NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
505618 | 2ytf | 10185 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 4.364 -29.412 13.237 2 HA2 GLY 1 1HA GLY 1 6.686 -29.447 14.592 3 HA3 GLY 1 2HA GLY 1 7.221 -28.990 12.981 4 H SER 2 H SER 2 7.006 -26.919 12.324 5 HA SER 2 HA SER 2 5.951 -25.032 14.300 6 HB2 SER 2 1HB SER 2 7.990 -24.875 12.127 7 HB3 SER 2 2HB SER 2 7.127 -23.399 12.559 8 HG SER 2 HG SER 2 9.084 -24.723 13.908 9 H SER 3 H SER 3 3.735 -25.310 13.831 10 HA SER 3 HA SER 3 2.537 -25.187 11.329 11 HB2 SER 3 1HB SER 3 1.606 -24.567 14.106 12 HB3 SER 3 2HB SER 3 0.563 -24.164 12.742 13 HG SER 3 HG SER 3 0.347 -26.340 13.733 14 H GLY 4 H GLY 4 0.895 -23.288 10.830 15 HA2 GLY 4 1HA GLY 4 1.631 -20.635 11.427 16 HA3 GLY 4 2HA GLY 4 2.420 -21.117 9.933 17 H SER 5 H SER 5 1.354 -20.592 8.156 18 HA SER 5 HA SER 5 -1.507 -20.024 8.334 19 HB2 SER 5 1HB SER 5 0.682 -19.237 6.452 20 HB3 SER 5 2HB SER 5 -0.985 -19.214 5.877 21 HG SER 5 HG SER 5 -0.868 -17.273 6.746 22 H SER 6 H SER 6 -2.295 -22.157 8.379 23 HA SER 6 HA SER 6 -1.624 -24.088 6.399 24 HB2 SER 6 1HB SER 6 -2.455 -24.963 8.430 25 HB3 SER 6 2HB SER 6 -3.844 -23.877 8.427 26 HG SER 6 HG SER 6 -3.417 -25.898 6.485 27 H GLY 7 H GLY 7 -4.442 -21.962 6.860 28 HA2 GLY 7 1HA GLY 7 -4.837 -21.864 3.988 29 HA3 GLY 7 2HA GLY 7 -6.125 -22.657 4.885 30 H THR 8 H THR 8 -4.260 -19.637 4.756 31 HA THR 8 HA THR 8 -6.630 -18.229 5.795 32 HB THR 8 HB THR 8 -4.700 -17.929 7.238 33 HG1 THR 8 HG1 THR 8 -4.995 -15.798 7.406 34 HG21 THR 8 3HG2 THR 8 -2.852 -16.404 5.994 35 HG22 THR 8 1HG2 THR 8 -3.334 -17.456 4.664 36 HG23 THR 8 2HG2 THR 8 -2.720 -18.154 6.163 37 H GLY 9 H GLY 9 -7.501 -16.542 4.671 38 HA2 GLY 9 1HA GLY 9 -7.085 -16.421 1.883 39 HA3 GLY 9 2HA GLY 9 -8.034 -15.283 2.827 40 H GLU 10 H GLU 10 -6.778 -14.202 0.782 41 HA GLU 10 HA GLU 10 -4.531 -12.768 2.025 42 HB2 GLU 10 1HB GLU 10 -3.328 -12.722 -0.067 43 HB3 GLU 10 2HB GLU 10 -3.687 -14.392 0.349 44 HG2 GLU 10 1HG GLU 10 -5.798 -13.948 -1.168 45 HG3 GLU 10 2HG GLU 10 -4.744 -12.714 -1.856 46 H LYS 11 H LYS 11 -4.139 -10.627 1.070 47 HA LYS 11 HA LYS 11 -6.682 -9.353 0.383 48 HB2 LYS 11 1HB LYS 11 -4.081 -8.337 1.498 49 HB3 LYS 11 2HB LYS 11 -5.266 -7.231 0.817 50 HG2 LYS 11 1HG LYS 11 -5.933 -9.181 3.001 51 HG3 LYS 11 2HG LYS 11 -5.338 -7.550 3.316 52 HD2 LYS 11 1HD LYS 11 -7.266 -6.795 1.772 53 HD3 LYS 11 2HD LYS 11 -7.920 -8.409 2.056 54 HE2 LYS 11 1HE LYS 11 -7.212 -6.400 4.192 55 HE3 LYS 11 2HE LYS 11 -8.840 -6.745 3.613 56 HZ1 LYS 11 3HZ LYS 11 -7.513 -9.132 4.388 57 HZ2 LYS 11 1HZ LYS 11 -8.972 -8.487 4.954 58 HZ3 LYS 11 2HZ LYS 11 -7.509 -8.015 5.659 59 HA PRO 12 HA PRO 12 -5.593 -8.553 -3.795 60 HB2 PRO 12 1HB PRO 12 -6.820 -6.165 -4.202 61 HB3 PRO 12 2HB PRO 12 -7.706 -7.688 -4.052 62 HG2 PRO 12 1HG PRO 12 -7.228 -5.563 -1.997 63 HG3 PRO 12 2HG PRO 12 -8.715 -6.462 -2.353 64 HD2 PRO 12 1HD PRO 12 -7.096 -7.088 -0.274 65 HD3 PRO 12 2HD PRO 12 -8.033 -8.311 -1.157 66 H PHE 13 H PHE 13 -4.647 -6.402 -1.278 67 HA PHE 13 HA PHE 13 -2.550 -5.304 -3.024 68 HB2 PHE 13 1HB PHE 13 -3.837 -3.719 -0.803 69 HB3 PHE 13 2HB PHE 13 -2.759 -3.136 -2.067 70 HD1 PHE 13 HD1 PHE 13 -3.585 -3.065 -4.432 71 HD2 PHE 13 HD2 PHE 13 -6.160 -3.791 -1.122 72 HE1 PHE 13 HE1 PHE 13 -5.529 -2.471 -5.818 73 HE2 PHE 13 HE2 PHE 13 -8.108 -3.199 -2.503 74 HZ PHE 13 HZ PHE 13 -7.794 -2.539 -4.855 75 H GLU 14 H GLU 14 -0.569 -5.701 -2.304 76 HA GLU 14 HA GLU 14 -0.152 -6.054 0.585 77 HB2 GLU 14 1HB GLU 14 -0.270 -8.231 -0.821 78 HB3 GLU 14 2HB GLU 14 1.312 -7.749 -1.415 79 HG2 GLU 14 1HG GLU 14 1.954 -7.563 1.066 80 HG3 GLU 14 2HG GLU 14 0.500 -8.516 1.359 81 H CYS 15 H CYS 15 1.661 -5.138 1.399 82 HA CYS 15 HA CYS 15 2.963 -3.105 0.023 83 HB2 CYS 15 1HB CYS 15 2.841 -3.727 2.593 84 HB3 CYS 15 2HB CYS 15 4.385 -4.499 2.250 85 H SER 16 H SER 16 5.549 -3.123 0.054 86 HA SER 16 HA SER 16 6.384 -5.501 -1.474 87 HB2 SER 16 1HB SER 16 6.083 -3.450 -2.875 88 HB3 SER 16 2HB SER 16 7.337 -2.662 -1.917 89 HG SER 16 HG SER 16 8.743 -4.397 -2.583 90 H GLU 17 H GLU 17 7.162 -3.167 0.974 91 HA GLU 17 HA GLU 17 9.881 -4.155 1.277 92 HB2 GLU 17 1HB GLU 17 8.293 -1.957 2.573 93 HB3 GLU 17 2HB GLU 17 9.819 -2.495 3.261 94 HG2 GLU 17 1HG GLU 17 9.728 -1.776 0.378 95 HG3 GLU 17 2HG GLU 17 9.713 -0.487 1.580 96 H CYS 18 H CYS 18 6.986 -3.858 3.339 97 HA CYS 18 HA CYS 18 8.079 -5.912 5.114 98 HB2 CYS 18 1HB CYS 18 6.424 -5.215 6.716 99 HB3 CYS 18 2HB CYS 18 7.202 -3.774 6.072 100 H GLN 19 H GLN 19 5.925 -5.582 2.537 101 HA GLN 19 HA GLN 19 4.436 -6.983 1.543 102 HB2 GLN 19 1HB GLN 19 5.702 -9.052 3.347 103 HB3 GLN 19 2HB GLN 19 4.690 -9.394 1.950 104 HG2 GLN 19 1HG GLN 19 7.331 -7.955 1.855 105 HG3 GLN 19 2HG GLN 19 7.091 -9.664 1.496 106 HE21 GLN 19 1HE2 GLN 19 4.920 -9.763 -0.019 107 HE22 GLN 19 2HE2 GLN 19 5.117 -8.851 -1.473 108 H LYS 20 H LYS 20 3.388 -5.461 3.559 109 HA LYS 20 HA LYS 20 1.818 -7.150 5.316 110 HB2 LYS 20 1HB LYS 20 2.684 -5.015 6.149 111 HB3 LYS 20 2HB LYS 20 1.790 -4.154 4.902 112 HG2 LYS 20 1HG LYS 20 -0.313 -5.078 5.899 113 HG3 LYS 20 2HG LYS 20 0.669 -5.687 7.233 114 HD2 LYS 20 1HD LYS 20 1.460 -3.356 7.625 115 HD3 LYS 20 2HD LYS 20 0.316 -2.810 6.397 116 HE2 LYS 20 1HE LYS 20 -1.371 -4.199 7.903 117 HE3 LYS 20 2HE LYS 20 -0.174 -3.832 9.143 118 HZ1 LYS 20 3HZ LYS 20 -0.408 -1.476 8.591 119 HZ2 LYS 20 1HZ LYS 20 -1.878 -2.146 9.093 120 HZ3 LYS 20 2HZ LYS 20 -1.600 -1.852 7.451 121 H ALA 21 H ALA 21 -0.489 -7.161 5.356 122 HA ALA 21 HA ALA 21 -1.639 -7.061 2.683 123 HB1 ALA 21 3HB ALA 21 -2.475 -8.974 3.492 124 HB2 ALA 21 1HB ALA 21 -2.207 -8.495 5.169 125 HB3 ALA 21 2HB ALA 21 -3.645 -7.939 4.311 126 H PHE 22 H PHE 22 -3.356 -5.793 2.073 127 HA PHE 22 HA PHE 22 -4.441 -3.897 4.022 128 HB2 PHE 22 1HB PHE 22 -2.998 -3.208 1.480 129 HB3 PHE 22 2HB PHE 22 -4.244 -2.139 2.115 130 HD1 PHE 22 HD2 PHE 22 -0.934 -3.601 2.745 131 HD2 PHE 22 HD1 PHE 22 -3.862 -0.801 4.051 132 HE1 PHE 22 HE2 PHE 22 0.719 -2.582 4.257 133 HE2 PHE 22 HE1 PHE 22 -2.214 0.223 5.564 134 HZ PHE 22 HZ PHE 22 0.080 -0.669 5.669 135 H ASN 23 H ASN 23 -6.475 -3.001 3.447 136 HA ASN 23 HA ASN 23 -8.040 -4.770 1.766 137 HB2 ASN 23 1HB ASN 23 -9.957 -3.321 2.619 138 HB3 ASN 23 2HB ASN 23 -9.077 -4.247 3.832 139 HD21 ASN 23 1HD2 ASN 23 -7.897 -3.198 5.371 140 HD22 ASN 23 2HD2 ASN 23 -7.926 -1.484 5.586 141 H THR 24 H THR 24 -7.451 -1.264 1.984 142 HA THR 24 HA THR 24 -8.375 -1.007 -0.798 143 HB THR 24 HB THR 24 -8.536 1.447 -0.285 144 HG1 THR 24 HG1 THR 24 -8.285 0.611 2.425 145 HG21 THR 24 3HG2 THR 24 -10.690 1.214 0.394 146 HG22 THR 24 1HG2 THR 24 -10.267 0.149 1.734 147 HG23 THR 24 2HG2 THR 24 -10.358 -0.491 0.093 148 H LYS 25 H LYS 25 -7.136 0.085 -2.318 149 HA LYS 25 HA LYS 25 -4.344 -0.190 -2.110 150 HB2 LYS 25 1HB LYS 25 -5.665 -0.180 -4.240 151 HB3 LYS 25 2HB LYS 25 -5.857 1.559 -4.057 152 HG2 LYS 25 1HG LYS 25 -4.060 1.535 -5.439 153 HG3 LYS 25 2HG LYS 25 -3.217 1.463 -3.890 154 HD2 LYS 25 1HD LYS 25 -2.613 -0.723 -4.166 155 HD3 LYS 25 2HD LYS 25 -4.029 -1.103 -5.149 156 HE2 LYS 25 1HE LYS 25 -2.017 0.783 -6.258 157 HE3 LYS 25 2HE LYS 25 -1.598 -0.928 -6.192 158 HZ1 LYS 25 3HZ LYS 25 -2.589 -0.715 -8.249 159 HZ2 LYS 25 1HZ LYS 25 -3.748 0.393 -7.712 160 HZ3 LYS 25 2HZ LYS 25 -3.886 -1.241 -7.299 161 H SER 26 H SER 26 -6.422 2.691 -1.978 162 HA SER 26 HA SER 26 -4.566 4.687 -1.800 163 HB2 SER 26 1HB SER 26 -7.164 4.401 -0.277 164 HB3 SER 26 2HB SER 26 -6.227 5.894 -0.345 165 HG SER 26 HG SER 26 -6.924 6.234 -2.302 166 H ASN 27 H ASN 27 -5.860 2.832 0.956 167 HA ASN 27 HA ASN 27 -4.293 4.002 2.943 168 HB2 ASN 27 1HB ASN 27 -5.750 1.413 2.667 169 HB3 ASN 27 2HB ASN 27 -4.615 1.585 4.002 170 HD21 ASN 27 1HD2 ASN 27 -7.115 3.548 2.416 171 HD22 ASN 27 2HD2 ASN 27 -7.870 4.070 3.880 172 H LEU 28 H LEU 28 -3.631 1.240 0.838 173 HA LEU 28 HA LEU 28 -1.222 0.433 2.046 174 HB2 LEU 28 1HB LEU 28 -2.180 -1.115 0.600 175 HB3 LEU 28 2HB LEU 28 -2.414 0.079 -0.675 176 HG LEU 28 HG LEU 28 0.072 0.099 -0.991 177 HD11 LEU 28 1HD1 LEU 28 1.315 -1.844 -0.107 178 HD12 LEU 28 2HD1 LEU 28 -0.085 -2.259 0.880 179 HD13 LEU 28 3HD1 LEU 28 0.769 -0.742 1.157 180 HD21 LEU 28 3HD2 LEU 28 -0.838 -2.702 -1.393 181 HD22 LEU 28 1HD2 LEU 28 -0.029 -1.602 -2.509 182 HD23 LEU 28 2HD2 LEU 28 -1.749 -1.407 -2.171 183 H ILE 29 H ILE 29 -1.745 2.401 -0.883 184 HA ILE 29 HA ILE 29 0.827 3.028 -1.538 185 HB ILE 29 HB ILE 29 -1.518 4.931 -1.588 186 HG12 ILE 29 1HG1 ILE 29 -0.477 3.383 -3.937 187 HG13 ILE 29 2HG1 ILE 29 -1.582 2.615 -2.803 188 HG21 ILE 29 1HG2 ILE 29 0.233 6.350 -1.984 189 HG22 ILE 29 2HG2 ILE 29 1.245 5.085 -2.678 190 HG23 ILE 29 3HG2 ILE 29 -0.076 5.773 -3.622 191 HD11 ILE 29 3HD1 ILE 29 -2.158 5.177 -4.268 192 HD12 ILE 29 1HD1 ILE 29 -2.692 3.579 -4.788 193 HD13 ILE 29 2HD1 ILE 29 -3.272 4.250 -3.263 194 H VAL 30 H VAL 30 -1.209 4.824 0.769 195 HA VAL 30 HA VAL 30 0.722 6.713 1.520 196 HB VAL 30 HB VAL 30 -1.571 5.622 3.158 197 HG11 VAL 30 1HG1 VAL 30 0.075 6.744 4.558 198 HG12 VAL 30 2HG1 VAL 30 0.036 8.153 3.496 199 HG13 VAL 30 3HG1 VAL 30 -1.395 7.711 4.428 200 HG21 VAL 30 3HG2 VAL 30 -1.465 7.350 0.853 201 HG22 VAL 30 1HG2 VAL 30 -2.865 6.681 1.691 202 HG23 VAL 30 2HG2 VAL 30 -2.149 8.196 2.241 203 H HIS 31 H HIS 31 0.159 3.427 2.565 204 HA HIS 31 HA HIS 31 1.841 3.582 4.881 205 HB2 HIS 31 1HB HIS 31 0.214 1.900 5.013 206 HB3 HIS 31 2HB HIS 31 0.529 1.335 3.375 207 HD1 HIS 31 HD1 HIS 31 2.207 1.363 6.779 208 HD2 HIS 31 HD2 HIS 31 2.208 -0.798 3.231 209 HE1 HIS 31 HE1 HIS 31 3.679 -0.631 7.207 210 H GLN 32 H GLN 32 2.298 2.896 1.506 211 HA GLN 32 HA GLN 32 4.791 1.563 1.712 212 HB2 GLN 32 1HB GLN 32 3.293 2.926 -0.489 213 HB3 GLN 32 2HB GLN 32 4.981 2.501 -0.740 214 HG2 GLN 32 1HG GLN 32 4.272 0.151 0.046 215 HG3 GLN 32 2HG GLN 32 2.633 0.707 -0.290 216 HE21 GLN 32 1HE2 GLN 32 2.053 -0.275 -2.102 217 HE22 GLN 32 2HE2 GLN 32 2.958 -0.292 -3.573 218 H ARG 33 H ARG 33 3.863 4.947 1.439 219 HA ARG 33 HA ARG 33 6.356 6.063 0.879 220 HB2 ARG 33 1HB ARG 33 4.536 7.505 2.744 221 HB3 ARG 33 2HB ARG 33 5.392 8.098 1.327 222 HG2 ARG 33 1HG ARG 33 3.708 6.470 0.090 223 HG3 ARG 33 2HG ARG 33 2.747 6.781 1.537 224 HD2 ARG 33 1HD ARG 33 2.584 9.053 1.094 225 HD3 ARG 33 2HD ARG 33 3.997 9.048 0.039 226 HE ARG 33 HE ARG 33 1.735 7.517 -0.914 227 HH11 ARG 33 1HH1 ARG 33 3.398 10.575 -0.919 228 HH12 ARG 33 2HH1 ARG 33 2.684 11.109 -2.404 229 HH21 ARG 33 1HH2 ARG 33 0.788 8.209 -2.870 230 HH22 ARG 33 2HH2 ARG 33 1.198 9.763 -3.513 231 H THR 34 H THR 34 4.819 5.484 4.037 232 HA THR 34 HA THR 34 6.641 6.504 5.765 233 HB THR 34 HB THR 34 4.509 5.151 6.281 234 HG1 THR 34 HG1 THR 34 6.633 4.511 8.029 235 HG21 THR 34 3HG2 THR 34 4.564 2.890 6.399 236 HG22 THR 34 1HG2 THR 34 6.248 2.852 6.920 237 HG23 THR 34 2HG2 THR 34 5.858 3.071 5.214 238 H HIS 35 H HIS 35 7.035 3.678 3.758 239 HA HIS 35 HA HIS 35 9.377 2.709 5.097 240 HB2 HIS 35 1HB HIS 35 8.130 2.071 2.423 241 HB3 HIS 35 2HB HIS 35 9.603 1.296 3.000 242 HD1 HIS 35 HD1 HIS 35 8.980 0.557 5.814 243 HD2 HIS 35 HD2 HIS 35 6.158 0.266 2.779 244 HE1 HIS 35 HE1 HIS 35 7.288 -1.116 6.627 245 H THR 36 H THR 36 10.063 5.188 4.902 246 HA THR 36 HA THR 36 11.969 5.296 2.661 247 HB THR 36 HB THR 36 11.708 7.810 2.724 248 HG1 THR 36 HG1 THR 36 10.593 7.954 4.721 249 HG21 THR 36 3HG2 THR 36 10.666 7.201 0.832 250 HG22 THR 36 1HG2 THR 36 9.172 7.437 1.738 251 HG23 THR 36 2HG2 THR 36 9.877 5.826 1.605 252 H GLY 37 H GLY 37 13.920 6.483 3.079 253 HA2 GLY 37 1HA GLY 37 15.569 7.431 4.424 254 HA3 GLY 37 2HA GLY 37 14.467 7.344 5.791 255 H GLU 38 H GLU 38 16.143 6.539 7.116 256 HA GLU 38 HA GLU 38 16.551 3.660 6.797 257 HB2 GLU 38 1HB GLU 38 18.706 5.736 6.986 258 HB3 GLU 38 2HB GLU 38 18.974 4.133 7.656 259 HG2 GLU 38 1HG GLU 38 19.854 3.955 5.533 260 HG3 GLU 38 2HG GLU 38 18.237 3.283 5.339 261 H LYS 39 H LYS 39 16.661 2.530 8.699 262 HA LYS 39 HA LYS 39 16.100 2.108 10.873 263 HB2 LYS 39 1HB LYS 39 18.245 4.177 10.955 264 HB3 LYS 39 2HB LYS 39 17.445 3.760 12.465 265 HG2 LYS 39 1HG LYS 39 19.229 2.317 12.469 266 HG3 LYS 39 2HG LYS 39 17.967 1.313 11.751 267 HD2 LYS 39 1HD LYS 39 18.834 2.093 9.496 268 HD3 LYS 39 2HD LYS 39 20.228 2.737 10.367 269 HE2 LYS 39 1HE LYS 39 19.359 -0.119 10.680 270 HE3 LYS 39 2HE LYS 39 20.409 0.383 9.355 271 HZ1 LYS 39 3HZ LYS 39 22.128 0.319 10.724 272 HZ2 LYS 39 1HZ LYS 39 21.127 -0.209 11.982 273 HZ3 LYS 39 2HZ LYS 39 21.402 1.445 11.757 274 HA PRO 40 HA PRO 40 13.186 5.825 10.986 275 HB2 PRO 40 1HB PRO 40 10.936 4.489 10.264 276 HB3 PRO 40 2HB PRO 40 12.019 5.250 9.092 277 HG2 PRO 40 1HG PRO 40 11.838 2.378 9.918 278 HG3 PRO 40 2HG PRO 40 12.030 3.066 8.295 279 HD2 PRO 40 1HD PRO 40 14.108 2.045 9.698 280 HD3 PRO 40 2HD PRO 40 14.294 3.400 8.566 281 H SER 41 H SER 41 12.513 2.432 11.841 282 HA SER 41 HA SER 41 11.222 3.362 14.311 283 HB2 SER 41 1HB SER 41 10.069 1.741 12.652 284 HB3 SER 41 2HB SER 41 11.162 0.523 13.310 285 HG SER 41 HG SER 41 8.923 1.627 14.406 286 H GLY 42 H GLY 42 13.585 0.989 13.118 287 HA2 GLY 42 1HA GLY 42 15.582 1.314 14.893 288 HA3 GLY 42 2HA GLY 42 14.439 0.347 15.812 289 HA PRO 43 HA PRO 43 17.090 -2.153 12.653 290 HB2 PRO 43 1HB PRO 43 19.317 -2.683 14.113 291 HB3 PRO 43 2HB PRO 43 19.189 -1.295 13.026 292 HG2 PRO 43 1HG PRO 43 18.851 -1.410 15.998 293 HG3 PRO 43 2HG PRO 43 19.703 -0.206 15.015 294 HD2 PRO 43 1HD PRO 43 17.215 0.213 15.998 295 HD3 PRO 43 2HD PRO 43 17.758 0.895 14.451 296 H SER 44 H SER 44 17.351 -4.417 12.781 297 HA SER 44 HA SER 44 15.732 -5.684 14.754 298 HB2 SER 44 1HB SER 44 17.415 -6.697 12.471 299 HB3 SER 44 2HB SER 44 16.624 -7.808 13.589 300 HG SER 44 HG SER 44 15.227 -7.467 11.903 301 H SER 45 H SER 45 19.181 -6.077 13.929 302 HA SER 45 HA SER 45 20.983 -6.699 15.170 303 HB2 SER 45 1HB SER 45 19.290 -5.698 17.473 304 HB3 SER 45 2HB SER 45 21.020 -6.033 17.548 305 HG SER 45 HG SER 45 19.709 -3.854 16.562 306 H GLY 46 H GLY 46 19.221 -8.730 14.482 307 HA2 GLY 46 1HA GLY 46 19.696 -11.037 15.191 308 HA3 GLY 46 2HA GLY 46 19.428 -10.497 16.842 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -5.206 -34.428 15.799 2 HA2 GLY 1 1HA GLY 1 -7.207 -33.933 16.832 3 HA3 GLY 1 2HA GLY 1 -6.384 -32.437 17.247 4 H SER 2 H SER 2 -6.665 -30.595 15.891 5 HA SER 2 HA SER 2 -8.966 -30.769 14.065 6 HB2 SER 2 1HB SER 2 -9.823 -28.652 14.928 7 HB3 SER 2 2HB SER 2 -9.681 -29.821 16.241 8 HG SER 2 HG SER 2 -7.408 -28.662 16.279 9 H SER 3 H SER 3 -9.148 -28.621 12.783 10 HA SER 3 HA SER 3 -6.442 -27.914 11.858 11 HB2 SER 3 1HB SER 3 -9.049 -28.048 10.327 12 HB3 SER 3 2HB SER 3 -7.543 -27.413 9.663 13 HG SER 3 HG SER 3 -6.685 -29.583 10.366 14 H GLY 4 H GLY 4 -9.744 -26.548 11.795 15 HA2 GLY 4 1HA GLY 4 -10.498 -24.449 12.372 16 HA3 GLY 4 2HA GLY 4 -8.947 -24.164 13.146 17 H SER 5 H SER 5 -7.895 -22.491 12.335 18 HA SER 5 HA SER 5 -7.404 -20.751 10.917 19 HB2 SER 5 1HB SER 5 -6.008 -22.881 10.234 20 HB3 SER 5 2HB SER 5 -6.980 -22.789 8.765 21 HG SER 5 HG SER 5 -5.808 -20.430 9.665 22 H SER 6 H SER 6 -10.151 -21.126 11.008 23 HA SER 6 HA SER 6 -11.278 -21.308 8.389 24 HB2 SER 6 1HB SER 6 -12.694 -21.907 10.216 25 HB3 SER 6 2HB SER 6 -12.388 -20.379 11.041 26 HG SER 6 HG SER 6 -14.020 -19.605 9.992 27 H GLY 7 H GLY 7 -11.654 -19.755 6.920 28 HA2 GLY 7 1HA GLY 7 -11.688 -17.691 5.913 29 HA3 GLY 7 2HA GLY 7 -11.996 -17.014 7.506 30 H THR 8 H THR 8 -9.353 -18.363 5.543 31 HA THR 8 HA THR 8 -7.220 -17.366 7.021 32 HB THR 8 HB THR 8 -5.921 -17.460 4.872 33 HG1 THR 8 HG1 THR 8 -7.495 -16.989 3.360 34 HG21 THR 8 3HG2 THR 8 -6.600 -19.452 6.457 35 HG22 THR 8 1HG2 THR 8 -5.770 -19.753 4.932 36 HG23 THR 8 2HG2 THR 8 -7.516 -19.974 5.044 37 H GLY 9 H GLY 9 -5.701 -15.616 6.366 38 HA2 GLY 9 1HA GLY 9 -7.243 -13.215 5.623 39 HA3 GLY 9 2HA GLY 9 -5.817 -13.217 6.649 40 H GLU 10 H GLU 10 -7.008 -12.901 3.479 41 HA GLU 10 HA GLU 10 -4.299 -12.413 2.508 42 HB2 GLU 10 1HB GLU 10 -4.872 -14.762 1.912 43 HB3 GLU 10 2HB GLU 10 -6.254 -14.162 1.007 44 HG2 GLU 10 1HG GLU 10 -4.754 -12.927 -0.472 45 HG3 GLU 10 2HG GLU 10 -3.368 -13.530 0.434 46 H LYS 11 H LYS 11 -4.428 -10.334 1.968 47 HA LYS 11 HA LYS 11 -6.870 -9.285 0.762 48 HB2 LYS 11 1HB LYS 11 -4.505 -8.108 2.129 49 HB3 LYS 11 2HB LYS 11 -5.312 -7.118 0.920 50 HG2 LYS 11 1HG LYS 11 -6.303 -6.531 2.955 51 HG3 LYS 11 2HG LYS 11 -7.465 -7.608 2.176 52 HD2 LYS 11 1HD LYS 11 -6.236 -9.466 3.525 53 HD3 LYS 11 2HD LYS 11 -5.678 -8.119 4.521 54 HE2 LYS 11 1HE LYS 11 -7.609 -8.719 5.618 55 HE3 LYS 11 2HE LYS 11 -8.208 -7.465 4.533 56 HZ1 LYS 11 3HZ LYS 11 -9.666 -8.967 3.835 57 HZ2 LYS 11 1HZ LYS 11 -8.881 -10.233 4.639 58 HZ3 LYS 11 2HZ LYS 11 -8.385 -9.781 3.086 59 HA PRO 12 HA PRO 12 -5.368 -9.068 -3.355 60 HB2 PRO 12 1HB PRO 12 -6.332 -6.675 -4.199 61 HB3 PRO 12 2HB PRO 12 -7.364 -8.085 -3.929 62 HG2 PRO 12 1HG PRO 12 -6.867 -5.732 -2.146 63 HG3 PRO 12 2HG PRO 12 -8.395 -6.552 -2.518 64 HD2 PRO 12 1HD PRO 12 -7.021 -6.999 -0.228 65 HD3 PRO 12 2HD PRO 12 -7.989 -8.257 -1.022 66 H PHE 13 H PHE 13 -4.856 -6.087 -1.492 67 HA PHE 13 HA PHE 13 -2.483 -5.489 -3.097 68 HB2 PHE 13 1HB PHE 13 -3.698 -3.793 -0.913 69 HB3 PHE 13 2HB PHE 13 -2.549 -3.290 -2.149 70 HD1 PHE 13 HD1 PHE 13 -3.266 -2.911 -4.438 71 HD2 PHE 13 HD2 PHE 13 -6.038 -4.030 -1.408 72 HE1 PHE 13 HE1 PHE 13 -5.129 -2.225 -5.893 73 HE2 PHE 13 HE2 PHE 13 -7.905 -3.347 -2.858 74 HZ PHE 13 HZ PHE 13 -7.451 -2.444 -5.104 75 H GLU 14 H GLU 14 -0.468 -5.763 -2.364 76 HA GLU 14 HA GLU 14 -0.039 -6.146 0.513 77 HB2 GLU 14 1HB GLU 14 -0.234 -8.359 -0.707 78 HB3 GLU 14 2HB GLU 14 1.236 -7.921 -1.566 79 HG2 GLU 14 1HG GLU 14 2.287 -7.636 0.744 80 HG3 GLU 14 2HG GLU 14 0.877 -8.504 1.349 81 H CYS 15 H CYS 15 1.617 -4.995 1.261 82 HA CYS 15 HA CYS 15 3.014 -3.132 -0.204 83 HB2 CYS 15 1HB CYS 15 2.825 -3.589 2.400 84 HB3 CYS 15 2HB CYS 15 4.379 -4.375 2.142 85 H SER 16 H SER 16 5.567 -3.125 -0.192 86 HA SER 16 HA SER 16 6.424 -5.604 -1.537 87 HB2 SER 16 1HB SER 16 6.921 -2.717 -2.168 88 HB3 SER 16 2HB SER 16 8.122 -3.922 -2.633 89 HG SER 16 HG SER 16 6.883 -4.299 -4.275 90 H GLU 17 H GLU 17 7.225 -3.126 0.782 91 HA GLU 17 HA GLU 17 9.898 -4.153 1.226 92 HB2 GLU 17 1HB GLU 17 8.286 -1.875 2.294 93 HB3 GLU 17 2HB GLU 17 9.659 -2.448 3.229 94 HG2 GLU 17 1HG GLU 17 9.703 -1.404 0.409 95 HG3 GLU 17 2HG GLU 17 10.345 -0.613 1.848 96 H CYS 18 H CYS 18 6.991 -3.739 3.256 97 HA CYS 18 HA CYS 18 8.003 -5.816 5.054 98 HB2 CYS 18 1HB CYS 18 6.462 -5.005 6.679 99 HB3 CYS 18 2HB CYS 18 7.196 -3.587 5.938 100 H GLN 19 H GLN 19 5.961 -5.502 2.430 101 HA GLN 19 HA GLN 19 4.344 -6.801 1.492 102 HB2 GLN 19 1HB GLN 19 5.558 -8.935 3.255 103 HB3 GLN 19 2HB GLN 19 4.546 -9.213 1.844 104 HG2 GLN 19 1HG GLN 19 6.603 -9.528 0.930 105 HG3 GLN 19 2HG GLN 19 6.399 -7.802 0.637 106 HE21 GLN 19 1HE2 GLN 19 8.580 -7.375 0.587 107 HE22 GLN 19 2HE2 GLN 19 9.581 -7.436 1.994 108 H LYS 20 H LYS 20 3.305 -5.263 3.435 109 HA LYS 20 HA LYS 20 1.782 -6.887 5.292 110 HB2 LYS 20 1HB LYS 20 2.552 -4.786 6.137 111 HB3 LYS 20 2HB LYS 20 1.888 -3.919 4.759 112 HG2 LYS 20 1HG LYS 20 -0.330 -4.237 5.506 113 HG3 LYS 20 2HG LYS 20 0.171 -5.425 6.711 114 HD2 LYS 20 1HD LYS 20 1.121 -2.572 6.767 115 HD3 LYS 20 2HD LYS 20 -0.370 -3.088 7.559 116 HE2 LYS 20 1HE LYS 20 0.759 -4.411 9.096 117 HE3 LYS 20 2HE LYS 20 2.201 -4.525 8.089 118 HZ1 LYS 20 3HZ LYS 20 1.273 -2.106 9.540 119 HZ2 LYS 20 1HZ LYS 20 2.631 -2.176 8.534 120 HZ3 LYS 20 2HZ LYS 20 2.590 -3.078 9.964 121 H ALA 21 H ALA 21 -0.517 -6.941 5.364 122 HA ALA 21 HA ALA 21 -1.715 -6.945 2.711 123 HB1 ALA 21 3HB ALA 21 -2.464 -8.857 3.622 124 HB2 ALA 21 1HB ALA 21 -2.252 -8.275 5.273 125 HB3 ALA 21 2HB ALA 21 -3.686 -7.817 4.353 126 H PHE 22 H PHE 22 -3.304 -5.606 2.031 127 HA PHE 22 HA PHE 22 -4.446 -3.706 3.957 128 HB2 PHE 22 1HB PHE 22 -3.052 -3.075 1.368 129 HB3 PHE 22 2HB PHE 22 -4.271 -1.988 2.026 130 HD1 PHE 22 HD2 PHE 22 -0.933 -3.416 2.516 131 HD2 PHE 22 HD1 PHE 22 -3.838 -0.675 3.986 132 HE1 PHE 22 HE2 PHE 22 0.773 -2.387 3.959 133 HE2 PHE 22 HE1 PHE 22 -2.137 0.359 5.432 134 HZ PHE 22 HZ PHE 22 0.172 -0.498 5.421 135 H ASN 23 H ASN 23 -6.522 -2.959 3.477 136 HA ASN 23 HA ASN 23 -8.055 -4.732 1.779 137 HB2 ASN 23 1HB ASN 23 -9.015 -4.240 3.917 138 HB3 ASN 23 2HB ASN 23 -8.842 -2.506 3.663 139 HD21 ASN 23 1HD2 ASN 23 -10.393 -5.361 2.257 140 HD22 ASN 23 2HD2 ASN 23 -11.839 -4.549 1.771 141 H THR 24 H THR 24 -7.360 -1.260 1.976 142 HA THR 24 HA THR 24 -8.433 -0.963 -0.754 143 HB THR 24 HB THR 24 -8.721 1.430 -0.258 144 HG1 THR 24 HG1 THR 24 -7.595 0.639 2.213 145 HG21 THR 24 3HG2 THR 24 -10.365 0.944 1.821 146 HG22 THR 24 1HG2 THR 24 -10.092 -0.704 1.258 147 HG23 THR 24 2HG2 THR 24 -10.749 0.506 0.156 148 H LYS 25 H LYS 25 -7.203 -0.003 -2.321 149 HA LYS 25 HA LYS 25 -4.423 -0.205 -2.180 150 HB2 LYS 25 1HB LYS 25 -5.645 -0.228 -4.297 151 HB3 LYS 25 2HB LYS 25 -6.115 1.451 -4.062 152 HG2 LYS 25 1HG LYS 25 -4.352 1.612 -5.543 153 HG3 LYS 25 2HG LYS 25 -3.576 1.911 -3.986 154 HD2 LYS 25 1HD LYS 25 -2.481 -0.101 -3.992 155 HD3 LYS 25 2HD LYS 25 -3.711 -0.891 -4.980 156 HE2 LYS 25 1HE LYS 25 -2.027 -0.713 -6.515 157 HE3 LYS 25 2HE LYS 25 -2.856 0.817 -6.797 158 HZ1 LYS 25 3HZ LYS 25 -0.215 0.332 -5.792 159 HZ2 LYS 25 1HZ LYS 25 -1.092 1.403 -4.819 160 HZ3 LYS 25 2HZ LYS 25 -0.873 1.739 -6.462 161 H SER 26 H SER 26 -6.422 2.749 -2.187 162 HA SER 26 HA SER 26 -4.544 4.686 -1.945 163 HB2 SER 26 1HB SER 26 -6.189 5.997 -0.643 164 HB3 SER 26 2HB SER 26 -6.938 5.177 -2.012 165 HG SER 26 HG SER 26 -7.351 4.841 0.679 166 H ASN 27 H ASN 27 -5.863 2.784 0.756 167 HA ASN 27 HA ASN 27 -4.395 3.968 2.810 168 HB2 ASN 27 1HB ASN 27 -5.615 1.243 2.464 169 HB3 ASN 27 2HB ASN 27 -4.685 1.632 3.908 170 HD21 ASN 27 1HD2 ASN 27 -7.051 0.992 4.557 171 HD22 ASN 27 2HD2 ASN 27 -8.091 2.340 4.852 172 H LEU 28 H LEU 28 -3.600 1.181 0.764 173 HA LEU 28 HA LEU 28 -1.207 0.441 1.977 174 HB2 LEU 28 1HB LEU 28 -2.184 -0.993 0.359 175 HB3 LEU 28 2HB LEU 28 -2.135 0.261 -0.878 176 HG LEU 28 HG LEU 28 0.323 0.094 -0.919 177 HD11 LEU 28 1HD1 LEU 28 0.670 -2.420 0.343 178 HD12 LEU 28 2HD1 LEU 28 -0.091 -1.329 1.500 179 HD13 LEU 28 3HD1 LEU 28 1.431 -0.877 0.732 180 HD21 LEU 28 3HD2 LEU 28 -0.867 -2.641 -1.281 181 HD22 LEU 28 1HD2 LEU 28 0.420 -1.868 -2.207 182 HD23 LEU 28 2HD2 LEU 28 -1.242 -1.299 -2.364 183 H ILE 29 H ILE 29 -1.646 2.549 -0.867 184 HA ILE 29 HA ILE 29 0.973 3.281 -1.285 185 HB ILE 29 HB ILE 29 -1.450 5.061 -1.577 186 HG12 ILE 29 1HG1 ILE 29 -0.116 3.547 -3.799 187 HG13 ILE 29 2HG1 ILE 29 -1.304 2.746 -2.777 188 HG21 ILE 29 1HG2 ILE 29 1.311 5.254 -2.769 189 HG22 ILE 29 2HG2 ILE 29 -0.069 6.225 -3.277 190 HG23 ILE 29 3HG2 ILE 29 0.560 6.379 -1.637 191 HD11 ILE 29 3HD1 ILE 29 -2.969 4.406 -3.395 192 HD12 ILE 29 1HD1 ILE 29 -1.779 5.236 -4.398 193 HD13 ILE 29 2HD1 ILE 29 -2.305 3.605 -4.819 194 H VAL 30 H VAL 30 -1.374 4.783 0.916 195 HA VAL 30 HA VAL 30 0.287 6.862 1.825 196 HB VAL 30 HB VAL 30 -1.986 5.479 3.257 197 HG11 VAL 30 1HG1 VAL 30 -0.613 6.650 4.856 198 HG12 VAL 30 2HG1 VAL 30 -0.602 8.094 3.841 199 HG13 VAL 30 3HG1 VAL 30 -2.103 7.557 4.596 200 HG21 VAL 30 3HG2 VAL 30 -2.007 8.088 1.749 201 HG22 VAL 30 1HG2 VAL 30 -2.505 6.547 1.050 202 HG23 VAL 30 2HG2 VAL 30 -3.387 7.220 2.420 203 H HIS 31 H HIS 31 0.376 3.508 2.417 204 HA HIS 31 HA HIS 31 1.850 3.801 4.922 205 HB2 HIS 31 1HB HIS 31 0.340 2.023 5.094 206 HB3 HIS 31 2HB HIS 31 0.660 1.467 3.454 207 HD1 HIS 31 HD1 HIS 31 2.099 1.381 6.925 208 HD2 HIS 31 HD2 HIS 31 2.750 -0.334 3.197 209 HE1 HIS 31 HE1 HIS 31 3.764 -0.463 7.315 210 H GLN 32 H GLN 32 2.291 2.338 1.706 211 HA GLN 32 HA GLN 32 4.821 1.380 1.851 212 HB2 GLN 32 1HB GLN 32 3.332 2.759 -0.342 213 HB3 GLN 32 2HB GLN 32 5.029 2.367 -0.586 214 HG2 GLN 32 1HG GLN 32 4.593 0.030 -0.229 215 HG3 GLN 32 2HG GLN 32 2.914 0.372 0.186 216 HE21 GLN 32 1HE2 GLN 32 4.389 -1.150 -2.026 217 HE22 GLN 32 2HE2 GLN 32 3.596 -0.626 -3.469 218 H ARG 33 H ARG 33 3.910 4.774 1.441 219 HA ARG 33 HA ARG 33 6.373 5.913 0.966 220 HB2 ARG 33 1HB ARG 33 5.477 7.967 1.824 221 HB3 ARG 33 2HB ARG 33 4.178 7.108 1.008 222 HG2 ARG 33 1HG ARG 33 3.317 6.347 3.158 223 HG3 ARG 33 2HG ARG 33 4.629 7.189 3.984 224 HD2 ARG 33 1HD ARG 33 3.817 9.318 3.034 225 HD3 ARG 33 2HD ARG 33 2.472 8.450 2.295 226 HE ARG 33 HE ARG 33 1.454 8.307 4.359 227 HH11 ARG 33 1HH1 ARG 33 4.713 9.479 4.712 228 HH12 ARG 33 2HH1 ARG 33 4.507 9.937 6.370 229 HH21 ARG 33 1HH2 ARG 33 1.171 8.906 6.541 230 HH22 ARG 33 2HH2 ARG 33 2.492 9.610 7.410 231 H THR 34 H THR 34 4.983 4.884 4.041 232 HA THR 34 HA THR 34 6.658 5.977 5.885 233 HB THR 34 HB THR 34 6.306 4.030 7.301 234 HG1 THR 34 HG1 THR 34 6.643 2.385 5.756 235 HG21 THR 34 3HG2 THR 34 3.724 3.750 6.732 236 HG22 THR 34 1HG2 THR 34 4.064 5.127 5.686 237 HG23 THR 34 2HG2 THR 34 4.371 5.240 7.419 238 H HIS 35 H HIS 35 7.351 3.230 3.777 239 HA HIS 35 HA HIS 35 9.852 2.573 4.943 240 HB2 HIS 35 1HB HIS 35 8.789 2.018 2.165 241 HB3 HIS 35 2HB HIS 35 10.230 1.281 2.860 242 HD1 HIS 35 HD1 HIS 35 9.617 0.008 5.296 243 HD2 HIS 35 HD2 HIS 35 6.616 0.452 2.457 244 HE1 HIS 35 HE1 HIS 35 7.870 -1.699 5.893 245 H THR 36 H THR 36 9.173 4.098 1.787 246 HA THR 36 HA THR 36 11.846 4.989 1.435 247 HB THR 36 HB THR 36 10.219 4.597 -0.432 248 HG1 THR 36 HG1 THR 36 11.852 6.826 -0.118 249 HG21 THR 36 3HG2 THR 36 8.292 5.710 -0.570 250 HG22 THR 36 1HG2 THR 36 9.119 7.261 -0.439 251 HG23 THR 36 2HG2 THR 36 8.635 6.394 1.019 252 H GLY 37 H GLY 37 12.780 6.973 1.760 253 HA2 GLY 37 1HA GLY 37 11.449 9.361 2.359 254 HA3 GLY 37 2HA GLY 37 11.815 8.562 3.880 255 H GLU 38 H GLU 38 14.287 7.381 3.041 256 HA GLU 38 HA GLU 38 15.989 9.683 3.403 257 HB2 GLU 38 1HB GLU 38 16.464 6.714 3.329 258 HB3 GLU 38 2HB GLU 38 17.806 7.851 3.337 259 HG2 GLU 38 1HG GLU 38 16.655 8.842 5.422 260 HG3 GLU 38 2HG GLU 38 15.781 7.312 5.467 261 H LYS 39 H LYS 39 14.728 9.886 0.976 262 HA LYS 39 HA LYS 39 16.999 9.653 -0.862 263 HB2 LYS 39 1HB LYS 39 14.205 8.644 -1.318 264 HB3 LYS 39 2HB LYS 39 15.218 9.131 -2.671 265 HG2 LYS 39 1HG LYS 39 16.955 7.514 -1.639 266 HG3 LYS 39 2HG LYS 39 15.567 6.848 -0.776 267 HD2 LYS 39 1HD LYS 39 15.790 5.557 -2.743 268 HD3 LYS 39 2HD LYS 39 14.432 6.647 -3.032 269 HE2 LYS 39 1HE LYS 39 15.861 6.548 -4.989 270 HE3 LYS 39 2HE LYS 39 15.927 8.155 -4.268 271 HZ1 LYS 39 3HZ LYS 39 18.080 7.911 -3.704 272 HZ2 LYS 39 1HZ LYS 39 18.085 6.779 -4.962 273 HZ3 LYS 39 2HZ LYS 39 17.936 6.262 -3.359 274 HA PRO 40 HA PRO 40 16.033 13.854 -1.756 275 HB2 PRO 40 1HB PRO 40 17.254 14.074 -4.170 276 HB3 PRO 40 2HB PRO 40 18.146 13.994 -2.647 277 HG2 PRO 40 1HG PRO 40 17.594 11.825 -4.635 278 HG3 PRO 40 2HG PRO 40 19.097 12.193 -3.768 279 HD2 PRO 40 1HD PRO 40 17.423 10.206 -3.004 280 HD3 PRO 40 2HD PRO 40 18.394 11.136 -1.844 281 H SER 41 H SER 41 15.604 11.580 -4.468 282 HA SER 41 HA SER 41 13.426 13.231 -5.503 283 HB2 SER 41 1HB SER 41 15.178 12.396 -7.063 284 HB3 SER 41 2HB SER 41 14.673 10.746 -6.702 285 HG SER 41 HG SER 41 12.474 11.819 -7.346 286 H GLY 42 H GLY 42 14.005 9.786 -4.763 287 HA2 GLY 42 1HA GLY 42 12.397 8.696 -3.247 288 HA3 GLY 42 2HA GLY 42 11.134 9.578 -4.093 289 HA PRO 43 HA PRO 43 10.544 6.262 -6.890 290 HB2 PRO 43 1HB PRO 43 10.149 7.519 -9.263 291 HB3 PRO 43 2HB PRO 43 8.962 7.544 -7.954 292 HG2 PRO 43 1HG PRO 43 10.975 9.621 -8.725 293 HG3 PRO 43 2HG PRO 43 9.276 9.828 -8.259 294 HD2 PRO 43 1HD PRO 43 11.322 10.270 -6.541 295 HD3 PRO 43 2HD PRO 43 9.743 9.660 -6.008 296 H SER 44 H SER 44 11.207 5.568 -9.273 297 HA SER 44 HA SER 44 14.135 5.734 -9.345 298 HB2 SER 44 1HB SER 44 12.148 3.677 -10.236 299 HB3 SER 44 2HB SER 44 13.734 3.734 -11.005 300 HG SER 44 HG SER 44 14.671 3.144 -9.165 301 H SER 45 H SER 45 11.436 5.512 -11.670 302 HA SER 45 HA SER 45 13.068 6.953 -13.629 303 HB2 SER 45 1HB SER 45 12.130 4.963 -14.544 304 HB3 SER 45 2HB SER 45 10.538 5.322 -13.876 305 HG SER 45 HG SER 45 10.818 5.788 -16.167 306 H GLY 46 H GLY 46 12.117 8.694 -14.874 307 HA2 GLY 46 1HA GLY 46 9.761 9.980 -14.610 308 HA3 GLY 46 2HA GLY 46 10.624 10.493 -13.167 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -9.621 -33.277 7.090 2 HA2 GLY 1 1HA GLY 1 -6.963 -32.117 6.656 3 