1.952 113 2HB CYS 19 2HB CYS 19 -2.970 -4.661 -1.911 114 H ALA 20 H ALA 20 -4.796 -5.571 -4.566 115 HA ALA 20 HA ALA 20 -6.251 -8.003 -4.083 116 1HB ALA 20 2HB ALA 20 -5.987 -6.980 -6.313 117 2HB ALA 20 3HB ALA 20 -4.241 -7.286 -6.257 118 3HB ALA 20 1HB ALA 20 -5.383 -8.645 -6.301 119 H SER 21 H SER 21 -5.511 -10.151 -3.920 120 HA SER 21 HA SER 21 -3.133 -10.657 -2.356 121 1HB SER 21 1HB SER 21 -5.156 -12.027 -2.163 122 2HB SER 21 2HB SER 21 -4.924 -12.640 -3.816 123 HG SER 21 HG SER 21 -4.009 -13.995 -2.059 124 H GLY 22 H GLY 22 -1.633 -12.490 -2.991 125 1HA GLY 22 2HA GLY 22 0.143 -13.227 -4.472 126 2HA GLY 22 1HA GLY 22 -0.259 -11.950 -5.617 127 H THR 23 H THR 23 -0.402 -9.754 -4.118 128 HA THR 23 HA THR 23 2.381 -9.006 -3.571 129 HB THR 23 HB THR 23 -0.255 -7.466 -3.809 130 HG1 THR 23 HG1 THR 23 1.837 -7.353 -5.672 131 1HG2 THR 23 3HG2 THR 23 2.577 -6.519 -3.370 132 2HG2 THR 23 1HG2 THR 23 1.462 -5.556 -4.336 133 3HG2 THR 23 2HG2 THR 23 1.074 -5.920 -2.656 134 H THR 24 H THR 24 3.051 -7.780 -1.673 135 HA THR 24 HA THR 24 1.147 -7.647 0.645 136 HB THR 24 HB THR 24 2.935 -7.721 2.225 137 HG1 THR 24 HG1 THR 24 5.066 -8.375 1.283 138 1HG2 THR 24 2HG2 THR 24 1.999 -9.907 1.460 139 2HG2 THR 24 3HG2 THR 24 3.323 -10.034 0.282 140 3HG2 THR 24 1HG2 THR 24 3.678 -10.022 2.022 141 H CYS 25 H CYS 25 1.497 -5.825 2.142 142 HA CYS 25 HA CYS 25 1.393 -3.417 0.537 143 1HB CYS 25 1HB CYS 25 -0.320 -4.016 2.173 144 2HB CYS 25 2HB CYS 25 0.835 -3.851 3.499 145 H GLN 26 H GLN 26 3.432 -2.777 -0.111 146 HA GLN 26 HA GLN 26 5.679 -2.930 1.742 147 1HB GLN 26 1HB GLN 26 6.649 -3.819 -0.004 148 2HB GLN 26 2HB GLN 26 5.276 -3.476 -1.011 149 1HG GLN 26 2HG GLN 26 7.178 -2.615 -2.125 150 2HG GLN 26 1HG GLN 26 6.198 -1.247 -1.589 151 1HE2 GLN 26 1HE2 GLN 26 9.622 -1.772 0.596 152 2HE2 GLN 26 2HE2 GLN 26 8.722 -3.241 0.164 153 H VAL 27 H VAL 27 6.715 -1.374 2.685 154 HA VAL 27 HA VAL 27 5.754 1.364 2.567 155 HB VAL 27 HB VAL 27 5.902 0.277 4.648 156 1HG1 VAL 27 3HG2 VAL 27 7.790 -1.315 4.311 157 2HG1 VAL 27 1HG2 VAL 27 8.932 0.041 4.374 158 3HG1 VAL 27 2HG2 VAL 27 7.957 -0.370 5.789 159 1HG2 VAL 27 2HG1 VAL 27 6.253 2.701 4.570 160 2HG2 VAL 27 3HG1 VAL 27 7.083 1.943 5.944 161 3HG2 VAL 27 1HG1 VAL 27 8.016 2.464 4.534 162 H LEU 28 H LEU 28 6.525 2.825 1.154 163 HA LEU 28 HA LEU 28 9.375 3.082 0.415 164 1HB LEU 28 1HB LEU 28 6.948 4.891 0.001 165 2HB LEU 28 2HB LEU 28 8.595 5.379 -0.372 166 HG LEU 28 HG LEU 28 8.840 3.395 -1.884 167 1HD1 LEU 28 3HD1 LEU 28 5.826 3.196 -1.456 168 2HD1 LEU 28 1HD1 LEU 28 6.712 2.416 -2.784 169 3HD1 LEU 28 2HD1 LEU 28 7.029 1.933 -1.124 170 1HD2 LEU 28 1HD2 LEU 28 8.419 5.673 -2.732 171 2HD2 LEU 28 2HD2 LEU 28 7.604 4.467 -3.737 172 3HD2 LEU 28 3HD2 LEU 28 6.667 5.425 -2.575 173 H ASN 29 H ASN 29 7.147 4.813 2.546 174 HA ASN 29 HA ASN 29 9.092 4.896 4.657 175 1HB ASN 29 1HB ASN 29 9.037 7.295 5.140 176 2HB ASN 29 2HB ASN 29 9.739 7.024 3.550 177 1HD2 ASN 29 1HD2 ASN 29 6.991 8.644 1.872 178 2HD2 ASN 29 2HD2 ASN 29 8.267 7.442 1.629 179 HA PRO 30 HA PRO 30 5.679 3.512 6.962 180 1HB PRO 30 2HB PRO 30 6.052 6.025 8.621 181 2HB PRO 30 1HB PRO 30 5.516 4.409 9.184 182 1HG PRO 30 2HG PRO 30 8.152 5.048 9.302 183 2HG PRO 30 1HG PRO 30 7.660 3.445 8.694 184 1HD PRO 30 1HD PRO 30 8.694 5.784 7.140 185 2HD PRO 30 2HD PRO 30 8.811 4.034 6.785 186 H TYR 31 H TYR 31 5.068 7.063 6.600 187 HA TYR 31 HA TYR 31 2.202 6.658 6.519 188 1HB TYR 31 2HB TYR 31 3.817 9.157 5.934 189 2HB TYR 31 1HB TYR 31 2.066 9.058 6.087 190 HD1 TYR 31 HD1 TYR 31 5.258 8.807 7.992 191 HD2 TYR 31 HD2 TYR 31 0.962 8.855 8.226 192 HE1 TYR 31 HE1 TYR 31 5.384 8.516 10.464 193 HE2 TYR 31 HE2 TYR 31 1.086 8.483 10.690 194 HH TYR 31 HH TYR 31 4.219 8.067 12.341 195 H TYR 32 H TYR 32 4.488 6.493 3.916 196 HA TYR 32 HA TYR 32 2.146 5.934 2.142 197 1HB TYR 32 2HB TYR 32 3.933 7.713 1.466 198 2HB TYR 32 1HB TYR 32 4.918 6.340 1.032 199 HD1 TYR 32 HD1 TYR 32 2.446 4.579 -0.125 200 HD2 TYR 32 HD2 TYR 32 3.621 8.721 -0.592 201 HE1 TYR 32 HE1 TYR 32 1.786 4.512 -2.508 202 HE2 TYR 32 HE2 TYR 32 2.734 8.682 -2.912 203 HH TYR 32 HH TYR 32 1.692 5.690 -4.521 204 H SER 33 H SER 33 1.691 3.821 2.558 205 HA SER 33 HA SER 33 3.797 1.896 1.693 206 1HB SER 33 1HB SER 33 2.993 1.362 3.943 207 2HB SER 33 2HB SER 33 1.366 1.091 3.289 208 HG SER 33 HG SER 33 2.774 -0.857 3.302 209 H GLN 34 H GLN 34 3.562 0.758 -0.021 210 HA GLN 34 HA GLN 34 1.425 1.399 -1.989 211 1HB GLN 34 1HB GLN 34 3.598 2.717 -2.056 212 2HB GLN 34 2HB GLN 34 4.439 1.203 -2.395 213 1HG GLN 34 1HG GLN 34 3.102 1.006 -4.516 214 2HG GLN 34 2HG GLN 34 2.283 2.520 -4.121 215 1HE2 GLN 34 2HE2 GLN 34 4.920 4.459 -5.447 216 2HE2 GLN 34 1HE2 GLN 34 3.358 4.538 -4.642 217 H CYS 35 H CYS 35 1.162 -0.151 -3.737 218 HA CYS 35 HA CYS 35 1.461 -2.953 -2.806 219 1HB CYS 35 1HB CYS 35 -0.771 -1.786 -3.209 220 2HB CYS 35 2HB CYS 35 -0.403 -1.846 -4.923 221 H LEU 36 H LEU 36 3.375 -3.846 -3.621 222 HA LEU 36 HA LEU 36 3.810 -3.929 -6.597 223 1HB LEU 36 1HB LEU 36 5.765 -3.885 -4.281 224 2HB LEU 36 2HB LEU 36 6.175 -4.493 -5.882 225 HG LEU 36 HG LEU 36 5.647 -2.280 -6.889 226 1HD1 LEU 36 3HD1 LEU 36 5.285 -1.410 -3.985 227 2HD1 LEU 36 1HD1 LEU 36 5.745 -0.292 -5.275 228 3HD1 LEU 36 2HD1 LEU 36 4.204 -1.129 -5.366 229 1HD2 LEU 36 3HD2 LEU 36 7.956 -2.999 -6.254 230 2HD2 LEU 36 1HD2 LEU 36 7.749 -1.246 -6.173 231 3HD2 LEU 36 2HD2 LEU 36 7.750 -2.203 -4.680 No H/Q in entry = 231 Start of MODEL 15 1 1H THR 1 1H THR 1 -2.698 -12.274 -10.905 2 2H THR 1 2H THR 1 -1.131 -11.933 -10.546 3 3H THR 1 3H THR 1 -1.923 -13.062 -9.651 4 HA THR 1 HA THR 1 -3.176 -11.394 -8.563 5 HB THR 1 HB THR 1 -1.331 -9.714 -7.873 6 HG1 THR 1 HG1 THR 1 0.667 -10.097 -8.867 7 1HG2 THR 1 3HG2 THR 1 -0.550 -12.692 -7.942 8 2HG2 THR 1 1HG2 THR 1 0.190 -11.452 -6.941 9 3HG2 THR 1 2HG2 THR 1 -1.503 -11.884 -6.680 10 H GLN 2 H GLN 2 -3.335 -8.775 -8.352 11 HA GLN 2 HA GLN 2 -4.327 -7.805 -11.025 12 1HB GLN 2 1HB GLN 2 -5.681 -7.943 -8.307 13 2HB GLN 2 2HB GLN 2 -6.107 -6.687 -9.467 14 1HG GLN 2 1HG GLN 2 -7.667 -8.418 -9.815 15 2HG GLN 2 2HG GLN 2 -6.586 -8.390 -11.204 16 1HE2 GLN 2 2HE2 GLN 2 -6.913 -11.922 -10.649 17 2HE2 GLN 2 1HE2 GLN 2 -7.663 -10.570 -11.497 18 H SER 3 H SER 3 -3.422 -6.569 -7.804 19 HA SER 3 HA SER 3 -2.471 -4.507 -7.216 20 1HB SER 3 1HB SER 3 -0.086 -4.697 -7.918 21 2HB SER 3 2HB SER 3 -0.790 -6.209 -7.377 22 HG SER 3 HG SER 3 -0.431 -5.401 -10.076 23 H HIS 4 H HIS 4 -4.293 -3.491 -8.848 24 HA HIS 4 HA HIS 4 -3.001 -1.540 -10.667 25 1HB HIS 4 1HB HIS 4 -5.023 -2.797 -11.327 26 2HB HIS 4 2HB HIS 4 -5.928 -2.040 -10.015 27 HD2 HIS 4 HD2 HIS 4 -4.896 -1.371 -13.649 28 HE1 HIS 4 HE1 HIS 4 -6.655 2.182 -12.142 29 HE2 HIS 4 HE2 HIS 4 -5.848 1.014 -14.259 30 H ALA 5 H ALA 5 -5.250 -1.329 -7.863 31 HA ALA 5 HA ALA 5 -4.764 1.452 -7.303 32 1HB ALA 5 2HB ALA 5 -6.835 0.361 -6.676 33 2HB ALA 5 3HB ALA 5 -5.972 -0.743 -5.582 34 3HB ALA 5 1HB ALA 5 -6.021 0.996 -5.238 35 H GLY 6 H GLY 6 -2.561 1.822 -7.133 36 1HA GLY 6 1HA GLY 6 -0.461 0.618 -6.130 37 2HA GLY 6 2HA GLY 6 -0.659 2.347 -5.857 38 H GLN 7 H GLN 7 -2.492 2.474 -3.776 39 HA GLN 7 HA GLN 7 -0.750 1.853 -1.536 40 1HB GLN 7 1HB GLN 7 -2.097 3.946 -1.715 41 2HB GLN 7 2HB GLN 7 -3.558 2.969 -1.496 42 1HG GLN 7 1HG GLN 7 -2.394 2.103 0.708 43 2HG GLN 7 2HG GLN 7 -1.238 3.408 0.451 44 1HE2 GLN 7 2HE2 GLN 7 -5.142 4.352 1.424 45 2HE2 GLN 7 1HE2 GLN 7 -4.854 2.991 0.342 46 H CYS 8 H CYS 8 -0.646 -0.079 -0.540 47 HA CYS 8 HA CYS 8 -2.822 -2.045 -0.427 48 1HB CYS 8 2HB CYS 8 -1.356 -3.230 1.178 49 2HB CYS 8 1HB CYS 8 -0.585 -2.871 -0.360 50 H GLY 9 H GLY 9 -1.370 0.136 2.002 51 1HA GLY 9 1HA GLY 9 -3.807 0.877 3.331 52 2HA GLY 9 2HA GLY 9 -3.111 -0.524 4.151 53 H GLY 10 H GLY 10 -2.619 2.913 3.411 54 1HA GLY 10 1HA GLY 10 -0.106 3.250 4.775 55 2HA GLY 10 2HA GLY 10 -1.291 4.496 4.360 56 H ILE 11 H ILE 11 0.360 4.144 6.860 57 HA ILE 11 HA ILE 11 -1.531 3.724 9.067 58 HB ILE 11 HB ILE 11 1.048 5.320 9.063 59 1HG1 ILE 11 2HG1 ILE 11 0.625 2.467 10.070 60 2HG1 ILE 11 1HG1 ILE 11 1.417 2.888 8.543 61 1HG2 ILE 11 2HG2 ILE 11 -0.564 5.917 10.916 62 2HG2 ILE 11 3HG2 ILE 11 -0.624 4.211 11.378 63 3HG2 ILE 11 1HG2 ILE 11 0.874 5.150 11.537 64 1HD1 ILE 11 2HD1 ILE 11 3.104 4.248 9.811 65 2HD1 ILE 11 3HD1 ILE 11 2.414 3.631 11.327 66 3HD1 ILE 11 1HD1 ILE 11 3.147 2.514 10.176 67 H GLY 12 H GLY 12 -3.351 4.878 8.306 68 1HA GLY 12 1HA GLY 12 -4.760 6.874 8.447 69 2HA GLY 12 2HA GLY 12 -3.323 7.893 8.443 70 H TYR 13 H TYR 13 -4.651 5.287 6.467 71 HA TYR 13 HA TYR 13 -3.376 5.390 4.250 72 1HB TYR 13 1HB TYR 13 -6.146 4.991 3.450 73 2HB TYR 13 2HB TYR 13 -4.793 3.888 3.471 74 HD1 TYR 13 HD2 TYR 13 -7.655 5.244 5.385 75 HD2 TYR 13 HD1 TYR 13 -4.482 2.314 5.338 76 HE1 TYR 13 HE2 TYR 13 -8.841 3.916 7.128 77 HE2 TYR 13 HE1 TYR 13 -5.621 1.063 7.164 78 HH TYR 13 HH TYR 13 -8.879 1.948 8.261 79 H SER 14 H SER 14 -2.610 6.921 2.989 80 HA SER 14 HA SER 14 -4.094 9.263 1.969 81 1HB SER 14 1HB SER 14 -1.336 8.112 1.347 82 2HB SER 14 2HB SER 14 -1.970 9.620 0.677 83 HG SER 14 HG SER 14 -1.980 9.233 3.478 84 H GLY 15 H GLY 15 -5.736 7.403 1.322 85 1HA GLY 15 1HA GLY 15 -6.526 7.207 -1.240 86 2HA GLY 15 2HA GLY 15 -5.150 6.097 -1.285 87 HA PRO 16 HA PRO 16 -8.889 3.775 0.292 88 1HB PRO 16 2HB PRO 16 -9.411 2.038 -1.689 89 2HB PRO 16 1HB PRO 16 -9.854 3.755 -1.827 90 1HG PRO 16 1HG PRO 16 -7.336 2.430 -2.917 91 2HG PRO 16 2HG PRO 16 -8.493 3.439 -3.830 92 1HD PRO 16 2HD PRO 16 -6.204 4.460 -2.725 93 2HD PRO 16 1HD PRO 16 -7.706 5.424 -2.813 94 H THR 17 H THR 17 -8.787 1.848 1.459 95 HA THR 17 HA THR 17 -6.225 0.398 1.647 96 HB THR 17 HB THR 17 -8.776 -0.015 3.261 97 HG1 THR 17 HG1 THR 17 -6.622 1.759 3.700 98 1HG2 THR 17 1HG2 THR 17 -5.834 -0.568 3.916 99 2HG2 THR 17 2HG2 THR 17 -7.213 -0.794 5.007 100 3HG2 THR 17 3HG2 THR 17 -7.057 -1.801 3.566 101 H VAL 18 H VAL 18 -6.584 -0.482 -0.654 102 HA VAL 18 HA VAL 18 -7.852 -3.139 -0.536 103 HB VAL 18 HB VAL 18 -9.763 -1.674 -0.919 104 1HG1 VAL 18 2HG1 VAL 18 -8.499 0.076 -2.334 105 2HG1 VAL 18 3HG1 VAL 18 -8.731 -1.024 -3.699 106 3HG1 VAL 18 1HG1 VAL 18 -10.135 -0.373 -2.851 107 1HG2 VAL 18 3HG2 VAL 18 -9.745 -4.005 -1.765 108 2HG2 VAL 18 1HG2 VAL 18 -10.747 -2.926 -2.756 109 3HG2 VAL 18 2HG2 VAL 18 -9.143 -3.418 -3.333 110 H CYS 19 H CYS 19 -6.413 -4.465 -1.405 111 HA CYS 19 HA CYS 19 -5.635 -4.181 -4.187 112 1HB CYS 19 1HB CYS 19 -3.913 -2.797 -2.846 113 2HB CYS 19 2HB CYS 19 -3.366 -4.328 -2.162 114 H ALA 20 H ALA 20 -4.478 -6.105 -4.989 115 HA ALA 20 HA ALA 20 -5.117 -8.673 -3.602 116 1HB ALA 20 3HB ALA 20 -3.816 -8.074 -6.293 117 2HB ALA 20 1HB ALA 20 -4.160 -9.695 -5.662 118 3HB ALA 20 2HB ALA 20 -5.497 -8.592 -6.027 119 H SER 21 H SER 21 -3.232 -10.258 -3.351 120 HA SER 21 HA SER 21 -0.867 -9.098 -2.140 121 1HB SER 21 1HB SER 21 -1.668 -11.348 -1.537 122 2HB SER 21 2HB SER 21 -1.334 -11.918 -3.180 123 HG SER 21 HG SER 21 0.584 -11.042 -1.266 124 H GLY 22 H GLY 22 1.241 -8.981 -2.866 125 1HA GLY 22 1HA GLY 22 2.007 -9.667 -5.672 126 2HA GLY 22 2HA GLY 22 2.569 -8.182 -4.903 127 H THR 23 H THR 23 3.816 -8.350 -2.949 128 HA THR 23 HA THR 23 4.495 -10.949 -1.762 129 HB THR 23 HB THR 23 6.291 -10.745 -3.364 130 HG1 THR 23 HG1 THR 23 7.992 -10.622 -1.603 131 1HG2 THR 23 1HG2 THR 23 7.114 -8.186 -1.926 132 2HG2 THR 23 2HG2 THR 23 8.084 -9.054 -3.111 133 3HG2 THR 23 3HG2 THR 23 6.541 -8.328 -3.600 134 H THR 24 H THR 24 5.074 -7.395 -1.480 135 HA THR 24 HA THR 24 4.528 -7.599 1.449 136 HB THR 24 HB THR 24 6.355 -6.083 1.935 137 HG1 THR 24 HG1 THR 24 6.582 -5.995 -0.842 138 1HG2 THR 24 3HG2 THR 24 7.275 -8.524 0.396 139 2HG2 THR 24 1HG2 THR 24 8.276 -7.614 1.537 140 3HG2 THR 24 2HG2 THR 24 6.833 -8.467 2.111 141 H CYS 25 H CYS 25 3.453 -6.040 2.455 142 HA CYS 25 HA CYS 25 2.381 -3.723 0.968 143 1HB CYS 25 1HB CYS 25 0.913 -4.921 2.465 144 2HB CYS 25 2HB CYS 25 1.976 -4.618 3.844 145 H GLN 26 H GLN 26 4.305 -2.712 0.405 146 HA GLN 26 HA GLN 26 6.407 -2.357 2.400 147 1HB GLN 26 1HB GLN 26 7.614 -3.195 0.759 148 2HB GLN 26 2HB GLN 26 6.285 -3.098 -0.352 149 1HG GLN 26 2HG GLN 26 8.144 -2.011 -1.350 150 2HG GLN 26 1HG GLN 26 6.911 -0.801 -1.006 151 1HE2 GLN 26 1HE2 GLN 26 10.170 -0.634 1.473 152 2HE2 GLN 26 2HE2 GLN 26 9.471 -2.239 1.168 153 H VAL 27 H VAL 27 7.373 -0.593 3.088 154 HA VAL 27 HA VAL 27 5.826 1.885 3.020 155 HB VAL 27 HB VAL 27 6.303 0.925 5.107 