HA3 GLY 1 2HA GLY 1 -8.278 -31.035 7.091 4 H SER 2 H SER 2 -6.615 -33.981 8.180 5 HA SER 2 HA SER 2 -7.602 -33.896 10.825 6 HB2 SER 2 1HB SER 2 -6.622 -35.924 9.802 7 HB3 SER 2 2HB SER 2 -5.038 -35.149 9.810 8 HG SER 2 HG SER 2 -5.764 -36.616 11.658 9 H SER 3 H SER 3 -4.359 -33.064 9.589 10 HA SER 3 HA SER 3 -3.492 -31.880 12.006 11 HB2 SER 3 1HB SER 3 -2.079 -32.747 10.026 12 HB3 SER 3 2HB SER 3 -2.374 -31.167 9.302 13 HG SER 3 HG SER 3 -1.411 -30.220 11.132 14 H GLY 4 H GLY 4 -4.818 -30.519 9.011 15 HA2 GLY 4 1HA GLY 4 -6.289 -28.622 9.079 16 HA3 GLY 4 2HA GLY 4 -5.445 -28.069 10.518 17 H SER 5 H SER 5 -4.142 -29.146 7.398 18 HA SER 5 HA SER 5 -2.461 -26.793 7.291 19 HB2 SER 5 1HB SER 5 -1.603 -29.046 6.663 20 HB3 SER 5 2HB SER 5 -2.711 -29.053 5.291 21 HG SER 5 HG SER 5 -1.629 -27.126 4.572 22 H SER 6 H SER 6 -4.140 -25.209 7.052 23 HA SER 6 HA SER 6 -4.728 -24.664 4.283 24 HB2 SER 6 1HB SER 6 -6.840 -25.553 6.191 25 HB3 SER 6 2HB SER 6 -7.241 -24.252 5.071 26 HG SER 6 HG SER 6 -6.123 -25.925 3.532 27 H GLY 7 H GLY 7 -6.103 -22.554 4.167 28 HA2 GLY 7 1HA GLY 7 -5.762 -20.787 6.440 29 HA3 GLY 7 2HA GLY 7 -4.733 -20.422 5.063 30 H THR 8 H THR 8 -6.693 -18.678 6.125 31 HA THR 8 HA THR 8 -8.229 -18.205 3.716 32 HB THR 8 HB THR 8 -9.706 -19.683 5.071 33 HG1 THR 8 HG1 THR 8 -10.854 -17.105 5.070 34 HG21 THR 8 3HG2 THR 8 -10.169 -17.446 6.983 35 HG22 THR 8 1HG2 THR 8 -8.789 -18.509 7.255 36 HG23 THR 8 2HG2 THR 8 -10.419 -19.179 7.193 37 H GLY 9 H GLY 9 -8.271 -16.089 3.296 38 HA2 GLY 9 1HA GLY 9 -8.876 -13.856 4.222 39 HA3 GLY 9 2HA GLY 9 -7.786 -14.235 5.547 40 H GLU 10 H GLU 10 -7.875 -13.790 2.027 41 HA GLU 10 HA GLU 10 -5.072 -12.896 2.154 42 HB2 GLU 10 1HB GLU 10 -6.650 -14.343 0.086 43 HB3 GLU 10 2HB GLU 10 -5.406 -13.231 -0.468 44 HG2 GLU 10 1HG GLU 10 -4.554 -15.497 -0.315 45 HG3 GLU 10 2HG GLU 10 -3.734 -14.432 0.827 46 H LYS 11 H LYS 11 -4.534 -10.885 1.503 47 HA LYS 11 HA LYS 11 -6.734 -9.075 0.844 48 HB2 LYS 11 1HB LYS 11 -3.983 -8.716 1.970 49 HB3 LYS 11 2HB LYS 11 -4.777 -7.357 1.185 50 HG2 LYS 11 1HG LYS 11 -5.154 -7.245 3.553 51 HG3 LYS 11 2HG LYS 11 -6.677 -7.610 2.738 52 HD2 LYS 11 1HD LYS 11 -6.365 -9.994 3.274 53 HD3 LYS 11 2HD LYS 11 -4.875 -9.593 4.131 54 HE2 LYS 11 1HE LYS 11 -7.493 -8.311 4.846 55 HE3 LYS 11 2HE LYS 11 -7.030 -9.881 5.502 56 HZ1 LYS 11 3HZ LYS 11 -4.947 -8.785 6.289 57 HZ2 LYS 11 1HZ LYS 11 -6.358 -8.240 7.047 58 HZ3 LYS 11 2HZ LYS 11 -5.621 -7.296 5.853 59 HA PRO 12 HA PRO 12 -5.580 -8.753 -3.391 60 HB2 PRO 12 1HB PRO 12 -6.623 -6.307 -3.941 61 HB3 PRO 12 2HB PRO 12 -7.621 -7.748 -3.716 62 HG2 PRO 12 1HG PRO 12 -6.998 -5.555 -1.776 63 HG3 PRO 12 2HG PRO 12 -8.546 -6.359 -2.097 64 HD2 PRO 12 1HD PRO 12 -6.990 -6.988 0.029 65 HD3 PRO 12 2HD PRO 12 -8.011 -8.184 -0.795 66 H PHE 13 H PHE 13 -4.915 -5.971 -1.290 67 HA PHE 13 HA PHE 13 -2.588 -5.323 -2.970 68 HB2 PHE 13 1HB PHE 13 -3.815 -3.525 -0.883 69 HB3 PHE 13 2HB PHE 13 -2.712 -3.084 -2.183 70 HD1 PHE 13 HD1 PHE 13 -3.523 -3.083 -4.532 71 HD2 PHE 13 HD2 PHE 13 -6.148 -3.603 -1.223 72 HE1 PHE 13 HE1 PHE 13 -5.439 -2.517 -5.968 73 HE2 PHE 13 HE2 PHE 13 -8.069 -3.039 -2.653 74 HZ PHE 13 HZ PHE 13 -7.716 -2.496 -5.029 75 H GLU 14 H GLU 14 -0.592 -5.566 -2.182 76 HA GLU 14 HA GLU 14 -0.213 -5.766 0.718 77 HB2 GLU 14 1HB GLU 14 -0.419 -8.062 -0.158 78 HB3 GLU 14 2HB GLU 14 0.896 -7.745 -1.281 79 HG2 GLU 14 1HG GLU 14 2.464 -7.527 0.499 80 HG3 GLU 14 2HG GLU 14 1.181 -7.576 1.707 81 H CYS 15 H CYS 15 1.641 -4.867 1.460 82 HA CYS 15 HA CYS 15 3.017 -2.993 -0.044 83 HB2 CYS 15 1HB CYS 15 2.925 -3.486 2.559 84 HB3 CYS 15 2HB CYS 15 4.434 -4.329 2.220 85 H SER 16 H SER 16 5.443 -2.995 -0.406 86 HA SER 16 HA SER 16 6.171 -5.503 -1.758 87 HB2 SER 16 1HB SER 16 6.844 -2.622 -2.288 88 HB3 SER 16 2HB SER 16 7.869 -3.910 -2.920 89 HG SER 16 HG SER 16 6.397 -3.600 -4.487 90 H GLU 17 H GLU 17 7.161 -3.205 0.653 91 HA GLU 17 HA GLU 17 9.814 -4.359 0.911 92 HB2 GLU 17 1HB GLU 17 8.369 -2.103 2.277 93 HB3 GLU 17 2HB GLU 17 9.889 -2.724 2.907 94 HG2 GLU 17 1HG GLU 17 9.472 -1.607 0.144 95 HG3 GLU 17 2HG GLU 17 10.203 -0.751 1.500 96 H CYS 18 H CYS 18 7.240 -3.707 3.294 97 HA CYS 18 HA CYS 18 8.176 -5.888 4.947 98 HB2 CYS 18 1HB CYS 18 6.537 -5.133 6.558 99 HB3 CYS 18 2HB CYS 18 7.398 -3.735 5.923 100 H GLN 19 H GLN 19 5.946 -5.485 2.429 101 HA GLN 19 HA GLN 19 4.421 -6.865 1.460 102 HB2 GLN 19 1HB GLN 19 5.727 -8.902 3.270 103 HB3 GLN 19 2HB GLN 19 4.560 -9.299 2.016 104 HG2 GLN 19 1HG GLN 19 6.971 -7.734 1.264 105 HG3 GLN 19 2HG GLN 19 7.145 -9.458 1.588 106 HE21 GLN 19 1HE2 GLN 19 6.595 -7.229 -0.760 107 HE22 GLN 19 2HE2 GLN 19 5.831 -8.233 -1.940 108 H LYS 20 H LYS 20 3.571 -5.286 3.620 109 HA LYS 20 HA LYS 20 1.948 -6.854 5.396 110 HB2 LYS 20 1HB LYS 20 2.846 -4.702 6.119 111 HB3 LYS 20 2HB LYS 20 1.972 -3.883 4.831 112 HG2 LYS 20 1HG LYS 20 0.533 -3.487 6.530 113 HG3 LYS 20 2HG LYS 20 -0.096 -5.054 6.016 114 HD2 LYS 20 1HD LYS 20 2.090 -5.039 8.025 115 HD3 LYS 20 2HD LYS 20 0.489 -4.519 8.556 116 HE2 LYS 20 1HE LYS 20 0.753 -7.037 6.979 117 HE3 LYS 20 2HE LYS 20 1.201 -7.043 8.684 118 HZ1 LYS 20 3HZ LYS 20 -1.386 -7.060 7.510 119 HZ2 LYS 20 1HZ LYS 20 -1.222 -5.748 8.565 120 HZ3 LYS 20 2HZ LYS 20 -0.941 -7.320 9.121 121 H ALA 21 H ALA 21 -0.286 -7.076 5.393 122 HA ALA 21 HA ALA 21 -1.517 -6.881 2.763 123 HB1 ALA 21 3HB ALA 21 -3.388 -8.146 3.903 124 HB2 ALA 21 1HB ALA 21 -1.837 -8.978 3.797 125 HB3 ALA 21 2HB ALA 21 -2.339 -8.238 5.318 126 H PHE 22 H PHE 22 -3.252 -5.623 2.251 127 HA PHE 22 HA PHE 22 -4.368 -3.901 4.353 128 HB2 PHE 22 1HB PHE 22 -3.193 -3.055 1.716 129 HB3 PHE 22 2HB PHE 22 -4.405 -2.071 2.530 130 HD1 PHE 22 HD2 PHE 22 -0.972 -3.322 2.644 131 HD2 PHE 22 HD1 PHE 22 -3.890 -0.892 4.567 132 HE1 PHE 22 HE2 PHE 22 0.793 -2.298 4.020 133 HE2 PHE 22 HE1 PHE 22 -2.130 0.136 5.945 134 HZ PHE 22 HZ PHE 22 0.215 -0.567 5.674 135 H ASN 23 H ASN 23 -6.312 -2.621 3.346 136 HA ASN 23 HA ASN 23 -8.041 -4.641 2.132 137 HB2 ASN 23 1HB ASN 23 -8.575 -2.090 3.641 138 HB3 ASN 23 2HB ASN 23 -9.846 -2.907 2.737 139 HD21 ASN 23 1HD2 ASN 23 -7.981 -2.851 5.588 140 HD22 ASN 23 2HD2 ASN 23 -8.673 -4.242 6.344 141 H THR 24 H THR 24 -7.384 -1.155 1.766 142 HA THR 24 HA THR 24 -8.194 -1.393 -1.058 143 HB THR 24 HB THR 24 -8.627 1.037 -1.004 144 HG1 THR 24 HG1 THR 24 -7.726 0.710 1.650 145 HG21 THR 24 3HG2 THR 24 -10.111 -0.995 0.404 146 HG22 THR 24 1HG2 THR 24 -10.704 0.340 -0.583 147 HG23 THR 24 2HG2 THR 24 -10.380 0.588 1.133 148 H LYS 25 H LYS 25 -7.028 -0.068 -2.606 149 HA LYS 25 HA LYS 25 -4.221 -0.314 -2.329 150 HB2 LYS 25 1HB LYS 25 -5.204 -0.474 -4.515 151 HB3 LYS 25 2HB LYS 25 -5.926 1.122 -4.366 152 HG2 LYS 25 1HG LYS 25 -3.934 2.210 -4.739 153 HG3 LYS 25 2HG LYS 25 -2.962 0.834 -4.209 154 HD2 LYS 25 1HD LYS 25 -2.653 0.753 -6.490 155 HD3 LYS 25 2HD LYS 25 -4.024 -0.340 -6.291 156 HE2 LYS 25 1HE LYS 25 -5.521 1.623 -6.761 157 HE3 LYS 25 2HE LYS 25 -4.074 2.536 -7.187 158 HZ1 LYS 25 3HZ LYS 25 -3.634 1.076 -8.980 159 HZ2 LYS 25 1HZ LYS 25 -5.270 1.492 -9.094 160 HZ3 LYS 25 2HZ LYS 25 -4.823 -0.022 -8.487 161 H SER 26 H SER 26 -6.325 2.558 -2.486 162 HA SER 26 HA SER 26 -4.512 4.570 -2.252 163 HB2 SER 26 1HB SER 26 -7.292 4.221 -1.222 164 HB3 SER 26 2HB SER 26 -6.374 5.625 -0.677 165 HG SER 26 HG SER 26 -7.358 6.280 -2.513 166 H ASN 27 H ASN 27 -5.934 2.778 0.478 167 HA ASN 27 HA ASN 27 -4.541 4.065 2.524 168 HB2 ASN 27 1HB ASN 27 -5.914 1.436 2.239 169 HB3 ASN 27 2HB ASN 27 -4.855 1.658 3.628 170 HD21 ASN 27 1HD2 ASN 27 -7.398 3.401 1.870 171 HD22 ASN 27 2HD2 ASN 27 -8.205 3.989 3.279 172 H LEU 28 H LEU 28 -3.673 1.218 0.607 173 HA LEU 28 HA LEU 28 -1.346 0.498 1.971 174 HB2 LEU 28 1HB LEU 28 -2.202 -1.025 0.400 175 HB3 LEU 28 2HB LEU 28 -2.215 0.181 -0.884 176 HG LEU 28 HG LEU 28 0.263 0.122 -0.904 177 HD11 LEU 28 1HD1 LEU 28 0.586 -2.400 0.420 178 HD12 LEU 28 2HD1 LEU 28 -0.078 -1.210 1.539 179 HD13 LEU 28 3HD1 LEU 28 1.433 -0.877 0.691 180 HD21 LEU 28 3HD2 LEU 28 -0.630 -2.696 -1.256 181 HD22 LEU 28 1HD2 LEU 28 0.352 -1.679 -2.312 182 HD23 LEU 28 2HD2 LEU 28 -1.393 -1.436 -2.228 183 H ILE 29 H ILE 29 -1.732 2.620 -0.860 184 HA ILE 29 HA ILE 29 0.901 3.277 -1.321 185 HB ILE 29 HB ILE 29 -1.483 5.122 -1.524 186 HG12 ILE 29 1HG1 ILE 29 -0.179 3.598 -3.769 187 HG13 ILE 29 2HG1 ILE 29 -1.456 2.875 -2.797 188 HG21 ILE 29 1HG2 ILE 29 1.364 5.407 -2.288 189 HG22 ILE 29 2HG2 ILE 29 0.159 6.002 -3.428 190 HG23 ILE 29 3HG2 ILE 29 0.197 6.628 -1.780 191 HD11 ILE 29 3HD1 ILE 29 -2.759 5.043 -3.406 192 HD12 ILE 29 1HD1 ILE 29 -1.594 5.137 -4.726 193 HD13 ILE 29 2HD1 ILE 29 -2.636 3.722 -4.567 194 H VAL 30 H VAL 30 -1.361 4.889 0.903 195 HA VAL 30 HA VAL 30 0.347 6.881 1.835 196 HB VAL 30 HB VAL 30 -1.844 5.449 3.344 197 HG11 VAL 30 1HG1 VAL 30 -0.220 6.694 4.777 198 HG12 VAL 30 2HG1 VAL 30 -0.665 8.164 3.907 199 HG13 VAL 30 3HG1 VAL 30 -1.874 7.300 4.856 200 HG21 VAL 30 3HG2 VAL 30 -3.038 6.401 1.666 201 HG22 VAL 30 1HG2 VAL 30 -2.898 7.821 2.703 202 HG23 VAL 30 2HG2 VAL 30 -1.806 7.619 1.332 203 H HIS 31 H HIS 31 0.174 3.493 2.632 204 HA HIS 31 HA HIS 31 1.831 3.720 4.980 205 HB2 HIS 31 1HB HIS 31 0.346 1.914 5.094 206 HB3 HIS 31 2HB HIS 31 0.664 1.424 3.433 207 HD1 HIS 31 HD1 HIS 31 2.180 1.280 6.877 208 HD2 HIS 31 HD2 HIS 31 2.732 -0.373 3.106 209 HE1 HIS 31 HE1 HIS 31 3.866 -0.559 7.189 210 H GLN 32 H GLN 32 2.254 2.297 1.738 211 HA GLN 32 HA GLN 32 4.772 1.385 1.767 212 HB2 GLN 32 1HB GLN 32 3.404 3.050 -0.333 213 HB3 GLN 32 2HB GLN 32 5.015 2.392 -0.588 214 HG2 GLN 32 1HG GLN 32 4.138 0.133 -0.232 215 HG3 GLN 32 2HG GLN 32 2.523 0.805 -0.013 216 HE21 GLN 32 1HE2 GLN 32 3.178 -1.108 -1.947 217 HE22 GLN 32 2HE2 GLN 32 2.973 -0.399 -3.508 218 H ARG 33 H ARG 33 3.893 4.810 1.613 219 HA ARG 33 HA ARG 33 6.383 5.940 1.227 220 HB2 ARG 33 1HB ARG 33 4.563 7.232 3.200 221 HB3 ARG 33 2HB ARG 33 5.436 7.940 1.848 222 HG2 ARG 33 1HG ARG 33 3.767 6.479 0.435 223 HG3 ARG 33 2HG ARG 33 2.793 6.588 1.903 224 HD2 ARG 33 1HD ARG 33 2.864 9.001 1.817 225 HD3 ARG 33 2HD ARG 33 3.955 8.950 0.433 226 HE ARG 33 HE ARG 33 1.834 7.604 -0.492 227 HH11 ARG 33 1HH1 ARG 33 2.093 10.642 1.188 228 HH12 ARG 33 2HH1 ARG 33 0.690 11.326 0.436 229 HH21 ARG 33 1HH2 ARG 33 -0.014 8.493 -1.489 230 HH22 ARG 33 2HH2 ARG 33 -0.509 10.102 -1.086 231 H THR 34 H THR 34 4.869 4.949 4.278 232 HA THR 34 HA THR 34 6.612 5.858 6.146 233 HB THR 34 HB THR 34 4.571 4.334 6.476 234 HG1 THR 34 HG1 THR 34 5.248 4.071 8.511 235 HG21 THR 34 3HG2 THR 34 4.764 2.061 6.371 236 HG22 THR 34 1HG2 THR 34 6.491 2.081 6.724 237 HG23 THR 34 2HG2 THR 34 5.917 2.492 5.108 238 H HIS 35 H HIS 35 7.279 3.542 3.682 239 HA HIS 35 HA HIS 35 9.671 2.526 4.964 240 HB2 HIS 35 1HB HIS 35 8.437 2.053 2.249 241 HB3 HIS 35 2HB HIS 35 9.967 1.337 2.746 242 HD1 HIS 35 HD1 HIS 35 9.705 -0.084 5.136 243 HD2 HIS 35 HD2 HIS 35 6.326 0.460 2.782 244 HE1 HIS 35 HE1 HIS 35 8.077 -1.851 5.879 245 H THR 36 H THR 36 10.237 5.003 5.048 246 HA THR 36 HA THR 36 11.880 5.610 2.675 247 HB THR 36 HB THR 36 11.716 8.037 3.611 248 HG1 THR 36 HG1 THR 36 9.454 6.765 4.789 249 HG21 THR 36 3HG2 THR 36 9.303 8.118 2.476 250 HG22 THR 36 1HG2 THR 36 9.773 6.493 1.983 251 HG23 THR 36 2HG2 THR 36 10.777 7.874 1.540 252 H GLY 37 H GLY 37 11.651 5.967 6.205 253 HA2 GLY 37 1HA GLY 37 14.311 6.887 6.560 254 HA3 GLY 37 2HA GLY 37 13.275 6.216 7.812 255 H GLU 38 H GLU 38 15.724 5.550 8.218 256 HA GLU 38 HA GLU 38 15.862 2.740 7.430 257 HB2 GLU 38 1HB GLU 38 18.241 2.884 6.901 258 HB3 GLU 38 2HB GLU 38 17.303 3.923 5.838 259 HG2 GLU 38 1HG GLU 38 18.544 5.040 8.312 260 HG3 GLU 38 2HG GLU 38 19.513 4.792 6.861 261 H LYS 39 H LYS 39 17.551 1.561 8.735 262 HA LYS 39 HA LYS 39 17.404 2.509 11.502 263 HB2 LYS 39 1HB LYS 39 17.624 -0.160 10.203 264 HB3 LYS 39 2HB LYS 39 18.351 0.031 11.792 265 HG2 LYS 39 1HG LYS 39 16.220 0.734 12.711 266 HG3 LYS 39 2HG LYS 39 15.477 0.624 11.114 267 HD2 LYS 39 1HD LYS 39 16.163 -1.811 11.105 268 HD3 LYS 39 2HD LYS 39 16.566 -1.612 12.813 269 HE2 LYS 39 1HE LYS 39 14.412 -2.354 13.000 270 HE3 LYS 39 2HE LYS 39 14.126 -0.616 12.916 271 HZ1 LYS 39 3HZ LYS 39 13.390 -2.683 11.061 272 HZ2 LYS 39 1HZ LYS 39 14.139 -1.361 10.316 273 HZ3 LYS 39 2HZ LYS 39 12.752 -1.128 11.256 274 HA PRO 40 HA PRO 40 21.697 3.318 11.913 275 HB2 PRO 40 1HB PRO 40 22.252 2.327 14.379 276 HB3 PRO 40 2HB PRO 40 21.303 3.796 14.125 277 HG2 PRO 40 1HG PRO 40 20.367 1.010 14.696 278 HG3 PRO 40 2HG PRO 40 19.790 2.545 15.372 279 HD2 PRO 40 1HD PRO 40 18.484 1.243 13.388 280 HD3 PRO 40 2HD PRO 40 18.491 3.013 13.526 281 H SER 41 H SER 41 22.250 1.779 10.187 282 HA SER 41 HA SER 41 23.513 -0.671 11.232 283 HB2 SER 41 1HB SER 41 23.250 -1.629 8.990 284 HB3 SER 41 2HB SER 41 21.691 -1.111 9.629 285 HG SER 41 HG SER 41 21.746 -0.309 7.602 286 H GLY 42 H GLY 42 25.305 -1.406 9.542 287 HA2 GLY 42 1HA GLY 42 27.423 0.428 9.797 288 HA3 GLY 42 2HA GLY 42 27.443 -1.022 8.803 289 HA PRO 43 HA PRO 43 27.801 2.596 5.960 290 HB2 PRO 43 1HB PRO 43 29.691 1.451 4.382 291 HB3 PRO 43 2HB PRO 43 30.083 2.342 5.858 292 HG2 PRO 43 1HG PRO 43 29.866 -0.613 5.431 293 HG3 PRO 43 2HG PRO 43 31.085 0.300 6.340 294 HD2 PRO 43 1HD PRO 43 29.025 -0.979 7.545 295 HD3 PRO 43 2HD PRO 43 29.724 0.521 8.187 296 H SER 44 H SER 44 28.188 2.127 3.333 297 HA SER 44 HA SER 44 27.152 1.478 1.415 298 HB2 SER 44 1HB SER 44 26.844 -1.016 3.075 299 HB3 SER 44 2HB SER 44 26.182 -0.913 1.444 300 HG SER 44 HG SER 44 28.325 -1.786 1.522 301 H SER 45 H SER 45 25.705 3.173 2.977 302 HA SER 45 HA SER 45 22.980 2.110 3.085 303 HB2 SER 45 1HB SER 45 23.878 3.360 5.048 304 HB3 SER 45 2HB SER 45 24.007 4.796 4.032 305 HG SER 45 HG SER 45 22.061 4.916 5.078 306 H GLY 46 H GLY 46 22.567 2.032 0.844 307 HA2 GLY 46 1HA GLY 46 22.962 4.099 -0.985 308 HA3 GLY 46 2HA GLY 46 21.729 2.855 -1.127 Start of MODEL 4 1 H1 GLY 1 H GLY 1 9.843 -24.600 7.090 2 HA2 GLY 1 1HA GLY 1 10.430 -27.114 6.022 3 HA3 GLY 1 2HA GLY 1 10.553 -27.247 7.770 4 H SER 2 H SER 2 8.662 -26.677 9.047 5 HA SER 2 HA SER 2 6.290 -27.795 7.926 6 HB2 SER 2 1HB SER 2 6.590 -26.326 10.555 7 HB3 SER 2 2HB SER 2 5.307 -27.451 10.112 8 HG SER 2 HG SER 2 7.468 -28.075 11.342 9 H SER 3 H SER 3 4.308 -26.810 7.515 10 HA SER 3 HA SER 3 4.163 -24.551 6.076 11 HB2 SER 3 1HB SER 3 1.765 -24.325 6.844 12 HB3 SER 3 2HB SER 3 2.216 -25.933 6.279 13 HG SER 3 HG SER 3 1.974 -26.702 8.239 14 H GLY 4 H GLY 4 3.561 -22.355 6.431 15 HA2 GLY 4 1HA GLY 4 4.630 -21.320 8.957 16 HA3 GLY 4 2HA GLY 4 4.407 -20.401 7.475 17 H SER 5 H SER 5 3.105 -18.769 8.050 18 HA SER 5 HA SER 5 1.050 -18.967 9.987 19 HB2 SER 5 1HB SER 5 0.370 -16.726 9.175 20 HB3 SER 5 2HB SER 5 2.105 -16.827 9.475 21 HG SER 5 HG SER 5 2.488 -16.848 7.327 22 H SER 6 H SER 6 -1.222 -18.863 9.701 23 HA SER 6 HA SER 6 -2.361 -19.313 7.088 24 HB2 SER 6 1HB SER 6 -1.662 -21.584 7.637 25 HB3 SER 6 2HB SER 6 -2.477 -21.482 9.198 26 HG SER 6 HG SER 6 -4.361 -20.914 7.610 27 H GLY 7 H GLY 7 -4.590 -18.972 7.020 28 HA2 GLY 7 1HA GLY 7 -6.661 -18.912 8.479 29 HA3 GLY 7 2HA GLY 7 -5.709 -17.857 9.514 30 H THR 8 H THR 8 -4.771 -15.898 8.338 31 HA THR 8 HA THR 8 -6.761 -14.207 7.526 32 HB THR 8 HB THR 8 -5.005 -12.789 6.491 33 HG1 THR 8 HG1 THR 8 -2.832 -13.606 6.597 34 HG21 THR 8 3HG2 THR 8 -4.028 -12.199 8.499 35 HG22 THR 8 1HG2 THR 8 -3.825 -13.873 9.014 36 HG23 THR 8 2HG2 THR 8 -5.422 -13.126 9.054 37 H GLY 9 H GLY 9 -6.980 -13.109 5.352 38 HA2 GLY 9 1HA GLY 9 -7.154 -15.198 3.280 39 HA3 GLY 9 2HA GLY 9 -8.179 -13.773 3.368 40 H GLU 10 H GLU 10 -6.799 -14.583 1.051 41 HA GLU 10 HA GLU 10 -4.372 -13.132 0.730 42 HB2 GLU 10 1HB GLU 10 -4.995 -15.080 -0.668 43 HB3 GLU 10 2HB GLU 10 -6.286 -14.128 -1.388 44 HG2 GLU 10 1HG GLU 10 -4.563 -14.029 -2.943 45 HG3 GLU 10 2HG GLU 10 -4.457 -12.493 -2.086 46 H LYS 11 H LYS 11 -4.433 -10.988 1.077 47 HA LYS 11 HA LYS 11 -6.645 -9.340 0.329 48 HB2 LYS 11 1HB LYS 11 -3.840 -8.603 1.185 49 HB3 LYS 11 2HB LYS 11 -5.170 -7.466 1.011 50 HG2 LYS 11 1HG LYS 11 -5.263 -9.822 2.875 51 HG3 LYS 11 2HG LYS 11 -4.668 -8.230 3.353 52 HD2 LYS 11 1HD LYS 11 -6.872 -7.290 2.598 53 HD3 LYS 11 2HD LYS 11 -7.436 -8.951 2.402 54 HE2 LYS 11 1HE LYS 11 -7.193 -9.396 4.722 55 HE3 LYS 11 2HE LYS 11 -6.302 -7.898 4.984 56 HZ1 LYS 11 3HZ LYS 11 -9.086 -7.871 3.996 57 HZ2 LYS 11 1HZ LYS 11 -8.219 -6.628 4.750 58 HZ3 LYS 11 2HZ LYS 11 -8.744 -7.959 5.651 59 HA PRO 12 HA PRO 12 -5.612 -8.443 -3.851 60 HB2 PRO 12 1HB PRO 12 -6.781 -6.005 -4.096 61 HB3 PRO 12 2HB PRO 12 -7.705 -7.510 -4.018 62 HG2 PRO 12 1HG PRO 12 -7.134 -5.522 -1.853 63 HG3 PRO 12 2HG PRO 12 -8.651 -6.359 -2.232 64 HD2 PRO 12 1HD PRO 12 -7.014 -7.147 -0.224 65 HD3 PRO 12 2HD PRO 12 -7.998 -8.292 -1.158 66 H PHE 13 H PHE 13 -4.728 -6.259 -1.278 67 HA PHE 13 HA PHE 13 -2.573 -5.188 -2.979 68 HB2 PHE 13 1HB PHE 13 -3.950 -3.735 -0.712 69 HB3 PHE 13 2HB PHE 13 -2.697 -3.087 -1.766 70 HD1 PHE 13 HD1 PHE 13 -3.197 -2.641 -4.147 71 HD2 PHE 13 HD2 PHE 13 -6.222 -3.778 -1.376 72 HE1 PHE 13 HE1 PHE 13 -4.923 -1.826 -5.701 73 HE2 PHE 13 HE2 PHE 13 -7.952 -2.967 -2.926 74 HZ PHE 13 HZ PHE 13 -7.303 -1.990 -5.092 75 H GLU 14 H GLU 14 -0.569 -5.548 -2.282 76 HA GLU 14 HA GLU 14 -0.096 -6.005 0.572 77 HB2 GLU 14 1HB GLU 14 -0.401 -8.206 -0.631 78 HB3 GLU 14 2HB GLU 14 1.045 -7.820 -1.553 79 HG2 GLU 14 1HG GLU 14 2.168 -7.548 0.751 80 HG3 GLU 14 2HG GLU 14 0.778 -8.448 1.356 81 H CYS 15 H CYS 15 1.742 -5.110 1.310 82 HA CYS 15 HA CYS 15 3.153 -3.249 -0.225 83 HB2 CYS 15 1HB CYS 15 2.941 -3.601 2.387 84 HB3 CYS 15 2HB CYS 15 4.445 -4.491 2.167 85 H SER 16 H SER 16 5.689 -3.345 -0.250 86 HA SER 16 HA SER 16 6.446 -5.917 -1.475 87 HB2 SER 16 1HB SER 16 6.284 -4.046 -3.096 88 HB3 SER 16 2HB SER 16 7.495 -3.162 -2.169 89 HG SER 16 HG SER 16 8.896 -4.204 -3.324 90 H GLU 17 H GLU 17 7.331 -3.369 0.723 91 HA GLU 17 HA GLU 17 9.992 -4.422 1.171 92 HB2 GLU 17 1HB GLU 17 8.427 -2.106 2.258 93 HB3 GLU 17 2HB GLU 17 9.892 -2.641 3.069 94 HG2 GLU 17 1HG GLU 17 9.914 -2.051 0.141 95 HG3 GLU 17 2HG GLU 17 10.027 -0.748 1.322 96 H CYS 18 H CYS 18 7.170 -3.827 3.274 97 HA CYS 18 HA CYS 18 8.159 -5.853 5.129 98 HB2 CYS 18 1HB CYS 18 6.508 -4.997 6.685 99 HB3 CYS 18 2HB CYS 18 7.419 -3.653 6.005 100 H GLN 19 H GLN 19 5.989 -5.568 2.559 101 HA GLN 19 HA GLN 19 4.395 -6.930 1.678 102 HB2 GLN 19 1HB GLN 19 6.021 -8.808 3.346 103 HB3 GLN 19 2HB GLN 19 4.546 -9.389 2.586 104 HG2 GLN 19 1HG GLN 19 5.382 -9.128 0.451 105 HG3 GLN 19 2HG GLN 19 6.595 -7.953 0.960 106 HE21 GLN 19 1HE2 GLN 19 8.472 -8.838 0.418 107 HE22 GLN 19 2HE2 GLN 19 9.005 -10.417 0.872 108 H LYS 20 H LYS 20 3.269 -5.328 3.412 109 HA LYS 20 HA LYS 20 1.818 -6.844 5.429 110 HB2 LYS 20 1HB LYS 20 2.740 -4.495 5.788 111 HB3 LYS 20 2HB LYS 20 1.451 -3.932 4.733 112 HG2 LYS 20 1HG LYS 20 0.432 -3.651 6.739 113 HG3 LYS 20 2HG LYS 20 -0.041 -5.322 6.420 114 HD2 LYS 20 1HD LYS 20 2.037 -6.003 7.707 115 HD3 LYS 20 2HD LYS 20 2.156 -4.318 8.217 116 HE2 LYS 20 1HE LYS 20 1.008 -5.508 9.933 117 HE3 LYS 20 2HE LYS 20 -0.179 -4.508 9.096 118 HZ1 LYS 20 3HZ LYS 20 -0.653 -6.580 7.734 119 HZ2 LYS 20 1HZ LYS 20 -1.193 -6.580 9.338 120 HZ3 LYS 20 2HZ LYS 20 0.204 -7.434 8.917 121 H ALA 21 H ALA 21 -0.420 -7.105 5.464 122 HA ALA 21 HA ALA 21 -1.660 -7.121 2.828 123 HB1 ALA 21 3HB ALA 21 -2.724 -8.938 3.540 124 HB2 ALA 21 1HB ALA 21 -1.755 -8.847 5.010 125 HB3 ALA 21 2HB ALA 21 -3.349 -8.094 4.957 126 H PHE 22 H PHE 22 -3.045 -5.620 2.167 127 HA PHE 22 HA PHE 22 -4.355 -3.931 4.195 128 HB2 PHE 22 1HB PHE 22 -3.178 -3.198 1.521 129 HB3 PHE 22 2HB PHE 22 -4.364 -2.174 2.322 130 HD1 PHE 22 HD1 PHE 22 -3.812 -1.008 4.385 131 HD2 PHE 22 HD2 PHE 22 -0.933 -3.391 2.348 132 HE1 PHE 22 HE1 PHE 22 -2.017 0.042 5.700 133 HE2 PHE 22 HE2 PHE 22 0.866 -2.346 3.660 134 HZ PHE 22 HZ PHE 22 0.326 -0.627 5.339 135 H ASN 23 H ASN 23 -6.295 -2.720 3.115 136 HA ASN 23 HA ASN 23 -7.942 -4.790 1.843 137 HB2 ASN 23 1HB ASN 23 -9.833 -3.178 2.562 138 HB3 ASN 23 2HB ASN 23 -9.014 -4.111 3.811 139 HD21 ASN 23 1HD2 ASN 23 -9.951 -1.060 2.804 140 HD22 ASN 23 2HD2 ASN 23 -9.040 -0.123 3.934 141 H THR 24 H THR 24 -7.225 -1.316 1.657 142 HA THR 24 HA THR 24 -8.126 -1.372 -1.150 143 HB THR 24 HB THR 24 -8.539 1.099 -0.883 144 HG1 THR 24 HG1 THR 24 -8.976 1.487 1.549 145 HG21 THR 24 3HG2 THR 24 -10.153 -1.077 -0.238 146 HG22 THR 24 1HG2 THR 24 -10.688 0.568 -0.581 147 HG23 THR 24 2HG2 THR 24 -10.396 0.065 1.084 148 H LYS 25 H LYS 25 -7.032 0.178 -2.579 149 HA LYS 25 HA LYS 25 -4.217 -0.037 -2.370 150 HB2 LYS 25 1HB LYS 25 -5.785 0.233 -4.462 151 HB3 LYS 25 2HB LYS 25 -5.518 1.950 -4.192 152 HG2 LYS 25 1HG LYS 25 -3.107 1.607 -4.380 153 HG3 LYS 25 2HG LYS 25 -3.375 -0.117 -4.652 154 HD2 LYS 25 1HD LYS 25 -4.562 0.344 -6.700 155 HD3 LYS 25 2HD LYS 25 -4.475 2.082 -6.401 156 HE2 LYS 25 1HE LYS 25 -1.953 1.811 -6.424 157 HE3 LYS 25 2HE LYS 25 -2.230 0.190 -7.059 158 HZ1 LYS 25 3HZ LYS 25 -3.468 1.213 -8.905 159 HZ2 LYS 25 1HZ LYS 25 -1.849 1.702 -8.862 160 HZ3 LYS 25 2HZ LYS 25 -3.062 2.747 -8.318 161 H SER 26 H SER 26 -6.327 2.840 -2.311 162 HA SER 26 HA SER 26 -4.541 4.818 -1.836 163 HB2 SER 26 1HB SER 26 -7.157 4.541 -0.339 164 HB3 SER 26 2HB SER 26 -6.291 6.040 -0.677 165 HG SER 26 HG SER 26 -6.567 5.093 -3.002 166 H ASN 27 H ASN 27 -6.008 2.796 0.705 167 HA ASN 27 HA ASN 27 -4.711 3.867 2.900 168 HB2 ASN 27 1HB ASN 27 -5.843 1.171 2.276 169 HB3 ASN 27 2HB ASN 27 -4.895 1.369 3.747 170 HD21 ASN 27 1HD2 ASN 27 -7.407 0.636 4.085 171 HD22 ASN 27 2HD2 ASN 27 -8.383 1.941 4.661 172 H LEU 28 H LEU 28 -3.667 1.101 0.910 173 HA LEU 28 HA LEU 28 -1.265 0.585 2.223 174 HB2 LEU 28 1HB LEU 28 -2.006 -1.033 0.708 175 HB3 LEU 28 2HB LEU 28 -2.197 0.143 -0.591 176 HG LEU 28 HG LEU 28 0.267 0.321 -0.740 177 HD11 LEU 28 1HD1 LEU 28 0.216 -1.920 1.275 178 HD12 LEU 28 2HD1 LEU 28 0.853 -0.296 1.526 179 HD13 LEU 28 3HD1 LEU 28 1.638 -1.383 0.381 180 HD21 LEU 28 3HD2 LEU 28 -1.037 -1.225 -2.167 181 HD22 LEU 28 1HD2 LEU 28 -0.740 -2.509 -0.995 182 HD23 LEU 28 2HD2 LEU 28 0.610 -1.781 -1.865 183 H ILE 29 H ILE 29 -1.777 2.513 -0.735 184 HA ILE 29 HA ILE 29 0.742 3.378 -1.260 185 HB ILE 29 HB ILE 29 -1.760 5.067 -1.352 186 HG12 ILE 29 1HG1 ILE 29 -0.412 3.643 -3.640 187 HG13 ILE 29 2HG1 ILE 29 -1.643 2.858 -2.656 188 HG21 ILE 29 1HG2 ILE 29 -0.324 6.160 -3.254 189 HG22 ILE 29 2HG2 ILE 29 -0.129 6.663 -1.576 190 HG23 ILE 29 3HG2 ILE 29 1.023 5.541 -2.300 191 HD11 ILE 29 3HD1 ILE 29 -2.139 5.480 -4.018 192 HD12 ILE 29 1HD1 ILE 29 -2.387 3.935 -4.830 193 HD13 ILE 29 2HD1 ILE 29 -3.311 4.327 -3.380 194 H VAL 30 H VAL 30 -1.505 4.942 1.021 195 HA VAL 30 HA VAL 30 0.178 6.983 1.887 196 HB VAL 30 HB VAL 30 -1.946 5.517 3.458 197 HG11 VAL 30 1HG1 VAL 30 -0.895 8.281 4.001 198 HG12 VAL 30 2HG1 VAL 30 -1.940 7.286 5.017 199 HG13 VAL 30 3HG1 VAL 30 -0.247 6.846 4.795 200 HG21 VAL 30 3HG2 VAL 30 -2.918 6.475 1.512 201 HG22 VAL 30 1HG2 VAL 30 -3.299 7.551 2.857 202 HG23 VAL 30 2HG2 VAL 30 -2.018 7.977 1.722 203 H HIS 31 H HIS 31 0.086 3.604 2.758 204 HA HIS 31 HA HIS 31 1.820 3.912 5.041 205 HB2 HIS 31 1HB HIS 31 0.422 2.081 5.310 206 HB3 HIS 31 2HB HIS 31 0.556 1.599 3.621 207 HD1 HIS 31 HD1 HIS 31 2.446 1.439 6.877 208 HD2 HIS 31 HD2 HIS 31 2.556 -0.217 3.069 209 HE1 HIS 31 HE1 HIS 31 4.144 -0.412 6.998 210 H GLN 32 H GLN 32 2.158 2.300 1.875 211 HA GLN 32 HA GLN 32 4.702 1.478 1.858 212 HB2 GLN 32 1HB GLN 32 3.067 2.819 -0.247 213 HB3 GLN 32 2HB GLN 32 4.767 2.514 -0.579 214 HG2 GLN 32 1HG GLN 32 4.389 0.123 -0.048 215 HG3 GLN 32 2HG GLN 32 2.670 0.475 0.121 216 HE21 GLN 32 1HE2 GLN 32 3.893 -1.338 -1.723 217 HE22 GLN 32 2HE2 GLN 32 3.515 -0.779 -3.314 218 H ARG 33 H ARG 33 3.745 4.857 1.305 219 HA ARG 33 HA ARG 33 6.071 6.094 0.752 220 HB2 ARG 33 1HB ARG 33 4.489 7.310 2.967 221 HB3 ARG 33 2HB ARG 33 5.133 8.053 1.509 222 HG2 ARG 33 1HG ARG 33 3.345 6.471 0.361 223 HG3 ARG 33 2HG ARG 33 2.577 6.622 1.943 224 HD2 ARG 33 1HD ARG 33 1.723 8.338 0.490 225 HD3 ARG 33 2HD ARG 33 2.728 9.084 1.731 226 HE ARG 33 HE ARG 33 4.480 8.792 -0.260 227 HH11 ARG 33 1HH1 ARG 33 1.222 10.020 -0.239 228 HH12 ARG 33 2HH1 ARG 33 1.487 11.112 -1.558 229 HH21 ARG 33 1HH2 ARG 33 4.840 10.225 -1.997 230 HH22 ARG 33 2HH2 ARG 33 3.545 11.228 -2.557 231 H THR 34 H THR 34 5.057 5.086 4.002 232 HA THR 34 HA THR 34 7.018 6.085 5.585 233 HB THR 34 HB THR 34 6.784 4.147 7.045 234 HG1 THR 34 HG1 THR 34 5.083 2.838 5.250 235 HG21 THR 34 3HG2 THR 34 4.970 5.709 7.142 236 HG22 THR 34 1HG2 THR 34 4.284 4.086 7.203 237 HG23 THR 34 2HG2 THR 34 4.224 5.012 5.704 238 H HIS 35 H HIS 35 7.290 3.237 3.497 239 HA HIS 35 HA HIS 35 9.945 2.588 4.293 240 HB2 HIS 35 1HB HIS 35 8.425 1.824 1.791 241 HB3 HIS 35 2HB HIS 35 9.933 1.091 2.328 242 HD1 HIS 35 HD1 HIS 35 9.675 0.062 4.930 243 HD2 HIS 35 HD2 HIS 35 6.272 0.402 2.570 244 HE1 HIS 35 HE1 HIS 35 7.990 -1.501 5.951 245 H THR 36 H THR 36 8.710 3.913 1.217 246 HA THR 36 HA THR 36 11.193 4.563 0.125 247 HB THR 36 HB THR 36 9.941 6.171 -1.320 248 HG1 THR 36 HG1 THR 36 7.502 5.804 -0.919 249 HG21 THR 36 3HG2 THR 36 9.457 4.407 -2.595 250 HG22 THR 36 1HG2 THR 36 8.115 3.961 -1.543 251 HG23 THR 36 2HG2 THR 36 9.740 3.372 -1.196 252 H GLY 37 H GLY 37 12.198 6.645 -0.185 253 HA2 GLY 37 1HA GLY 37 12.118 9.050 0.487 254 HA3 GLY 37 2HA GLY 37 11.720 8.464 2.096 255 H GLU 38 H GLU 38 13.418 9.027 3.315 256 HA GLU 38 HA GLU 38 16.123 8.627 2.287 257 HB2 GLU 38 1HB GLU 38 15.716 10.771 3.315 258 HB3 GLU 38 2HB GLU 38 15.088 10.005 4.767 259 HG2 GLU 38 1HG GLU 38 17.435 8.927 4.919 260 HG3 GLU 38 2HG GLU 38 17.909 10.215 3.813 261 H LYS 39 H LYS 39 16.457 6.436 2.399 262 HA LYS 39 HA LYS 39 16.725 5.348 5.106 263 HB2 LYS 39 1HB LYS 39 15.255 4.046 2.816 264 HB3 LYS 39 2HB LYS 39 15.850 3.138 4.199 265 HG2 LYS 39 1HG LYS 39 14.132 5.517 4.686 266 HG3 LYS 39 2HG LYS 39 13.385 4.025 4.112 267 HD2 LYS 39 1HD LYS 39 15.300 3.800 6.363 268 HD3 LYS 39 2HD LYS 39 13.743 4.559 6.705 269 HE2 LYS 39 1HE LYS 39 13.161 2.397 7.089 270 HE3 LYS 39 2HE LYS 39 12.863 2.445 5.352 271 HZ1 LYS 39 3HZ LYS 39 14.120 0.509 5.793 272 HZ2 LYS 39 1HZ LYS 39 15.238 1.348 6.745 273 HZ3 LYS 39 2HZ LYS 39 15.188 1.608 5.075 274 HA PRO 40 HA PRO 40 20.604 3.842 3.709 275 HB2 PRO 40 1HB PRO 40 20.858 1.571 5.174 276 HB3 PRO 40 2HB PRO 40 21.001 3.187 5.875 277 HG2 PRO 40 1HG PRO 40 18.660 1.321 5.878 278 HG3 PRO 40 2HG PRO 40 19.295 2.321 7.197 279 HD2 PRO 40 1HD PRO 40 17.133 3.041 5.735 280 HD3 PRO 40 2HD PRO 40 18.262 4.228 6.418 281 H SER 41 H SER 41 17.765 2.417 2.833 282 HA SER 41 HA SER 41 19.145 0.380 1.209 283 HB2 SER 41 1HB SER 41 17.010 -0.908 1.247 284 HB3 SER 41 2HB SER 41 17.736 -0.729 2.845 285 HG SER 41 HG SER 41 15.918 1.223 2.062 286 H GLY 42 H GLY 42 18.752 0.351 -0.949 287 HA2 GLY 42 1HA GLY 42 17.910 0.977 -2.998 288 HA3 GLY 42 2HA GLY 42 16.485 1.577 -2.162 289 HA PRO 43 HA PRO 43 19.752 5.168 -2.242 290 HB2 PRO 43 1HB PRO 43 21.793 4.849 -4.004 291 HB3 PRO 43 2HB PRO 43 21.889 4.328 -2.318 292 HG2 PRO 43 1HG PRO 43 21.308 2.712 -4.770 293 HG3 PRO 43 2HG PRO 43 22.351 2.317 -3.391 294 HD2 PRO 43 1HD PRO 43 19.846 1.322 -3.656 295 HD3 PRO 43 2HD PRO 43 20.575 1.665 -2.074 296 H SER 44 H SER 44 19.153 3.348 -5.213 297 HA SER 44 HA SER 44 18.495 5.877 -6.572 298 HB2 SER 44 1HB SER 44 19.196 3.223 -7.847 299 HB3 SER 44 2HB SER 44 18.957 4.760 -8.678 300 HG SER 44 HG SER 44 20.988 5.111 -8.336 301 H SER 45 H SER 45 16.365 6.043 -5.908 302 HA SER 45 HA SER 45 14.502 4.353 -7.337 303 HB2 SER 45 1HB SER 45 13.306 3.508 -5.497 304 HB3 SER 45 2HB SER 45 14.993 3.282 -5.037 305 HG SER 45 HG SER 45 14.825 4.843 -3.572 306 H GLY 46 H GLY 46 13.049 5.662 -8.213 307 HA2 GLY 46 1HA GLY 46 12.845 8.357 -7.945 308 HA3 GLY 46 2HA GLY 46 11.480 7.347 -8.400 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -7.078 -31.905 2.320 2 HA2 GLY 1 1HA GLY 1 -6.733 -34.682 1.804 3 HA3 GLY 1 2HA GLY 1 -6.253 -33.729 0.407 4 H SER 2 H SER 2 -4.222 -33.030 0.338 5 HA SER 2 HA SER 2 -2.689 -33.004 2.856 6 HB2 SER 2 1HB SER 2 -1.856 -33.797 0.065 7 HB3 SER 2 2HB SER 2 -0.684 -33.431 1.331 8 HG SER 2 HG SER 2 -2.741 -35.270 1.842 9 H SER 3 H SER 3 -2.589 -31.643 -0.442 10 HA SER 