156 1HG1 VAL 27 1HG2 VAL 27 9.304 1.135 4.580 157 2HG1 VAL 27 2HG2 VAL 27 8.541 0.717 6.115 158 3HG1 VAL 27 3HG2 VAL 27 8.374 -0.366 4.736 159 1HG2 VAL 27 2HG1 VAL 27 6.285 3.395 4.953 160 2HG2 VAL 27 3HG1 VAL 27 7.257 2.773 6.303 161 3HG2 VAL 27 1HG1 VAL 27 8.061 3.398 4.857 162 H LEU 28 H LEU 28 6.218 3.374 1.445 163 HA LEU 28 HA LEU 28 8.929 4.090 0.528 164 1HB LEU 28 1HB LEU 28 6.206 5.432 0.177 165 2HB LEU 28 2HB LEU 28 7.722 6.128 -0.381 166 HG LEU 28 HG LEU 28 8.141 4.124 -1.798 167 1HD1 LEU 28 3HD1 LEU 28 5.331 3.367 -0.885 168 2HD1 LEU 28 1HD1 LEU 28 6.086 2.729 -2.360 169 3HD1 LEU 28 2HD1 LEU 28 6.807 2.379 -0.793 170 1HD2 LEU 28 2HD2 LEU 28 7.181 6.202 -2.709 171 2HD2 LEU 28 3HD2 LEU 28 6.491 4.794 -3.527 172 3HD2 LEU 28 1HD2 LEU 28 5.545 5.652 -2.297 173 H ASN 29 H ASN 29 6.475 5.855 2.374 174 HA ASN 29 HA ASN 29 8.463 6.644 4.426 175 1HB ASN 29 1HB ASN 29 6.322 8.536 3.354 176 2HB ASN 29 2HB ASN 29 7.479 8.887 4.638 177 1HD2 ASN 29 1HD2 ASN 29 10.187 9.173 2.182 178 2HD2 ASN 29 2HD2 ASN 29 9.965 8.358 3.726 179 HA PRO 30 HA PRO 30 5.933 4.410 7.254 180 1HB PRO 30 2HB PRO 30 5.703 7.105 8.630 181 2HB PRO 30 1HB PRO 30 5.794 5.487 9.388 182 1HG PRO 30 1HG PRO 30 8.059 6.958 9.004 183 2HG PRO 30 2HG PRO 30 8.060 5.200 8.707 184 1HD PRO 30 1HD PRO 30 8.181 7.405 6.720 185 2HD PRO 30 2HD PRO 30 8.676 5.694 6.562 186 H TYR 31 H TYR 31 4.247 7.543 6.755 187 HA TYR 31 HA TYR 31 1.596 6.603 7.112 188 1HB TYR 31 1HB TYR 31 2.643 8.972 5.512 189 2HB TYR 31 2HB TYR 31 0.961 8.700 5.944 190 HD1 TYR 31 HD2 TYR 31 4.317 9.582 7.317 191 HD2 TYR 31 HD1 TYR 31 0.130 9.030 8.215 192 HE1 TYR 31 HE2 TYR 31 4.772 9.974 9.741 193 HE2 TYR 31 HE1 TYR 31 0.588 9.478 10.612 194 HH TYR 31 HH TYR 31 2.195 9.673 12.172 195 H TYR 32 H TYR 32 3.476 6.730 4.061 196 HA TYR 32 HA TYR 32 1.189 5.530 2.552 197 1HB TYR 32 1HB TYR 32 2.163 7.644 1.754 198 2HB TYR 32 2HB TYR 32 3.682 6.825 1.436 199 HD1 TYR 32 HD2 TYR 32 2.488 4.179 0.119 200 HD2 TYR 32 HD1 TYR 32 1.643 8.404 -0.425 201 HE1 TYR 32 HE2 TYR 32 1.564 3.722 -2.084 202 HE2 TYR 32 HE1 TYR 32 0.932 7.917 -2.748 203 HH TYR 32 HH TYR 32 0.720 6.312 -4.350 204 H SER 33 H SER 33 1.294 3.425 3.088 205 HA SER 33 HA SER 33 3.664 1.822 2.224 206 1HB SER 33 1HB SER 33 2.814 1.296 4.453 207 2HB SER 33 2HB SER 33 1.232 0.880 3.771 208 HG SER 33 HG SER 33 2.813 -0.945 3.970 209 H GLN 34 H GLN 34 3.645 0.580 0.474 210 HA GLN 34 HA GLN 34 1.394 0.827 -1.454 211 1HB GLN 34 1HB GLN 34 3.421 2.286 -1.695 212 2HB GLN 34 2HB GLN 34 4.384 0.842 -1.998 213 1HG GLN 34 1HG GLN 34 3.092 0.403 -4.053 214 2HG GLN 34 2HG GLN 34 1.959 1.700 -3.670 215 1HE2 GLN 34 2HE2 GLN 34 4.135 4.246 -4.864 216 2HE2 GLN 34 1HE2 GLN 34 2.665 3.975 -3.918 217 H CYS 35 H CYS 35 1.011 -0.787 -2.955 218 HA CYS 35 HA CYS 35 1.281 -3.495 -1.942 219 1HB CYS 35 1HB CYS 35 -0.797 -2.415 -2.780 220 2HB CYS 35 2HB CYS 35 -0.121 -2.413 -4.408 221 H LEU 36 H LEU 36 3.712 -3.489 -2.224 222 HA LEU 36 HA LEU 36 4.480 -4.702 -4.859 223 1HB LEU 36 1HB LEU 36 6.112 -3.205 -2.785 224 2HB LEU 36 2HB LEU 36 6.835 -4.398 -3.873 225 HG LEU 36 HG LEU 36 5.988 -3.181 -5.846 226 1HD1 LEU 36 1HD2 LEU 36 5.358 -0.937 -3.860 227 2HD1 LEU 36 2HD2 LEU 36 5.449 -0.759 -5.625 228 3HD1 LEU 36 3HD2 LEU 36 4.190 -1.763 -4.918 229 1HD2 LEU 36 2HD1 LEU 36 8.322 -2.953 -4.942 230 2HD2 LEU 36 3HD1 LEU 36 7.763 -1.514 -5.816 231 3HD2 LEU 36 1HD1 LEU 36 7.792 -1.518 -4.036 No H/Q in entry = 231 Start of MODEL 16 1 1H THR 1 3H THR 1 -1.775 -13.731 -6.588 2 2H THR 1 1H THR 1 -2.663 -14.398 -7.812 3 3H THR 1 2H THR 1 -1.028 -14.108 -7.998 4 HA THR 1 HA THR 1 -2.240 -12.498 -9.206 5 HB THR 1 HB THR 1 -3.829 -11.951 -6.672 6 HG1 THR 1 HG1 THR 1 -5.430 -13.124 -7.864 7 1HG2 THR 1 3HG2 THR 1 -4.328 -11.155 -9.605 8 2HG2 THR 1 1HG2 THR 1 -5.423 -10.852 -8.247 9 3HG2 THR 1 2HG2 THR 1 -3.873 -10.019 -8.318 10 H GLN 2 H GLN 2 -1.968 -9.993 -9.118 11 HA GLN 2 HA GLN 2 0.394 -9.271 -7.428 12 1HB GLN 2 1HB GLN 2 0.029 -9.023 -10.447 13 2HB GLN 2 2HB GLN 2 1.404 -8.372 -9.557 14 1HG GLN 2 1HG GLN 2 0.767 -11.363 -9.719 15 2HG GLN 2 2HG GLN 2 1.880 -10.478 -10.762 16 1HE2 GLN 2 2HE2 GLN 2 3.111 -11.161 -6.937 17 2HE2 GLN 2 1HE2 GLN 2 1.366 -11.190 -7.199 18 H SER 3 H SER 3 1.041 -6.902 -8.154 19 HA SER 3 HA SER 3 -0.890 -5.125 -7.057 20 1HB SER 3 1HB SER 3 0.894 -3.473 -7.324 21 2HB SER 3 2HB SER 3 1.634 -5.000 -6.886 22 HG SER 3 HG SER 3 1.511 -3.834 -9.488 23 H HIS 4 H HIS 4 -1.052 -2.854 -8.183 24 HA HIS 4 HA HIS 4 -1.502 -2.799 -11.059 25 1HB HIS 4 1HB HIS 4 -3.582 -3.867 -10.332 26 2HB HIS 4 2HB HIS 4 -3.918 -2.552 -9.213 27 HD2 HIS 4 HD2 HIS 4 -4.379 -3.509 -12.910 28 HE1 HIS 4 HE1 HIS 4 -5.649 0.514 -12.467 29 HE2 HIS 4 HE2 HIS 4 -5.605 -1.475 -14.060 30 H ALA 5 H ALA 5 -3.298 -0.592 -8.979 31 HA ALA 5 HA ALA 5 -1.685 1.708 -9.411 32 1HB ALA 5 2HB ALA 5 -4.004 1.769 -8.560 33 2HB ALA 5 3HB ALA 5 -3.468 1.036 -7.032 34 3HB ALA 5 1HB ALA 5 -2.902 2.654 -7.488 35 H GLY 6 H GLY 6 0.021 2.636 -8.274 36 1HA GLY 6 1HA GLY 6 1.973 0.962 -7.129 37 2HA GLY 6 2HA GLY 6 1.987 2.723 -7.059 38 H GLN 7 H GLN 7 -0.239 3.200 -5.380 39 HA GLN 7 HA GLN 7 0.929 2.647 -2.773 40 1HB GLN 7 1HB GLN 7 -0.042 4.830 -3.449 41 2HB GLN 7 2HB GLN 7 -1.657 4.091 -3.463 42 1HG GLN 7 2HG GLN 7 -1.394 3.554 -1.006 43 2HG GLN 7 1HG GLN 7 0.246 4.180 -1.112 44 1HE2 GLN 7 2HE2 GLN 7 -1.448 7.013 0.321 45 2HE2 GLN 7 1HE2 GLN 7 -0.585 5.550 0.805 46 H CYS 8 H CYS 8 0.190 1.293 -1.143 47 HA CYS 8 HA CYS 8 -2.108 -0.571 -1.656 48 1HB CYS 8 1HB CYS 8 -0.128 -1.729 -1.045 49 2HB CYS 8 2HB CYS 8 0.239 -0.618 0.271 50 H GLY 9 H GLY 9 -0.811 1.307 1.094 51 1HA GLY 9 1HA GLY 9 -3.380 2.374 2.025 52 2HA GLY 9 2HA GLY 9 -2.942 0.819 2.765 53 H GLY 10 H GLY 10 -1.915 4.183 2.472 54 1HA GLY 10 1HA GLY 10 0.338 4.023 4.345 55 2HA GLY 10 2HA GLY 10 -0.426 5.477 3.680 56 H ILE 11 H ILE 11 0.134 6.194 5.912 57 HA ILE 11 HA ILE 11 -1.886 5.534 8.007 58 HB ILE 11 HB ILE 11 0.362 7.571 7.981 59 1HG1 ILE 11 2HG1 ILE 11 0.143 4.892 9.449 60 2HG1 ILE 11 1HG1 ILE 11 1.095 5.154 7.990 61 1HG2 ILE 11 2HG2 ILE 11 -1.498 8.284 9.450 62 2HG2 ILE 11 3HG2 ILE 11 -1.473 6.702 10.258 63 3HG2 ILE 11 1HG2 ILE 11 -0.100 7.820 10.399 64 1HD1 ILE 11 2HD1 ILE 11 2.444 6.898 9.199 65 2HD1 ILE 11 3HD1 ILE 11 1.619 6.411 10.701 66 3HD1 ILE 11 1HD1 ILE 11 2.608 5.241 9.815 67 H GLY 12 H GLY 12 -3.759 6.750 8.305 68 1HA GLY 12 1HA GLY 12 -5.261 8.556 8.067 69 2HA GLY 12 2HA GLY 12 -4.158 9.401 6.984 70 H TYR 13 H TYR 13 -3.662 7.819 4.951 71 HA TYR 13 HA TYR 13 -6.159 6.868 3.654 72 1HB TYR 13 1HB TYR 13 -4.229 7.969 2.444 73 2HB TYR 13 2HB TYR 13 -3.272 6.533 2.764 74 HD1 TYR 13 HD1 TYR 13 -6.545 7.680 1.270 75 HD2 TYR 13 HD2 TYR 13 -3.347 4.776 1.097 76 HE1 TYR 13 HE1 TYR 13 -7.330 6.925 -0.976 77 HE2 TYR 13 HE2 TYR 13 -4.100 4.089 -1.164 78 HH TYR 13 HH TYR 13 -5.733 4.284 -2.692 79 H SER 14 H SER 14 -6.377 5.738 5.794 80 HA SER 14 HA SER 14 -4.469 3.975 6.796 81 1HB SER 14 1HB SER 14 -7.288 4.571 7.655 82 2HB SER 14 2HB SER 14 -6.152 3.595 8.600 83 HG SER 14 HG SER 14 -6.156 5.928 9.089 84 H GLY 15 H GLY 15 -4.175 2.417 5.102 85 1HA GLY 15 2HA GLY 15 -4.003 0.030 5.299 86 2HA GLY 15 1HA GLY 15 -5.711 -0.095 5.724 87 HA PRO 16 HA PRO 16 -4.733 -1.462 1.315 88 1HB PRO 16 2HB PRO 16 -6.681 -3.601 2.197 89 2HB PRO 16 1HB PRO 16 -5.242 -3.748 1.153 90 1HG PRO 16 2HG PRO 16 -5.088 -4.468 3.758 91 2HG PRO 16 1HG PRO 16 -3.782 -3.460 3.070 92 1HD PRO 16 2HD PRO 16 -6.184 -2.538 4.686 93 2HD PRO 16 1HD PRO 16 -4.455 -2.153 4.917 94 H THR 17 H THR 17 -5.844 0.545 0.846 95 HA THR 17 HA THR 17 -8.752 0.439 0.175 96 HB THR 17 HB THR 17 -8.369 2.982 -0.072 97 HG1 THR 17 HG1 THR 17 -6.077 2.343 1.477 98 1HG2 THR 17 1HG2 THR 17 -7.967 1.676 2.654 99 2HG2 THR 17 2HG2 THR 17 -8.496 3.347 2.352 100 3HG2 THR 17 3HG2 THR 17 -9.523 1.984 1.859 101 H VAL 18 H VAL 18 -5.727 0.351 -1.522 102 HA VAL 18 HA VAL 18 -7.209 0.222 -4.031 103 HB VAL 18 HB VAL 18 -6.713 2.689 -3.548 104 1HG1 VAL 18 2HG1 VAL 18 -4.320 2.341 -2.823 105 2HG1 VAL 18 3HG1 VAL 18 -3.927 1.946 -4.510 106 3HG1 VAL 18 1HG1 VAL 18 -4.504 3.562 -4.107 107 1HG2 VAL 18 3HG2 VAL 18 -7.411 1.847 -5.776 108 2HG2 VAL 18 1HG2 VAL 18 -6.403 3.303 -5.802 109 3HG2 VAL 18 2HG2 VAL 18 -5.696 1.753 -6.241 110 H CYS 19 H CYS 19 -5.801 -0.188 -5.892 111 HA CYS 19 HA CYS 19 -4.235 -1.304 -7.060 112 1HB CYS 19 1HB CYS 19 -2.269 -2.189 -6.370 113 2HB CYS 19 2HB CYS 19 -2.508 -0.895 -5.210 114 H ALA 20 H ALA 20 -3.422 -3.985 -6.864 115 HA ALA 20 HA ALA 20 -6.072 -5.387 -6.916 116 1HB ALA 20 3HB ALA 20 -3.635 -5.749 -8.678 117 2HB ALA 20 1HB ALA 20 -5.030 -6.845 -8.657 118 3HB ALA 20 2HB ALA 20 -5.240 -5.154 -9.136 119 H SER 21 H SER 21 -6.152 -7.590 -6.421 120 HA SER 21 HA SER 21 -5.249 -8.094 -3.861 121 1HB SER 21 1HB SER 21 -7.247 -9.093 -4.854 122 2HB SER 21 2HB SER 21 -6.248 -10.201 -5.812 123 HG SER 21 HG SER 21 -5.435 -10.992 -3.712 124 H GLY 22 H GLY 22 -3.702 -9.133 -2.835 125 1HA GLY 22 1HA GLY 22 -1.863 -11.136 -3.723 126 2HA GLY 22 2HA GLY 22 -1.106 -9.543 -3.900 127 H THR 23 H THR 23 -2.178 -8.211 -1.743 128 HA THR 23 HA THR 23 -2.408 -7.911 0.466 129 HB THR 23 HB THR 23 -1.925 -10.831 1.109 130 HG1 THR 23 HG1 THR 23 -4.206 -11.029 0.756 131 1HG2 THR 23 1HG2 THR 23 -2.324 -9.231 3.032 132 2HG2 THR 23 2HG2 THR 23 -3.837 -8.726 2.261 133 3HG2 THR 23 3HG2 THR 23 -3.640 -10.389 2.843 134 H THR 24 H THR 24 0.017 -7.552 -0.832 135 HA THR 24 HA THR 24 1.885 -7.428 1.485 136 HB THR 24 HB THR 24 3.710 -7.229 -0.081 137 HG1 THR 24 HG1 THR 24 3.432 -7.187 -2.153 138 1HG2 THR 24 2HG2 THR 24 3.124 -9.491 0.745 139 2HG2 THR 24 3HG2 THR 24 2.101 -9.736 -0.692 140 3HG2 THR 24 1HG2 THR 24 3.853 -9.521 -0.872 141 H CYS 25 H CYS 25 3.209 -5.396 1.429 142 HA CYS 25 HA CYS 25 1.786 -2.979 0.694 143 1HB CYS 25 1HB CYS 25 0.248 -4.426 2.342 144 2HB CYS 25 2HB CYS 25 1.304 -3.769 3.572 145 H GLN 26 H GLN 26 4.469 -3.555 0.568 146 HA GLN 26 HA GLN 26 6.281 -2.874 2.456 147 1HB GLN 26 1HB GLN 26 6.740 -3.423 0.101 148 2HB GLN 26 2HB GLN 26 6.069 -1.884 -0.426 149 1HG GLN 26 2HG GLN 26 8.547 -1.986 -0.520 150 2HG GLN 26 1HG GLN 26 7.952 -0.663 0.477 151 1HE2 GLN 26 2HE2 GLN 26 9.381 -3.721 2.773 152 2HE2 GLN 26 1HE2 GLN 26 8.072 -4.063 1.630 153 H VAL 27 H VAL 27 7.545 -0.943 3.055 154 HA VAL 27 HA VAL 27 5.963 1.599 3.191 155 HB VAL 27 HB VAL 27 5.704 0.492 5.239 156 1HG1 VAL 27 3HG2 VAL 27 7.595 -1.092 5.271 157 2HG1 VAL 27 1HG2 VAL 27 8.734 0.244 5.523 158 3HG1 VAL 27 2HG2 VAL 27 7.530 -0.143 6.760 159 1HG2 VAL 27 2HG1 VAL 27 6.086 2.949 5.257 160 2HG2 VAL 27 3HG1 VAL 27 6.527 2.148 6.775 161 3HG2 VAL 27 1HG1 VAL 27 7.794 2.667 5.653 162 H LEU 28 H LEU 28 6.941 2.993 1.833 163 HA LEU 28 HA LEU 28 9.873 3.238 1.600 164 1HB LEU 28 1HB LEU 28 7.485 4.663 0.379 165 2HB LEU 28 2HB LEU 28 9.098 5.358 0.267 166 HG LEU 28 HG LEU 28 9.985 3.411 -0.855 167 1HD1 LEU 28 1HD2 LEU 28 7.174 2.246 -0.630 168 2HD1 LEU 28 2HD2 LEU 28 8.439 1.623 -1.705 169 3HD1 LEU 28 3HD2 LEU 28 8.679 1.574 0.039 170 1HD2 LEU 28 2HD1 LEU 28 8.984 5.229 -2.190 171 2HD2 LEU 28 3HD1 LEU 28 8.754 3.664 -2.981 172 3HD2 LEU 28 1HD1 LEU 28 7.401 4.432 -2.119 173 H ASN 29 H ASN 29 7.375 5.573 2.565 174 HA ASN 29 HA ASN 29 8.971 6.372 4.935 175 1HB ASN 29 1HB ASN 29 7.508 8.335 3.116 176 2HB ASN 29 2HB ASN 29 8.367 8.741 4.605 177 1HD2 ASN 29 1HD2 ASN 29 11.597 8.258 2.979 178 2HD2 ASN 29 2HD2 ASN 29 10.861 7.908 4.539 179 HA PRO 30 HA PRO 30 5.594 4.691 6.881 180 1HB PRO 30 2HB PRO 30 5.085 6.394 9.109 181 2HB PRO 30 1HB PRO 30 6.236 5.044 8.988 182 1HG PRO 30 1HG PRO 30 6.747 7.986 8.531 183 2HG PRO 30 2HG PRO 30 7.768 6.811 9.407 184 1HD PRO 30 2HD PRO 30 8.407 7.522 6.906 185 2HD PRO 30 1HD PRO 30 8.486 5.789 7.350 186 H TYR 31 H TYR 31 4.878 8.134 6.282 187 HA TYR 31 HA TYR 31 2.039 7.853 6.496 188 1HB TYR 31 1HB TYR 31 3.790 9.973 5.236 189 2HB TYR 31 2HB TYR 31 2.035 10.071 5.270 190 HD1 TYR 31 HD2 TYR 31 5.083 10.094 7.429 191 HD2 TYR 31 HD1 TYR 31 0.768 10.377 7.344 192 HE1 TYR 31 HE2 TYR 31 5.046 10.420 9.895 193 HE2 TYR 31 HE1 TYR 31 0.764 10.773 9.806 194 HH TYR 31 HH TYR 31 3.749 10.654 11.739 195 H TYR 32 H TYR 32 4.003 6.712 3.866 196 HA TYR 32 HA TYR 32 1.507 5.864 2.555 197 1HB TYR 32 1HB TYR 32 1.548 7.435 1.058 198 2HB TYR 32 2HB TYR 32 3.189 7.901 1.418 199 HD1 TYR 32 HD2 TYR 32 2.023 4.625 -0.068 200 HD2 TYR 32 HD1 TYR 32 