3 HA SER 3 -1.072 -29.365 0.395 11 HB2 SER 3 1HB SER 3 -2.535 -29.953 -2.189 12 HB3 SER 3 2HB SER 3 -1.487 -28.557 -1.933 13 HG SER 3 HG SER 3 -0.521 -31.145 -1.418 14 H GLY 4 H GLY 4 -1.876 -27.107 -0.175 15 HA2 GLY 4 1HA GLY 4 -4.345 -26.145 -0.455 16 HA3 GLY 4 2HA GLY 4 -4.413 -26.725 1.202 17 H SER 5 H SER 5 -4.582 -23.986 0.059 18 HA SER 5 HA SER 5 -2.198 -22.585 0.702 19 HB2 SER 5 1HB SER 5 -3.846 -21.623 -0.817 20 HB3 SER 5 2HB SER 5 -5.050 -21.595 0.471 21 HG SER 5 HG SER 5 -3.162 -20.296 1.531 22 H SER 6 H SER 6 -1.622 -21.447 2.524 23 HA SER 6 HA SER 6 -2.806 -22.373 4.996 24 HB2 SER 6 1HB SER 6 -0.398 -20.662 4.372 25 HB3 SER 6 2HB SER 6 -0.937 -20.978 6.020 26 HG SER 6 HG SER 6 0.642 -22.473 4.620 27 H GLY 7 H GLY 7 -4.498 -21.381 5.861 28 HA2 GLY 7 1HA GLY 7 -5.768 -19.673 6.756 29 HA3 GLY 7 2HA GLY 7 -4.489 -18.551 6.316 30 H THR 8 H THR 8 -7.628 -19.096 5.869 31 HA THR 8 HA THR 8 -7.729 -18.531 3.011 32 HB THR 8 HB THR 8 -10.176 -18.700 3.260 33 HG1 THR 8 HG1 THR 8 -11.013 -19.305 5.309 34 HG21 THR 8 3HG2 THR 8 -9.659 -21.136 4.646 35 HG22 THR 8 1HG2 THR 8 -8.275 -20.777 3.614 36 HG23 THR 8 2HG2 THR 8 -9.892 -20.882 2.916 37 H GLY 9 H GLY 9 -6.970 -16.434 2.817 38 HA2 GLY 9 1HA GLY 9 -8.753 -14.339 2.944 39 HA3 GLY 9 2HA GLY 9 -7.888 -14.295 4.474 40 H GLU 10 H GLU 10 -7.248 -14.539 0.977 41 HA GLU 10 HA GLU 10 -4.676 -13.229 1.346 42 HB2 GLU 10 1HB GLU 10 -6.040 -14.454 -1.049 43 HB3 GLU 10 2HB GLU 10 -4.523 -13.574 -1.170 44 HG2 GLU 10 1HG GLU 10 -3.953 -15.850 -1.064 45 HG3 GLU 10 2HG GLU 10 -3.586 -15.181 0.525 46 H LYS 11 H LYS 11 -4.619 -11.091 1.448 47 HA LYS 11 HA LYS 11 -6.722 -9.415 0.526 48 HB2 LYS 11 1HB LYS 11 -4.028 -8.996 1.734 49 HB3 LYS 11 2HB LYS 11 -4.789 -7.635 0.921 50 HG2 LYS 11 1HG LYS 11 -5.424 -7.387 3.139 51 HG3 LYS 11 2HG LYS 11 -6.828 -8.148 2.386 52 HD2 LYS 11 1HD LYS 11 -6.252 -10.278 3.281 53 HD3 LYS 11 2HD LYS 11 -4.670 -9.697 3.809 54 HE2 LYS 11 1HE LYS 11 -5.817 -9.616 5.788 55 HE3 LYS 11 2HE LYS 11 -6.122 -7.989 5.183 56 HZ1 LYS 11 3HZ LYS 11 -8.152 -9.381 4.106 57 HZ2 LYS 11 1HZ LYS 11 -8.250 -8.512 5.554 58 HZ3 LYS 11 2HZ LYS 11 -7.959 -10.178 5.586 59 HA PRO 12 HA PRO 12 -5.588 -8.848 -3.689 60 HB2 PRO 12 1HB PRO 12 -6.770 -6.445 -4.136 61 HB3 PRO 12 2HB PRO 12 -7.683 -7.950 -3.976 62 HG2 PRO 12 1HG PRO 12 -7.187 -5.810 -1.942 63 HG3 PRO 12 2HG PRO 12 -8.686 -6.687 -2.301 64 HD2 PRO 12 1HD PRO 12 -7.098 -7.316 -0.201 65 HD3 PRO 12 2HD PRO 12 -8.048 -8.533 -1.078 66 H PHE 13 H PHE 13 -4.812 -6.455 -1.265 67 HA PHE 13 HA PHE 13 -2.628 -5.476 -2.985 68 HB2 PHE 13 1HB PHE 13 -4.011 -3.910 -0.800 69 HB3 PHE 13 2HB PHE 13 -2.798 -3.311 -1.927 70 HD1 PHE 13 HD1 PHE 13 -3.385 -3.238 -4.389 71 HD2 PHE 13 HD2 PHE 13 -6.281 -3.833 -1.327 72 HE1 PHE 13 HE1 PHE 13 -5.165 -2.560 -5.946 73 HE2 PHE 13 HE2 PHE 13 -8.066 -3.157 -2.879 74 HZ PHE 13 HZ PHE 13 -7.510 -2.520 -5.192 75 H GLU 14 H GLU 14 -0.628 -5.773 -2.245 76 HA GLU 14 HA GLU 14 -0.201 -6.109 0.636 77 HB2 GLU 14 1HB GLU 14 -0.403 -8.346 -0.562 78 HB3 GLU 14 2HB GLU 14 1.092 -7.931 -1.388 79 HG2 GLU 14 1HG GLU 14 2.348 -8.032 0.569 80 HG3 GLU 14 2HG GLU 14 0.923 -7.909 1.599 81 H CYS 15 H CYS 15 1.555 -5.082 1.384 82 HA CYS 15 HA CYS 15 2.918 -3.186 -0.091 83 HB2 CYS 15 1HB CYS 15 2.796 -3.687 2.509 84 HB3 CYS 15 2HB CYS 15 4.331 -4.490 2.195 85 H SER 16 H SER 16 5.424 -3.171 -0.258 86 HA SER 16 HA SER 16 6.229 -5.654 -1.625 87 HB2 SER 16 1HB SER 16 7.507 -4.360 -3.157 88 HB3 SER 16 2HB SER 16 5.957 -3.531 -3.013 89 HG SER 16 HG SER 16 7.711 -2.076 -2.867 90 H GLU 17 H GLU 17 7.135 -3.208 0.690 91 HA GLU 17 HA GLU 17 9.809 -4.279 1.028 92 HB2 GLU 17 1HB GLU 17 8.284 -2.019 2.300 93 HB3 GLU 17 2HB GLU 17 9.825 -2.562 2.950 94 HG2 GLU 17 1HG GLU 17 9.466 -1.715 0.091 95 HG3 GLU 17 2HG GLU 17 9.907 -0.597 1.381 96 H CYS 18 H CYS 18 7.138 -3.655 3.312 97 HA CYS 18 HA CYS 18 8.144 -5.718 5.082 98 HB2 CYS 18 1HB CYS 18 6.556 -4.925 6.671 99 HB3 CYS 18 2HB CYS 18 7.222 -3.500 5.879 100 H GLN 19 H GLN 19 5.917 -5.477 2.531 101 HA GLN 19 HA GLN 19 4.409 -6.917 1.622 102 HB2 GLN 19 1HB GLN 19 5.946 -8.853 3.353 103 HB3 GLN 19 2HB GLN 19 4.699 -9.353 2.218 104 HG2 GLN 19 1HG GLN 19 7.189 -7.837 1.470 105 HG3 GLN 19 2HG GLN 19 6.992 -9.584 1.338 106 HE21 GLN 19 1HE2 GLN 19 7.640 -8.641 -0.921 107 HE22 GLN 19 2HE2 GLN 19 6.310 -8.391 -1.995 108 H LYS 20 H LYS 20 3.268 -5.403 3.475 109 HA LYS 20 HA LYS 20 1.869 -7.081 5.401 110 HB2 LYS 20 1HB LYS 20 2.680 -4.875 6.114 111 HB3 LYS 20 2HB LYS 20 1.689 -4.107 4.881 112 HG2 LYS 20 1HG LYS 20 -0.293 -4.586 6.000 113 HG3 LYS 20 2HG LYS 20 0.456 -5.847 6.982 114 HD2 LYS 20 1HD LYS 20 1.352 -2.996 7.206 115 HD3 LYS 20 2HD LYS 20 -0.079 -3.561 8.070 116 HE2 LYS 20 1HE LYS 20 1.168 -5.113 9.327 117 HE3 LYS 20 2HE LYS 20 2.564 -4.978 8.259 118 HZ1 LYS 20 3HZ LYS 20 2.255 -3.658 10.597 119 HZ2 LYS 20 1HZ LYS 20 1.793 -2.485 9.468 120 HZ3 LYS 20 2HZ LYS 20 3.318 -3.208 9.361 121 H ALA 21 H ALA 21 -0.475 -7.035 5.559 122 HA ALA 21 HA ALA 21 -1.697 -7.163 2.913 123 HB1 ALA 21 3HB ALA 21 -1.947 -8.689 5.255 124 HB2 ALA 21 1HB ALA 21 -3.494 -7.873 5.031 125 HB3 ALA 21 2HB ALA 21 -2.834 -8.879 3.742 126 H PHE 22 H PHE 22 -3.450 -5.962 2.273 127 HA PHE 22 HA PHE 22 -4.539 -3.982 4.130 128 HB2 PHE 22 1HB PHE 22 -3.121 -3.387 1.550 129 HB3 PHE 22 2HB PHE 22 -4.378 -2.309 2.147 130 HD1 PHE 22 HD1 PHE 22 -4.054 -1.034 4.195 131 HD2 PHE 22 HD2 PHE 22 -0.989 -3.543 2.638 132 HE1 PHE 22 HE1 PHE 22 -2.410 0.078 5.649 133 HE2 PHE 22 HE2 PHE 22 0.660 -2.435 4.090 134 HZ PHE 22 HZ PHE 22 -0.050 -0.623 5.599 135 H ASN 23 H ASN 23 -6.332 -2.684 2.853 136 HA ASN 23 HA ASN 23 -7.959 -4.695 1.445 137 HB2 ASN 23 1HB ASN 23 -9.244 -4.256 3.295 138 HB3 ASN 23 2HB ASN 23 -8.619 -2.619 3.474 139 HD21 ASN 23 1HD2 ASN 23 -10.691 -1.786 3.731 140 HD22 ASN 23 2HD2 ASN 23 -11.782 -1.620 2.401 141 H THR 24 H THR 24 -7.403 -1.183 1.645 142 HA THR 24 HA THR 24 -8.221 -0.972 -1.176 143 HB THR 24 HB THR 24 -8.399 1.523 -0.628 144 HG1 THR 24 HG1 THR 24 -7.382 0.759 1.636 145 HG21 THR 24 3HG2 THR 24 -10.240 -0.552 0.539 146 HG22 THR 24 1HG2 THR 24 -10.408 0.332 -0.977 147 HG23 THR 24 2HG2 THR 24 -10.624 1.169 0.560 148 H LYS 25 H LYS 25 -6.962 0.217 -2.627 149 HA LYS 25 HA LYS 25 -4.192 -0.030 -2.386 150 HB2 LYS 25 1HB LYS 25 -5.636 0.285 -4.496 151 HB3 LYS 25 2HB LYS 25 -5.507 2.008 -4.168 152 HG2 LYS 25 1HG LYS 25 -3.749 1.772 -5.579 153 HG3 LYS 25 2HG LYS 25 -2.929 1.421 -4.056 154 HD2 LYS 25 1HD LYS 25 -2.734 -0.808 -4.517 155 HD3 LYS 25 2HD LYS 25 -4.197 -0.843 -5.503 156 HE2 LYS 25 1HE LYS 25 -1.878 0.732 -6.491 157 HE3 LYS 25 2HE LYS 25 -1.778 -1.026 -6.571 158 HZ1 LYS 25 3HZ LYS 25 -2.944 0.555 -8.425 159 HZ2 LYS 25 1HZ LYS 25 -4.277 0.030 -7.525 160 HZ3 LYS 25 2HZ LYS 25 -3.239 -1.100 -8.237 161 H SER 26 H SER 26 -6.208 2.896 -2.128 162 HA SER 26 HA SER 26 -4.344 4.818 -1.684 163 HB2 SER 26 1HB SER 26 -6.903 5.021 -1.656 164 HB3 SER 26 2HB SER 26 -6.797 4.644 0.063 165 HG SER 26 HG SER 26 -6.761 6.878 -0.234 166 H ASN 27 H ASN 27 -5.806 2.857 0.915 167 HA ASN 27 HA ASN 27 -4.313 3.780 3.037 168 HB2 ASN 27 1HB ASN 27 -5.592 1.134 2.443 169 HB3 ASN 27 2HB ASN 27 -4.618 1.324 3.898 170 HD21 ASN 27 1HD2 ASN 27 -7.042 3.253 2.159 171 HD22 ASN 27 2HD2 ASN 27 -8.005 3.603 3.550 172 H LEU 28 H LEU 28 -3.527 1.090 0.849 173 HA LEU 28 HA LEU 28 -1.109 0.347 2.041 174 HB2 LEU 28 1HB LEU 28 -2.057 -1.134 0.480 175 HB3 LEU 28 2HB LEU 28 -2.159 0.113 -0.761 176 HG LEU 28 HG LEU 28 0.269 0.062 -1.022 177 HD11 LEU 28 1HD1 LEU 28 0.323 -2.290 0.844 178 HD12 LEU 28 2HD1 LEU 28 0.662 -0.646 1.384 179 HD13 LEU 28 3HD1 LEU 28 1.681 -1.399 0.157 180 HD21 LEU 28 3HD2 LEU 28 -1.032 -2.655 -1.181 181 HD22 LEU 28 1HD2 LEU 28 0.453 -2.181 -2.006 182 HD23 LEU 28 2HD2 LEU 28 -1.073 -1.399 -2.419 183 H ILE 29 H ILE 29 -1.724 2.579 -0.659 184 HA ILE 29 HA ILE 29 0.887 3.279 -1.255 185 HB ILE 29 HB ILE 29 -1.549 5.064 -1.327 186 HG12 ILE 29 1HG1 ILE 29 -0.294 3.580 -3.630 187 HG13 ILE 29 2HG1 ILE 29 -1.550 2.853 -2.633 188 HG21 ILE 29 1HG2 ILE 29 0.544 5.573 -3.278 189 HG22 ILE 29 2HG2 ILE 29 -0.314 6.692 -2.220 190 HG23 ILE 29 3HG2 ILE 29 1.089 5.810 -1.618 191 HD11 ILE 29 3HD1 ILE 29 -2.288 5.497 -3.548 192 HD12 ILE 29 1HD1 ILE 29 -1.920 4.404 -4.882 193 HD13 ILE 29 2HD1 ILE 29 -3.148 3.965 -3.694 194 H VAL 30 H VAL 30 -1.329 4.938 0.994 195 HA VAL 30 HA VAL 30 0.480 6.859 1.912 196 HB VAL 30 HB VAL 30 -1.829 5.601 3.401 197 HG11 VAL 30 1HG1 VAL 30 -0.311 6.715 4.933 198 HG12 VAL 30 2HG1 VAL 30 -0.330 8.166 3.929 199 HG13 VAL 30 3HG1 VAL 30 -1.797 7.648 4.761 200 HG21 VAL 30 3HG2 VAL 30 -1.613 7.907 1.497 201 HG22 VAL 30 1HG2 VAL 30 -2.753 6.561 1.490 202 HG23 VAL 30 2HG2 VAL 30 -2.901 7.836 2.700 203 H HIS 31 H HIS 31 0.157 3.496 2.682 204 HA HIS 31 HA HIS 31 1.763 3.675 5.086 205 HB2 HIS 31 1HB HIS 31 0.175 1.980 5.270 206 HB3 HIS 31 2HB HIS 31 0.404 1.448 3.607 207 HD1 HIS 31 HD1 HIS 31 2.149 1.323 6.963 208 HD2 HIS 31 HD2 HIS 31 2.158 -0.625 3.294 209 HE1 HIS 31 HE1 HIS 31 3.649 -0.672 7.265 210 H GLN 32 H GLN 32 2.186 2.950 1.709 211 HA GLN 32 HA GLN 32 4.700 1.652 1.915 212 HB2 GLN 32 1HB GLN 32 3.244 3.019 -0.332 213 HB3 GLN 32 2HB GLN 32 4.875 2.400 -0.549 214 HG2 GLN 32 1HG GLN 32 3.801 0.209 0.450 215 HG3 GLN 32 2HG GLN 32 2.322 0.937 -0.174 216 HE21 GLN 32 1HE2 GLN 32 3.734 -1.475 -1.020 217 HE22 GLN 32 2HE2 GLN 32 4.090 -1.255 -2.697 218 H ARG 33 H ARG 33 3.739 5.016 1.383 219 HA ARG 33 HA ARG 33 6.101 6.217 0.756 220 HB2 ARG 33 1HB ARG 33 4.481 7.526 2.886 221 HB3 ARG 33 2HB ARG 33 5.154 8.206 1.411 222 HG2 ARG 33 1HG ARG 33 3.391 6.632 0.265 223 HG3 ARG 33 2HG ARG 33 2.599 6.751 1.838 224 HD2 ARG 33 1HD ARG 33 1.653 8.532 0.742 225 HD3 ARG 33 2HD ARG 33 3.030 9.314 1.518 226 HE ARG 33 HE ARG 33 3.507 8.343 -1.165 227 HH11 ARG 33 1HH1 ARG 33 2.555 11.024 0.841 228 HH12 ARG 33 2HH1 ARG 33 2.949 12.222 -0.348 229 HH21 ARG 33 1HH2 ARG 33 4.029 9.910 -2.738 230 HH22 ARG 33 2HH2 ARG 33 3.786 11.587 -2.384 231 H THR 34 H THR 34 4.976 5.505 4.059 232 HA THR 34 HA THR 34 6.987 6.505 5.578 233 HB THR 34 HB THR 34 4.985 5.182 6.389 234 HG1 THR 34 HG1 THR 34 6.063 5.390 8.189 235 HG21 THR 34 3HG2 THR 34 6.011 3.141 4.931 236 HG22 THR 34 1HG2 THR 34 4.886 2.929 6.271 237 HG23 THR 34 2HG2 THR 34 6.619 2.737 6.536 238 H HIS 35 H HIS 35 7.145 3.694 3.500 239 HA HIS 35 HA HIS 35 9.666 2.764 4.493 240 HB2 HIS 35 1HB HIS 35 8.147 2.127 1.957 241 HB3 HIS 35 2HB HIS 35 9.631 1.316 2.450 242 HD1 HIS 35 HD1 HIS 35 9.094 0.758 5.376 243 HD2 HIS 35 HD2 HIS 35 6.230 0.269 2.406 244 HE1 HIS 35 HE1 HIS 35 7.430 -0.882 6.309 245 H THR 36 H THR 36 8.674 4.355 1.460 246 HA THR 36 HA THR 36 11.459 5.268 1.140 247 HB THR 36 HB THR 36 10.787 3.779 -0.672 248 HG1 THR 36 HG1 THR 36 11.314 6.483 -1.103 249 HG21 THR 36 3HG2 THR 36 8.297 5.054 -0.410 250 HG22 THR 36 1HG2 THR 36 8.739 3.786 -1.551 251 HG23 THR 36 2HG2 THR 36 8.897 5.481 -2.012 252 H GLY 37 H GLY 37 11.542 7.291 1.930 253 HA2 GLY 37 1HA GLY 37 10.023 9.348 0.595 254 HA3 GLY 37 2HA GLY 37 9.591 9.144 2.287 255 H GLU 38 H GLU 38 11.455 9.215 3.845 256 HA GLU 38 HA GLU 38 13.240 11.404 3.050 257 HB2 GLU 38 1HB GLU 38 12.144 10.477 5.683 258 HB3 GLU 38 2HB GLU 38 13.605 11.453 5.632 259 HG2 GLU 38 1HG GLU 38 12.193 13.055 4.173 260 HG3 GLU 38 2HG GLU 38 10.818 12.186 4.853 261 H LYS 39 H LYS 39 15.031 10.518 2.177 262 HA LYS 39 HA LYS 39 16.285 8.213 3.448 263 HB2 LYS 39 1HB LYS 39 17.824 8.286 1.502 264 HB3 LYS 39 2HB LYS 39 16.133 8.153 1.037 265 HG2 LYS 39 1HG LYS 39 16.061 10.505 0.488 266 HG3 LYS 39 2HG LYS 39 17.722 10.711 1.047 267 HD2 LYS 39 1HD LYS 39 18.474 9.133 -0.693 268 HD3 LYS 39 2HD LYS 39 16.811 9.007 -1.272 269 HE2 LYS 39 1HE LYS 39 16.890 11.534 -1.556 270 HE3 LYS 39 2HE LYS 39 18.632 11.401 -1.320 271 HZ1 LYS 39 3HZ LYS 39 17.056 10.060 -3.451 272 HZ2 LYS 39 1HZ LYS 39 18.722 9.888 -3.214 273 HZ3 LYS 39 2HZ LYS 39 18.082 11.389 -3.660 274 HA PRO 40 HA PRO 40 19.174 10.631 5.736 275 HB2 PRO 40 1HB PRO 40 21.069 8.727 6.132 276 HB3 PRO 40 2HB PRO 40 19.524 8.739 6.992 277 HG2 PRO 40 1HG PRO 40 20.347 7.142 4.597 278 HG3 PRO 40 2HG PRO 40 19.435 6.625 6.028 279 HD2 PRO 40 1HD PRO 40 18.238 7.216 3.672 280 HD3 PRO 40 2HD PRO 40 17.456 7.505 5.240 281 H SER 41 H SER 41 21.158 11.683 5.512 282 HA SER 41 HA SER 41 22.779 11.068 3.155 283 HB2 SER 41 1HB SER 41 20.947 12.935 2.798 284 HB3 SER 41 2HB SER 41 22.109 13.941 3.663 285 HG SER 41 HG SER 41 23.444 13.846 2.012 286 H GLY 42 H GLY 42 24.885 12.138 3.180 287 HA2 GLY 42 1HA GLY 42 26.430 11.767 5.322 288 HA3 GLY 42 2HA GLY 42 26.724 13.110 4.228 289 HA PRO 43 HA PRO 43 25.909 16.036 7.381 290 HB2 PRO 43 1HB PRO 43 24.410 17.927 6.137 291 HB3 PRO 43 2HB PRO 43 26.132 17.697 5.810 292 HG2 PRO 43 1HG PRO 43 23.763 16.727 4.258 293 HG3 PRO 43 2HG PRO 43 25.273 17.441 3.664 294 HD2 PRO 43 1HD PRO 43 24.815 14.773 3.639 295 HD3 PRO 43 2HD PRO 43 26.436 15.461 3.865 296 H SER 44 H SER 44 24.659 15.214 8.987 297 HA SER 44 HA SER 44 21.960 16.038 9.202 298 HB2 SER 44 1HB SER 44 20.915 13.776 9.295 299 HB3 SER 44 2HB SER 44 21.498 14.200 7.686 300 HG SER 44 HG SER 44 23.348 12.912 9.260 301 H SER 45 H SER 45 20.919 15.095 11.212 302 HA SER 45 HA SER 45 21.001 14.900 13.480 303 HB2 SER 45 1HB SER 45 23.280 13.022 12.808 304 HB3 SER 45 2HB SER 45 22.436 13.091 14.355 305 HG SER 45 HG SER 45 21.318 12.416 11.835 306 H GLY 46 H GLY 46 22.301 17.157 12.519 307 HA2 GLY 46 1HA GLY 46 24.842 17.355 13.940 308 HA3 GLY 46 2HA GLY 46 24.135 18.579 12.896 Start of MODEL 6 1 H1 GLY 1 H GLY 1 2.005 -24.090 19.150 2 HA2 GLY 1 1HA GLY 1 1.993 -25.948 17.046 3 HA3 GLY 1 2HA GLY 1 0.834 -26.483 18.254 4 H SER 2 H SER 2 1.594 -24.063 15.870 5 HA SER 2 HA SER 2 -0.521 -22.278 16.365 6 HB2 SER 2 1HB SER 2 0.827 -22.912 13.728 7 HB3 SER 2 2HB SER 2 -0.142 -21.480 14.074 8 HG SER 2 HG SER 2 2.242 -22.201 15.438 9 H SER 3 H SER 3 -2.619 -22.687 16.311 10 HA SER 3 HA SER 3 -3.876 -24.965 15.474 11 HB2 SER 3 1HB SER 3 -4.821 -22.137 15.778 12 HB3 SER 3 2HB SER 3 -5.918 -23.351 15.119 13 HG SER 3 HG SER 3 -6.184 -24.079 17.062 14 H GLY 4 H GLY 4 -3.262 -22.044 13.559 15 HA2 GLY 4 1HA GLY 4 -2.667 -22.309 11.218 16 HA3 GLY 4 2HA GLY 4 -3.805 -23.646 11.141 17 H SER 5 H SER 5 -5.997 -22.495 12.424 18 HA SER 5 HA SER 5 -7.300 -21.216 10.345 19 HB2 SER 5 1HB SER 5 -8.390 -22.297 12.328 20 HB3 SER 5 2HB SER 5 -7.955 -20.878 13.280 21 HG SER 5 HG SER 5 -9.131 -19.690 11.536 22 H SER 6 H SER 6 -5.664 -19.797 13.149 23 HA SER 6 HA SER 6 -6.343 -17.119 12.642 24 HB2 SER 6 1HB SER 6 -5.211 -18.243 14.725 25 HB3 SER 6 2HB SER 6 -3.712 -17.847 13.885 26 HG SER 6 HG SER 6 -3.995 -15.820 14.366 27 H GLY 7 H GLY 7 -5.116 -15.414 11.727 28 HA2 GLY 7 1HA GLY 7 -2.951 -14.854 10.594 29 HA3 GLY 7 2HA GLY 7 -3.194 -16.334 9.679 30 H THR 8 H THR 8 -3.303 -13.138 9.365 31 HA THR 8 HA THR 8 -5.510 -13.240 7.414 32 HB THR 8 HB THR 8 -5.838 -10.803 7.802 33 HG1 THR 8 HG1 THR 8 -3.699 -11.250 9.505 34 HG21 THR 8 3HG2 THR 8 -6.868 -12.890 9.200 35 HG22 THR 8 1HG2 THR 8 -7.391 -11.216 9.388 36 HG23 THR 8 2HG2 THR 8 -6.212 -11.903 10.506 37 H GLY 9 H GLY 9 -4.286 -13.629 5.604 38 HA2 GLY 9 1HA GLY 9 -2.696 -11.373 4.664 39 HA3 GLY 9 2HA GLY 9 -1.857 -12.912 4.800 40 H GLU 10 H GLU 10 -5.103 -11.992 3.648 41 HA GLU 10 HA GLU 10 -4.420 -13.199 1.052 42 HB2 GLU 10 1HB GLU 10 -6.797 -13.715 2.803 43 HB3 GLU 10 2HB GLU 10 -6.949 -13.861 1.058 44 HG2 GLU 10 1HG GLU 10 -4.801 -15.359 1.340 45 HG3 GLU 10 2HG GLU 10 -5.427 -15.535 2.979 46 H LYS 11 H LYS 11 -4.314 -10.450 1.723 47 HA LYS 11 HA LYS 11 -6.720 -9.226 0.656 48 HB2 LYS 11 1HB LYS 11 -4.227 -8.263 1.960 49 HB3 LYS 11 2HB LYS 11 -5.041 -7.152 0.866 50 HG2 LYS 11 1HG LYS 11 -5.815 -6.722 3.076 51 HG3 LYS 11 2HG LYS 11 -7.128 -7.490 2.180 52 HD2 LYS 11 1HD LYS 11 -5.288 -9.242 3.720 53 HD3 LYS 11 2HD LYS 11 -6.445 -8.266 4.627 54 HE2 LYS 11 1HE LYS 11 -8.278 -9.215 3.335 55 HE3 LYS 11 2HE LYS 11 -7.134 -10.156 2.378 56 HZ1 LYS 11 3HZ LYS 11 -6.997 -11.701 3.956 57 HZ2 LYS 11 1HZ LYS 11 -8.373 -10.995 4.643 58 HZ3 LYS 11 2HZ LYS 11 -6.835 -10.566 5.200 59 HA PRO 12 HA PRO 12 -5.434 -8.893 -3.528 60 HB2 PRO 12 1HB PRO 12 -6.529 -6.510 -4.229 61 HB3 PRO 12 2HB PRO 12 -7.492 -7.969 -3.963 62 HG2 PRO 12 1HG PRO 12 -6.993 -5.665 -2.117 63 HG3 PRO 12 2HG PRO 12 -8.506 -6.530 -2.443 64 HD2 PRO 12 1HD PRO 12 -7.000 -7.007 -0.244 65 HD3 PRO 12 2HD PRO 12 -7.959 -8.273 -1.037 66 H PHE 13 H PHE 13 -4.715 -6.239 -1.350 67 HA PHE 13 HA PHE 13 -2.473 -5.455 -3.094 68 HB2 PHE 13 1HB PHE 13 -3.731 -3.751 -0.941 69 HB3 PHE 13 2HB PHE 13 -2.595 -3.243 -2.187 70 HD1 PHE 13 HD1 PHE 13 -3.345 -3.206 -4.575 71 HD2 PHE 13 HD2 PHE 13 -6.045 -3.768 -1.333 72 HE1 PHE 13 HE1 PHE 13 -5.224 -2.591 -6.039 73 HE2 PHE 13 HE2 PHE 13 -7.929 -3.155 -2.792 74 HZ PHE 13 HZ PHE 13 -7.520 -2.566 -5.148 75 H GLU 14 H GLU 14 -0.488 -5.850 -2.378 76 HA GLU 14 HA GLU 14 -0.039 -6.084 0.516 77 HB2 GLU 14 1HB GLU 14 -0.222 -8.312 -0.895 78 HB3 GLU 14 2HB GLU 14 1.432 -7.910 -1.333 79 HG2 GLU 14 1HG GLU 14 1.845 -9.189 0.486 80 HG3 GLU 14 2HG GLU 14 1.673 -7.627 1.284 81 H CYS 15 H CYS 15 1.869 -5.269 1.258 82 HA CYS 15 HA CYS 15 3.233 -3.389 -0.355 83 HB2 CYS 15 1HB CYS 15 2.937 -3.498 2.237 84 HB3 CYS 15 2HB CYS 15 4.399 -4.479 2.186 85 H SER 16 H SER 16 5.707 -3.391 -0.463 86 HA SER 16 HA SER 16 6.563 -6.017 -1.479 87 HB2 SER 16 1HB SER 16 8.090 -4.823 -2.947 88 HB3 SER 16 2HB SER 16 6.465 -4.168 -3.143 89 HG SER 16 HG SER 16 7.191 -2.311 -2.510 90 H GLU 17 H GLU 17 7.333 -3.421 0.702 91 HA GLU 17 HA GLU 17 9.993 -4.388 1.274 92 HB2 GLU 17 1HB GLU 17 8.269 -2.187 2.373 93 HB3 GLU 17 2HB GLU 17 9.749 -2.662 3.195 94 HG2 GLU 17 1HG GLU 17 9.753 -1.955 0.287 95 HG3 GLU 17 2HG GLU 17 9.834 -0.711 1.534 96 H CYS 18 H CYS 18 7.159 -3.870 3.381 97 HA CYS 18 HA CYS 18 8.127 -5.960 5.164 98 HB2 CYS 18 1HB CYS 18 6.359 -5.194 6.685 99 HB3 CYS 18 2HB CYS 18 7.363 -3.850 6.150 100 H GLN 19 H GLN 19 5.894 -5.565 2.623 101 HA GLN 19 HA GLN 19 4.427 -6.991 1.627 102 HB2 GLN 19 1HB GLN 19 5.418 -9.075 3.575 103 HB3 GLN 19 2HB GLN 19 4.606 -9.358 2.041 104 HG2 GLN 19 1HG GLN 19 6.673 -7.982 1.121 105 HG3 GLN 19 2HG GLN 19 7.416 -8.604 2.594 106 HE21 GLN 19 1HE2 GLN 19 6.285 -9.334 -0.560 107 HE22 GLN 19 2HE2 GLN 19 6.767 -10.993 -0.592 108 H LYS 20 H LYS 20 3.460 -5.319 3.609 109 HA LYS 20 HA LYS 20 1.788 -6.794 5.429 110 HB2 LYS 20 1HB LYS 20 2.745 -4.503 5.883 111 HB3 LYS 20 2HB LYS 20 1.601 -3.867 4.708 112 HG2 LYS 20 1HG LYS 20 0.408 -3.520 6.604 113 HG3 LYS 20 2HG LYS 20 -0.129 -5.160 6.236 114 HD2 LYS 20 1HD LYS 20 1.761 -5.964 7.720 115 HD3 LYS 20 2HD LYS 20 1.942 -4.287 8.239 116 HE2 LYS 20 1HE LYS 20 0.557 -5.349 9.843 117 HE3 LYS 20 2HE LYS 20 -0.497 -4.333 8.861 118 HZ1 LYS 20 3HZ LYS 20 -1.687 -6.253 8.870 119 HZ2 LYS 20 1HZ LYS 20 -0.326 -7.250 8.998 120 HZ3 LYS 20 2HZ LYS 20 -0.730 -6.557 7.509 121 H ALA 21 H ALA 21 -0.477 -6.925 5.389 122 HA ALA 21 HA ALA 21 -1.597 -6.935 2.696 123 HB1 ALA 21 3HB ALA 21 -1.981 -8.957 3.841 124 HB2 ALA 21 1HB ALA 21 -2.506 -8.122 5.303 125 HB3 ALA 21 2HB ALA 21 -3.524 -8.104 3.863 126 H PHE 22 H PHE 22 -3.064 -5.517 1.980 127 HA PHE 22 HA PHE 22 -4.355 -3.737 3.938 128 HB2 PHE 22 1HB PHE 22 -3.009 -3.031 1.337 129 HB3 PHE 22 2HB PHE 22 -4.218 -1.978 2.067 130 HD1 PHE 22 HD1 PHE 22 -3.797 -1.075 4.377 131 HD2 PHE 22 HD2 PHE 22 -0.790 -3.026 2.082 132 HE1 PHE 22 HE1 PHE 22 -2.062 -0.066 5.799 133 HE2 PHE 22 HE2 PHE 22 0.950 -2.021 3.501 134 HZ PHE 22 HZ PHE 22 0.316 -0.539 5.363 135 H ASN 23 H ASN 23 -6.436 -2.984 3.404 136 HA ASN 23 HA ASN 23 -7.925 -4.815 1.723 137 HB2 ASN 23 1HB ASN 23 -9.159 -2.470 3.129 138 HB3 ASN 23 2HB ASN 23 -9.841 -4.063 2.813 139 HD21 ASN 23 1HD2 ASN 23 -9.947 -5.383 4.471 140 HD22 ASN 23 2HD2 ASN 23 -8.984 -5.299 5.904 141 H THR 24 H THR 24 -7.401 -1.303 1.914 142 HA THR 24 HA THR 24 -8.443 -1.062 -0.827 143 HB THR 24 HB THR 24 -8.683 1.354 -0.354 144 HG1 THR 24 HG1 THR 24 -7.678 2.125 1.331 145 HG21 THR 24 3HG2 THR 24 -10.736 0.512 0.057 146 HG22 THR 24 1HG2 THR 24 -10.338 0.853 1.740 147 HG23 THR 24 2HG2 THR 24 -10.114 -0.772 1.093 148 H LYS 25 H LYS 25 -7.364 0.528 -2.231 149 HA LYS 25 HA LYS 25 -4.544 0.074 -2.281 150 HB2 LYS 25 1HB LYS 25 -5.949 0.254 -4.325 151 HB3 LYS 25 2HB LYS 25 -6.193 1.960 -3.975 152 HG2 LYS 25 1HG LYS 25 -4.481 2.134 -5.449 153 HG3 LYS 25 2HG LYS 25 -3.546 1.959 -3.961 154 HD2 LYS 25 1HD LYS 25 -3.802 -0.616 -4.557 155 HD3 LYS 25 2HD LYS 25 -3.964 0.037 -6.189 156 HE2 LYS 25 1HE LYS 25 -1.741 1.040 -4.490 157 HE3 LYS 25 2HE LYS 25 -1.606 -0.587 -5.152 158 HZ1 LYS 25 3HZ LYS 25 -0.858 0.389 -6.986 159 HZ2 LYS 25 1HZ LYS 25 -1.318 1.932 -6.465 160 HZ3 LYS 25 2HZ LYS 25 -2.434 0.940 -7.260 161 H SER 26 H SER 26 -6.466 3.076 -2.092 162 HA SER 26 HA SER 26 -4.514 4.925 -1.724 163 HB2 SER 26 1HB SER 26 -6.145 6.201 -0.321 164 HB3 SER 26 2HB SER 26 -6.844 5.574 -1.814 165 HG SER 26 HG SER 26 -7.965 4.097 -0.692 166 H ASN 27 H ASN 27 -5.983 2.974 0.866 167 HA ASN 27 HA ASN 27 -4.523 3.978 3.005 168 HB2 ASN 27 1HB ASN 27 -5.881 1.369 2.458 169 HB3 ASN 27 2HB ASN 27 -4.871 1.519 3.893 170 HD21 ASN 27 1HD2 ASN 27 -6.503 1.393 5.363 171 HD22 ASN 27 2HD2 ASN 27 -7.714 2.612 5.549 172 H LEU 28 H LEU 28 -3.750 1.275 0.838 173 HA LEU 28 HA LEU 28 -1.344 0.527 2.095 174 HB2 LEU 28 1HB LEU 28 -2.247 -1.051 0.642 175 HB3 LEU 28 2HB LEU 28 -2.481 0.130 -0.646 176 HG LEU 28 HG LEU 28 -0.006 0.194 -0.944 177 HD11 LEU 28 1HD1 LEU 28 0.301 -2.363 0.491 178 HD12 LEU 28 2HD1 LEU 28 0.162 -0.919 1.493 179 HD13 LEU 28 3HD1 LEU 28 1.438 -1.030 0.281 180 HD21 LEU 28 3HD2 LEU 28 0.015 -1.632 -2.353 181 HD22 LEU 28 1HD2 LEU 28 -1.715 -1.359 -2.145 182 HD23 LEU 28 2HD2 LEU 28 -0.910 -2.639 -1.237 183 H ILE 29 H ILE 29 -1.942 2.596 -0.739 184 HA ILE 29 HA ILE 29 0.658 3.243 -1.392 185 HB ILE 29 HB ILE 29 -1.729 5.090 -1.495 186 HG12 ILE 29 1HG1 ILE 29 -0.607 3.372 -3.709 187 HG13 ILE 29 2HG1 ILE 29 -1.916 2.837 -2.662 188 HG21 ILE 29 1HG2 ILE 29 -0.189 5.817 -3.576 189 HG22 ILE 29 2HG2 ILE 29 -0.107 6.578 -1.988 190 HG23 ILE 29 3HG2 ILE 29 1.057 5.328 -2.428 191 HD11 ILE 29 3HD1 ILE 29 -2.356 5.462 -3.862 192 HD12 ILE 29 1HD1 ILE 29 -2.223 4.144 -5.026 193 HD13 ILE 29 2HD1 ILE 29 -3.430 4.068 -3.742 194 H VAL 30 H VAL 30 -1.463 4.856 0.958 195 HA VAL 30 HA VAL 30 0.304 6.893 1.713 196 HB VAL 30 HB VAL 30 -1.865 5.539 3.319 197 HG11 VAL 30 1HG1 VAL 30 -0.716 6.546 5.015 198 HG12 VAL 30 2HG1 VAL 30 -0.029 7.786 3.963 199 HG13 VAL 30 3HG1 VAL 30 -1.709 7.905 4.488 200 HG21 VAL 30 3HG2 VAL 30 -1.872 8.170 1.843 201 HG22 VAL 30 1HG2 VAL 30 -2.587 6.673 1.245 202 HG23 VAL 30 2HG2 VAL 30 -3.228 7.436 2.700 203 H HIS 31 H HIS 31 0.189 3.529 2.558 204 HA HIS 31 HA HIS 31 1.882 3.773 4.872 205 HB2 HIS 31 1HB HIS 31 0.545 1.899 5.055 206 HB3 HIS 31 2HB HIS 31 0.666 1.514 3.341 207 HD1 HIS 31 HD1 HIS 31 2.594 1.197 6.563 208 HD2 HIS 31 HD2 HIS 31 2.680 -0.245 2.668 209 HE1 HIS 31 HE1 HIS 31 4.315 -0.637 6.563 210 H GLN 32 H GLN 32 2.334 2.235 1.681 211 HA GLN 32 HA GLN 32 4.888 1.486 1.681 212 HB2 GLN 32 1HB GLN 32 3.479 3.072 -0.462 213 HB3 GLN 32 2HB GLN 32 5.064 2.350 -0.701 214 HG2 GLN 32 1HG GLN 32 4.229 0.177 -0.557 215 HG3 GLN 32 2HG GLN 32 2.723 0.710 0.188 216 HE21 GLN 32 1HE2 GLN 32 3.200 -0.927 -2.198 217 HE22 GLN 32 2HE2 GLN 32 2.381 -0.125 -3.490 218 H ARG 33 H ARG 33 3.865 4.866 1.324 219 HA ARG 33 HA ARG 33 6.298 6.082 0.917 220 HB2 ARG 33 1HB ARG 33 4.427 7.391 2.828 221 HB3 ARG 33 2HB ARG 33 5.260 8.064 1.434 222 HG2 ARG 33 1HG ARG 33 3.695 6.674 0.005 223 HG3 ARG 33 2HG ARG 33 2.768 6.394 1.480 224 HD2 ARG 33 1HD ARG 33 3.488 9.154 0.535 225 HD3 ARG 33 2HD ARG 33 2.033 8.325 -0.013 226 HE ARG 33 HE ARG 33 1.106 8.588 2.093 227 HH11 ARG 33 1HH1 ARG 33 4.427 9.633 2.069 228 HH12 ARG 33 2HH1 ARG 33 4.325 10.425 3.607 229 HH21 ARG 33 1HH2 ARG 33 0.959 9.628 4.119 230 HH22 ARG 33 2HH2 ARG 33 2.353 10.420 4.772 231 H THR 34 H THR 34 4.804 5.232 4.026 232 HA THR 34 HA THR 34 6.530 6.285 5.831 233 HB THR 34 HB THR 34 4.512 4.638 6.157 234 HG1 THR 34 HG1 THR 34 5.439 4.195 8.322 235 HG21 THR 34 3HG2 THR 34 5.661 2.696 5.162 236 HG22 THR 34 1HG2 THR 34 5.189 2.401 6.835 237 HG23 THR 34 2HG2 THR 34 6.869 2.770 6.445 238 H HIS 35 H HIS 35 7.073 3.394 3.874 239 HA HIS 35 HA HIS 35 9.471 2.567 5.088 240 HB2 HIS 35 1HB HIS 35 8.286 2.125 2.358 241 HB3 HIS 35 2HB HIS 35 9.868 1.479 2.781 242 HD1 HIS 35 HD1 HIS 35 9.828 -0.133 4.996 243 HD2 HIS 35 HD2 HIS 35 6.218 0.512 3.044 244 HE1 HIS 35 HE1 HIS 35 8.307 -1.980 5.768 245 H THR 36 H THR 36 8.838 4.747 2.374 246 HA THR 36 HA THR 36 11.666 5.265 1.994 247 HB THR 36 HB THR 36 10.866 6.895 0.259 248 HG1 THR 36 HG1 THR 36 8.460 6.241 -0.205 249 HG21 THR 36 3HG2 THR 36 9.594 4.209 -0.178 250 HG22 THR 36 1HG2 THR 36 11.345 4.395 -0.101 251 HG23 THR 36 2HG2 THR 36 10.423 5.242 -1.343 252 H GLY 37 H GLY 37 12.780 6.887 2.883 253 HA2 GLY 37 1HA GLY 37 12.149 9.467 3.322 254 HA3 GLY 37 2HA GLY 37 11.427 8.677 4.716 255 H GLU 38 H GLU 38 13.054 7.002 5.738 256 HA GLU 38 HA GLU 38 15.119 8.476 6.895 257 HB2 GLU 38 1HB GLU 38 14.434 5.567 6.801 258 HB3 GLU 38 2HB GLU 38 15.983 6.057 7.473 259 HG2 GLU 38 1HG GLU 38 14.742 7.573 9.020 260 HG3 GLU 38 2HG GLU 38 13.247 6.849 8.431 261 H LYS 39 H LYS 39 16.664 9.364 5.650 262 HA LYS 39 HA LYS 39 18.382 7.527 4.138 263 HB2 LYS 39 1HB LYS 39 16.998 9.971 3.131 264 HB3 LYS 39 2HB LYS 39 18.618 9.630 2.538 265 HG2 LYS 39 1HG LYS 39 17.788 7.341 1.908 266 HG3 LYS 39 2HG LYS 39 16.161 7.920 2.274 267 HD2 LYS 39 1HD LYS 39 18.006 9.287 0.324 268 HD3 LYS 39 2HD LYS 39 16.841 8.048 -0.149 269 HE2 LYS 39 1HE LYS 39 15.164 9.598 1.157 270 HE3 LYS 39 2HE LYS 39 16.380 10.829 0.822 271 HZ1 LYS 39 3HZ LYS 39 14.540 9.513 -0.980 272 HZ2 LYS 39 1HZ LYS 39 16.116 9.669 -1.575 273 HZ3 LYS 39 2HZ LYS 39 15.256 11.042 -1.089 274 HA PRO 40 HA PRO 40 21.769 9.575 6.031 275 HB2 PRO 40 1HB PRO 40 23.618 9.608 4.043 276 HB3 PRO 40 2HB PRO 40 23.153 8.133 4.898 277 HG2 PRO 40 1HG PRO 40 22.242 9.145 2.232 278 HG3 PRO 40 2HG PRO 40 22.691 7.497 2.709 279 HD2 PRO 40 1HD PRO 40 20.114 8.304 2.503 280 HD3 PRO 40 2HD PRO 40 20.642 7.087 3.683 281 H SER 41 H SER 41 20.712 10.848 2.923 282 HA SER 41 HA SER 41 21.982 13.421 3.468 283 HB2 SER 41 1HB SER 41 21.452 14.003 1.196 284 HB3 SER 41 2HB SER 41 22.100 12.363 1.185 285 HG SER 41 HG SER 41 19.372 13.132 1.039 286 H GLY 42 H GLY 42 20.466 15.329 2.602 287 HA2 GLY 42 1HA GLY 42 18.363 15.516 4.526 288 HA3 GLY 42 2HA GLY 42 18.769 16.718 3.310 289 HA PRO 43 HA PRO 43 15.007 15.719 1.273 290 HB2 PRO 43 1HB PRO 43 15.590 16.659 -1.206 291 HB3 PRO 43 2HB PRO 43 15.247 17.718 0.167 292 HG2 PRO 43 1HG PRO 43 17.888 16.912 -0.989 293 HG3 PRO 43 2HG PRO 43 17.348 18.509 -0.439 294 HD2 PRO 43 1HD PRO 43 18.925 16.905 1.069 295 HD3 PRO 43 2HD PRO 43 17.735 18.015 1.779 296 H SER 44 H SER 44 17.907 15.035 -0.696 297 HA SER 44 HA SER 44 17.404 12.274 -0.913 298 HB2 SER 44 1HB SER 44 15.520 12.861 -2.302 299 HB3 SER 44 2HB SER 44 16.512 13.956 -3.265 300 HG SER 44 HG SER 44 16.246 11.229 -3.417 301 H SER 45 H SER 45 18.989 11.176 -2.157 302 HA SER 45 HA SER 45 21.390 12.782 -2.577 303 HB2 SER 45 1HB SER 45 20.902 9.817 -2.313 304 HB3 SER 45 2HB SER 45 22.458 10.466 -2.830 305 HG SER 45 HG SER 45 21.490 11.703 -0.601 306 H GLY 46 H GLY 46 22.834 11.985 -4.443 307 HA2 GLY 46 1HA GLY 46 23.157 11.571 -6.694 308 HA3 GLY 46 2HA GLY 46 21.505 10.978 -6.780 Start of MODEL 7 1 H1 GLY 1 H GLY 1 12.563 -14.479 2.234 2 HA2 GLY 1 1HA GLY 1 10.527 -13.572 2.878 3 HA3 GLY 1 2HA GLY 1 10.026 -15.245 2.684 4 H SER 2 H SER 2 11.420 -16.354 4.873 5 HA SER 2 HA SER 2 10.786 -16.933 7.009 6 HB2 SER 2 1HB SER 2 11.677 -14.059 7.193 7 HB3 SER 2 2HB SER 2 11.284 -15.006 8.628 8 HG SER 2 HG SER 2 12.859 -16.564 7.792 9 H SER 3 H SER 3 8.515 -16.409 5.504 10 HA SER 3 HA SER 3 6.800 -14.787 7.244 11 HB2 SER 3 1HB SER 3 6.525 -14.178 4.962 12 HB3 SER 3 2HB SER 3 6.441 -15.862 4.446 13 HG SER 3 HG SER 3 4.456 -16.006 5.621 14 H GLY 4 H GLY 4 6.342 -16.086 8.971 15 HA2 GLY 4 1HA GLY 4 4.795 -18.519 8.352 16 