3.939 8.420 -0.751 201 HE1 TYR 32 HE2 TYR 32 2.934 3.777 -2.226 202 HE2 TYR 32 HE1 TYR 32 4.714 7.614 -2.982 203 HH TYR 32 HH TYR 32 3.840 4.559 -4.310 204 H SER 33 H SER 33 1.454 3.851 2.709 205 HA SER 33 HA SER 33 3.751 2.060 2.263 206 1HB SER 33 1HB SER 33 2.495 1.448 4.193 207 2HB SER 33 2HB SER 33 0.960 1.672 3.352 208 HG SER 33 HG SER 33 2.822 -0.426 2.922 209 H GLN 34 H GLN 34 3.887 0.666 0.609 210 HA GLN 34 HA GLN 34 2.412 1.323 -1.876 211 1HB GLN 34 1HB GLN 34 4.813 2.100 -1.438 212 2HB GLN 34 2HB GLN 34 5.289 0.398 -1.516 213 1HG GLN 34 1HG GLN 34 4.360 0.341 -3.870 214 2HG GLN 34 2HG GLN 34 3.952 2.048 -3.725 215 1HE2 GLN 34 2HE2 GLN 34 7.244 3.066 -4.481 216 2HE2 GLN 34 1HE2 GLN 34 5.642 3.654 -4.036 217 H CYS 35 H CYS 35 1.888 -0.299 -3.362 218 HA CYS 35 HA CYS 35 1.285 -2.933 -2.271 219 1HB CYS 35 1HB CYS 35 -0.237 -1.499 -3.621 220 2HB CYS 35 2HB CYS 35 0.798 -1.744 -5.026 221 H LEU 36 H LEU 36 3.803 -3.025 -2.031 222 HA LEU 36 HA LEU 36 4.760 -5.131 -3.892 223 1HB LEU 36 1HB LEU 36 6.407 -3.019 -2.434 224 2HB LEU 36 2HB LEU 36 7.059 -4.565 -2.969 225 HG LEU 36 HG LEU 36 6.625 -4.023 -5.320 226 1HD1 LEU 36 3HD1 LEU 36 5.601 -1.423 -4.146 227 2HD1 LEU 36 1HD1 LEU 36 6.169 -1.525 -5.823 228 3HD1 LEU 36 2HD1 LEU 36 4.773 -2.474 -5.315 229 1HD2 LEU 36 2HD2 LEU 36 8.793 -3.447 -4.170 230 2HD2 LEU 36 3HD2 LEU 36 8.417 -2.352 -5.511 231 3HD2 LEU 36 1HD2 LEU 36 8.149 -1.827 -3.836 No H/Q in entry = 231 Start of MODEL 17 1 1H THR 1 2H THR 1 -2.647 -14.387 -8.172 2 2H THR 1 3H THR 1 -3.781 -14.380 -9.390 3 3H THR 1 1H THR 1 -2.155 -14.200 -9.733 4 HA THR 1 HA THR 1 -3.118 -12.138 -9.960 5 HB THR 1 HB THR 1 -4.383 -12.466 -7.217 6 HG1 THR 1 HG1 THR 1 -6.276 -12.570 -8.678 7 1HG2 THR 1 3HG2 THR 1 -4.841 -10.380 -9.433 8 2HG2 THR 1 1HG2 THR 1 -5.757 -10.511 -7.921 9 3HG2 THR 1 2HG2 THR 1 -4.060 -10.050 -7.876 10 H GLN 2 H GLN 2 -2.255 -10.072 -9.168 11 HA GLN 2 HA GLN 2 0.388 -10.532 -7.853 12 1HB GLN 2 1HB GLN 2 -0.473 -9.440 -10.560 13 2HB GLN 2 2HB GLN 2 0.920 -8.724 -9.773 14 1HG GLN 2 1HG GLN 2 1.760 -10.402 -11.199 15 2HG GLN 2 2HG GLN 2 2.002 -10.936 -9.539 16 1HE2 GLN 2 2HE2 GLN 2 1.019 -13.967 -11.240 17 2HE2 GLN 2 1HE2 GLN 2 2.423 -12.951 -10.927 18 H SER 3 H SER 3 1.571 -8.481 -7.421 19 HA SER 3 HA SER 3 -0.055 -6.668 -5.780 20 1HB SER 3 1HB SER 3 2.279 -7.684 -5.188 21 2HB SER 3 2HB SER 3 2.937 -6.415 -6.223 22 HG SER 3 HG SER 3 2.686 -5.846 -3.990 23 H HIS 4 H HIS 4 -0.934 -4.846 -6.646 24 HA HIS 4 HA HIS 4 -0.045 -3.924 -9.347 25 1HB HIS 4 1HB HIS 4 -2.617 -3.698 -7.805 26 2HB HIS 4 2HB HIS 4 -2.236 -2.542 -9.069 27 HD2 HIS 4 HD2 HIS 4 -3.770 -3.308 -11.093 28 HE1 HIS 4 HE1 HIS 4 -2.451 -7.333 -11.294 29 HE2 HIS 4 HE2 HIS 4 -3.838 -5.550 -12.479 30 H ALA 5 H ALA 5 1.840 -2.941 -8.766 31 HA ALA 5 HA ALA 5 2.819 -0.995 -7.385 32 1HB ALA 5 2HB ALA 5 3.796 -1.783 -9.468 33 2HB ALA 5 3HB ALA 5 2.652 -0.797 -10.408 34 3HB ALA 5 1HB ALA 5 3.863 -0.019 -9.366 35 H GLY 6 H GLY 6 1.181 0.021 -6.225 36 1HA GLY 6 1HA GLY 6 0.478 2.769 -6.944 37 2HA GLY 6 2HA GLY 6 -0.896 1.639 -6.899 38 H GLN 7 H GLN 7 -1.513 3.230 -4.999 39 HA GLN 7 HA GLN 7 -0.006 2.919 -2.513 40 1HB GLN 7 1HB GLN 7 -1.415 4.912 -3.116 41 2HB GLN 7 2HB GLN 7 -2.835 3.898 -2.846 42 1HG GLN 7 2HG GLN 7 -2.043 3.526 -0.468 43 2HG GLN 7 1HG GLN 7 -0.631 4.543 -0.816 44 1HE2 GLN 7 2HE2 GLN 7 -2.730 6.958 0.775 45 2HE2 GLN 7 1HE2 GLN 7 -1.325 5.915 1.054 46 H CYS 8 H CYS 8 -0.419 1.570 -0.780 47 HA CYS 8 HA CYS 8 -2.319 -0.732 -1.117 48 1HB CYS 8 1HB CYS 8 0.052 -1.284 -0.693 49 2HB CYS 8 2HB CYS 8 0.003 -0.353 0.806 50 H GLY 9 H GLY 9 -1.371 1.736 1.237 51 1HA GLY 9 1HA GLY 9 -3.745 2.599 2.358 52 2HA GLY 9 2HA GLY 9 -3.497 1.048 3.164 53 H GLY 10 H GLY 10 -2.072 4.270 2.671 54 1HA GLY 10 1HA GLY 10 0.232 3.901 4.400 55 2HA GLY 10 2HA GLY 10 -0.419 5.445 3.836 56 H ILE 11 H ILE 11 0.591 4.529 6.559 57 HA ILE 11 HA ILE 11 -1.402 4.379 8.528 58 HB ILE 11 HB ILE 11 1.262 5.835 8.632 59 1HG1 ILE 11 2HG1 ILE 11 0.476 2.984 9.424 60 2HG1 ILE 11 1HG1 ILE 11 1.466 3.439 8.033 61 1HG2 ILE 11 2HG2 ILE 11 -0.282 6.529 10.500 62 2HG2 ILE 11 3HG2 ILE 11 -0.423 4.820 10.964 63 3HG2 ILE 11 1HG2 ILE 11 1.136 5.664 11.059 64 1HD1 ILE 11 2HD1 ILE 11 3.139 4.467 9.653 65 2HD1 ILE 11 3HD1 ILE 11 2.236 3.656 10.954 66 3HD1 ILE 11 1HD1 ILE 11 2.990 2.701 9.669 67 H GLY 12 H GLY 12 -3.206 5.629 8.686 68 1HA GLY 12 2HA GLY 12 -4.194 7.824 9.264 69 2HA GLY 12 1HA GLY 12 -3.088 8.605 8.143 70 H TYR 13 H TYR 13 -3.256 7.042 5.867 71 HA TYR 13 HA TYR 13 -6.028 7.442 4.881 72 1HB TYR 13 1HB TYR 13 -3.897 8.053 3.602 73 2HB TYR 13 2HB TYR 13 -3.738 6.336 3.258 74 HD1 TYR 13 HD1 TYR 13 -6.907 5.844 2.863 75 HD2 TYR 13 HD2 TYR 13 -4.170 8.873 1.394 76 HE1 TYR 13 HE1 TYR 13 -8.199 6.010 0.795 77 HE2 TYR 13 HE2 TYR 13 -5.543 9.049 -0.681 78 HH TYR 13 HH TYR 13 -8.247 6.820 -1.322 79 H SER 14 H SER 14 -6.372 5.858 6.801 80 HA SER 14 HA SER 14 -6.130 2.981 6.208 81 1HB SER 14 1HB SER 14 -7.476 4.498 8.490 82 2HB SER 14 2HB SER 14 -7.225 2.749 8.423 83 HG SER 14 HG SER 14 -4.908 3.267 8.192 84 H GLY 15 H GLY 15 -7.370 3.584 4.083 85 1HA GLY 15 1HA GLY 15 -10.182 2.732 4.273 86 2HA GLY 15 2HA GLY 15 -9.971 4.458 3.944 87 HA PRO 16 HA PRO 16 -10.533 2.126 -0.033 88 1HB PRO 16 2HB PRO 16 -11.701 4.840 -0.686 89 2HB PRO 16 1HB PRO 16 -12.225 3.228 -1.242 90 1HG PRO 16 2HG PRO 16 -13.532 4.374 0.818 91 2HG PRO 16 1HG PRO 16 -13.018 2.672 0.984 92 1HD PRO 16 1HD PRO 16 -11.594 5.144 2.041 93 2HD PRO 16 2HD PRO 16 -12.023 3.641 2.905 94 H THR 17 H THR 17 -8.218 2.106 -0.148 95 HA THR 17 HA THR 17 -7.427 3.201 -2.740 96 HB THR 17 HB THR 17 -6.744 5.009 -1.255 97 HG1 THR 17 HG1 THR 17 -4.651 5.073 -2.076 98 1HG2 THR 17 2HG2 THR 17 -6.157 3.551 0.784 99 2HG2 THR 17 3HG2 THR 17 -4.626 3.193 -0.032 100 3HG2 THR 17 1HG2 THR 17 -5.037 4.857 0.389 101 H VAL 18 H VAL 18 -8.076 0.769 -2.413 102 HA VAL 18 HA VAL 18 -5.844 -0.935 -1.481 103 HB VAL 18 HB VAL 18 -8.007 -1.139 -0.399 104 1HG1 VAL 18 2HG1 VAL 18 -9.517 -0.723 -2.369 105 2HG1 VAL 18 3HG1 VAL 18 -9.093 -2.333 -2.985 106 3HG1 VAL 18 1HG1 VAL 18 -9.932 -2.170 -1.440 107 1HG2 VAL 18 3HG2 VAL 18 -6.437 -3.047 -0.432 108 2HG2 VAL 18 1HG2 VAL 18 -8.127 -3.575 -0.390 109 3HG2 VAL 18 2HG2 VAL 18 -7.217 -3.666 -1.904 110 H CYS 19 H CYS 19 -4.617 -2.078 -2.766 111 HA CYS 19 HA CYS 19 -5.026 -2.322 -5.646 112 1HB CYS 19 1HB CYS 19 -2.769 -3.238 -5.602 113 2HB CYS 19 2HB CYS 19 -2.847 -1.813 -4.584 114 H ALA 20 H ALA 20 -4.056 -4.586 -6.494 115 HA ALA 20 HA ALA 20 -6.187 -6.507 -6.241 116 1HB ALA 20 2HB ALA 20 -5.086 -6.024 -8.373 117 2HB ALA 20 3HB ALA 20 -3.541 -6.594 -7.726 118 3HB ALA 20 1HB ALA 20 -4.880 -7.734 -7.961 119 H SER 21 H SER 21 -6.085 -8.683 -5.666 120 HA SER 21 HA SER 21 -4.822 -9.338 -3.217 121 1HB SER 21 1HB SER 21 -6.919 -10.308 -3.862 122 2HB SER 21 2HB SER 21 -6.172 -11.145 -5.243 123 HG SER 21 HG SER 21 -6.422 -12.419 -3.205 124 H GLY 22 H GLY 22 -2.867 -9.972 -2.717 125 1HA GLY 22 2HA GLY 22 -1.084 -11.817 -3.815 126 2HA GLY 22 1HA GLY 22 -0.719 -10.274 -4.621 127 H THR 23 H THR 23 -1.051 -8.417 -2.802 128 HA THR 23 HA THR 23 -1.189 -7.602 -0.740 129 HB THR 23 HB THR 23 -0.815 -10.364 0.449 130 HG1 THR 23 HG1 THR 23 -3.015 -10.660 0.008 131 1HG2 THR 23 3HG2 THR 23 -2.673 -8.030 1.157 132 2HG2 THR 23 1HG2 THR 23 -2.580 -9.582 2.011 133 3HG2 THR 23 2HG2 THR 23 -1.219 -8.468 2.068 134 H THR 24 H THR 24 1.413 -7.561 -1.914 135 HA THR 24 HA THR 24 3.307 -7.487 0.363 136 HB THR 24 HB THR 24 4.894 -6.881 -1.564 137 HG1 THR 24 HG1 THR 24 4.137 -7.145 -3.546 138 1HG2 THR 24 3HG2 THR 24 3.542 -9.610 -1.506 139 2HG2 THR 24 1HG2 THR 24 5.129 -9.243 -2.209 140 3HG2 THR 24 2HG2 THR 24 4.885 -9.087 -0.462 141 H CYS 25 H CYS 25 2.704 -5.816 1.546 142 HA CYS 25 HA CYS 25 1.880 -3.209 0.418 143 1HB CYS 25 1HB CYS 25 0.590 -4.775 2.007 144 2HB CYS 25 2HB CYS 25 1.709 -4.279 3.261 145 H GLN 26 H GLN 26 4.068 -2.442 -0.149 146 HA GLN 26 HA GLN 26 6.145 -2.495 1.901 147 1HB GLN 26 1HB GLN 26 7.307 -3.257 0.197 148 2HB GLN 26 2HB GLN 26 6.023 -2.919 -0.921 149 1HG GLN 26 2HG GLN 26 8.024 -1.941 -1.748 150 2HG GLN 26 1HG GLN 26 6.872 -0.663 -1.355 151 1HE2 GLN 26 1HE2 GLN 26 10.074 -0.955 1.190 152 2HE2 GLN 26 2HE2 GLN 26 9.305 -2.479 0.693 153 H VAL 27 H VAL 27 7.351 -0.880 2.719 154 HA VAL 27 HA VAL 27 6.016 1.759 2.839 155 HB VAL 27 HB VAL 27 6.129 0.551 4.859 156 1HG1 VAL 27 3HG2 VAL 27 8.082 -0.921 4.557 157 2HG1 VAL 27 1HG2 VAL 27 9.176 0.468 4.691 158 3HG1 VAL 27 2HG2 VAL 27 8.190 -0.019 6.070 159 1HG2 VAL 27 2HG1 VAL 27 6.352 2.998 4.955 160 2HG2 VAL 27 3HG1 VAL 27 7.096 2.180 6.335 161 3HG2 VAL 27 1HG1 VAL 27 8.121 2.843 5.052 162 H LEU 28 H LEU 28 6.771 3.266 1.454 163 HA LEU 28 HA LEU 28 9.618 3.702 0.851 164 1HB LEU 28 1HB LEU 28 7.135 5.434 0.423 165 2HB LEU 28 2HB LEU 28 8.772 5.931 0.014 166 HG LEU 28 HG LEU 28 8.983 4.007 -1.548 167 1HD1 LEU 28 3HD1 LEU 28 6.029 3.619 -0.874 168 2HD1 LEU 28 1HD1 LEU 28 6.811 2.955 -2.326 169 3HD1 LEU 28 2HD1 LEU 28 7.329 2.419 -0.737 170 1HD2 LEU 28 3HD2 LEU 28 8.365 6.273 -2.324 171 2HD2 LEU 28 1HD2 LEU 28 7.545 5.039 -3.290 172 3HD2 LEU 28 2HD2 LEU 28 6.649 5.919 -2.037 173 H ASN 29 H ASN 29 7.285 5.773 2.529 174 HA ASN 29 HA ASN 29 9.123 6.114 4.845 175 1HB ASN 29 1HB ASN 29 8.213 8.360 5.231 176 2HB ASN 29 2HB ASN 29 9.016 8.257 3.672 177 1HD2 ASN 29 1HD2 ASN 29 5.231 9.459 3.686 178 2HD2 ASN 29 2HD2 ASN 29 6.168 9.386 5.181 179 HA PRO 30 HA PRO 30 6.058 4.212 7.470 180 1HB PRO 30 2HB PRO 30 6.163 6.892 8.907 181 2HB PRO 30 1HB PRO 30 6.001 5.261 9.626 182 1HG PRO 30 1HG PRO 30 8.455 6.392 9.469 183 2HG PRO 30 2HG PRO 30 8.250 4.685 8.989 184 1HD PRO 30 1HD PRO 30 8.564 7.100 7.222 185 2HD PRO 30 2HD PRO 30 9.166 5.431 7.001 186 H TYR 31 H TYR 31 5.157 7.606 6.700 187 HA TYR 31 HA TYR 31 2.276 6.990 6.745 188 1HB TYR 31 1HB TYR 31 3.762 9.579 6.211 189 2HB TYR 31 2HB TYR 31 2.026 9.404 6.398 190 HD1 TYR 31 HD1 TYR 31 1.024 8.687 8.580 191 HD2 TYR 31 HD2 TYR 31 5.198 9.705 8.228 192 HE1 TYR 31 HE1 TYR 31 1.237 8.639 11.051 193 HE2 TYR 31 HE2 TYR 31 5.373 9.763 10.722 194 HH TYR 31 HH TYR 31 2.584 9.024 12.803 195 H TYR 32 H TYR 32 4.214 6.011 4.448 196 HA TYR 32 HA TYR 32 2.065 6.142 2.435 197 1HB TYR 32 1HB TYR 32 3.802 7.934 1.921 198 2HB TYR 32 2HB TYR 32 4.906 6.630 1.519 199 HD1 TYR 32 HD1 TYR 32 3.534 4.700 -0.131 200 HD2 TYR 32 HD2 TYR 32 2.978 8.996 -0.006 201 HE1 TYR 32 HE1 TYR 32 2.248 4.602 -2.226 202 HE2 TYR 32 HE2 TYR 32 1.870 8.879 -2.233 203 HH TYR 32 HH TYR 32 1.272 5.787 -3.890 204 H SER 33 H SER 33 1.511 4.066 2.604 205 HA SER 33 HA SER 33 3.513 1.883 2.153 206 1HB SER 33 1HB SER 33 2.101 1.562 4.096 207 2HB SER 33 2HB SER 33 0.636 1.698 3.104 208 HG SER 33 HG SER 33 1.524 -0.523 3.462 209 H GLN 34 H GLN 34 3.639 0.893 0.270 210 HA GLN 34 HA GLN 34 1.771 1.498 -1.959 211 1HB GLN 34 1HB GLN 34 3.948 2.858 -1.694 212 2HB GLN 34 2HB GLN 34 4.806 1.377 -2.111 213 1HG GLN 34 1HG GLN 34 3.584 1.356 -4.310 214 2HG GLN 34 2HG GLN 34 2.708 2.806 -3.828 215 1HE2 GLN 34 2HE2 GLN 34 5.433 4.981 -4.495 216 2HE2 GLN 34 1HE2 GLN 34 3.995 4.861 -3.477 217 H CYS 35 H CYS 35 1.291 -0.170 -3.352 218 HA CYS 35 HA CYS 35 1.728 -2.869 -2.390 219 1HB CYS 35 1HB CYS 35 -0.430 -1.846 -3.053 220 2HB CYS 35 2HB CYS 35 0.090 -1.874 -4.736 221 H LEU 36 H LEU 36 3.913 -3.385 -2.825 222 HA LEU 36 HA LEU 36 4.695 -3.988 -5.653 223 1HB LEU 36 1HB LEU 36 6.340 -2.562 -3.519 224 2HB LEU 36 2HB LEU 36 7.075 -3.534 -4.788 225 HG LEU 36 HG LEU 36 5.898 -2.107 -6.510 226 1HD1 LEU 36 1HD2 LEU 36 5.545 -0.264 -4.090 227 2HD1 LEU 36 2HD2 LEU 36 5.406 0.237 -5.789 228 3HD1 LEU 36 3HD2 LEU 36 4.251 -0.905 -5.119 229 1HD2 LEU 36 1HD1 LEU 36 8.330 -1.970 -5.948 230 2HD2 LEU 36 2HD1 LEU 36 7.658 -0.403 -6.422 231 3HD2 LEU 36 3HD1 LEU 36 7.959 -0.756 -4.708 No H/Q in entry = 231 Start of MODEL 18 1 1H THR 1 1H THR 1 -3.017 -11.233 -9.815 2 2H THR 1 2H THR 1 -3.705 -10.279 -8.638 3 3H THR 1 3H THR 1 -3.828 -9.815 -10.206 4 HA THR 1 HA THR 1 -1.558 -9.179 -10.221 5 HB THR 1 HB THR 1 -1.438 -7.871 -7.905 6 HG1 THR 1 HG1 THR 1 -3.383 -7.868 -6.863 7 1HG2 THR 1 2HG2 THR 1 -2.096 -6.797 -10.068 8 2HG2 THR 1 3HG2 THR 1 -3.779 -7.329 -9.803 9 3HG2 THR 1 1HG2 THR 1 -2.995 -6.206 -8.672 10 H GLN 2 H GLN 2 0.188 -10.414 -10.197 11 HA GLN 2 HA GLN 2 1.096 -11.837 -7.714 12 1HB GLN 2 1HB GLN 2 1.065 -12.540 -10.677 13 2HB GLN 2 2HB GLN 2 2.241 -13.258 -9.579 14 1HG GLN 2 1HG GLN 2 0.310 -14.722 -9.835 15 2HG GLN 2 2HG GLN 2 0.573 -14.212 -8.171 16 1HE2 GLN 2 2HE2 GLN 2 -2.951 -13.907 -8.097 17 2HE2 GLN 2 1HE2 GLN 2 -1.546 -14.801 -7.542 18 H SER 3 H SER 3 2.058 -9.568 -10.143 19 HA SER 3 HA SER 3 4.093 -8.757 -8.202 20 1HB SER 3 1HB SER 3 5.341 -9.308 -10.303 21 2HB SER 3 2HB SER 3 4.340 -8.134 -11.174 22 HG SER 3 HG SER 3 5.180 -6.714 -9.239 23 H HIS 4 H HIS 4 3.602 -6.608 -7.516 24 HA HIS 4 HA HIS 4 2.632 -4.624 -7.290 25 1HB HIS 4 1HB HIS 4 1.409 -4.941 -10.035 26 2HB HIS 4 2HB HIS 4 1.562 -3.471 -9.067 27 HD2 HIS 4 HD2 HIS 4 4.225 -2.580 -8.600 28 HE1 HIS 4 HE1 HIS 4 5.892 -4.930 -11.705 29 HE2 HIS 4 HE2 HIS 4 6.312 -2.946 -10.159 30 H ALA 5 H ALA 5 1.659 -6.082 -5.584 31 HA ALA 5 HA ALA 5 -1.233 -6.561 -5.647 32 1HB ALA 5 3HB ALA 5 0.984 -7.210 -3.697 33 2HB ALA 5 1HB ALA 5 -0.652 -7.779 -3.512 34 3HB ALA 5 2HB ALA 5 0.294 -8.290 -4.918 35 H GLY 6 H GLY 6 -2.290 -4.560 -5.457 36 1HA GLY 6 1HA GLY 6 -1.249 -2.323 -4.397 37 2HA GLY 6 2HA GLY 6 -2.973 -2.552 -4.584 38 H GLN 7 H GLN 7 -1.175 -1.078 -2.715 39 HA GLN 7 HA GLN 7 -1.027 -0.798 -0.375 40 1HB GLN 7 1HB GLN 7 -1.753 1.044 -1.761 41 2HB GLN 7 2HB GLN 7 -3.449 0.569 -1.577 42 1HG GLN 7 1HG GLN 7 -3.360 1.030 0.841 43 2HG GLN 7 2HG GLN 7 -1.633 1.335 0.756 44 1HE2 GLN 7 2HE2 GLN 7 -3.629 4.545 0.754 45 2HE2 GLN 7 1HE2 GLN 7 -3.890 3.088 1.704 46 H CYS 8 H CYS 8 -1.297 -2.521 1.007 47 HA CYS 8 HA CYS 8 -3.556 -3.257 2.490 48 1HB CYS 8 2HB CYS 8 -1.967 -3.288 4.418 49 2HB CYS 8 1HB CYS 8 -1.295 -4.026 2.959 50 H GLY 9 H GLY 9 -1.841 -0.151 2.746 51 1HA GLY 9 2HA GLY 9 -3.129 1.888 3.549 52 2HA GLY 9 1HA GLY 9 -3.745 0.856 4.846 53 H GLY 10 H GLY 10 -2.061 3.281 4.969 54 1HA GLY 10 1HA GLY 10 0.239 2.272 6.640 55 2HA GLY 10 2HA GLY 10 0.512 3.541 5.442 56 H ILE 11 H ILE 11 1.213 4.894 7.360 57 HA ILE 11 HA ILE 11 -0.801 5.674 9.306 58 HB ILE 11 HB ILE 11 1.702 7.192 8.521 59 1HG1 ILE 11 2HG1 ILE 11 1.271 5.195 10.807 60 2HG1 ILE 11 1HG1 ILE 11 2.148 4.829 9.319 61 1HG2 ILE 11 2HG2 ILE 11 -0.007 8.549 9.752 62 2HG2 ILE 11 3HG2 ILE 11 -0.097 7.300 11.001 63 3HG2 ILE 11 1HG2 ILE 11 1.388 8.244 10.774 64 1HD1 ILE 11 2HD1 ILE 11 3.759 6.667 9.819 65 2HD1 ILE 11 3HD1 ILE 11 3.007 6.838 11.421 66 3HD1 ILE 11 1HD1 ILE 11 3.780 5.314 10.962 67 H GLY 12 H GLY 12 -2.307 7.372 9.220 68 1HA GLY 12 1HA GLY 12 -3.586 9.116 8.320 69 2HA GLY 12 2HA GLY 12 -2.395 9.352 7.044 70 H TYR 13 H TYR 13 -2.299 7.299 5.528 71 HA TYR 13 HA TYR 13 -4.856 6.734 4.220 72 1HB TYR 13 1HB TYR 13 -2.012 5.701 3.948 73 2HB TYR 13 2HB TYR 13 -3.353 5.040 3.027 74 HD1 TYR 13 HD1 TYR 13 -4.231 8.447 3.036 75 HD2 TYR 13 HD2 TYR 13 -1.341 5.653 1.419 76 HE1 TYR 13 HE1 TYR 13 -4.086 9.774 0.948 77 HE2 TYR 13 HE2 TYR 13 -1.561 6.777 -0.776 78 HH TYR 13 HH TYR 13 -2.117 8.682 -1.813 79 H SER 14 H SER 14 -5.858 6.096 6.291 80 HA SER 14 HA SER 14 -5.577 3.400 7.300 81 1HB SER 14 2HB SER 14 -6.605 5.306 8.522 82 2HB SER 14 1HB SER 14 -7.991 5.237 7.415 83 HG SER 14 HG SER 14 -8.595 3.883 9.038 84 H GLY 15 H GLY 15 -5.349 2.463 5.093 85 1HA GLY 15 2HA GLY 15 -6.497 0.395 4.375 86 2HA GLY 15 1HA GLY 15 -7.969 1.324 4.122 87 HA PRO 16 HA PRO 16 -5.624 0.554 0.194 88 1HB PRO 16 2HB PRO 16 -8.355 -0.286 -0.775 89 2HB PRO 16 1HB PRO 16 -6.784 -1.077 -1.052 90 1HG PRO 16 2HG PRO 16 -8.480 -2.084 0.761 91 2HG PRO 16 1HG PRO 16 -6.750 -1.929 1.196 92 1HD PRO 16 1HD PRO 16 -9.023 0.009 1.808 93 2HD PRO 16 2HD PRO 16 -7.862 -0.744 2.937 94 H THR 17 H THR 17 -5.540 3.113 0.216 95 HA THR 17 HA THR 17 -7.152 4.456 -1.807 96 HB THR 17 HB THR 17 -4.320 5.321 -1.116 97 HG1 THR 17 HG1 THR 17 -6.698 5.551 0.381 98 1HG2 THR 17 2HG2 THR 17 -6.892 6.822 -1.800 99 2HG2 THR 17 3HG2 THR 17 -5.314 7.555 -1.472 100 3HG2 THR 17 1HG2 THR 17 -5.534 6.557 -2.910 101 H VAL 18 H VAL 18 -6.939 2.372 -3.130 102 HA VAL 18 HA VAL 18 -4.276 1.598 -3.775 103 HB VAL 18 HB VAL 18 -5.985 0.319 -2.584 104 1HG1 VAL 18 3HG2 VAL 18 -8.018 0.757 -3.962 105 2HG1 VAL 18 1HG2 VAL 18 -7.286 -0.126 -5.313 106 3HG1 VAL 18 2HG2 VAL 18 -7.706 -0.979 -3.824 107 1HG2 VAL 18 2HG1 VAL 18 -4.017 -0.766 -3.641 108 2HG2 VAL 18 3HG1 VAL 18 -5.396 -1.835 -3.321 109 3HG2 VAL 18 1HG1 VAL 18 -5.083 -1.292 -4.973 110 H CYS 19 H CYS 19 -3.577 0.346 -5.523 111 HA CYS 19 HA CYS 19 -4.212 1.280 -8.258 112 1HB CYS 19 1HB CYS 19 -2.265 -0.038 -8.882 113 2HB CYS 19 2HB CYS 19 -1.859 0.924 -7.465 114 H ALA 20 H ALA 20 -3.551 -1.725 -9.038 115 HA ALA 20 HA ALA 20 -6.216 -2.952 -8.887 116 1HB ALA 20 2HB ALA 20 -4.683 -3.429 -10.756 117 2HB ALA 20 3HB ALA 20 -3.482 -4.077 -9.624 118 3HB ALA 20 1HB ALA 20 -5.045 -4.904 -9.843 119 H SER 21 H SER 21 -6.542 -5.019 -7.685 120 HA SER 21 HA SER 21 -5.980 -4.705 -4.897 121 1HB SER 21 1HB SER 21 -8.008 -5.718 -5.780 122 2HB SER 21 2HB SER 21 -7.092 -7.107 -6.397 123 HG SER 21 HG SER 21 -8.115 -7.368 -4.232 124 H GLY 22 H GLY 22 -5.392 -6.960 -3.678 125 1HA GLY 22 2HA GLY 22 -4.021 -8.991 -4.027 126 2HA GLY 22 1HA GLY 22 -2.694 -8.004 -4.596 127 H THR 23 H THR 23 -2.867 -5.967 -2.500 128 HA THR 23 HA THR 23 -2.447 -5.473 -0.375 129 HB THR 23 HB THR 23 -3.265 -8.250 0.521 130 HG1 THR 23 HG1 THR 23 -5.405 -7.445 0.414 131 1HG2 THR 23 2HG2 THR 23 -2.645 -6.578 2.303 132 2HG2 THR 23 3HG2 THR 23 -3.851 -5.465 1.628 133 3HG2 THR 23 1HG2 THR 23 -4.358 -7.003 2.350 134 H THR 24 H THR 24 -0.049 -5.924 -1.554 135 HA THR 24 HA THR 24 1.634 -7.134 0.590 136 HB THR 24 HB THR 24 3.521 -5.925 -0.629 137 HG1 THR 24 HG1 THR 24 2.550 -5.823 -2.993 138 1HG2 THR 24 3HG2 THR 24 2.018 -8.161 -2.018 139 2HG2 THR 24 1HG2 THR 24 3.667 -7.637 -2.412 140 3HG2 THR 24 2HG2 THR 24 3.305 -8.302 -0.817 141 H CYS 25 H CYS 25 3.286 -5.589 1.591 142 HA CYS 25 HA CYS 25 2.187 -2.950 2.230 143 1HB CYS 25 1HB CYS 25 1.146 -4.915 3.680 144 2HB CYS 25 2HB CYS 25 2.662 -4.807 4.575 145 H GLN 26 H GLN 26 3.592 -1.476 3.179 146 HA GLN 26 HA GLN 26 6.510 -1.959 3.027 147 1HB GLN 26 1HB GLN 26 5.562 -2.359 0.756 148 2HB GLN 26 2HB GLN 26 4.761 -0.789 0.813 149 1HG GLN 26 2HG GLN 26 6.758 -0.933 -0.689 150 2HG GLN 26 1HG GLN 26 6.832 0.369 0.482 151 1HE2 GLN 26 2HE2 GLN 26 9.306 -2.791 1.319 152 2HE2 GLN 26 1HE2 GLN 26 7.584 -3.137 1.074 153 H VAL 27 H VAL 27 7.708 0.213 2.618 154 HA VAL 27 HA VAL 27 6.193 2.647 3.407 155 HB VAL 27 HB VAL 27 7.204 1.979 5.424 156 1HG1 VAL 27 3HG2 VAL 27 8.980 0.423 4.679 157 2HG1 VAL 27 1HG2 VAL 27 9.934 1.788 4.068 158 3HG1 VAL 27 2HG2 VAL 27 9.601 1.642 5.798 159 1HG2 VAL 27 2HG1 VAL 27 7.288 4.362 4.814 160 2HG2 VAL 27 3HG1 VAL 27 8.558 3.909 5.952 161 3HG2 VAL 27 1HG1 VAL 27 8.957 4.177 4.246 162 H LEU 28 H LEU 28 6.133 3.668 1.435 163 HA LEU 28 HA LEU 28 8.665 4.251 -0.044 164 1HB LEU 28 1HB LEU 28 5.738 4.926 -0.464 165 2HB LEU 28 2HB LEU 28 6.987 5.937 -1.182 166 HG LEU 28 HG LEU 28 7.978 4.031 -2.342 167 1HD1 LEU 28 1HD2 LEU 28 5.699 2.415 -1.118 168 2HD1 LEU 28 2HD2 LEU 28 6.692 1.874 -2.489 169 3HD1 LEU 28 3HD2 LEU 28 7.447 2.152 -0.921 170 1HD2 LEU 28 1HD1 LEU 28 4.989 4.383 -2.825 171 2HD2 LEU 28 2HD1 LEU 28 6.289 5.383 -3.487 172 3HD2 LEU 28 3HD1 LEU 28 6.143 3.690 -3.982 173 H ASN 29 H ASN 29 6.172 6.222 1.477 174 HA ASN 29 HA ASN 29 8.196 7.432 3.298 175 1HB ASN 29 1HB ASN 29 6.774 9.479 3.461 176 2HB ASN 29 2HB ASN 29 7.460 9.232 1.870 177 1HD2 ASN 29 1HD2 ASN 29 3.592 9.781 1.986 178 2HD2 ASN 29 2HD2 ASN 29 4.643 10.266 3.318 179 HA PRO 30 HA PRO 30 5.955 5.387 6.502 180 1HB PRO 30 2HB PRO 30 5.524 7.347 8.484 181 2HB PRO 30 1HB PRO 30 6.994 6.372 8.244 182 1HG PRO 30 2HG PRO 30 6.412 9.177 7.294 183 2HG PRO 30 1HG PRO 30 7.928 8.529 7.974 184 1HD PRO 30 2HD PRO 30 7.646 8.890 5.320 185 2HD PRO 30 1HD PRO 30 8.500 7.454 5.931 186 H TYR 31 H TYR 31 4.446 8.395 5.434 187 HA TYR 31 HA TYR 31 1.733 7.400 6.040 188 1HB TYR 31 1HB TYR 31 2.521 9.971 4.653 189 2HB TYR 31 2HB TYR 31 0.966 9.553 5.344 190 HD1 TYR 31 HD2 TYR 31 4.464 10.543 6.121 191 HD2 TYR 31 HD1 TYR 31 0.558 9.719 7.770 192 HE1 TYR 31 HE2 TYR 31 5.161 11.554 8.283 193 HE2 TYR 31 HE1 TYR 31 1.277 10.757 9.934 194 HH TYR 31 HH TYR 31 4.548 12.083 10.381 195 H TYR 32 H TYR 32 3.657 6.216 3.793 196 HA TYR 32 HA TYR 32 1.338 5.461 2.235 197 1HB TYR 32 2HB TYR 32 2.528 7.596 1.212 198 2HB TYR 32 1HB TYR 32 3.597 6.404 0.503 199 HD1 TYR 32 HD1 TYR 32 1.029 4.318 0.196 200 HD2 TYR 32 HD2 TYR 32 1.755 8.431 -0.891 201 HE1 TYR 32 HE1 TYR 32 -0.197 3.977 -1.927 202 HE2 TYR 32 HE2 TYR 32 0.395 8.099 -2.952 203 HH TYR 32 HH TYR 32 -1.198 5.035 -3.686 204 H SER 33 H SER 33 1.494 3.442 2.812 205 HA SER 33 HA SER 33 3.643 1.631 1.795 206 1HB SER 33 1HB SER 33 2.481 0.941 3.885 207 2HB SER 33 2HB SER 33 0.926 1.007 3.058 208 HG SER 33 HG SER 33 1.637 -0.641 1.647 209 H GLN 34 H GLN 34 3.526 0.959 -0.343 210 HA GLN 34 HA GLN 34 1.160 1.887 -1.904 211 1HB GLN 34 1HB GLN 34 3.358 3.015 -2.021 212 2HB GLN 34 2HB GLN 34 4.032 1.599 -2.800 213 1HG GLN 34 1HG GLN 34 1.502 2.579 -4.094 214 2HG GLN 34 2HG GLN 34 2.706 3.853 -3.946 215 1HE2 GLN 34 2HE2 GLN 34 3.602 2.598 -7.157 216 2HE2 GLN 34 1HE2 GLN 34 2.603 3.830 -6.375 217 H CYS 35 H CYS 35 2.929 0.163 -4.108 218 HA CYS 35 HA CYS 35 0.914 -2.062 -4.095 219 1HB CYS 35 1HB CYS 35 0.082 -0.075 -5.295 220 2HB CYS 35 2HB CYS 35 1.587 0.038 -6.201 221 H LEU 36 H LEU 36 2.500 -3.710 -3.630 222 HA LEU 36 HA LEU 36 4.884 -3.849 -5.440 223 1HB LEU 36 1HB LEU 36 4.697 -4.995 -2.634 224 2HB LEU 36 2HB LEU 36 6.100 -4.747 -3.646 225 HG LEU 36 HG LEU 36 6.274 -3.151 -1.987 226 1HD1 LEU 36 2HD1 LEU 36 6.681 -2.212 -4.238 227 2HD1 LEU 36 3HD1 LEU 36 5.046 -1.530 -4.245 228 3HD1 LEU 36 1HD1 LEU 36 6.221 -0.988 -3.046 229 1HD2 LEU 36 2HD2 LEU 36 3.331 -2.404 -2.246 230 2HD2 LEU 36 3HD2 LEU 36 4.134 -3.253 -0.934 231 3HD2 LEU 36 1HD2 LEU 36 4.517 -1.555 -1.283 No H/Q in entry = 231 Start of MODEL 19 1 1H THR 1 3H THR 1 -1.058 -13.075 -7.833 2 2H THR 1 1H THR 1 -2.154 -12.312 -6.896 3 3H THR 1 2H THR 1 -2.610 -13.648 -7.768 4 HA THR 1 HA THR 1 -2.229 -12.524 -9.843 5 HB THR 1 HB THR 1 -4.461 -12.386 -8.970 6 HG1 THR 1 HG1 THR 1 -5.058 -10.450 -10.075 7 1HG2 THR 1 3HG2 THR 1 -3.599 -9.828 -7.553 8 2HG2 THR 1 1HG2 THR 1 -5.287 -10.266 -7.901 9 3HG2 THR 1 2HG2 THR 1 -4.336 -11.294 -6.849 10 H GLN 2 H GLN 2 -2.608 -9.535 -10.004 11 HA GLN 2 HA GLN 2 0.312 -8.952 -10.051 12 1HB GLN 2 2HB GLN 2 -1.317 -8.863 -12.036 13 2HB GLN 2 1HB GLN 2 -1.896 -7.345 -11.358 14 1HG GLN 2 1HG GLN 2 0.983 -8.052 -12.170 15 2HG GLN 2 2HG GLN 2 -0.135 -7.075 -13.113 16 1HE2 GLN 2 2HE2 GLN 2 1.962 -5.357 -10.090 17 2HE2 GLN 2 1HE2 GLN 2 2.125 -7.067 -10.395 18 H SER 3 H SER 3 1.026 -8.164 -8.056 19 HA SER 3 HA SER 3 -0.144 -6.083 -6.439 20 1HB SER 3 1HB SER 3 2.314 -5.829 -5.707 21 2HB SER 3 2HB SER 3 1.487 -7.336 -5.357 22 HG SER 3 HG SER 3 3.666 -7.455 -6.354 23 H HIS 4 H HIS 4 -0.939 -4.638 -8.111 24 HA HIS 4 HA HIS 4 0.821 -3.216 -9.888 25 1HB HIS 4 1HB HIS 4 -1.684 -3.638 -10.072 26 2HB HIS 4 2HB HIS 4 -1.916 -2.318 -8.921 27 HD2 HIS 4 HD2 HIS 4 -1.660 -2.942 -12.598 28 HE1 HIS 4 HE1 HIS 4 -0.513 1.115 -12.113 29 HE2 HIS 4 HE2 HIS 4 -1.256 -0.631 -13.821 30 H ALA 5 H ALA 5 1.873 -1.307 -9.725 31 HA ALA 5 HA ALA 5 2.899 -0.572 -7.187 32 1HB ALA 5 1HB ALA 5 4.160 -0.683 -9.329 33 2HB ALA 5 2HB ALA 5 3.317 0.783 -9.877 34 3HB ALA 5 3HB ALA 5 4.399 0.849 -8.469 35 H GLY 6 H GLY 6 0.251 0.100 -6.903 36 1HA GLY 6 1HA GLY 6 0.143 3.077 -6.529 37 2HA GLY 6 2HA GLY 6 -1.236 1.972 -6.555 38 H GLN 7 H GLN 7 -1.553 3.270 -4.413 39 HA GLN 7 HA GLN 7 -0.015 2.338 -2.078 40 1HB GLN 7 1HB GLN 7 -0.954 4.627 -2.326 41 2HB GLN 7 2HB GLN 7 -2.567 3.924 -2.293 42 1HG GLN 7 2HG GLN 7 -2.140 3.131 0.050 43 2HG GLN 7 1HG GLN 7 -0.502 3.813 -0.045 44 1HE2 GLN 7 2HE2 GLN 7 -2.075 6.589 1.553 45 2HE2 GLN 7 1HE2 GLN 7 -1.004 5.225 1.839 46 H CYS 8 H CYS 8 -0.789 0.867 -0.461 47 HA CYS 8 HA CYS 8 -2.866 -1.085 -1.358 48 1HB CYS 8 2HB CYS 8 -1.990 -2.520 0.425 49 2HB CYS 8 1HB CYS 8 -0.789 -2.050 -0.761 50 H GLY 9 H GLY 9 -2.439 1.197 1.238 51 1HA GLY 9 1HA GLY 9 -4.630 1.980 2.399 52 2HA GLY 9 2HA GLY 9 -4.910 0.263 2.691 53 H GLY 10 H GLY 10 -2.626 2.912 3.331 54 1HA GLY 10 1HA GLY 10 -0.982 1.169 5.132 55 2HA GLY 10 2HA GLY 10 -0.461 2.621 4.277 56 H ILE 11 H ILE 11 0.420 2.501 6.716 57 HA ILE 11 HA ILE 11 -0.791 3.376 8.974 58 HB ILE 11 HB ILE 11 1.722 4.673 7.854 59 1HG1 ILE 11 2HG1 ILE 11 1.478 2.258 9.713 60 2HG1 ILE 11 1HG1 ILE 11 1.911 2.170 8.002 61 1HG2 ILE 11 2HG2 ILE 11 0.693 5.920 9.789 62 2HG2 ILE 11 3HG2 ILE 11 0.721 4.422 10.736 63 3HG2 ILE 11 1HG2 ILE 11 2.226 5.214 10.228 64 1HD1 ILE 11 2HD1 ILE 11 3.945 3.528 8.422 65 2HD1 ILE 11 3HD1 ILE 11 3.586 3.519 10.160 66 3HD1 ILE 11 1HD1 ILE 11 3.918 2.006 9.319 67 H GLY 12 H GLY 12 -2.377 4.828 9.359 68 1HA GLY 12 2HA GLY 12 -3.331 6.957 9.584 69 2HA GLY 12 1HA GLY 12 -2.211 7.645 8.418 70 H TYR 13 H TYR 13 -2.658 6.104 6.132 71 HA TYR 13 HA TYR 13 -5.397 6.957 5.351 72 1HB TYR 13 1HB TYR 13 -3.346 7.427 4.002 73 2HB TYR 13 2HB TYR 13 -3.348 5.738 3.515 74 HD1 TYR 13 HD2 TYR 13 -6.519 5.464 3.179 75 HD2 TYR 13 HD1 TYR 13 -3.743 8.576 1.980 76 HE1 TYR 13 HE2 TYR 13 -7.872 5.910 1.205 77 HE2 TYR 13 HE1 TYR 13 -5.168 9.011 -0.018 78 HH TYR 13 HH TYR 13 -7.896 6.876 -0.856 79 H SER 14 H SER 14 -6.101 5.406 7.054 80 HA SER 14 HA SER 14 -6.528 2.594 6.214 81 1HB SER 14 1HB SER 14 -7.551 4.181 8.611 82 2HB SER 14 2HB SER 14 -7.813 2.456 8.338 83 HG SER 14 HG SER 14 -5.345 2.455 8.121 84 H GLY 15 H GLY 15 -7.494 3.414 4.112 85 1HA GLY 15 1HA GLY 15 -10.422 3.352 4.177 86 2HA GLY 15 2HA GLY 15 -9.773 4.968 3.855 87 HA PRO 16 HA PRO 16 -10.659 2.785 -0.206 88 1HB PRO 16 2HB PRO 16 -11.392 5.682 -0.700 89 2HB PRO 16 1HB PRO 16 -12.091 4.211 -1.430 90 1HG PRO 16 2HG PRO 16 -13.374 5.332 0.652 91 2HG PRO 16 1HG PRO 16 -13.074 3.574 0.705 92 1HD PRO 16 1HD PRO 16 -11.431 5.773 2.022 93 2HD PRO 16 2HD PRO 16 -12.082 4.275 2.750 94 H THR 17 H THR 17 -8.424 2.389 -0.303 95 HA THR 17 HA THR 17 -7.326 3.457 -2.761 96 HB THR 17 HB THR 17 -6.445 5.118 -1.188 97 HG1 THR 17 HG1 THR 17 -4.319 4.944 -1.870 98 1HG2 THR 17 2HG2 THR 17 -6.137 3.534 0.811 99 2HG2 THR 17 3HG2 THR 17 -4.643 2.991 0.023 100 3HG2 THR 17 1HG2 THR 17 -4.834 4.681 0.486 101 H VAL 18 H VAL 18 -8.301 1.181 -2.700 102 HA VAL 18 HA VAL 18 -6.676 -0.889 -1.393 103 HB VAL 18 HB VAL 18 -9.041 -0.733 -0.935 104 1HG1 VAL 18 3HG2 VAL 18 -9.897 -0.022 -3.185 105 2HG1 VAL 18 1HG2 VAL 18 -9.600 -1.667 -3.781 106 3HG1 VAL 18 2HG2 VAL 18 -10.772 -1.391 -2.490 107 1HG2 VAL 18 2HG1 VAL 18 -7.864 -2.890 -0.678 108 2HG2 VAL 18 3HG1 VAL 18 -9.571 -3.107 -1.096 109 3HG2 VAL 18 1HG1 VAL 18 -8.326 -3.342 -2.333 110 H CYS 19 H CYS 19 -5.318 -2.213 -2.351 111 HA CYS 19 HA CYS 19 -5.083 -2.420 -5.288 112 1HB CYS 19 2HB CYS 19 -3.175 -1.877 -3.787 113 2HB CYS 19 1HB CYS 19 -3.330 -3.475 -3.047 114 H ALA 20 H ALA 20 -4.554 -4.517 -6.304 115 HA ALA 20 HA ALA 20 -6.432 -6.638 -5.829 116 1HB ALA 20 2HB ALA 20 -5.539 -6.080 -8.065 117 2HB ALA 20 3HB ALA 20 -3.917 -6.569 -7.540 118 3HB ALA 20 1HB ALA 20 -5.218 -7.771 -7.652 119 H SER 21 H SER 21 -6.134 -8.729 -5.089 120 HA SER 21 HA SER 21 -4.608 -8.943 -2.749 121 1HB SER 21 1HB SER 21 -6.777 -10.041 -3.101 122 2HB SER 21 2HB SER 21 -6.017 -11.191 -4.217 123 HG SER 21 HG SER 21 -5.488 -10.879 -1.426 124 H GLY 22 H GLY 22 -3.225 -10.565 -1.975 125 1HA GLY 22 1HA GLY 22 -1.128 -12.009 -2.883 126 2HA GLY 22 2HA GLY 22 -0.716 -10.397 -3.508 127 H THR 23 H THR 23 -1.600 -8.728 -1.598 128 HA THR 23 HA THR 23 -1.552 -7.881 0.473 129 HB THR 23 HB THR 23 -1.018 -10.615 1.660 130 HG1 THR 23 HG1 THR 23 -3.253 -10.958 1.451 131 1HG2 THR 23 3HG2 THR 23 -2.861 -8.315 2.497 132 2HG2 THR 23 1HG2 THR 23 -2.679 -9.860 3.349 133 3HG2 THR 23 2HG2 THR 23 -1.333 -8.727 3.292 134 H THR 24 H THR 24 1.063 -8.369 -1.026 135 HA THR 24 HA THR 24 3.056 -7.755 1.074 136 HB THR 24 HB THR 24 4.584 -7.642 -0.952 137 HG1 THR 24 HG1 THR 24 3.595 -7.613 -2.778 138 1HG2 THR 24 3HG2 THR 24 3.053 -10.242 -0.514 139 2HG2 THR 24 1HG2 THR 24 4.632 -10.093 -1.299 140 3HG2 THR 24 2HG2 THR 24 4.458 -9.684 0.420 141 H CYS 25 H CYS 25 4.049 -5.747 1.201 142 HA CYS 25 HA CYS 25 3.332 -3.564 -0.496 143 1HB CYS 25 1HB CYS 25 1.229 -3.914 0.957 144 2HB CYS 25 2HB CYS 25 2.173 -3.272 2.297 145 H GLN 26 H GLN 26 4.919 -2.192 -0.555 146 HA GLN 26 HA GLN 26 7.239 -2.206 1.174 147 1HB GLN 26 1HB GLN 26 7.155 -2.037 -1.326 148 2HB GLN 26 2HB GLN 26 6.422 -0.446 -1.200 149 1HG GLN 26 2HG GLN 26 8.841 -0.474 -1.801 150 2HG GLN 26 1HG GLN 26 8.499 0.506 -0.389 151 1HE2 GLN 26 2HE2 GLN 26 10.336 -3.102 0.358 152 2HE2 GLN 26 1HE2 GLN 26 8.935 -3.097 -0.722 153 H VAL 27 H VAL 27 8.279 0.030 1.716 154 HA VAL 27 HA VAL 27 6.344 2.109 2.657 155 HB VAL 27 HB VAL 27 7.151 1.018 4.609 156 1HG1 VAL 27 3HG2 VAL 27 9.228 -0.070 3.785 157 2HG1 VAL 27 1HG2 VAL 27 10.030 1.509 3.719 158 3HG1 VAL 27 2HG2 VAL 27 9.505 0.846 5.271 159 1HG2 VAL 27 2HG1 VAL 27 6.972 3.506 4.648 160 2HG2 VAL 27 3HG1 VAL 27 8.132 2.855 5.816 161 3HG2 VAL 27 1HG1 VAL 27 8.715 3.617 4.329 162 H LEU 28 H LEU 28 6.570 3.948 1.460 163 HA LEU 28 HA LEU 28 9.215 4.639 0.214 164 1HB LEU 28 1HB LEU 28 6.380 5.585 -0.189 165 2HB LEU 28 2HB LEU 28 7.729 6.641 -0.614 166 HG LEU 28 HG LEU 28 8.640 5.075 -2.169 167 1HD1 LEU 28 1HD2 LEU 28 6.404 3.181 -1.330 168 2HD1 LEU 28 2HD2 LEU 28 7.401 2.975 -2.785 169 3HD1 LEU 28 3HD2 LEU 28 8.155 2.911 -1.193 170 1HD2 LEU 28 2HD1 LEU 28 6.818 6.618 -2.912 171 2HD2 LEU 28 3HD1 LEU 28 6.872 5.121 -3.855 172 3HD2 LEU 28 1HD1 LEU 28 5.627 5.336 -2.606 173 H ASN 29 H ASN 29 7.150 7.195 1.400 174 HA ASN 29 HA ASN 29 8.901 7.714 3.751 175 1HB ASN 29 1HB ASN 29 7.457 9.625 4.180 176 2HB ASN 29 2HB ASN 29 8.051 9.662 2.526 177 1HD2 ASN 29 1HD2 ASN 29 4.100 9.654 3.063 178 2HD2 ASN 29 2HD2 ASN 29 5.208 9.975 4.402 179 HA PRO 30 HA PRO 30 6.684 5.172 6.729 180 1HB PRO 30 2HB PRO 30 6.118 7.891 7.979 181 2HB PRO 30 1HB PRO 30 6.438 6.344 8.814 182 1HG PRO 30 1HG PRO 30 8.480 8.072 8.404 183 2HG PRO 30 2HG PRO 30 8.726 6.339 8.059 184 1HD PRO 30 1HD PRO 30 8.301 8.589 6.115 185 2HD PRO 30 2HD PRO 30 9.290 7.109 5.951 186 H TYR 31 H TYR 31 4.783 8.137 5.941 187 HA TYR 31 HA TYR 31 2.228 6.740 6.294 188 1HB TYR 31 1HB TYR 31 2.943 9.590 5.545 189 2HB TYR 31 2HB TYR 31 1.300 8.997 5.668 190 HD1 TYR 31 HD2 TYR 31 0.269 8.381 7.803 191 HD2 TYR 31 HD1 TYR 31 4.332 9.845 7.642 192 HE1 TYR 31 HE2 TYR 31 0.250 8.718 10.265 193 HE2 TYR 31 HE1 TYR 31 4.296 10.169 10.119 194 HH TYR 31 HH TYR 31 1.429 9.377 12.070 195 H TYR 32 H TYR 32 4.233 6.560 3.647 196 HA TYR 32 HA TYR 32 1.914 5.959 1.844 197 1HB TYR 32 1HB TYR 32 3.388 7.873 1.105 198 2HB TYR 32 2HB TYR 32 4.642 6.687 0.805 199 HD1 TYR 32 HD2 TYR 32 3.196 4.385 -0.517 200 HD2 TYR 32 HD1 TYR 32 2.667 8.670 -0.968 201 HE1 TYR 32 HE2 TYR 32 2.161 4.035 -2.703 202 HE2 TYR 32 HE1 TYR 32 1.704 8.267 -3.227 203 HH TYR 32 HH TYR 32 1.216 4.981 -4.509 204 H SER 33 H SER 33 1.670 3.868 2.487 205 HA SER 33 HA SER 33 3.887 1.963 2.018 206 1HB SER 33 1HB SER 33 2.585 1.755 4.083 207 2HB SER 33 2HB SER 33 1.131 1.391 3.123 208 HG SER 33 HG SER 33 3.514 -0.125 2.816 209 H GLN 34 H GLN 34 4.178 1.145 0.045 210 HA GLN 34 HA GLN 34 2.066 1.446 -2.034 211 1HB GLN 34 1HB GLN 34 4.208 2.729 -2.194 212 2HB GLN 34 2HB GLN 34 5.064 1.203 -2.414 213 1HG GLN 34 1HG GLN 34 3.677 0.786 -4.489 214 2HG GLN 34 2HG GLN 34 2.851 2.319 -4.227 215 1HE2 GLN 34 2HE2 GLN 34 5.461 4.200 -5.667 216 2HE2 GLN 34 1HE2 GLN 34 3.878 4.273 -4.889 217 H CYS 35 H CYS 35 1.284 -0.250 -3.193 218 HA CYS 35 HA CYS 35 1.493 -2.908 -2.195 219 1HB CYS 35 1HB CYS 35 -0.540 -1.817 -3.083 220 2HB CYS 35 2HB CYS 35 0.165 -1.841 -4.685 221 H LEU 36 H LEU 36 3.878 -2.992 -2.534 222 HA LEU 36 HA LEU 36 4.629 -4.537 -4.991 223 1HB LEU 36 1HB LEU 36 6.122 -2.773 -3.058 224 2HB LEU 36 2HB LEU 36 6.980 -4.074 -3.865 225 HG LEU 36 HG LEU 36 6.664 -3.141 -6.022 226 1HD1 LEU 36 3HD1 LEU 36 4.739 -1.181 -4.722 227 2HD1 LEU 36 1HD1 LEU 36 5.449 -0.915 -6.328 228 3HD1 LEU 36 2HD1 LEU 36 4.414 -2.316 -6.057 229 1HD2 LEU 36 3HD2 LEU 36 8.431 -2.131 -4.578 230 2HD2 LEU 36 1HD2 LEU 36 7.794 -0.956 -5.746 231 3HD2 LEU 36 2HD2 LEU 36 7.275 -0.888 -4.052 No H/Q in entry = 231 Start of MODEL 20 1 1H THR 1 2H THR 1 -1.905 -10.387 -10.954 2 2H THR 1 3H THR 1 -1.584 -10.327 -9.356 3 3H THR 1 1H THR 1 -2.423 -11.607 -9.960 4 HA THR 1 HA THR 1 -4.305 -10.241 -10.496 5 HB THR 1 HB THR 1 -4.154 -11.106 -8.176 6 HG1 THR 1 HG1 THR 1 -5.670 -9.730 -7.322 7 1HG2 THR 1 1HG2 THR 1 -2.948 -8.350 -7.549 8 2HG2 THR 1 2HG2 THR 1 -3.613 -9.482 -6.385 9 3HG2 THR 1 3HG2 THR 1 -2.179 -9.930 -7.291 10 H GLN 2 H GLN 2 -5.102 -7.793 -9.188 11 HA GLN 2 HA GLN 2 -3.880 -5.862 -11.032 12 1HB GLN 2 2HB GLN 2 -6.288 -5.967 -10.738 13 2HB GLN 2 1HB GLN 2 -6.152 -5.511 -9.036 14 1HG GLN 2 1HG GLN 2 -6.804 -3.705 -10.826 15 2HG GLN 2 2HG GLN 2 -5.667 -3.263 -9.561 16 1HE2 GLN 2 2HE2 GLN 2 -2.926 -2.944 -11.774 17 2HE2 GLN 2 1HE2 GLN 2 -3.492 -2.901 -10.092 18 H SER 3 H SER 3 -1.806 -6.473 -9.735 19 HA SER 3 HA SER 3 -1.202 -4.357 -7.679 20 1HB SER 3 1HB SER 3 0.155 -7.059 -8.031 21 2HB SER 3 2HB SER 3 0.614 -5.797 -6.892 22 HG SER 3 HG SER 3 -0.757 -7.194 -5.806 23 H HIS 4 H HIS 4 -0.529 -2.727 -8.960 24 HA HIS 4 HA HIS 4 1.878 -3.058 -10.692 25 1HB HIS 4 1HB HIS 4 -0.731 -1.832 -11.698 26 2HB HIS 4 2HB HIS 4 0.795 -1.898 -12.570 27 HD2 HIS 4 HD2 HIS 4 1.492 -4.461 -13.598 28 HE1 HIS 4 HE1 HIS 4 -2.402 -6.040 -13.029 29 HE2 HIS 4 HE2 HIS 4 -0.159 -6.432 -14.176 30 H ALA 5 H ALA 5 -0.574 -0.601 -9.772 31 HA ALA 5 HA ALA 5 1.262 1.610 -9.978 32 1HB ALA 5 2HB ALA 5 -1.133 1.818 -10.438 33 2HB ALA 5 3HB ALA 5 -1.512 1.442 -8.743 34 3HB ALA 5 1HB ALA 5 -0.632 2.931 -9.153 35 H GLY 6 H GLY 6 2.825 2.066 -8.558 36 1HA GLY 6 1HA GLY 6 3.511 0.884 -6.239 37 2HA GLY 6 2HA GLY 6 3.975 2.540 -6.607 38 H GLN 7 H GLN 7 2.455 4.296 -5.805 39 HA GLN 7 HA GLN 7 1.861 3.730 -2.988 40 1HB GLN 7 1HB GLN 7 3.211 5.703 -3.958 41 2HB GLN 7 2HB GLN 7 1.652 6.435 -4.328 42 1HG GLN 7 1HG GLN 7 2.702 5.553 -1.585 43 2HG GLN 7 2HG GLN 7 2.557 7.213 -2.167 44 1HE2 GLN 7 2HE2 GLN 7 -0.633 5.549 -0.419 45 2HE2 GLN 7 1HE2 GLN 7 0.905 4.678 -0.496 46 H CYS 8 H CYS 8 -0.130 3.097 -2.336 47 HA CYS 8 HA CYS 8 -2.425 3.254 -4.114 48 1HB CYS 8 2HB CYS 8 -3.472 1.749 -2.553 49 2HB CYS 8 1HB CYS 8 -1.827 1.225 -2.881 50 H GLY 9 H GLY 9 -1.607 5.902 -2.482 51 1HA GLY 9 2HA GLY 9 -3.572 7.530 -2.489 52 2HA GLY 9 1HA GLY 9 -4.307 6.495 -1.271 53 H GLY 10 H GLY 10 -2.610 6.002 0.612 54 1HA GLY 10 2HA GLY 10 -0.521 7.499 1.531 55 2HA GLY 10 1HA GLY 10 -1.868 8.596 1.842 56 H ILE 11 H ILE 11 -0.081 7.246 3.839 57 HA ILE 11 HA ILE 11 -1.385 5.037 4.940 58 HB ILE 11 HB ILE 11 0.802 6.765 5.779 59 1HG1 ILE 11 2HG1 ILE 11 0.201 3.865 5.579 60 2HG1 ILE 11 1HG1 ILE 11 1.672 4.751 5.263 61 1HG2 ILE 11 2HG2 ILE 11 -0.567 7.384 7.659 62 2HG2 ILE 11 3HG2 ILE 11 -0.773 5.675 8.108 63 3HG2 ILE 11 1HG2 ILE 11 0.829 6.446 8.149 64 1HD1 ILE 11 2HD1 ILE 11 2.155 4.655 7.754 65 2HD1 ILE 11 3HD1 ILE 11 0.629 3.761 7.951 66 3HD1 ILE 11 1HD1 ILE 11 1.952 3.068 7.005 67 H GLY 12 H GLY 12 -2.663 4.599 6.638 68 1HA GLY 12 2HA GLY 12 -4.995 5.115 7.536 69 2HA GLY 12 1HA GLY 12 -5.147 6.256 6.193 70 H TYR 13 H TYR 13 -4.172 5.095 4.046 71 HA TYR 13 HA TYR 13 -5.325 2.481 3.401 72 1HB TYR 13 1HB TYR 13 -3.193 4.185 2.080 73 2HB TYR 13 2HB TYR 13 -3.629 2.575 1.570 74 HD1 TYR 13 HD2 TYR 13 -5.302 5.934 2.209 75 HD2 TYR 13 HD1 TYR 13 -5.289 2.234 -0.044 76 HE1 TYR 13 HE2 TYR 13 -7.200 6.746 0.835 77 HE2 TYR 13 HE1 TYR 13 -7.205 3.067 -1.389 78 HH TYR 13 HH TYR 13 -8.648 6.271 -0.835 79 H SER 14 H SER 14 -4.887 1.523 5.235 80 HA SER 14 HA SER 14 -2.368 0.128 5.866 81 1HB SER 14 1HB SER 14 -3.469 2.125 7.905 82 2HB SER 14 2HB SER 14 -1.928 1.260 7.906 83 HG SER 14 HG SER 14 -1.764 2.547 5.731 84 H GLY 15 H GLY 15 -5.582 1.163 7.021 85 1HA GLY 15 2HA GLY 15 -6.263 -1.475 8.237 86 2HA GLY 15 1HA GLY 15 -7.267 -0.024 8.148 87 HA PRO 16 HA PRO 16 -8.889 -3.055 5.017 88 1HB PRO 16 2HB PRO 16 -11.456 -1.689 5.840 89 2HB PRO 16 1HB PRO 16 -11.159 -3.407 5.465 90 1HG PRO 16 2HG PRO 16 -11.293 -2.610 8.045 91 2HG PRO 16 1HG PRO 16 -9.959 -3.693 7.549 92 1HD PRO 16 1HD PRO 16 -9.874 -0.662 7.831 93 2HD PRO 16 2HD PRO 16 -8.770 -1.882 8.527 94 H THR 17 H THR 17 -7.555 -1.315 3.750 95 HA THR 17 HA THR 17 -9.035 -1.198 1.327 96 HB THR 17 HB THR 17 -9.883 0.915 1.971 97 HG1 THR 17 HG1 THR 17 -8.723 2.156 0.243 98 1HG2 THR 17 2HG2 THR 17 -8.110 1.681 3.581 99 2HG2 THR 17 3HG2 THR 17 -7.060 2.000 2.188 100 3HG2 THR 17 1HG2 THR 17 -8.563 2.901 2.374 101 H VAL 18 H VAL 18 -7.516 -2.760 1.021 102 HA VAL 18 HA VAL 18 -4.609 -2.083 1.066 103 HB VAL 18 HB VAL 18 -5.513 -3.627 2.792 104 1HG1 VAL 18 3HG2 VAL 18 -7.268 -4.787 1.440 105 2HG1 VAL 18 1HG2 VAL 18 -5.993 -5.595 0.510 106 3HG1 VAL 18 2HG2 VAL 18 -6.165 -5.912 2.241 107 1HG2 VAL 18 2HG1 VAL 18 -3.141 -3.731 2.107 108 2HG2 VAL 18 3HG1 VAL 18 -3.772 -5.296 2.647 109 3HG2 VAL 18 1HG1 VAL 18 -3.549 -4.995 0.920 110 H CYS 19 H CYS 19 -3.176 -2.974 -0.517 111 HA CYS 19 HA CYS 19 -4.294 -3.280 -3.156 112 1HB CYS 19 2HB CYS 19 -1.918 -2.399 -2.406 113 2HB CYS 19 1HB CYS 19 -1.455 -4.083 -2.583 114 H ALA 20 H ALA 20 -3.418 -5.263 -4.586 115 HA ALA 20 HA ALA 20 -5.528 -7.013 -3.699 116 1HB ALA 20 3HB ALA 20 -4.090 -6.712 -6.346 117 2HB ALA 20 1HB ALA 20 -5.540 -7.711 -6.077 118 3HB ALA 20 2HB ALA 20 -5.608 -5.957 -5.841 119 H SER 21 H SER 21 -5.587 -9.045 -3.171 120 HA SER 21 HA SER 21 -4.665 -11.188 -2.527 121 1HB SER 21 1HB SER 21 -5.609 -12.545 -4.277 122 2HB SER 21 2HB SER 21 -6.587 -11.087 -4.076 123 HG SER 21 HG SER 21 -4.528 -11.428 -6.003 124 H GLY 22 H GLY 22 -2.454 -11.147 -2.095 125 1HA GLY 22 1HA GLY 22 -0.579 -12.670 -2.311 126 2HA GLY 22 2HA GLY 22 -0.676 -12.565 -4.069 127 H THR 23 H THR 23 -0.813 -10.001 -1.692 128 HA THR 23 HA THR 23 1.600 -8.546 -1.913 129 HB THR 23 HB THR 23 -0.500 -8.143 -4.063 130 HG1 THR 23 HG1 THR 23 2.298 -7.985 -4.065 131 1HG2 THR 23 3HG2 THR 23 1.169 -5.888 -2.930 132 2HG2 THR 23 1HG2 THR 23 0.594 -5.912 -4.587 133 3HG2 THR 23 2HG2 THR 23 -0.572 -5.949 -3.257 134 H THR 24 H THR 24 1.349 -6.623 -0.627 135 HA THR 24 HA THR 24 -1.397 -5.636 -0.037 136 HB THR 24 HB THR 24 -1.119 -5.371 2.317 137 HG1 THR 24 HG1 THR 24 0.909 -6.597 3.133 138 1HG2 THR 24 2HG2 THR 24 -1.958 -7.586 1.623 139 2HG2 THR 24 3HG2 THR 24 -0.300 -8.224 1.667 140 3HG2 THR 24 1HG2 THR 24 -1.071 -7.651 3.158 141 H CYS 25 H CYS 25 -1.196 -3.443 1.305 142 HA CYS 25 HA CYS 25 0.764 -1.774 -0.209 143 1HB CYS 25 1HB CYS 25 -1.720 -1.240 -0.233 144 2HB CYS 25 2HB CYS 25 -1.470 -0.602 1.395 145 H GLN 26 H GLN 26 2.649 -2.106 0.840 146 HA GLN 26 HA GLN 26 2.875 -2.089 3.796 147 1HB GLN 26 1HB GLN 26 3.797 -3.996 2.903 148 2HB GLN 26 2HB GLN 26 4.459 -3.182 1.486 149 1HG GLN 26 2HG GLN 26 6.234 -3.932 2.940 150 2HG GLN 26 1HG GLN 26 6.257 -2.172 2.778 151 1HE2 GLN 26 1HE2 GLN 26 6.633 -2.171 6.311 152 2HE2 GLN 26 2HE2 GLN 26 7.369 -1.723 4.779 153 H VAL 27 H VAL 27 4.044 -0.606 4.954 154 HA VAL 27 HA VAL 27 4.642 1.969 3.892 155 HB VAL 27 HB VAL 27 3.919 1.586 6.158 156 1HG1 VAL 27 3HG2 VAL 27 5.142 -0.506 6.736 157 2HG1 VAL 27 1HG2 VAL 27 6.668 0.413 6.749 158 3HG1 VAL 27 2HG2 VAL 27 5.395 0.769 7.929 159 1HG2 VAL 27 1HG1 VAL 27 6.647 2.920 6.026 160 2HG2 VAL 27 2HG1 VAL 27 5.057 3.672 5.732 161 3HG2 VAL 27 3HG1 VAL 27 5.477 3.081 7.345 162 H LEU 28 H LEU 28 6.364 2.803 2.859 163 HA LEU 28 HA LEU 28 9.136 1.660 3.161 164 1HB LEU 28 1HB LEU 28 7.937 3.747 1.306 165 2HB LEU 28 2HB LEU 28 9.672 3.648 1.600 166 HG LEU 28 HG LEU 28 9.780 1.369 0.790 167 1HD1 LEU 28 1HD2 LEU 28 6.782 1.681 0.378 168 2HD1 LEU 28 2HD2 LEU 28 7.756 0.445 -0.451 169 3HD1 LEU 28 3HD2 LEU 28 7.624 0.424 1.305 170 1HD2 LEU 28 2HD1 LEU 28 10.073 3.285 -0.765 171 2HD2 LEU 28 3HD1 LEU 28 9.379 1.880 -1.584 172 3HD2 LEU 28 1HD1 LEU 28 8.338 3.248 -1.137 173 H ASN 29 H ASN 29 8.117 5.028 3.021 174 HA ASN 29 HA ASN 29 9.160 5.577 5.773 175 1HB ASN 29 1HB ASN 29 8.532 7.473 3.462 176 2HB ASN 29 2HB ASN 29 9.069 7.993 5.053 177 1HD2 ASN 29 1HD2 ASN 29 12.398 6.504 4.436 178 2HD2 ASN 29 2HD2 ASN 29 11.199 6.341 5.718 179 HA PRO 30 HA PRO 30 5.267 5.645 7.673 180 1HB PRO 30 2HB PRO 30 5.014 8.419 8.502 181 2HB PRO 30 1HB PRO 30 5.512 6.990 9.436 182 1HG PRO 30 1HG PRO 30 7.214 8.964 7.925 183 2HG PRO 30 2HG PRO 30 7.586 8.139 9.465 184 1HD PRO 30 2HD PRO 30 8.769 7.330 7.220 185 2HD PRO 30 1HD PRO 30 8.096 6.084 8.303 186 H TYR 31 H TYR 31 5.320 8.711 5.730 187 HA TYR 31 HA TYR 31 2.512 8.136 4.879 188 1HB TYR 31 2HB TYR 31 4.209 10.634 4.717 189 2HB TYR 31 1HB TYR 31 2.630 10.469 3.964 190 HD1 TYR 31 HD1 TYR 31 0.564 10.086 5.270 191 HD2 TYR 31 HD2 TYR 31 4.365 10.739 7.220 192 HE1 TYR 31 HE1 TYR 31 -0.587 10.282 7.470 193 HE2 TYR 31 HE2 TYR 31 3.200 10.921 9.411 194 HH TYR 31 HH TYR 31 1.219 10.846 10.488 195 H TYR 32 H TYR 32 4.636 6.458 3.841 196 HA TYR 32 HA TYR 32 3.673 6.559 1.034 197 1HB TYR 32 1HB TYR 32 6.052 7.494 1.280 198 2HB TYR 32 2HB TYR 32 6.557 5.853 1.624 199 HD1 TYR 32 HD1 TYR 32 4.835 4.283 -0.408 200 HD2 TYR 32 HD2 TYR 32 7.029 8.008 -0.800 201 HE1 TYR 32 HE1 TYR 32 4.900 4.005 -2.837 202 HE2 TYR 32 HE2 TYR 32 7.231 7.589 -3.237 203 HH TYR 32 HH TYR 32 6.905 6.071 -4.906 204 H SER 33 H SER 33 2.165 5.050 1.713 205 HA SER 33 HA SER 33 2.993 2.264 2.367 206 1HB SER 33 1HB SER 33 0.989 3.320 3.412 207 2HB SER 33 2HB SER 33 0.214 3.392 1.824 208 HG SER 33 HG SER 33 -0.361 1.493 2.983 209 H GLN 34 H GLN 34 3.541 0.865 0.730 210 HA GLN 34 HA GLN 34 2.843 1.550 -2.087 211 1HB GLN 34 1HB GLN 34 5.171 2.054 -1.290 212 2HB GLN 34 2HB GLN 34 5.408 0.316 -1.071 213 1HG GLN 34 1HG GLN 34 5.077 -0.027 -3.513 214 2HG GLN 34 2HG GLN 34 4.717 1.686 -3.725 215 1HE2 GLN 34 2HE2 GLN 34 8.170 2.553 -3.790 216 2HE2 GLN 34 1HE2 GLN 34 6.531 3.203 -3.909 217 H CYS 35 H CYS 35 2.128 -0.013 -3.435 218 HA CYS 35 HA CYS 35 1.052 -2.487 -2.521 219 1HB CYS 35 1HB CYS 35 0.139 -1.057 -4.322 220 2HB CYS 35 2HB CYS 35 1.529 -1.461 -5.330 221 H LEU 36 H LEU 36 2.656 -3.855 -1.656 222 HA LEU 36 HA LEU 36 4.669 -5.133 -3.461 223 1HB LEU 36 1HB LEU 36 4.806 -4.157 -0.612 224 2HB LEU 36 2HB LEU 36 5.656 -5.638 -1.013 225 HG LEU 36 HG LEU 36 7.029 -4.594 -2.659 226 1HD1 LEU 36 1HD2 LEU 36 5.432 -2.050 -2.156 227 2HD1 LEU 36 2HD2 LEU 36 7.006 -2.095 -2.977 228 3HD1 LEU 36 3HD2 LEU 36 5.633 -2.922 -3.698 229 1HD2 LEU 36 2HD1 LEU 36 7.703 -4.433 -0.256 230 2HD2 LEU 36 3HD1 LEU 36 8.318 -3.074 -1.219 231 3HD2 LEU 36 1HD1 LEU 36 6.913 -2.842 -0.158 No H/Q in entry = 231 Start of MODEL 21 1 1H THR 1 3H THR 1 -1.390 -12.091 -10.744 2 2H THR 1 1H THR 1 -1.980 -12.038 -9.231 3 3H THR 1 2H THR 1 -2.724 -12.988 -10.362 4 HA THR 1 HA THR 1 -3.383 -11.073 -11.636 5 HB THR 1 HB THR 1 -4.911 -11.821 -9.809 6 HG1 THR 1 HG1 THR 1 -6.036 -9.763 -9.760 7 1HG2 THR 1 2HG2 THR 1 -3.462 -11.160 -7.831 8 2HG2 THR 1 3HG2 THR 1 -3.788 -9.459 -8.203 9 3HG2 THR 1 1HG2 THR 1 -5.110 -10.539 -7.745 10 H GLN 2 H GLN 2 -4.007 -8.520 -10.917 11 HA GLN 2 HA GLN 2 -1.425 -7.112 -11.127 12 1HB GLN 2 2HB GLN 2 -3.560 -6.640 -12.474 13 2HB GLN 2 1HB GLN 2 -4.217 -5.908 -11.007 14 1HG GLN 2 1HG GLN 2 -1.763 -5.053 -12.631 15 2HG GLN 2 2HG GLN 2 -3.290 -4.197 -12.470 16 1HE2 GLN 2 2HE2 GLN 2 -0.382 -3.630 -9.742 17 2HE2 GLN 2 1HE2 GLN 2 -0.173 -4.837 -10.980 18 H SER 3 H SER 3 -0.465 -7.475 -9.070 19 HA SER 3 HA SER 3 -1.766 -6.094 -6.749 20 1HB SER 3 1HB SER 3 -0.622 -8.582 -6.687 21 2HB SER 3 2HB SER 3 0.737 -7.592 -6.146 22 HG SER 3 HG SER 3 -1.930 -7.620 -5.114 23 H HIS 4 H HIS 4 1.505 -6.327 -8.229 24 HA HIS 4 HA HIS 4 2.813 -4.187 -7.190 25 1HB HIS 4 1HB HIS 4 2.923 -5.065 -10.099 26 2HB HIS 4 2HB HIS 4 4.198 -4.245 -9.188 27 HD2 HIS 4 HD2 HIS 4 5.285 -5.814 -7.048 28 HE1 HIS 4 HE1 HIS 4 3.253 -9.375 -8.058 29 HE2 HIS 4 HE2 HIS 4 4.830 -8.251 -6.356 30 H ALA 5 H ALA 5 1.637 -2.349 -6.744 31 HA ALA 5 HA ALA 5 0.867 -0.559 -9.030 32 1HB ALA 5 2HB ALA 5 -1.016 -2.110 -8.461 33 2HB ALA 5 3HB ALA 5 -1.035 -1.465 -6.817 34 3HB ALA 5 1HB ALA 5 -1.435 -0.429 -8.208 35 H GLY 6 H GLY 6 -0.743 1.083 -7.219 36 1HA GLY 6 1HA GLY 6 1.348 2.847 -6.085 37 2HA GLY 6 2HA GLY 6 -0.372 3.172 -6.269 38 H GLN 7 H GLN 7 -0.928 3.733 -4.197 39 HA GLN 7 HA GLN 7 0.199 2.709 -1.833 40 1HB GLN 7 1HB GLN 7 -0.881 4.891 -2.128 41 2HB GLN 7 2HB GLN 7 -2.471 4.121 -2.203 42 1HG GLN 7 2HG GLN 7 -2.324 3.416 0.113 43 2HG GLN 7 1HG GLN 7 -0.586 3.758 0.161 44 1HE2 GLN 7 2HE2 GLN 7 -1.617 6.651 1.884 45 2HE2 GLN 7 1HE2 GLN 7 -1.077 4.988 2.142 46 H CYS 8 H CYS 8 -0.253 1.130 -0.444 47 HA CYS 8 HA CYS 8 -2.354 -0.927 -0.898 48 1HB CYS 8 1HB CYS 8 -0.104 -1.675 -0.269 49 2HB CYS 8 2HB CYS 8 -0.100 -0.585 1.112 50 H GLY 9 H GLY 9 -1.380 1.395 1.552 51 1HA GLY 9 1HA GLY 9 -3.702 2.395 2.704 52 2HA GLY 9 2HA GLY 9 -3.525 0.797 3.444 53 H GLY 10 H GLY 10 -2.487 4.044 3.632 54 1HA GLY 10 1HA GLY 10 0.157 3.424 4.951 55 2HA GLY 10 2HA GLY 10 -0.322 4.965 4.248 56 H ILE 11 H ILE 11 0.805 5.010 6.705 57 HA ILE 11 HA ILE 11 -0.960 5.233 8.927 58 HB ILE 11 HB ILE 11 1.427 6.956 8.173 59 1HG1 ILE 11 2HG1 ILE 11 1.235 4.452 9.918 60 2HG1 ILE 11 1HG1 ILE 11 2.011 4.566 8.338 61 1HG2 ILE 11 2HG2 ILE 11 -0.037 8.037 9.899 62 2HG2 ILE 11 3HG2 ILE 11 0.144 6.589 10.912 63 3HG2 ILE 11 1HG2 ILE 11 1.544 7.608 10.515 64 1HD1 ILE 11 2HD1 ILE 11 3.581 6.318 9.329 65 2HD1 ILE 11 3HD1 ILE 11 2.955 5.834 10.922 66 3HD1 ILE 11 1HD1 ILE 11 3.775 4.648 9.896 67 H GLY 12 H GLY 12 -2.749 6.500 9.225 68 1HA GLY 12 1HA GLY 12 -4.140 8.385 9.144 69 2HA GLY 12 2HA GLY 12 -3.046 9.205 8.035 70 H TYR 13 H TYR 13 -2.906 7.569 5.853 71 HA TYR 13 HA TYR 13 -5.591 7.616 4.666 72 1HB TYR 13 1HB TYR 13 -3.333 8.109 3.528 73 2HB TYR 13 2HB TYR 13 -3.191 6.369 3.364 74 HD1 TYR 13 HD2 TYR 13 -6.229 5.756 2.696 75 HD2 TYR 13 HD1 TYR 13 -3.445 8.761 1.262 76 HE1 TYR 13 HE2 TYR 13 -7.493 5.939 0.607 77 HE2 TYR 13 HE1 TYR 13 -4.753 8.913 -0.849 78 HH TYR 13 HH TYR 13 -7.517 6.776 -1.488 79 H SER 14 H SER 14 -6.230 6.193 6.583 80 HA SER 14 HA SER 14 -5.900 3.316 6.387 81 1HB SER 14 1HB SER 14 -7.850 4.984 8.020 82 2HB SER 14 2HB SER 14 -7.446 3.279 8.286 83 HG SER 14 HG SER 14 -6.210 4.645 9.663 84 H GLY 15 H GLY 15 -7.772 5.245 4.427 85 1HA GLY 15 2HA GLY 15 -10.283 3.782 4.468 86 2HA GLY 15 1HA GLY 15 -9.831 5.057 3.340 87 HA PRO 16 HA PRO 16 -9.679 0.702 1.301 88 1HB PRO 16 2HB PRO 16 -12.075 1.871 -0.143 89 2HB PRO 16 1HB PRO 16 -11.715 0.164 0.229 90 1HG PRO 16 2HG PRO 16 -13.443 1.524 1.785 91 2HG PRO 16 1HG PRO 16 -12.163 0.562 2.579 92 1HD PRO 16 1HD PRO 16 -12.136 3.553 1.994 93 2HD PRO 16 2HD PRO 16 -11.831 2.687 3.527 94 H THR 17 H THR 17 -7.664 2.125 0.628 95 HA THR 17 HA THR 17 -7.741 2.342 -2.408 96 HB THR 17 HB THR 17 -6.805 4.306 -1.394 97 HG1 THR 17 HG1 THR 17 -4.836 2.619 -2.596 98 1HG2 THR 17 2HG2 THR 17 -6.009 3.446 0.755 99 2HG2 THR 17 3HG2 THR 17 -4.699 2.559 -0.054 100 3HG2 THR 17 1HG2 THR 17 -4.743 4.336 -0.103 101 H VAL 18 H VAL 18 -8.141 -0.146 -1.581 102 HA VAL 18 HA VAL 18 -5.558 -1.468 -1.109 103 HB VAL 18 HB VAL 18 -7.345 -1.735 0.465 104 1HG1 VAL 18 2HG1 VAL 18 -9.291 -1.683 -1.116 105 2HG1 VAL 18 3HG1 VAL 18 -8.823 -3.292 -1.690 106 3HG1 VAL 18 1HG1 VAL 18 -9.343 -3.052 -0.007 107 1HG2 VAL 18 3HG2 VAL 18 -5.594 -3.435 0.275 108 2HG2 VAL 18 1HG2 VAL 18 -7.137 -4.139 0.776 109 3HG2 VAL 18 2HG2 VAL 18 -6.579 -4.338 -0.895 110 H CYS 19 H CYS 19 -4.515 -2.785 -2.420 111 HA CYS 19 HA CYS 19 -5.303 -3.250 -5.191 112 1HB CYS 19 1HB CYS 19 -3.047 -4.185 -5.394 113 2HB CYS 19 2HB CYS 19 -3.000 -2.662 -4.512 114 H ALA 20 H ALA 20 -4.660 -5.540 -6.137 115 HA ALA 20 HA ALA 20 -6.586 -7.447 -4.962 116 1HB ALA 20 2HB ALA 20 -6.878 -6.780 -7.271 117 2HB ALA 20 3HB ALA 20 -5.258 -7.369 -7.680 118 3HB ALA 20 1HB ALA 20 -6.518 -8.512 -7.167 119 H SER 21 H SER 21 -6.172 -9.349 -4.178 120 HA SER 21 HA SER 21 -4.299 -10.322 -2.729 121 1HB SER 21 1HB SER 21 -5.157 -12.547 -3.027 122 2HB SER 21 2HB SER 21 -6.475 -11.394 -3.227 123 HG SER 21 HG SER 21 -4.985 -12.416 -5.421 124 H GLY 22 H GLY 22 -2.104 -10.103 -3.018 125 1HA GLY 22 2HA GLY 22 -0.597 -12.301 -3.324 126 2HA GLY 22 1HA GLY 22 -0.643 -11.776 -5.010 127 H THR 23 H THR 23 0.058 -10.669 -1.738 128 HA THR 23 HA THR 23 1.067 -8.073 -2.787 129 HB THR 23 HB THR 23 -0.877 -8.721 -0.524 130 HG1 THR 23 HG1 THR 23 -1.213 -7.830 -3.182 131 1HG2 THR 23 3HG2 THR 23 0.151 -6.099 -1.641 132 2HG2 THR 23 1HG2 THR 23 -1.416 -6.223 -0.807 133 3HG2 THR 23 2HG2 THR 23 0.085 -6.615 0.042 134 H THR 24 H THR 24 2.793 -7.098 -1.787 135 HA THR 24 HA THR 24 3.249 -7.641 1.140 136 HB THR 24 HB THR 24 4.956 -8.762 -0.053 137 HG1 THR 24 HG1 THR 24 6.709 -7.672 1.020 138 1HG2 THR 24 2HG2 THR 24 5.160 -7.322 -2.045 139 2HG2 THR 24 3HG2 THR 24 5.957 -6.073 -1.067 140 3HG2 THR 24 1HG2 THR 24 6.718 -7.656 -1.295 141 H CYS 25 H CYS 25 2.314 -6.042 2.075 142 HA CYS 25 HA CYS 25 1.995 -3.363 1.049 143 1HB CYS 25 1HB CYS 25 0.366 -4.801 2.385 144 2HB CYS 25 2HB CYS 25 1.355 -4.482 3.803 145 H GLN 26 H GLN 26 3.674 -1.934 1.097 146 HA GLN 26 HA GLN 26 5.918 -2.437 2.971 147 1HB GLN 26 1HB GLN 26 5.659 -2.442 0.194 148 2HB GLN 26 2HB GLN 26 6.388 -0.890 0.447 149 1HG GLN 26 2HG GLN 26 8.052 -2.687 0.057 150 2HG GLN 26 1HG GLN 26 8.276 -2.013 1.678 151 1HE2 GLN 26 2HE2 GLN 26 6.413 -5.680 1.639 152 2HE2 GLN 26 1HE2 GLN 26 5.781 -4.423 0.597 153 H VAL 27 H VAL 27 7.461 -0.115 2.145 154 HA VAL 27 HA VAL 27 6.111 2.254 3.164 155 HB VAL 27 HB VAL 27 6.499 1.241 5.273 156 1HG1 VAL 27 3HG2 VAL 27 8.344 -0.329 4.780 157 2HG1 VAL 27 1HG2 VAL 27 9.478 1.035 4.661 158 3HG1 VAL 27 2HG2 VAL 27 8.682 0.669 6.197 159 1HG2 VAL 27 2HG1 VAL 27 6.789 3.678 5.060 160 2HG2 VAL 27 3HG1 VAL 27 7.731 2.985 6.388 161 3HG2 VAL 27 1HG1 VAL 27 8.544 3.459 4.887 162 H LEU 28 H LEU 28 6.687 3.667 1.660 163 HA LEU 28 HA LEU 28 9.503 3.865 0.659 164 1HB LEU 28 1HB LEU 28 6.825 4.992 -0.225 165 2HB LEU 28 2HB LEU 28 8.343 5.723 -0.749 166 HG LEU 28 HG LEU 28 9.118 3.672 -1.753 167 1HD1 LEU 28 1HD2 LEU 28 6.496 2.416 -0.823 168 2HD1 LEU 28 2HD2 LEU 28 7.598 1.702 -2.017 169 3HD1 LEU 28 3HD2 LEU 28 8.143 1.922 -0.365 170 1HD2 LEU 28 2HD1 LEU 28 7.676 5.265 -3.040 171 2HD2 LEU 28 3HD1 LEU 28 7.563 3.603 -3.622 172 3HD2 LEU 28 1HD1 LEU 28 6.256 4.280 -2.627 173 H ASN 29 H ASN 29 7.043 6.064 1.891 174 HA ASN 29 HA ASN 29 8.953 7.097 3.921 175 1HB ASN 29 1HB ASN 29 6.890 8.733 2.361 176 2HB ASN 29 2HB ASN 29 7.601 9.270 3.876 177 1HD2 ASN 29 1HD2 ASN 29 10.030 9.223 0.590 178 2HD2 ASN 29 2HD2 ASN 29 8.610 8.173 0.568 179 HA PRO 30 HA PRO 30 6.240 5.326 6.843 180 1HB PRO 30 2HB PRO 30 5.756 7.461 8.677 181 2HB PRO 30 1HB PRO 30 7.079 6.273 8.695 182 1HG PRO 30 1HG PRO 30 7.074 9.057 7.530 183 2HG PRO 30 2HG PRO 30 8.367 8.248 8.454 184 1HD PRO 30 2HD PRO 30 8.541 8.444 5.796 185 2HD PRO 30 1HD PRO 30 8.977 6.898 6.570 186 H TYR 31 H TYR 31 5.012 8.446 5.669 187 HA TYR 31 HA TYR 31 2.214 7.822 6.263 188 1HB TYR 31 1HB TYR 31 3.589 10.155 4.892 189 2HB TYR 31 2HB TYR 31 1.864 10.077 5.205 190 HD1 TYR 31 HD2 TYR 31 0.954 9.915 7.518 191 HD2 TYR 31 HD1 TYR 31 5.152 10.611 6.770 192 HE1 TYR 31 HE2 TYR 31 1.292 10.527 9.914 193 HE2 TYR 31 HE1 TYR 31 5.484 11.164 9.174 194 HH TYR 31 HH TYR 31 4.514 11.322 11.205 195 H TYR 32 H TYR 32 3.847 6.356 3.940 196 HA TYR 32 HA TYR 32 1.489 5.953 2.227 197 1HB TYR 32 2HB TYR 32 2.121 7.961 1.228 198 2HB TYR 32 1HB TYR 32 3.832 7.579 1.297 199 HD1 TYR 32 HD2 TYR 32 1.589 4.910 -0.090 200 HD2 TYR 32 HD1 TYR 32 3.757 8.534 -1.044 201 HE1 TYR 32 HE2 TYR 32 1.879 4.154 -2.427 202 HE2 TYR 32 HE1 TYR 32 4.184 7.657 -3.336 203 HH TYR 32 HH TYR 32 4.122 5.737 -4.626 204 H SER 33 H SER 33 1.798 3.897 3.197 205 HA SER 33 HA SER 33 3.838 2.037 2.308 206 1HB SER 33 1HB SER 33 2.634 1.430 4.261 207 2HB SER 33 2HB SER 33 1.066 1.685 3.496 208 HG SER 33 HG SER 33 1.179 -0.255 2.634 209 H GLN 34 H GLN 34 4.082 1.099 0.366 210 HA GLN 34 HA GLN 34 2.038 1.334 -1.771 211 1HB GLN 34 1HB GLN 34 4.350 2.180 -2.094 212 2HB GLN 34 2HB GLN 34 4.972 0.537 -1.892 213 1HG GLN 34 1HG GLN 34 3.753 -0.174 -3.961 214 2HG GLN 34 2HG GLN 34 3.023 1.438 -4.072 215 1HE2 GLN 34 2HE2 GLN 34 5.606 1.826 -6.468 216 2HE2 GLN 34 1HE2 GLN 34 3.940 1.234 -6.318 217 H CYS 35 H CYS 35 1.430 -0.434 -3.112 218 HA CYS 35 HA CYS 35 1.608 -3.166 -1.924 219 1HB CYS 35 1HB CYS 35 -0.592 -2.336 -2.479 220 2HB CYS 35 2HB CYS 35 -0.127 -2.066 -4.162 221 H LEU 36 H LEU 36 3.482 -4.158 -2.449 222 HA LEU 36 HA LEU 36 4.067 -4.669 -5.340 223 1HB LEU 36 1HB LEU 36 6.031 -5.047 -3.066 224 2HB LEU 36 2HB LEU 36 6.316 -5.199 -4.789 225 HG LEU 36 HG LEU 36 7.403 -3.278 -4.056 226 1HD1 LEU 36 2HD1 LEU 36 6.327 -3.019 -6.238 227 2HD1 LEU 36 3HD1 LEU 36 4.888 -2.312 -5.478 228 3HD1 LEU 36 1HD1 LEU 36 6.440 -1.466 -5.389 229 1HD2 LEU 36 3HD2 LEU 36 6.076 -2.958 -1.953 230 2HD2 LEU 36 1HD2 LEU 36 6.594 -1.478 -2.780 231 3HD2 LEU 36 2HD2 LEU 36 4.914 -1.998 -2.888 No H/Q in entry = 231 Start of MODEL 22 1 1H THR 1 1H THR 1 0.231 -11.064 -7.817 2 2H THR 1 2H THR 1 -0.030 -9.656 -7.040 3 3H THR 1 3H THR 1 -1.173 -10.841 -6.978 4 HA THR 1 HA THR 1 -1.547 -10.638 -9.387 5 HB THR 1 HB THR 1 -3.016 -9.335 -7.995 6 HG1 THR 1 HG1 THR 1 -3.212 -7.414 -9.462 7 1HG2 THR 1 2HG2 THR 1 -0.961 -7.086 -8.102 8 2HG2 THR 1 3HG2 THR 1 -2.612 -7.005 -7.448 9 3HG2 THR 1 1HG2 THR 1 -1.414 -8.029 -6.679 10 H GLN 2 H GLN 2 -1.259 -8.023 -10.736 11 HA GLN 2 HA GLN 2 1.661 -7.596 -10.988 12 1HB GLN 2 2HB GLN 2 1.242 -9.125 -12.795 13 2HB GLN 2 1HB GLN 2 -0.155 -8.203 -13.351 14 1HG GLN 2 1HG GLN 2 2.004 -7.968 -14.707 15 2HG GLN 2 2HG GLN 2 1.189 -6.477 -14.277 16 1HE2 GLN 2 2HE2 GLN 2 4.633 -7.190 -12.182 17 2HE2 GLN 2 1HE2 GLN 2 3.528 -8.551 -12.388 18 H SER 3 H SER 3 0.631 -6.060 -9.424 19 HA SER 3 HA SER 3 -0.717 -3.713 -10.636 20 1HB SER 3 1HB SER 3 -0.244 -4.534 -7.756 21 2HB SER 3 2HB SER 3 -1.041 -3.034 -8.281 22 HG SER 3 HG SER 3 -2.625 -4.590 -7.921 23 H HIS 4 H HIS 4 0.406 -1.983 -11.199 24 HA HIS 4 HA HIS 4 3.221 -1.774 -10.914 25 1HB HIS 4 1HB HIS 4 1.216 0.303 -11.868 26 2HB HIS 4 2HB HIS 4 2.942 0.273 -12.245 27 HD2 HIS 4 HD2 HIS 4 3.744 -1.931 -13.923 28 HE1 HIS 4 HE1 HIS 4 -0.195 -3.249 -14.744 29 HE2 HIS 4 HE2 HIS 4 2.265 -3.610 -15.296 30 H ALA 5 H ALA 5 4.412 0.171 -10.241 31 HA ALA 5 HA ALA 5 4.286 0.453 -7.432 32 1HB ALA 5 2HB ALA 5 6.346 0.417 -8.775 33 2HB ALA 5 3HB ALA 5 5.941 2.009 -9.458 34 3HB ALA 5 1HB ALA 5 6.285 1.842 -7.726 35 H GLY 6 H GLY 6 1.957 1.290 -7.472 36 1HA GLY 6 1HA GLY 6 1.782 4.285 -7.417 37 2HA GLY 6 2HA GLY 6 0.471 3.171 -7.782 38 H GLN 7 H GLN 7 0.883 5.324 -5.728 39 HA GLN 7 HA GLN 7 0.741 4.238 -3.105 40 1HB GLN 7 1HB GLN 7 0.781 6.811 -4.292 41 2HB GLN 7 2HB GLN 7 -0.743 6.771 -3.441 42 1HG GLN 7 1HG GLN 7 1.971 6.133 -2.189 43 2HG GLN 7 2HG GLN 7 1.178 7.711 -2.175 44 1HE2 GLN 7 2HE2 GLN 7 -0.025 6.735 0.971 45 2HE2 GLN 7 1HE2 GLN 7 1.239 7.687 0.180 46 H CYS 8 H CYS 8 -0.904 3.004 -2.204 47 HA CYS 8 HA CYS 8 -3.521 2.684 -3.483 48 1HB CYS 8 1HB CYS 8 -4.062 1.273 -1.512 49 2HB CYS 8 2HB CYS 8 -2.613 0.818 -2.409 50 H GLY 9 H GLY 9 -2.355 4.954 -1.195 51 1HA GLY 9 2HA GLY 9 -4.240 6.813 -1.803 52 2HA GLY 9 1HA GLY 9 -4.964 6.064 -0.379 53 H GLY 10 H GLY 10 -3.956 6.362 1.634 54 1HA GLY 10 2HA GLY 10 -1.539 8.086 1.955 55 2HA GLY 10 1HA GLY 10 -3.069 8.645 2.636 56 H ILE 11 H ILE 11 -0.304 7.225 3.634 57 HA ILE 11 HA ILE 11 -0.999 4.785 4.684 58 HB ILE 11 HB ILE 11 1.277 6.094 4.501 59 1HG1 ILE 11 2HG1 ILE 11 0.674 3.536 5.120 60 2HG1 ILE 11 1HG1 ILE 11 2.278 4.193 4.924 61 1HG2 ILE 11 2HG2 ILE 11 0.849 7.631 6.374 62 2HG2 ILE 11 3HG2 ILE 11 0.885 6.280 7.509 63 3HG2 ILE 11 1HG2 ILE 11 2.332 6.699 6.581 64 1HD1 ILE 11 3HD1 ILE 11 0.864 3.835 7.590 65 2HD1 ILE 11 1HD1 ILE 11 2.097 2.766 6.889 66 3HD1 ILE 11 2HD1 ILE 11 2.536 4.412 7.359 67 H GLY 12 H GLY 12 -1.685 3.909 6.679 68 1HA GLY 12 2HA GLY 12 -3.658 4.371 8.341 69 2HA GLY 12 1HA GLY 12 -4.099 5.634 7.185 70 H TYR 13 H TYR 13 -3.889 4.755 4.793 71 HA TYR 13 HA TYR 13 -5.013 2.171 4.119 72 1HB TYR 13 1HB TYR 13 -3.285 4.198 2.688 73 2HB TYR 13 2HB TYR 13 -3.424 2.579 2.064 74 HD1 TYR 13 HD2 TYR 13 -5.630 5.464 3.142 75 HD2 TYR 13 HD1 TYR 13 -5.207 1.928 0.680 76 HE1 TYR 13 HE2 TYR 13 -7.828 5.932 2.050 77 HE2 TYR 13 HE1 TYR 13 -7.401 2.403 -0.367 78 HH TYR 13 HH TYR 13 -9.144 3.805 -0.473 79 H SER 14 H SER 14 -4.237 0.968 5.725 80 HA SER 14 HA SER 14 -1.580 -0.352 5.646 81 1HB SER 14 1HB SER 14 -2.459 1.456 7.966 82 2HB SER 14 2HB SER 14 -0.980 0.482 7.895 83 HG SER 14 HG SER 14 -0.893 1.875 5.724 84 H GLY 15 H GLY 15 -4.508 0.216 7.620 85 1HA GLY 15 1HA GLY 15 -4.738 -2.611 8.503 86 2HA GLY 15 2HA GLY 15 -5.868 -1.284 8.790 87 HA PRO 16 HA PRO 16 -7.715 -4.203 5.650 88 1HB PRO 16 2HB PRO 16 -10.150 -3.287 7.201 89 2HB PRO 16 1HB PRO 16 -9.816 -4.883 6.473 90 1HG PRO 16 2HG PRO 16 -9.384 -4.545 9.112 91 2HG PRO 16 1HG PRO 16 -8.101 -5.321 8.137 92 1HD PRO 16 1HD PRO 16 -8.274 -2.398 8.971 93 2HD PRO 16 2HD PRO 16 -6.908 -3.536 9.147 94 H THR 17 H THR 17 -6.912 -2.295 4.273 95 HA THR 17 HA THR 17 -9.146 -1.795 2.460 96 HB THR 17 HB THR 17 -9.402 0.212 3.693 97 HG1 THR 17 HG1 THR 17 -8.904 1.685 1.927 98 1HG2 THR 17 2HG2 THR 17 -7.136 0.531 4.657 99 2HG2 THR 17 3HG2 THR 17 -6.518 0.934 3.043 100 3HG2 THR 17 1HG2 THR 17 -7.713 1.982 3.815 101 H VAL 18 H VAL 18 -7.934 -3.482 1.520 102 HA VAL 18 HA VAL 18 -5.205 -2.957 0.565 103 HB VAL 18 HB VAL 18 -5.706 -4.967 1.808 104 1HG1 VAL 18 2HG1 VAL 18 -8.014 -5.448 0.992 105 2HG1 VAL 18 3HG1 VAL 18 -7.338 -5.929 -0.577 106 3HG1 VAL 18 1HG1 VAL 18 -6.936 -6.842 0.886 107 1HG2 VAL 18 3HG2 VAL 18 -3.796 -4.918 0.236 108 2HG2 VAL 18 1HG2 VAL 18 -4.478 -6.539 0.438 109 3HG2 VAL 18 2HG2 VAL 18 -4.830 -5.614 -1.032 110 H CYS 19 H CYS 19 -4.579 -2.560 -1.419 111 HA CYS 19 HA CYS 19 -6.528 -2.058 -3.571 112 1HB CYS 19 1HB CYS 19 -5.056 -0.344 -2.855 113 2HB CYS 19 2HB CYS 19 -3.611 -1.331 -3.097 114 H ALA 20 H ALA 20 -4.080 -4.496 -3.018 115 HA ALA 20 HA ALA 20 -4.367 -5.538 -5.821 116 1HB ALA 20 3HB ALA 20 -1.843 -4.704 -4.373 117 2HB ALA 20 1HB ALA 20 -1.852 -5.702 -5.842 118 3HB ALA 20 2HB ALA 20 -2.484 -4.068 -5.898 119 H SER 21 H SER 21 -1.990 -6.609 -3.368 120 HA SER 21 HA SER 21 -3.527 -9.145 -3.019 121 1HB SER 21 1HB SER 21 -2.359 -9.240 -5.114 122 2HB SER 21 2HB SER 21 -0.800 -8.887 -4.354 123 HG SER 21 HG SER 21 -2.342 -11.077 -3.444 124 H GLY 22 H GLY 22 -0.103 -8.268 -2.274 125 1HA GLY 22 2HA GLY 22 0.170 -10.521 -0.710 126 2HA GLY 22 1HA GLY 22 1.245 -9.144 -0.606 127 H THR 23 H THR 23 -1.817 -10.327 0.732 128 HA THR 23 HA THR 23 -2.892 -10.261 2.658 129 HB THR 23 HB THR 23 -1.031 -11.294 3.772 130 HG1 THR 23 HG1 THR 23 -2.279 -9.320 5.368 131 1HG2 THR 23 2HG2 THR 23 -0.113 -8.490 4.583 132 2HG2 THR 23 3HG2 THR 23 0.363 -9.992 5.383 133 3HG2 THR 23 1HG2 THR 23 0.825 -9.730 3.715 134 H THR 24 H THR 24 -0.682 -7.479 2.658 135 HA THR 24 HA THR 24 -2.968 -5.577 2.877 136 HB THR 24 HB THR 24 -1.645 -4.210 4.511 137 HG1 THR 24 HG1 THR 24 0.418 -5.030 4.131 138 1HG2 THR 24 2HG2 THR 24 -3.427 -5.861 5.229 139 2HG2 THR 24 3HG2 THR 24 -2.125 -7.012 5.591 140 3HG2 THR 24 1HG2 THR 24 -2.216 -5.467 6.459 141 H CYS 25 H CYS 25 -2.366 -3.364 2.186 142 HA CYS 25 HA CYS 25 -0.602 -3.144 -0.065 143 1HB CYS 25 1HB CYS 25 -2.549 -1.638 0.539 144 2HB CYS 25 2HB CYS 25 -1.530 -0.928 1.799 145 H GLN 26 H GLN 26 1.563 -2.378 -0.241 146 HA GLN 26 HA GLN 26 3.369 -3.100 1.920 147 1HB GLN 26 1HB GLN 26 3.792 -3.534 -0.481 148 2HB GLN 26 2HB GLN 26 3.742 -1.815 -0.823 149 1HG GLN 26 2HG GLN 26 6.004 -2.676 -0.922 150 2HG GLN 26 1HG GLN 26 5.861 -1.434 0.305 151 1HE2 GLN 26 2HE2 GLN 26 6.133 -5.010 2.153 152 2HE2 GLN 26 1HE2 GLN 26 4.654 -4.643 1.252 153 H VAL 27 H VAL 27 5.322 -1.536 2.517 154 HA VAL 27 HA VAL 27 4.506 1.315 2.599 155 HB VAL 27 HB VAL 27 3.866 0.213 4.727 156 1HG1 VAL 27 3HG2 VAL 27 5.868 -1.321 4.980 157 2HG1 VAL 27 1HG2 VAL 27 6.852 0.113 5.355 158 3HG1 VAL 27 2HG2 VAL 27 5.510 -0.340 6.415 159 1HG2 VAL 27 2HG1 VAL 27 4.198 2.632 4.567 160 2HG2 VAL 27 3HG1 VAL 27 4.723 2.027 6.145 161 3HG2 VAL 27 1HG1 VAL 27 5.924 2.425 4.907 162 H LEU 28 H LEU 28 5.981 2.566 1.696 163 HA LEU 28 HA LEU 28 8.812 1.662 1.335 164 1HB LEU 28 1HB LEU 28 6.976 3.586 -0.089 165 2HB LEU 28 2HB LEU 28 8.714 3.849 -0.175 166 HG LEU 28 HG LEU 28 9.124 1.734 -1.193 167 1HD1 LEU 28 1HD2 LEU 28 6.146 1.169 -0.833 168 2HD1 LEU 28 2HD2 LEU 28 7.225 0.233 -1.890 169 3HD1 LEU 28 3HD2 LEU 28 7.512 0.257 -0.148 170 1HD2 LEU 28 2HD1 LEU 28 8.383 3.668 -2.611 171 2HD2 LEU 28 3HD1 LEU 28 7.965 2.099 -3.324 172 3HD2 LEU 28 1HD1 LEU 28 6.715 3.067 -2.515 173 H ASN 29 H ASN 29 7.283 4.788 2.015 174 HA ASN 29 HA ASN 29 9.600 5.652 3.732 175 1HB ASN 29 1HB ASN 29 7.212 7.335 2.897 176 2HB ASN 29 2HB ASN 29 8.822 7.875 3.426 177 1HD2 ASN 29 1HD2 ASN 29 8.481 8.164 -0.304 178 2HD2 ASN 29 2HD2 ASN 29 7.316 8.629 0.945 179 HA PRO 30 HA PRO 30 5.972 5.486 6.812 180 1HB PRO 30 2HB PRO 30 5.536 8.340 7.355 181 2HB PRO 30 1HB PRO 30 6.075 7.058 8.449 182 1HG PRO 30 1HG PRO 30 7.763 9.090 7.605 183 2HG PRO 30 2HG PRO 30 8.325 7.451 8.023 184 1HD PRO 30 1HD PRO 30 7.726 8.560 5.275 185 2HD PRO 30 2HD PRO 30 9.158 7.625 5.819 186 H TYR 31 H TYR 31 5.361 8.669 5.229 187 HA TYR 31 HA TYR 31 2.718 7.847 4.364 188 1HB TYR 31 1HB TYR 31 4.283 10.411 4.006 189 2HB TYR 31 2HB TYR 31 2.642 10.182 3.432 190 HD1 TYR 31 HD2 TYR 31 0.724 9.932 4.916 191 HD2 TYR 31 HD1 TYR 31 4.703 10.541 6.495 192 HE1 TYR 31 HE2 TYR 31 -0.219 10.219 7.195 193 HE2 TYR 31 HE1 TYR 31 3.732 10.847 8.776 194 HH TYR 31 HH TYR 31 0.254 10.421 9.384 195 H TYR 32 H TYR 32 4.232 6.047 3.111 196 HA TYR 32 HA TYR 32 3.152 6.430 0.419 197 1HB TYR 32 1HB TYR 32 5.524 7.213 0.235 198 2HB TYR 32 2HB TYR 32 6.048 5.576 0.550 199 HD1 TYR 32 HD1 TYR 32 4.158 3.888 -1.166 200 HD2 TYR 32 HD2 TYR 32 6.095 7.685 -1.994 201 HE1 TYR 32 HE1 TYR 32 3.658 3.645 -3.542 202 HE2 TYR 32 HE2 TYR 32 5.839 7.232 -4.424 203 HH TYR 32 HH TYR 32 5.038 5.760 -6.017 204 H SER 33 H SER 33 1.669 4.873 0.752 205 HA SER 33 HA SER 33 2.560 2.125 1.396 206 1HB SER 33 1HB SER 33 0.950 2.986 2.942 207 2HB SER 33 2HB SER 33 -0.180 3.412 1.642 208 HG SER 33 HG SER 33 -0.560 1.355 2.784 209 H GLN 34 H GLN 34 2.498 0.545 -0.189 210 HA GLN 34 HA GLN 34 1.646 1.541 -2.889 211 1HB GLN 34 1HB GLN 34 4.069 1.634 -2.308 212 2HB GLN 34 2HB GLN 34 4.105 -0.124 -2.371 213 1HG GLN 34 1HG GLN 34 3.445 -0.072 -4.750 214 2HG GLN 34 2HG GLN 34 3.174 1.666 -4.685 215 1HE2 GLN 34 2HE2 GLN 34 6.567 2.324 -5.396 216 2HE2 GLN 34 1HE2 GLN 34 4.941 3.004 -5.346 217 H CYS 35 H CYS 35 0.770 0.363 -4.412 218 HA CYS 35 HA CYS 35 -0.855 -1.902 -3.613 219 1HB CYS 35 1HB CYS 35 -1.604 0.208 -4.687 220 2HB CYS 35 2HB CYS 35 -0.714 -0.211 -6.142 221 H LEU 36 H LEU 36 0.426 -3.851 -3.601 222 HA LEU 36 HA LEU 36 1.619 -4.873 -6.166 223 1HB LEU 36 1HB LEU 36 2.430 -5.038 -3.256 224 2HB LEU 36 2HB LEU 36 2.940 -6.284 -4.377 225 HG LEU 36 HG LEU 36 4.266 -4.882 -5.684 226 1HD1 LEU 36 1HD2 LEU 36 3.097 -2.503 -4.180 227 2HD1 LEU 36 2HD2 LEU 36 4.559 -2.426 -5.186 228 3HD1 LEU 36 3HD2 LEU 36 3.021 -2.841 -5.932 229 1HD2 LEU 36 3HD1 LEU 36 5.177 -5.633 -3.494 230 2HD2 LEU 36 1HD1 LEU 36 5.873 -4.071 -3.970 231 3HD2 LEU 36 2HD1 LEU 36 4.594 -4.134 -2.739 No H/Q in entry = 231 Start of MODEL 23 1 1H THR 1 1H THR 1 -10.293 -10.141 -6.864 2 2H THR 1 2H THR 1 -8.726 -10.433 -7.259 3 3H THR 1 3H THR 1 -9.359 -11.141 -5.915 4 HA THR 1 HA THR 1 -9.351 -9.064 -4.763 5 HB THR 1 HB THR 1 -6.927 -8.242 -5.176 6 HG1 THR 1 HG1 THR 1 -6.280 -8.645 -7.111 7 1HG2 THR 1 2HG2 THR 1 -7.400 -10.165 -3.628 8 2HG2 THR 1 3HG2 THR 1 -7.186 -11.285 -4.991 9 3HG2 THR 1 1HG2 THR 1 -5.845 -10.263 -4.466 10 H GLN 2 H GLN 2 -8.481 -6.640 -4.941 11 HA GLN 2 HA GLN 2 -9.362 -5.278 -7.414 12 1HB GLN 2 2HB GLN 2 -9.784 -4.228 -5.253 13 2HB GLN 2 1HB GLN 2 -8.080 -4.333 -4.807 14 1HG GLN 2 1HG GLN 2 -8.798 -2.047 -5.445 15 2HG GLN 2 2HG GLN 2 -7.494 -2.642 -6.443 16 1HE2 GLN 2 2HE2 GLN 2 -9.420 -1.483 -9.167 17 2HE2 GLN 2 1HE2 GLN 2 -7.921 -1.270 -8.254 18 H SER 3 H SER 3 -7.518 -3.752 -8.321 19 HA SER 3 HA SER 3 -4.782 -4.810 -8.147 20 1HB SER 3 1HB SER 3 -5.750 -6.276 -9.859 21 2HB SER 3 2HB SER 3 -6.226 -4.867 -10.829 22 HG SER 3 HG SER 3 -3.987 -4.313 -10.932 23 H HIS 4 H HIS 4 -5.422 -2.474 -7.106 24 HA HIS 4 HA HIS 4 -4.810 -0.278 -9.006 25 1HB HIS 4 1HB HIS 4 -6.517 -0.002 -7.204 26 2HB HIS 4 2HB HIS 4 -5.239 -0.207 -6.006 27 HD2 HIS 4 HD2 HIS 4 -6.608 2.572 -5.764 28 HE1 HIS 4 HE1 HIS 4 -3.450 4.122 -8.129 29 HE2 HIS 4 HE2 HIS 4 -5.287 4.736 -6.465 30 H ALA 5 H ALA 5 -2.695 -0.323 -9.640 31 HA ALA 5 HA ALA 5 -0.580 -1.480 -8.038 32 1HB ALA 5 2HB ALA 5 -0.675 -1.701 -10.487 33 2HB ALA 5 3HB ALA 5 -0.424 0.051 -10.665 34 3HB ALA 5 1HB ALA 5 0.847 -0.971 -9.962 35 H GLY 6 H GLY 6 1.486 -0.484 -7.555 36 1HA GLY 6 1HA GLY 6 2.912 1.267 -6.926 37 2HA GLY 6 2HA GLY 6 1.627 2.451 -7.111 38 H GLN 7 H GLN 7 -0.108 2.432 -5.360 39 HA GLN 7 HA GLN 7 1.247 2.277 -2.766 40 1HB GLN 7 1HB GLN 7 -0.097 4.236 -3.510 41 2HB GLN 7 2HB GLN 7 -1.564 3.267 -3.304 42 1HG GLN 7 2HG GLN 7 -1.026 2.972 -0.890 43 2HG GLN 7 1HG GLN 7 0.536 3.775 -1.140 44 1HE2 GLN 7 2HE2 GLN 7 -1.280 6.462 0.296 45 2HE2 GLN 7 1HE2 GLN 7 -0.231 5.103 0.724 46 H CYS 8 H CYS 8 0.601 1.124 -0.904 47 HA CYS 8 HA CYS 8 -1.195 -1.253 -1.303 48 1HB CYS 8 1HB CYS 8 1.057 -1.724 -0.392 49 2HB CYS 8 2HB CYS 8 0.719 -0.650 0.971 50 H GLY 9 H GLY 9 -0.570 1.281 1.116 51 1HA GLY 9 1HA GLY 9 -3.092 2.398 1.541 52 2HA GLY 9 2HA GLY 9 -3.122 0.920 2.507 53 H GLY 10 H GLY 10 -1.729 4.134 2.238 54 1HA GLY 10 1HA GLY 10 0.257 3.854 4.361 55 2HA GLY 10 2HA GLY 10 -0.299 5.360 3.618 56 H ILE 11 H ILE 11 0.307 5.016 6.398 57 HA ILE 11 HA ILE 11 -2.029 5.023 8.057 58 HB ILE 11 HB ILE 11 0.560 6.600 8.282 59 1HG1 ILE 11 2HG1 ILE 11 -0.327 3.967 9.569 60 2HG1 ILE 11 1HG1 ILE 11 0.862 4.137 8.278 61 1HG2 ILE 11 2HG2 ILE 11 -1.240 7.658 9.638 62 2HG2 ILE 11 3HG2 ILE 11 -1.532 6.098 10.438 63 3HG2 ILE 11 1HG2 ILE 11 0.012 6.953 10.637 64 1HD1 ILE 11 2HD1 ILE 11 2.222 5.621 9.865 65 2HD1 ILE 11 3HD1 ILE 11 1.153 5.027 11.157 66 3HD1 ILE 11 1HD1 ILE 11 2.144 3.887 10.231 67 H GLY 12 H GLY 12 -3.666 6.530 8.334 68 1HA GLY 12 2HA GLY 12 -4.893 8.510 8.006 69 2HA GLY 12 1HA GLY 12 -3.597 9.216 7.047 70 H TYR 13 H TYR 13 -3.211 7.467 4.980 71 HA TYR 13 HA TYR 13 -5.703 7.483 3.407 72 1HB TYR 13 1HB TYR 13 -3.338 7.962 2.576 73 2HB TYR 13 2HB TYR 13 -3.089 6.224 2.560 74 HD1 TYR 13 HD1 TYR 13 -6.215 5.772 1.518 75 HD2 TYR 13 HD2 TYR 13 -2.872 8.221 0.237 76 HE1 TYR 13 HE1 TYR 13 -7.021 5.673 -0.796 77 HE2 TYR 13 HE2 TYR 13 -3.776 8.177 -2.083 78 HH TYR 13 HH TYR 13 -6.417 6.053 -3.005 79 H SER 14 H SER 14 -6.438 6.141 5.475 80 HA SER 14 HA SER 14 -6.030 3.240 5.328 81 1HB SER 14 1HB SER 14 -7.829 4.923 7.127 82 2HB SER 14 2HB SER 14 -7.458 3.205 7.331 83 HG SER 14 HG SER 14 -5.136 4.014 7.274 84 H GLY 15 H GLY 15 -6.934 3.767 2.961 85 1HA GLY 15 1HA GLY 15 -9.768 2.751 2.810 86 2HA GLY 15 2HA GLY 15 -9.147 3.973 1.720 87 HA PRO 16 HA PRO 16 -7.646 -0.549 0.534 88 1HB PRO 16 1HB PRO 16 -10.338 -0.776 -0.851 89 2HB PRO 16 2HB PRO 16 -9.259 -2.082 -0.283 90 1HG PRO 16 2HG PRO 16 -11.342 -1.332 1.261 91 2HG PRO 16 1HG PRO 16 -9.729 -1.484 2.026 92 1HD PRO 16 1HD PRO 16 -11.085 1.049 1.016 93 2HD PRO 16 2HD PRO 16 -10.326 0.719 2.603 94 H THR 17 H THR 17 -6.508 1.482 -0.580 95 HA THR 17 HA THR 17 -7.026 1.760 -3.483 96 HB THR 17 HB THR 17 -6.358 3.697 -2.175 97 HG1 THR 17 HG1 THR 17 -4.281 2.899 -3.921 98 1HG2 THR 17 2HG2 THR 17 -3.681 2.289 -1.658 99 2HG2 THR 17 3HG2 THR 17 -4.050 3.988 -1.340 100 3HG2 THR 17 1HG2 THR 17 -4.910 2.722 -0.458 101 H VAL 18 H VAL 18 -6.606 -0.844 -2.886 102 HA VAL 18 HA VAL 18 -3.754 -1.448 -2.788 103 HB VAL 18 HB VAL 18 -5.404 -2.050 -1.031 104 1HG1 VAL 18 2HG1 VAL 18 -7.279 -2.788 -2.524 105 2HG1 VAL 18 3HG1 VAL 18 -6.329 -4.231 -2.943 106 3HG1 VAL 18 1HG1 VAL 18 -6.871 -3.974 -1.277 107 1HG2 VAL 18 3HG2 VAL 18 -3.205 -3.124 -1.139 108 2HG2 VAL 18 1HG2 VAL 18 -4.448 -4.191 -0.475 109 3HG2 VAL 18 2HG2 VAL 18 -3.885 -4.433 -2.134 110 H CYS 19 H CYS 19 -2.660 -3.117 -3.788 111 HA CYS 19 HA CYS 19 -3.402 -3.674 -6.553 112 1HB CYS 19 1HB CYS 19 -1.106 -4.323 -6.792 113 2HB CYS 19 2HB CYS 19 -1.185 -2.873 -5.813 114 H ALA 20 H ALA 20 -1.870 -6.177 -6.709 115 HA ALA 20 HA ALA 20 -4.056 -8.125 -6.228 116 1HB ALA 20 2HB ALA 20 -3.043 -7.809 -8.490 117 2HB ALA 20 3HB ALA 20 -1.489 -8.358 -7.848 118 3HB ALA 20 1HB ALA 20 -2.881 -9.462 -7.898 119 H SER 21 H SER 21 -2.481 -10.455 -6.195 120 HA SER 21 HA SER 21 -1.355 -10.502 -3.423 121 1HB SER 21 1HB SER 21 -3.103 -12.164 -3.964 122 2HB SER 21 2HB SER 21 -2.071 -12.821 -5.256 123 HG SER 21 HG SER 21 -1.824 -13.969 -3.231 124 H GLY 22 H GLY 22 0.475 -12.094 -3.193 125 1HA GLY 22 1HA GLY 22 2.761 -12.603 -3.571 126 2HA GLY 22 2HA GLY 22 2.656 -11.922 -5.199 127 H THR 23 H THR 23 2.112 -10.719 -1.886 128 HA THR 23 HA THR 23 3.527 -8.150 -2.479 129 HB THR 23 HB THR 23 0.681 -8.352 -1.393 130 HG1 THR 23 HG1 THR 23 -0.027 -7.873 -3.500 131 1HG2 THR 23 3HG2 THR 23 2.254 -6.124 -2.775 132 2HG2 THR 23 1HG2 THR 23 0.576 -5.998 -2.186 133 3HG2 THR 23 2HG2 THR 23 1.905 -6.202 -1.039 134 H THR 24 H THR 24 4.499 -7.224 -0.687 135 HA THR 24 HA THR 24 3.898 -8.239 2.052 136 HB THR 24 HB THR 24 6.337 -7.918 2.636 137 HG1 THR 24 HG1 THR 24 6.728 -6.906 0.377 138 1HG2 THR 24 3HG2 THR 24 5.498 -10.114 0.694 139 2HG2 THR 24 1HG2 THR 24 6.955 -10.142 1.737 140 3HG2 THR 24 2HG2 THR 24 5.357 -10.118 2.459 141 H CYS 25 H CYS 25 3.865 -5.400 0.209 142 HA CYS 25 HA CYS 25 2.728 -3.502 0.824 143 1HB CYS 25 1HB CYS 25 1.276 -5.155 2.066 144 2HB CYS 25 2HB CYS 25 2.187 -4.752 3.518 145 H GLN 26 H GLN 26 5.110 -3.020 0.683 146 HA GLN 26 HA GLN 26 6.724 -2.661 2.961 147 1HB GLN 26 1HB GLN 26 7.523 -3.390 0.811 148 2HB GLN 26 2HB GLN 26 7.022 -1.869 0.053 149 1HG GLN 26 2HG GLN 26 9.471 -2.088 0.359 150 2HG GLN 26 1HG GLN 26 8.798 -0.648 1.121 151 1HE2 GLN 26 2HE2 GLN 26 9.847 -3.556 3.808 152 2HE2 GLN 26 1HE2 GLN 26 8.693 -3.982 2.536 153 H VAL 27 H VAL 27 7.410 -0.991 4.128 154 HA VAL 27 HA VAL 27 6.129 1.651 3.904 155 HB VAL 27 HB VAL 27 5.928 0.557 5.968 156 1HG1 VAL 27 3HG2 VAL 27 7.891 -0.939 6.067 157 2HG1 VAL 27 1HG2 VAL 27 8.966 0.458 6.268 158 3HG1 VAL 27 2HG2 VAL 27 7.777 0.064 7.513 159 1HG2 VAL 27 2HG1 VAL 27 6.197 3.030 5.921 160 2HG2 VAL 27 3HG1 VAL 27 6.662 2.288 7.459 161 3HG2 VAL 27 1HG1 VAL 27 7.915 2.831 6.331 162 H LEU 28 H LEU 28 7.120 2.971 2.421 163 HA LEU 28 HA LEU 28 10.036 3.413 2.364 164 1HB LEU 28 1HB LEU 28 7.690 4.861 1.053 165 2HB LEU 28 2HB LEU 28 9.363 5.399 0.939 166 HG LEU 28 HG LEU 28 10.024 3.199 -0.028 167 1HD1 LEU 28 3HD1 LEU 28 7.009 2.733 -0.094 168 2HD1 LEU 28 1HD1 LEU 28 8.184 1.826 -1.068 169 3HD1 LEU 28 2HD1 LEU 28 8.233 1.701 0.677 170 1HD2 LEU 28 3HD2 LEU 28 9.617 5.185 -1.428 171 2HD2 LEU 28 1HD2 LEU 28 9.108 3.713 -2.267 172 3HD2 LEU 28 2HD2 LEU 28 7.891 4.779 -1.533 173 H ASN 29 H ASN 29 7.262 5.284 3.497 174 HA ASN 29 HA ASN 29 8.719 6.057 5.886 175 1HB ASN 29 1HB ASN 29 8.196 8.456 5.792 176 2HB ASN 29 2HB ASN 29 9.169 8.004 4.414 177 1HD2 ASN 29 1HD2 ASN 29 6.576 8.859 2.114 178 2HD2 ASN 29 2HD2 ASN 29 8.152 8.073 2.284 179 HA PRO 30 HA PRO 30 5.212 4.599 7.789 180 1HB PRO 30 2HB PRO 30 4.450 6.499 9.760 181 2HB PRO 30 1HB PRO 30 5.692 5.229 9.881 182 1HG PRO 30 2HG PRO 30 6.055 8.132 9.137 183 2HG PRO 30 1HG PRO 30 7.060 7.136 10.226 184 1HD PRO 30 2HD PRO 30 7.858 7.625 7.733 185 2HD PRO 30 1HD PRO 30 8.055 5.974 8.380 186 H TYR 31 H TYR 31 4.549 7.887 6.620 187 HA TYR 31 HA TYR 31 1.642 7.480 6.510 188 1HB TYR 31 1HB TYR 31 3.450 9.741 5.613 189 2HB TYR 31 2HB TYR 31 1.696 9.778 5.569 190 HD1 TYR 31 HD1 TYR 31 0.338 9.649 7.678 191 HD2 TYR 31 HD2 TYR 31 4.641 10.057 7.769 192 HE1 TYR 31 HE1 TYR 31 0.263 10.066 10.138 193 HE2 TYR 31 HE2 TYR 31 4.545 10.430 10.229 194 HH TYR 31 HH TYR 31 3.222 10.504 12.066 195 H TYR 32 H TYR 32 3.919 6.156 4.520 196 HA TYR 32 HA TYR 32 1.992 5.966 2.272 197 1HB TYR 32 1HB TYR 32 3.615 7.945 1.930 198 2HB TYR 32 2HB TYR 32 4.864 6.738 1.756 199 HD1 TYR 32 HD1 TYR 32 2.249 4.985 0.240 200 HD2 TYR 32 HD2 TYR 32 4.459 8.632 -0.445 201 HE1 TYR 32 HE1 TYR 32 2.725 4.266 -2.065 202 HE2 TYR 32 HE2 TYR 32 4.941 7.872 -2.768 203 HH TYR 32 HH TYR 32 5.038 6.047 -4.109 204 H SER 33 H SER 33 1.762 3.778 3.090 205 HA SER 33 HA SER 33 3.963 1.864 2.615 206 1HB SER 33 1HB SER 33 2.614 1.309 4.462 207 2HB SER 33 2HB SER 33 1.110 1.466 3.538 208 HG SER 33 HG SER 33 2.295 -0.776 3.787 209 H GLN 34 H GLN 34 4.153 0.481 0.945 210 HA GLN 34 HA GLN 34 2.737 1.168 -1.594 211 1HB GLN 34 1HB GLN 34 4.872 2.368 -1.098 212 2HB GLN 34 2HB GLN 34 5.707 0.808 -1.047 213 1HG GLN 34 1HG GLN 34 5.045 0.458 -3.465 214 2HG GLN 34 2HG GLN 34 4.279 2.055 -3.443 215 1HE2 GLN 34 2HE2 GLN 34 7.351 3.723 -3.925 216 2HE2 GLN 34 1HE2 GLN 34 5.611 3.948 -3.628 217 H CYS 35 H CYS 35 2.595 -0.429 -3.212 218 HA CYS 35 HA CYS 35 2.586 -3.232 -2.462 219 1HB CYS 35 1HB CYS 35 0.957 -2.166 -4.011 220 2HB CYS 35 2HB CYS 35 2.264 -1.935 -5.179 221 H LEU 36 H LEU 36 4.964 -2.783 -1.790 222 HA LEU 36 HA LEU 36 6.105 -5.012 -3.362 223 1HB LEU 36 1HB LEU 36 7.728 -3.208 -1.495 224 2HB LEU 36 2HB LEU 36 8.231 -4.745 -2.148 225 HG LEU 36 HG LEU 36 8.019 -3.667 -4.480 226 1HD1 LEU 36 1HD2 LEU 36 7.947 -1.145 -2.733 227 2HD1 LEU 36 2HD2 LEU 36 8.417 -1.151 -4.440 228 3HD1 LEU 36 3HD2 LEU 36 6.777 -1.602 -3.990 229 1HD2 LEU 36 1HD1 LEU 36 10.160 -4.176 -3.315 230 2HD2 LEU 36 2HD1 LEU 36 10.285 -2.688 -4.262 231 3HD2 LEU 36 3HD1 LEU 36 10.092 -2.602 -2.499 No H/Q in entry = 231
Contact the webmaster for help, if required. Friday, April 26, 2024 8:11:06 AM GMT (wattos1)