HA3 GLY 4 2HA GLY 4 6.045 -18.547 9.587 17 H SER 5 H SER 5 2.984 -17.013 8.690 18 HA SER 5 HA SER 5 2.150 -17.092 11.468 19 HB2 SER 5 1HB SER 5 2.551 -14.526 9.944 20 HB3 SER 5 2HB SER 5 1.385 -14.635 11.263 21 HG SER 5 HG SER 5 3.041 -15.127 12.665 22 H SER 6 H SER 6 -0.062 -17.151 11.729 23 HA SER 6 HA SER 6 -1.632 -18.229 9.753 24 HB2 SER 6 1HB SER 6 -2.231 -18.234 12.148 25 HB3 SER 6 2HB SER 6 -2.592 -16.510 12.055 26 HG SER 6 HG SER 6 -4.225 -17.021 10.531 27 H GLY 7 H GLY 7 -3.232 -17.449 8.354 28 HA2 GLY 7 1HA GLY 7 -3.114 -14.544 7.824 29 HA3 GLY 7 2HA GLY 7 -3.068 -15.728 6.526 30 H THR 8 H THR 8 -5.063 -14.231 8.981 31 HA THR 8 HA THR 8 -7.451 -15.641 8.227 32 HB THR 8 HB THR 8 -7.108 -13.162 9.925 33 HG1 THR 8 HG1 THR 8 -6.302 -15.464 10.524 34 HG21 THR 8 3HG2 THR 8 -9.499 -14.993 9.752 35 HG22 THR 8 1HG2 THR 8 -9.380 -13.455 8.899 36 HG23 THR 8 2HG2 THR 8 -9.361 -13.489 10.662 37 H GLY 9 H GLY 9 -7.974 -15.297 6.109 38 HA2 GLY 9 1HA GLY 9 -8.779 -14.200 4.260 39 HA3 GLY 9 2HA GLY 9 -9.424 -13.027 5.399 40 H GLU 10 H GLU 10 -6.870 -13.765 3.175 41 HA GLU 10 HA GLU 10 -5.218 -11.527 3.806 42 HB2 GLU 10 1HB GLU 10 -4.723 -13.753 2.456 43 HB3 GLU 10 2HB GLU 10 -5.196 -12.757 1.087 44 HG2 GLU 10 1HG GLU 10 -3.407 -11.310 1.352 45 HG3 GLU 10 2HG GLU 10 -3.147 -11.782 3.031 46 H LYS 11 H LYS 11 -4.700 -9.872 2.050 47 HA LYS 11 HA LYS 11 -7.236 -8.825 0.976 48 HB2 LYS 11 1HB LYS 11 -4.907 -7.525 2.292 49 HB3 LYS 11 2HB LYS 11 -5.704 -6.633 1.003 50 HG2 LYS 11 1HG LYS 11 -6.745 -5.911 2.963 51 HG3 LYS 11 2HG LYS 11 -7.874 -7.073 2.261 52 HD2 LYS 11 1HD LYS 11 -7.865 -7.820 4.417 53 HD3 LYS 11 2HD LYS 11 -6.508 -8.757 3.787 54 HE2 LYS 11 1HE LYS 11 -4.987 -6.948 4.590 55 HE3 LYS 11 2HE LYS 11 -6.380 -6.185 5.355 56 HZ1 LYS 11 3HZ LYS 11 -6.009 -7.471 7.102 57 HZ2 LYS 11 1HZ LYS 11 -4.785 -8.319 6.299 58 HZ3 LYS 11 2HZ LYS 11 -6.392 -8.829 6.169 59 HA PRO 12 HA PRO 12 -5.675 -8.871 -3.124 60 HB2 PRO 12 1HB PRO 12 -6.633 -6.543 -4.141 61 HB3 PRO 12 2HB PRO 12 -7.664 -7.936 -3.792 62 HG2 PRO 12 1HG PRO 12 -7.200 -5.466 -2.165 63 HG3 PRO 12 2HG PRO 12 -8.721 -6.315 -2.502 64 HD2 PRO 12 1HD PRO 12 -7.379 -6.601 -0.167 65 HD3 PRO 12 2HD PRO 12 -8.332 -7.914 -0.889 66 H PHE 13 H PHE 13 -5.169 -5.805 -1.413 67 HA PHE 13 HA PHE 13 -2.797 -5.278 -3.044 68 HB2 PHE 13 1HB PHE 13 -4.026 -3.483 -0.948 69 HB3 PHE 13 2HB PHE 13 -2.863 -3.036 -2.191 70 HD1 PHE 13 HD1 PHE 13 -3.556 -2.766 -4.505 71 HD2 PHE 13 HD2 PHE 13 -6.360 -3.734 -1.453 72 HE1 PHE 13 HE1 PHE 13 -5.401 -2.146 -6.009 73 HE2 PHE 13 HE2 PHE 13 -8.210 -3.117 -2.953 74 HZ PHE 13 HZ PHE 13 -7.733 -2.322 -5.234 75 H GLU 14 H GLU 14 -0.766 -5.397 -2.272 76 HA GLU 14 HA GLU 14 -0.350 -5.681 0.612 77 HB2 GLU 14 1HB GLU 14 -0.518 -7.942 -0.656 78 HB3 GLU 14 2HB GLU 14 1.072 -7.528 -1.280 79 HG2 GLU 14 1HG GLU 14 2.014 -7.510 0.901 80 HG3 GLU 14 2HG GLU 14 0.424 -7.633 1.652 81 H CYS 15 H CYS 15 1.676 -5.030 1.346 82 HA CYS 15 HA CYS 15 2.949 -3.008 -0.150 83 HB2 CYS 15 1HB CYS 15 2.859 -3.501 2.449 84 HB3 CYS 15 2HB CYS 15 4.369 -4.343 2.115 85 H SER 16 H SER 16 5.523 -3.105 -0.194 86 HA SER 16 HA SER 16 6.230 -5.569 -1.649 87 HB2 SER 16 1HB SER 16 6.067 -3.614 -3.135 88 HB3 SER 16 2HB SER 16 7.239 -2.755 -2.137 89 HG SER 16 HG SER 16 8.478 -4.905 -2.666 90 H GLU 17 H GLU 17 7.150 -3.253 0.766 91 HA GLU 17 HA GLU 17 9.802 -4.418 1.080 92 HB2 GLU 17 1HB GLU 17 8.394 -2.039 2.238 93 HB3 GLU 17 2HB GLU 17 9.817 -2.688 3.041 94 HG2 GLU 17 1HG GLU 17 9.903 -2.048 0.126 95 HG3 GLU 17 2HG GLU 17 10.069 -0.767 1.326 96 H CYS 18 H CYS 18 7.103 -3.681 3.298 97 HA CYS 18 HA CYS 18 8.006 -5.772 5.103 98 HB2 CYS 18 1HB CYS 18 6.521 -4.863 6.697 99 HB3 CYS 18 2HB CYS 18 7.172 -3.470 5.839 100 H GLN 19 H GLN 19 6.014 -5.575 2.441 101 HA GLN 19 HA GLN 19 4.407 -6.909 1.536 102 HB2 GLN 19 1HB GLN 19 5.695 -8.885 3.423 103 HB3 GLN 19 2HB GLN 19 4.518 -9.328 2.194 104 HG2 GLN 19 1HG GLN 19 7.082 -7.912 1.541 105 HG3 GLN 19 2HG GLN 19 6.951 -9.668 1.613 106 HE21 GLN 19 1HE2 GLN 19 7.065 -7.233 -0.467 107 HE22 GLN 19 2HE2 GLN 19 6.082 -7.848 -1.748 108 H LYS 20 H LYS 20 3.444 -5.245 3.504 109 HA LYS 20 HA LYS 20 1.801 -6.760 5.337 110 HB2 LYS 20 1HB LYS 20 2.557 -4.710 6.217 111 HB3 LYS 20 2HB LYS 20 2.143 -3.829 4.752 112 HG2 LYS 20 1HG LYS 20 -0.139 -3.834 5.254 113 HG3 LYS 20 2HG LYS 20 0.037 -5.120 6.451 114 HD2 LYS 20 1HD LYS 20 1.451 -2.513 6.842 115 HD3 LYS 20 2HD LYS 20 -0.266 -2.650 7.229 116 HE2 LYS 20 1HE LYS 20 0.616 -3.225 9.250 117 HE3 LYS 20 2HE LYS 20 0.568 -4.818 8.496 118 HZ1 LYS 20 3HZ LYS 20 2.986 -3.465 7.871 119 HZ2 LYS 20 1HZ LYS 20 2.763 -4.968 8.616 120 HZ3 LYS 20 2HZ LYS 20 2.773 -3.556 9.547 121 H ALA 21 H ALA 21 -0.493 -6.747 5.357 122 HA ALA 21 HA ALA 21 -1.641 -6.754 2.682 123 HB1 ALA 21 3HB ALA 21 -3.500 -7.935 3.658 124 HB2 ALA 21 1HB ALA 21 -1.993 -8.669 4.209 125 HB3 ALA 21 2HB ALA 21 -2.902 -7.606 5.284 126 H PHE 22 H PHE 22 -3.302 -5.464 1.997 127 HA PHE 22 HA PHE 22 -4.397 -3.490 3.862 128 HB2 PHE 22 1HB PHE 22 -2.995 -2.865 1.264 129 HB3 PHE 22 2HB PHE 22 -4.100 -1.736 2.041 130 HD1 PHE 22 HD1 PHE 22 -3.521 -0.706 4.181 131 HD2 PHE 22 HD2 PHE 22 -0.807 -3.268 2.136 132 HE1 PHE 22 HE1 PHE 22 -1.681 0.130 5.584 133 HE2 PHE 22 HE2 PHE 22 1.038 -2.438 3.536 134 HZ PHE 22 HZ PHE 22 0.602 -0.737 5.264 135 H ASN 23 H ASN 23 -6.524 -3.201 3.617 136 HA ASN 23 HA ASN 23 -8.060 -4.808 1.932 137 HB2 ASN 23 1HB ASN 23 -8.896 -3.760 4.017 138 HB3 ASN 23 2HB ASN 23 -8.877 -2.192 3.216 139 HD21 ASN 23 1HD2 ASN 23 -10.655 -1.565 2.215 140 HD22 ASN 23 2HD2 ASN 23 -11.987 -2.582 1.794 141 H THR 24 H THR 24 -7.317 -1.337 1.651 142 HA THR 24 HA THR 24 -8.030 -1.513 -1.204 143 HB THR 24 HB THR 24 -8.601 0.874 -1.132 144 HG1 THR 24 HG1 THR 24 -7.918 1.995 0.517 145 HG21 THR 24 3HG2 THR 24 -10.618 -0.068 -0.837 146 HG22 THR 24 1HG2 THR 24 -10.456 0.442 0.843 147 HG23 THR 24 2HG2 THR 24 -10.012 -1.199 0.373 148 H LYS 25 H LYS 25 -6.782 -0.263 -2.679 149 HA LYS 25 HA LYS 25 -4.022 -0.378 -2.285 150 HB2 LYS 25 1HB LYS 25 -5.409 -0.189 -4.473 151 HB3 LYS 25 2HB LYS 25 -5.274 1.546 -4.222 152 HG2 LYS 25 1HG LYS 25 -2.988 1.552 -4.562 153 HG3 LYS 25 2HG LYS 25 -2.827 -0.167 -4.195 154 HD2 LYS 25 1HD LYS 25 -4.014 -0.704 -6.282 155 HD3 LYS 25 2HD LYS 25 -4.124 1.019 -6.651 156 HE2 LYS 25 1HE LYS 25 -1.648 1.133 -6.614 157 HE3 LYS 25 2HE LYS 25 -1.601 -0.613 -6.370 158 HZ1 LYS 25 3HZ LYS 25 -2.317 -1.020 -8.494 159 HZ2 LYS 25 1HZ LYS 25 -1.398 0.378 -8.745 160 HZ3 LYS 25 2HZ LYS 25 -3.084 0.478 -8.660 161 H SER 26 H SER 26 -6.144 2.486 -2.311 162 HA SER 26 HA SER 26 -4.372 4.485 -1.835 163 HB2 SER 26 1HB SER 26 -6.148 5.735 -0.812 164 HB3 SER 26 2HB SER 26 -6.875 4.706 -2.046 165 HG SER 26 HG SER 26 -7.946 3.695 -0.548 166 H ASN 27 H ASN 27 -5.656 2.219 0.556 167 HA ASN 27 HA ASN 27 -4.482 3.409 2.826 168 HB2 ASN 27 1HB ASN 27 -6.284 1.480 2.554 169 HB3 ASN 27 2HB ASN 27 -4.864 0.450 2.712 170 HD21 ASN 27 1HD2 ASN 27 -7.196 0.932 4.481 171 HD22 ASN 27 2HD2 ASN 27 -6.518 1.362 6.011 172 H LEU 28 H LEU 28 -3.384 0.765 0.722 173 HA LEU 28 HA LEU 28 -0.983 0.251 2.112 174 HB2 LEU 28 1HB LEU 28 -1.743 -1.431 0.667 175 HB3 LEU 28 2HB LEU 28 -1.922 -0.310 -0.681 176 HG LEU 28 HG LEU 28 0.532 -0.154 -0.846 177 HD11 LEU 28 1HD1 LEU 28 0.766 -2.480 1.012 178 HD12 LEU 28 2HD1 LEU 28 0.768 -0.837 1.649 179 HD13 LEU 28 3HD1 LEU 28 1.998 -1.332 0.487 180 HD21 LEU 28 3HD2 LEU 28 0.888 -2.548 -1.590 181 HD22 LEU 28 1HD2 LEU 28 -0.483 -1.703 -2.309 182 HD23 LEU 28 2HD2 LEU 28 -0.748 -2.871 -1.014 183 H ILE 29 H ILE 29 -1.807 2.457 -0.501 184 HA ILE 29 HA ILE 29 0.786 3.215 -1.250 185 HB ILE 29 HB ILE 29 -1.738 4.874 -1.304 186 HG12 ILE 29 1HG1 ILE 29 -0.454 3.287 -3.533 187 HG13 ILE 29 2HG1 ILE 29 -1.779 2.680 -2.546 188 HG21 ILE 29 1HG2 ILE 29 0.602 5.994 -1.511 189 HG22 ILE 29 2HG2 ILE 29 0.595 5.281 -3.123 190 HG23 ILE 29 3HG2 ILE 29 -0.673 6.413 -2.654 191 HD11 ILE 29 3HD1 ILE 29 -2.208 3.815 -4.869 192 HD12 ILE 29 1HD1 ILE 29 -3.311 4.060 -3.515 193 HD13 ILE 29 2HD1 ILE 29 -2.115 5.294 -3.913 194 H VAL 30 H VAL 30 -1.445 4.696 1.095 195 HA VAL 30 HA VAL 30 0.203 6.802 1.901 196 HB VAL 30 HB VAL 30 -1.810 5.314 3.594 197 HG11 VAL 30 1HG1 VAL 30 -1.062 8.198 3.891 198 HG12 VAL 30 2HG1 VAL 30 -1.817 7.113 5.060 199 HG13 VAL 30 3HG1 VAL 30 -0.107 6.936 4.668 200 HG21 VAL 30 3HG2 VAL 30 -3.455 6.284 2.445 201 HG22 VAL 30 1HG2 VAL 30 -2.656 7.855 2.494 202 HG23 VAL 30 2HG2 VAL 30 -2.248 6.698 1.228 203 H HIS 31 H HIS 31 0.172 3.431 2.826 204 HA HIS 31 HA HIS 31 1.908 3.769 5.087 205 HB2 HIS 31 1HB HIS 31 0.522 1.883 5.242 206 HB3 HIS 31 2HB HIS 31 0.848 1.392 3.583 207 HD1 HIS 31 HD1 HIS 31 2.258 1.225 7.040 208 HD2 HIS 31 HD2 HIS 31 3.174 -0.121 3.218 209 HE1 HIS 31 HE1 HIS 31 4.097 -0.463 7.345 210 H GLN 32 H GLN 32 2.333 2.294 1.867 211 HA GLN 32 HA GLN 32 4.895 1.547 1.828 212 HB2 GLN 32 1HB GLN 32 3.308 3.039 -0.231 213 HB3 GLN 32 2HB GLN 32 4.992 2.640 -0.544 214 HG2 GLN 32 1HG GLN 32 4.399 0.247 -0.031 215 HG3 GLN 32 2HG GLN 32 2.711 0.752 -0.050 216 HE21 GLN 32 1HE2 GLN 32 3.379 -1.145 -1.771 217 HE22 GLN 32 2HE2 GLN 32 3.466 -0.538 -3.386 218 H ARG 33 H ARG 33 3.877 4.931 1.392 219 HA ARG 33 HA ARG 33 6.218 6.214 0.987 220 HB2 ARG 33 1HB ARG 33 4.485 7.359 3.124 221 HB3 ARG 33 2HB ARG 33 5.203 8.142 1.723 222 HG2 ARG 33 1HG ARG 33 3.514 6.555 0.438 223 HG3 ARG 33 2HG ARG 33 2.649 6.662 1.973 224 HD2 ARG 33 1HD ARG 33 2.657 9.089 1.830 225 HD3 ARG 33 2HD ARG 33 3.583 9.014 0.332 226 HE ARG 33 HE ARG 33 1.050 7.616 0.292 227 HH11 ARG 33 1HH1 ARG 33 2.756 10.580 -0.359 228 HH12 ARG 33 2HH1 ARG 33 1.577 11.164 -1.487 229 HH21 ARG 33 1HH2 ARG 33 -0.509 8.373 -1.190 230 HH22 ARG 33 2HH2 ARG 33 -0.280 9.908 -1.958 231 H THR 34 H THR 34 5.019 5.137 4.152 232 HA THR 34 HA THR 34 6.869 6.127 5.867 233 HB THR 34 HB THR 34 6.566 4.165 7.280 234 HG1 THR 34 HG1 THR 34 6.660 2.689 5.356 235 HG21 THR 34 3HG2 THR 34 4.083 4.103 7.331 236 HG22 THR 34 1HG2 THR 34 4.062 4.976 5.800 237 HG23 THR 34 2HG2 THR 34 4.734 5.739 7.241 238 H HIS 35 H HIS 35 7.306 3.368 3.702 239 HA HIS 35 HA HIS 35 9.921 2.726 4.666 240 HB2 HIS 35 1HB HIS 35 8.530 1.946 2.095 241 HB3 HIS 35 2HB HIS 35 10.035 1.246 2.685 242 HD1 HIS 35 HD1 HIS 35 9.518 0.495 5.480 243 HD2 HIS 35 HD2 HIS 35 6.570 0.163 2.571 244 HE1 HIS 35 HE1 HIS 35 7.880 -1.193 6.371 245 H THR 36 H THR 36 8.683 4.399 1.787 246 HA THR 36 HA THR 36 11.331 5.060 0.864 247 HB THR 36 HB THR 36 10.192 6.342 -0.896 248 HG1 THR 36 HG1 THR 36 8.370 7.152 -0.010 249 HG21 THR 36 3HG2 THR 36 8.666 4.355 -1.687 250 HG22 THR 36 1HG2 THR 36 9.385 3.529 -0.305 251 HG23 THR 36 2HG2 THR 36 10.415 4.157 -1.591 252 H GLY 37 H GLY 37 12.403 6.398 2.238 253 HA2 GLY 37 1HA GLY 37 11.419 9.130 2.419 254 HA3 GLY 37 2HA GLY 37 11.630 8.295 3.951 255 H GLU 38 H GLU 38 13.180 9.923 1.353 256 HA GLU 38 HA GLU 38 15.733 9.716 2.791 257 HB2 GLU 38 1HB GLU 38 16.976 9.444 0.763 258 HB3 GLU 38 2HB GLU 38 15.724 8.210 0.790 259 HG2 GLU 38 1HG GLU 38 14.355 9.599 -0.709 260 HG3 GLU 38 2HG GLU 38 15.661 10.781 -0.774 261 H LYS 39 H LYS 39 16.976 11.558 2.820 262 HA LYS 39 HA LYS 39 15.640 13.983 1.846 263 HB2 LYS 39 1HB LYS 39 17.760 13.587 3.963 264 HB3 LYS 39 2HB LYS 39 17.166 15.160 3.447 265 HG2 LYS 39 1HG LYS 39 14.996 14.716 4.295 266 HG3 LYS 39 2HG LYS 39 15.380 13.014 4.562 267 HD2 LYS 39 1HD LYS 39 17.115 13.748 6.207 268 HD3 LYS 39 2HD LYS 39 16.510 15.397 6.025 269 HE2 LYS 39 1HE LYS 39 14.889 13.024 6.945 270 HE3 LYS 39 2HE LYS 39 15.566 14.267 7.995 271 HZ1 LYS 39 3HZ LYS 39 13.810 15.065 5.779 272 HZ2 LYS 39 1HZ LYS 39 14.073 15.825 7.268 273 HZ3 LYS 39 2HZ LYS 39 13.119 14.431 7.186 274 HA PRO 40 HA PRO 40 18.709 14.619 -1.244 275 HB2 PRO 40 1HB PRO 40 18.471 17.307 -1.542 276 HB3 PRO 40 2HB PRO 40 17.267 16.163 -2.147 277 HG2 PRO 40 1HG PRO 40 17.236 17.796 0.362 278 HG3 PRO 40 2HG PRO 40 15.922 17.486 -0.787 279 HD2 PRO 40 1HD PRO 40 16.147 16.157 1.561 280 HD3 PRO 40 2HD PRO 40 15.464 15.410 0.103 281 H SER 41 H SER 41 20.825 14.505 -0.855 282 HA SER 41 HA SER 41 22.025 15.991 1.321 283 HB2 SER 41 1HB SER 41 22.542 13.538 0.485 284 HB3 SER 41 2HB SER 41 23.645 14.376 -0.606 285 HG SER 41 HG SER 41 23.748 15.178 2.036 286 H GLY 42 H GLY 42 24.337 16.893 0.766 287 HA2 GLY 42 1HA GLY 42 23.888 18.940 -1.266 288 HA3 GLY 42 2HA GLY 42 25.142 18.953 -0.034 289 HA PRO 43 HA PRO 43 27.893 17.948 -3.345 290 HB2 PRO 43 1HB PRO 43 30.093 17.486 -1.823 291 HB3 PRO 43 2HB PRO 43 29.483 19.110 -2.161 292 HG2 PRO 43 1HG PRO 43 29.100 17.411 0.274 293 HG3 PRO 43 2HG PRO 43 29.460 19.144 0.164 294 HD2 PRO 43 1HD PRO 43 26.966 18.202 0.640 295 HD3 PRO 43 2HD PRO 43 27.265 19.702 -0.262 296 H SER 44 H SER 44 26.548 15.837 -1.193 297 HA SER 44 HA SER 44 28.255 13.565 -1.588 298 HB2 SER 44 1HB SER 44 25.590 14.032 -0.305 299 HB3 SER 44 2HB SER 44 26.081 12.381 -0.682 300 HG SER 44 HG SER 44 27.732 12.533 0.719 301 H SER 45 H SER 45 27.867 14.472 -4.061 302 HA SER 45 HA SER 45 25.965 12.552 -5.237 303 HB2 SER 45 1HB SER 45 26.470 15.420 -5.881 304 HB3 SER 45 2HB SER 45 26.106 14.328 -7.217 305 HG SER 45 HG SER 45 24.130 14.840 -6.607 306 H GLY 46 H GLY 46 28.918 14.436 -5.892 307 HA2 GLY 46 1HA GLY 46 29.873 13.317 -8.156 308 HA3 GLY 46 2HA GLY 46 30.921 13.720 -6.805 Start of MODEL 8 1 H1 GLY 1 H GLY 1 9.498 -27.300 14.583 2 HA2 GLY 1 1HA GLY 1 7.510 -29.045 14.853 3 HA3 GLY 1 2HA GLY 1 7.461 -28.270 16.429 4 H SER 2 H SER 2 7.639 -27.342 12.990 5 HA SER 2 HA SER 2 6.252 -24.871 13.493 6 HB2 SER 2 1HB SER 2 6.432 -24.522 11.072 7 HB3 SER 2 2HB SER 2 7.981 -25.033 11.741 8 HG SER 2 HG SER 2 7.317 -27.213 11.078 9 H SER 3 H SER 3 4.130 -24.655 13.646 10 HA SER 3 HA SER 3 2.404 -26.522 12.162 11 HB2 SER 3 1HB SER 3 2.293 -25.729 15.050 12 HB3 SER 3 2HB SER 3 0.796 -26.113 14.200 13 HG SER 3 HG SER 3 1.435 -28.161 13.957 14 H GLY 4 H GLY 4 0.713 -25.638 11.089 15 HA2 GLY 4 1HA GLY 4 -0.922 -23.623 11.413 16 HA3 GLY 4 2HA GLY 4 0.549 -22.710 11.115 17 H SER 5 H SER 5 -2.158 -23.513 9.661 18 HA SER 5 HA SER 5 -1.073 -24.421 7.122 19 HB2 SER 5 1HB SER 5 -3.471 -24.352 6.390 20 HB3 SER 5 2HB SER 5 -3.181 -25.393 7.784 21 HG SER 5 HG SER 5 -4.595 -24.230 8.789 22 H SER 6 H SER 6 -0.485 -23.115 5.525 23 HA SER 6 HA SER 6 -0.372 -20.344 5.752 24 HB2 SER 6 1HB SER 6 0.933 -21.879 4.165 25 HB3 SER 6 2HB SER 6 -0.467 -21.773 3.097 26 HG SER 6 HG SER 6 0.451 -19.356 4.055 27 H GLY 7 H GLY 7 -2.503 -22.207 3.571 28 HA2 GLY 7 1HA GLY 7 -4.772 -21.827 3.152 29 HA3 GLY 7 2HA GLY 7 -4.678 -20.353 4.105 30 H THR 8 H THR 8 -5.745 -21.004 1.353 31 HA THR 8 HA THR 8 -4.064 -19.328 -0.341 32 HB THR 8 HB THR 8 -6.685 -20.558 -1.165 33 HG1 THR 8 HG1 THR 8 -4.883 -22.019 -0.205 34 HG21 THR 8 3HG2 THR 8 -4.174 -19.805 -2.665 35 HG22 THR 8 1HG2 THR 8 -5.718 -18.955 -2.711 36 HG23 THR 8 2HG2 THR 8 -5.587 -20.582 -3.379 37 H GLY 9 H GLY 9 -5.096 -17.883 1.749 38 HA2 GLY 9 1HA GLY 9 -7.060 -16.172 0.362 39 HA3 GLY 9 2HA GLY 9 -7.243 -16.562 2.065 40 H GLU 10 H GLU 10 -5.820 -14.474 -0.212 41 HA GLU 10 HA GLU 10 -4.380 -13.095 1.956 42 HB2 GLU 10 1HB GLU 10 -2.620 -12.479 0.458 43 HB3 GLU 10 2HB GLU 10 -2.843 -14.217 0.326 44 HG2 GLU 10 1HG GLU 10 -4.344 -13.666 -1.682 45 HG3 GLU 10 2HG GLU 10 -3.588 -12.075 -1.624 46 H LYS 11 H LYS 11 -3.930 -10.745 1.334 47 HA LYS 11 HA LYS 11 -6.453 -9.542 0.631 48 HB2 LYS 11 1HB LYS 11 -3.814 -8.493 1.609 49 HB3 LYS 11 2HB LYS 11 -5.047 -7.392 1.010 50 HG2 LYS 11 1HG LYS 11 -5.530 -9.380 3.213 51 HG3 LYS 11 2HG LYS 11 -5.012 -7.716 3.490 52 HD2 LYS 11 1HD LYS 11 -7.027 -6.836 2.832 53 HD3 LYS 11 2HD LYS 11 -7.397 -8.198 1.772 54 HE2 LYS 11 1HE LYS 11 -7.322 -8.441 4.770 55 HE3 LYS 11 2HE LYS 11 -8.782 -7.991 3.890 56 HZ1 LYS 11 3HZ LYS 11 -8.337 -10.460 4.460 57 HZ2 LYS 11 1HZ LYS 11 -7.310 -10.417 3.117 58 HZ3 LYS 11 2HZ LYS 11 -8.953 -10.059 2.937 59 HA PRO 12 HA PRO 12 -5.687 -8.580 -3.584 60 HB2 PRO 12 1HB PRO 12 -6.950 -6.189 -3.822 61 HB3 PRO 12 2HB PRO 12 -7.816 -7.720 -3.653 62 HG2 PRO 12 1HG PRO 12 -7.192 -5.658 -1.575 63 HG3 PRO 12 2HG PRO 12 -8.698 -6.554 -1.845 64 HD2 PRO 12 1HD PRO 12 -6.925 -7.235 0.085 65 HD3 PRO 12 2HD PRO 12 -7.921 -8.435 -0.763 66 H PHE 13 H PHE 13 -4.701 -6.339 -1.110 67 HA PHE 13 HA PHE 13 -2.654 -5.280 -2.941 68 HB2 PHE 13 1HB PHE 13 -3.955 -3.676 -0.737 69 HB3 PHE 13 2HB PHE 13 -2.845 -3.093 -1.973 70 HD1 PHE 13 HD1 PHE 13 -3.604 -3.019 -4.354 71 HD2 PHE 13 HD2 PHE 13 -6.269 -3.780 -1.124 72 HE1 PHE 13 HE1 PHE 13 -5.512 -2.441 -5.797 73 HE2 PHE 13 HE2 PHE 13 -8.181 -3.205 -2.562 74 HZ PHE 13 HZ PHE 13 -7.804 -2.535 -4.901 75 H GLU 14 H GLU 14 -0.737 -5.989 -2.299 76 HA GLU 14 HA GLU 14 -0.186 -6.116 0.592 77 HB2 GLU 14 1HB GLU 14 -0.376 -8.372 -0.344 78 HB3 GLU 14 2HB GLU 14 0.832 -7.980 -1.559 79 HG2 GLU 14 1HG GLU 14 2.333 -7.452 0.500 80 HG3 GLU 14 2HG GLU 14 1.173 -8.461 1.362 81 H CYS 15 H CYS 15 1.609 -5.116 1.298 82 HA CYS 15 HA CYS 15 2.938 -3.239 -0.279 83 HB2 CYS 15 1HB CYS 15 2.769 -3.419 2.294 84 HB3 CYS 15 2HB CYS 15 4.184 -4.459 2.172 85 H SER 16 H SER 16 5.381 -3.181 -0.550 86 HA SER 16 HA SER 16 6.246 -5.749 -1.698 87 HB2 SER 16 1HB SER 16 6.933 -2.900 -2.428 88 HB3 SER 16 2HB SER 16 7.826 -4.286 -3.051 89 HG SER 16 HG SER 16 5.084 -3.677 -3.424 90 H GLU 17 H GLU 17 7.063 -3.212 0.528 91 HA GLU 17 HA GLU 17 9.777 -4.147 0.912 92 HB2 GLU 17 1HB GLU 17 8.119 -1.984 2.195 93 HB3 GLU 17 2HB GLU 17 9.708 -2.423 2.807 94 HG2 GLU 17 1HG GLU 17 9.034 -1.309 0.099 95 HG3 GLU 17 2HG GLU 17 9.956 -0.533 1.385 96 H CYS 18 H CYS 18 7.066 -3.652 3.180 97 HA CYS 18 HA CYS 18 8.155 -5.697 4.932 98 HB2 CYS 18 1HB CYS 18 6.439 -4.989 6.509 99 HB3 CYS 18 2HB CYS 18 7.292 -3.584 5.878 100 H GLN 19 H GLN 19 5.839 -5.442 2.447 101 HA GLN 19 HA GLN 19 4.425 -6.955 1.503 102 HB2 GLN 19 1HB GLN 19 5.587 -8.944 3.457 103 HB3 GLN 19 2HB GLN 19 4.712 -9.311 1.977 104 HG2 GLN 19 1HG GLN 19 6.659 -7.863 0.914 105 HG3 GLN 19 2HG GLN 19 7.506 -8.410 2.361 106 HE21 GLN 19 1HE2 GLN 19 6.057 -9.349 -0.645 107 HE22 GLN 19 2HE2 GLN 19 6.692 -10.956 -0.687 108 H LYS 20 H LYS 20 3.625 -5.338 3.765 109 HA LYS 20 HA LYS 20 2.027 -6.833 5.565 110 HB2 LYS 20 1HB LYS 20 2.773 -4.559 6.072 111 HB3 LYS 20 2HB LYS 20 1.825 -3.933 4.729 112 HG2 LYS 20 1HG LYS 20 -0.208 -4.378 5.813 113 HG3 LYS 20 2HG LYS 20 0.564 -5.426 7.005 114 HD2 LYS 20 1HD LYS 20 1.885 -3.292 7.658 115 HD3 LYS 20 2HD LYS 20 0.595 -2.437 6.807 116 HE2 LYS 20 1HE LYS 20 -0.987 -3.866 8.273 117 HE3 LYS 20 2HE LYS 20 0.439 -4.129 9.275 118 HZ1 LYS 20 3HZ LYS 20 0.547 -1.505 9.025 119 HZ2 LYS 20 1HZ LYS 20 -0.331 -2.263 10.257 120 HZ3 LYS 20 2HZ LYS 20 -1.126 -1.705 8.872 121 H ALA 21 H ALA 21 -0.370 -6.618 5.708 122 HA ALA 21 HA ALA 21 -1.547 -7.007 3.043 123 HB1 ALA 21 3HB ALA 21 -2.124 -8.933 4.064 124 HB2 ALA 21 1HB ALA 21 -1.996 -8.241 5.681 125 HB3 ALA 21 2HB ALA 21 -3.440 -7.951 4.709 126 H PHE 22 H PHE 22 -3.082 -5.677 2.296 127 HA PHE 22 HA PHE 22 -4.403 -3.851 4.182 128 HB2 PHE 22 1HB PHE 22 -3.014 -3.148 1.602 129 HB3 PHE 22 2HB PHE 22 -4.250 -2.109 2.304 130 HD1 PHE 22 HD1 PHE 22 -3.869 -1.058 4.510 131 HD2 PHE 22 HD2 PHE 22 -0.819 -3.228 2.485 132 HE1 PHE 22 HE1 PHE 22 -2.172 -0.011 5.952 133 HE2 PHE 22 HE2 PHE 22 0.883 -2.186 3.924 134 HZ PHE 22 HZ PHE 22 0.207 -0.576 5.661 135 H ASN 23 H ASN 23 -6.421 -2.944 3.381 136 HA ASN 23 HA ASN 23 -7.856 -4.898 1.758 137 HB2 ASN 23 1HB ASN 23 -9.836 -4.094 2.724 138 HB3 ASN 23 2HB ASN 23 -8.663 -3.986 4.034 139 HD21 ASN 23 1HD2 ASN 23 -11.138 -2.428 2.704 140 HD22 ASN 23 2HD2 ASN 23 -10.711 -0.789 3.048 141 H THR 24 H THR 24 -7.291 -1.396 1.882 142 HA THR 24 HA THR 24 -8.222 -1.218 -0.908 143 HB THR 24 HB THR 24 -8.494 1.232 -0.460 144 HG1 THR 24 HG1 THR 24 -8.637 1.713 1.882 145 HG21 THR 24 3HG2 THR 24 -10.567 0.326 -0.358 146 HG22 THR 24 1HG2 THR 24 -10.416 0.703 1.358 147 HG23 THR 24 2HG2 THR 24 -10.079 -0.929 0.780 148 H LYS 25 H LYS 25 -7.035 0.062 -2.385 149 HA LYS 25 HA LYS 25 -4.220 -0.169 -2.136 150 HB2 LYS 25 1HB LYS 25 -5.660 -0.152 -4.272 151 HB3 LYS 25 2HB LYS 25 -5.610 1.601 -4.134 152 HG2 LYS 25 1HG LYS 25 -3.312 1.686 -4.510 153 HG3 LYS 25 2HG LYS 25 -3.095 -0.026 -4.141 154 HD2 LYS 25 1HD LYS 25 -2.908 0.204 -6.500 155 HD3 LYS 25 2HD LYS 25 -4.480 -0.532 -6.181 156 HE2 LYS 25 1HE LYS 25 -5.373 1.886 -6.240 157 HE3 LYS 25 2HE LYS 25 -3.844 2.274 -7.028 158 HZ1 LYS 25 3HZ LYS 25 -4.360 0.650 -8.743 159 HZ2 LYS 25 1HZ LYS 25 -5.579 1.818 -8.643 160 HZ3 LYS 25 2HZ LYS 25 -5.827 0.280 -7.986 161 H SER 26 H SER 26 -6.285 2.731 -2.393 162 HA SER 26 HA SER 26 -4.525 4.738 -2.088 163 HB2 SER 26 1HB SER 26 -6.266 5.994 -0.841 164 HB3 SER 26 2HB SER 26 -6.924 5.142 -2.238 165 HG SER 26 HG SER 26 -7.028 4.272 0.464 166 H ASN 27 H ASN 27 -5.778 2.762 0.581 167 HA ASN 27 HA ASN 27 -4.373 4.090 2.635 168 HB2 ASN 27 1HB ASN 27 -5.799 1.488 2.365 169 HB3 ASN 27 2HB ASN 27 -4.698 1.676 3.727 170 HD21 ASN 27 1HD2 ASN 27 -5.631 2.352 5.502 171 HD22 ASN 27 2HD2 ASN 27 -7.017 3.379 5.605 172 H LEU 28 H LEU 28 -3.577 1.302 0.618 173 HA LEU 28 HA LEU 28 -1.212 0.554 1.949 174 HB2 LEU 28 1HB LEU 28 -2.136 -1.016 0.474 175 HB3 LEU 28 2HB LEU 28 -2.228 0.150 -0.844 176 HG LEU 28 HG LEU 28 0.219 0.085 -1.055 177 HD11 LEU 28 1HD1 LEU 28 1.235 -2.009 0.162 178 HD12 LEU 28 2HD1 LEU 28 -0.051 -1.683 1.324 179 HD13 LEU 28 3HD1 LEU 28 1.150 -0.442 0.967 180 HD21 LEU 28 3HD2 LEU 28 -1.083 -2.635 -1.144 181 HD22 LEU 28 1HD2 LEU 28 0.378 -2.154 -2.006 182 HD23 LEU 28 2HD2 LEU 28 -1.168 -1.407 -2.408 183 H ILE 29 H ILE 29 -1.683 2.537 -0.974 184 HA ILE 29 HA ILE 29 0.927 3.171 -1.545 185 HB ILE 29 HB ILE 29 -1.445 5.030 -1.743 186 HG12 ILE 29 1HG1 ILE 29 -0.260 3.352 -3.946 187 HG13 ILE 29 2HG1 ILE 29 -1.530 2.732 -2.896 188 HG21 ILE 29 1HG2 ILE 29 1.348 5.171 -2.793 189 HG22 ILE 29 2HG2 ILE 29 0.026 5.901 -3.703 190 HG23 ILE 29 3HG2 ILE 29 0.361 6.434 -2.056 191 HD11 ILE 29 3HD1 ILE 29 -3.016 3.648 -4.246 192 HD12 ILE 29 1HD1 ILE 29 -2.409 5.239 -3.788 193 HD13 ILE 29 2HD1 ILE 29 -1.740 4.411 -5.195 194 H VAL 30 H VAL 30 -1.257 4.967 0.623 195 HA VAL 30 HA VAL 30 0.614 6.898 1.434 196 HB VAL 30 HB VAL 30 -1.776 5.836 2.947 197 HG11 VAL 30 1HG1 VAL 30 0.222 7.893 3.570 198 HG12 VAL 30 2HG1 VAL 30 -1.455 8.413 3.745 199 HG13 VAL 30 3HG1 VAL 30 -0.868 7.007 4.636 200 HG21 VAL 30 3HG2 VAL 30 -2.771 6.733 1.106 201 HG22 VAL 30 1HG2 VAL 30 -2.585 8.206 2.058 202 HG23 VAL 30 2HG2 VAL 30 -1.430 7.831 0.778 203 H HIS 31 H HIS 31 0.144 3.603 2.383 204 HA HIS 31 HA HIS 31 1.579 3.803 4.865 205 HB2 HIS 31 1HB HIS 31 0.139 2.011 4.951 206 HB3 HIS 31 2HB HIS 31 0.377 1.600 3.255 207 HD1 HIS 31 HD1 HIS 31 2.307 1.417 6.525 208 HD2 HIS 31 HD2 HIS 31 2.007 -0.530 2.867 209 HE1 HIS 31 HE1 HIS 31 3.813 -0.589 6.706 210 H GLN 32 H GLN 32 2.300 2.402 1.670 211 HA GLN 32 HA GLN 32 4.805 1.429 2.034 212 HB2 GLN 32 1HB GLN 32 3.621 2.924 -0.290 213 HB3 GLN 32 2HB GLN 32 5.265 2.303 -0.354 214 HG2 GLN 32 1HG GLN 32 4.362 0.041 0.148 215 HG3 GLN 32 2HG GLN 32 2.738 0.714 0.011 216 HE21 GLN 32 1HE2 GLN 32 3.228 -1.294 -1.601 217 HE22 GLN 32 2HE2 GLN 32 3.493 -0.776 -3.228 218 H ARG 33 H ARG 33 3.931 4.828 1.613 219 HA ARG 33 HA ARG 33 6.426 5.971 1.352 220 HB2 ARG 33 1HB ARG 33 4.465 7.323 3.142 221 HB3 ARG 33 2HB ARG 33 5.422 7.984 1.824 222 HG2 ARG 33 1HG ARG 33 3.852 6.406 0.388 223 HG3 ARG 33 2HG ARG 33 2.780 6.646 1.769 224 HD2 ARG 33 1HD ARG 33 4.106 8.902 0.280 225 HD3 ARG 33 2HD ARG 33 2.503 8.286 -0.119 226 HE ARG 33 HE ARG 33 2.543 8.898 2.605 227 HH11 ARG 33 1HH1 ARG 33 2.747 10.523 -0.468 228 HH12 ARG 33 2HH1 ARG 33 2.051 11.997 0.119 229 HH21 ARG 33 1HH2 ARG 33 1.626 10.834 3.388 230 HH22 ARG 33 2HH2 ARG 33 1.414 12.173 2.312 231 H THR 34 H THR 34 4.790 4.887 4.281 232 HA THR 34 HA THR 34 6.283 5.950 6.285 233 HB THR 34 HB THR 34 5.865 3.941 7.610 234 HG1 THR 34 HG1 THR 34 5.908 2.101 6.578 235 HG21 THR 34 3HG2 THR 34 3.687 4.961 5.826 236 HG22 THR 34 1HG2 THR 34 3.949 5.251 7.545 237 HG23 THR 34 2HG2 THR 34 3.351 3.685 6.995 238 H HIS 35 H HIS 35 7.248 3.387 4.083 239 HA HIS 35 HA HIS 35 9.742 2.926 5.487 240 HB2 HIS 35 1HB HIS 35 9.135 1.841 2.758 241 HB3 HIS 35 2HB HIS 35 10.074 1.114 4.059 242 HD1 HIS 35 HD1 HIS 35 8.480 0.477 6.253 243 HD2 HIS 35 HD2 HIS 35 6.668 0.769 2.526 244 HE1 HIS 35 HE1 HIS 35 6.309 -0.774 6.462 245 H THR 36 H THR 36 10.011 5.419 5.078 246 HA THR 36 HA THR 36 10.595 6.716 2.830 247 HB THR 36 HB THR 36 11.059 7.876 4.822 248 HG1 THR 36 HG1 THR 36 12.766 8.868 4.050 249 HG21 THR 36 3HG2 THR 36 12.075 5.451 5.729 250 HG22 THR 36 1HG2 THR 36 12.003 6.964 6.630 251 HG23 THR 36 2HG2 THR 36 13.462 6.540 5.736 252 H GLY 37 H GLY 37 12.159 6.833 1.254 253 HA2 GLY 37 1HA GLY 37 13.954 4.501 1.107 254 HA3 GLY 37 2HA GLY 37 13.358 5.410 -0.274 255 H GLU 38 H GLU 38 15.169 6.073 2.731 256 HA GLU 38 HA GLU 38 17.000 7.730 1.124 257 HB2 GLU 38 1HB GLU 38 17.480 8.960 3.223 258 HB3 GLU 38 2HB GLU 38 15.800 9.087 2.722 259 HG2 GLU 38 1HG GLU 38 15.182 7.380 4.356 260 HG3 GLU 38 2HG GLU 38 16.866 7.256 4.860 261 H LYS 39 H LYS 39 17.675 5.224 0.938 262 HA LYS 39 HA LYS 39 19.838 4.846 2.904 263 HB2 LYS 39 1HB LYS 39 17.945 3.166 3.031 264 HB3 LYS 39 2HB LYS 39 18.429 2.619 1.431 265 HG2 LYS 39 1HG LYS 39 20.637 2.034 2.297 266 HG3 LYS 39 2HG LYS 39 20.150 2.581 3.903 267 HD2 LYS 39 1HD LYS 39 18.500 0.860 4.065 268 HD3 LYS 39 2HD LYS 39 18.726 0.409 2.373 269 HE2 LYS 39 1HE LYS 39 19.883 -1.214 3.636 270 HE3 LYS 39 2HE LYS 39 21.120 -0.143 2.980 271 HZ1 LYS 39 3HZ LYS 39 21.637 0.659 5.015 272 HZ2 LYS 39 1HZ LYS 39 21.053 -0.848 5.516 273 HZ3 LYS 39 2HZ LYS 39 20.062 0.518 5.615 274 HA PRO 40 HA PRO 40 21.642 5.347 -1.347 275 HB2 PRO 40 1HB PRO 40 23.612 7.044 -0.565 276 HB3 PRO 40 2HB PRO 40 21.994 7.594 -1.016 277 HG2 PRO 40 1HG PRO 40 23.151 7.145 1.708 278 HG3 PRO 40 2HG PRO 40 22.140 8.481 1.129 279 HD2 PRO 40 1HD PRO 40 21.143 6.422 2.576 280 HD3 PRO 40 2HD PRO 40 20.193 7.265 1.335 281 H SER 41 H SER 41 22.254 3.104 -1.049 282 HA SER 41 HA SER 41 25.025 2.833 -0.091 283 HB2 SER 41 1HB SER 41 23.181 1.755 1.373 284 HB3 SER 41 2HB SER 41 23.050 0.568 0.075 285 HG SER 41 HG SER 41 25.493 0.495 0.395 286 H GLY 42 H GLY 42 26.419 1.848 -1.445 287 HA2 GLY 42 1HA GLY 42 26.224 1.685 -4.092 288 HA3 GLY 42 2HA GLY 42 27.137 0.481 -3.195 289 HA PRO 43 HA PRO 43 22.732 -1.209 -4.450 290 HB2 PRO 43 1HB PRO 43 21.978 -0.318 -6.901 291 HB3 PRO 43 2HB PRO 43 21.501 0.483 -5.399 292 HG2 PRO 43 1HG PRO 43 23.698 1.188 -7.307 293 HG3 PRO 43 2HG PRO 43 22.539 2.254 -6.492 294 HD2 PRO 43 1HD PRO 43 25.084 1.935 -5.625 295 HD3 PRO 43 2HD PRO 43 23.732 2.250 -4.519 296 H SER 44 H SER 44 22.280 -2.914 -5.990 297 HA SER 44 HA SER 44 24.556 -3.574 -7.737 298 HB2 SER 44 1HB SER 44 23.281 -5.197 -5.588 299 HB3 SER 44 2HB SER 44 23.798 -6.039 -7.049 300 HG SER 44 HG SER 44 25.547 -4.251 -5.766 301 H SER 45 H SER 45 23.873 -5.562 -9.169 302 HA SER 45 HA SER 45 22.018 -4.718 -11.012 303 HB2 SER 45 1HB SER 45 23.671 -6.499 -11.441 304 HB3 SER 45 2HB SER 45 22.757 -7.591 -10.401 305 HG SER 45 HG SER 45 21.093 -6.552 -12.197 306 H GLY 46 H GLY 46 21.494 -7.208 -8.509 307 HA2 GLY 46 1HA GLY 46 19.509 -7.310 -7.190 308 HA3 GLY 46 2HA GLY 46 18.660 -6.438 -8.458 Start of MODEL 9 1 H1 GLY 1 H GLY 1 8.619 -33.057 15.650 2 HA2 GLY 1 1HA GLY 1 7.377 -31.587 17.043 3 HA3 GLY 1 2HA GLY 1 8.042 -30.538 15.800 4 H SER 2 H SER 2 6.413 -29.047 15.742 5 HA SER 2 HA SER 2 3.920 -29.955 14.516 6 HB2 SER 2 1HB SER 2 3.575 -29.782 17.006 7 HB3 SER 2 2HB SER 2 3.926 -28.059 16.873 8 HG SER 2 HG SER 2 1.641 -28.705 16.782 9 H SER 3 H SER 3 2.632 -28.109 13.659 10 HA SER 3 HA SER 3 3.880 -25.561 13.325 11 HB2 SER 3 1HB SER 3 5.108 -27.204 11.725 12 HB3 SER 3 2HB SER 3 3.632 -27.117 10.764 13 HG SER 3 HG SER 3 4.733 -25.460 9.974 14 H GLY 4 H GLY 4 2.536 -24.045 12.259 15 HA2 GLY 4 1HA GLY 4 0.251 -24.471 10.810 16 HA3 GLY 4 2HA GLY 4 -0.259 -24.651 12.482 17 H SER 5 H SER 5 0.006 -22.508 9.995 18 HA SER 5 HA SER 5 0.068 -20.212 11.843 19 HB2 SER 5 1HB SER 5 1.353 -20.612 9.183 20 HB3 SER 5 2HB SER 5 0.733 -19.004 9.559 21 HG SER 5 HG SER 5 2.294 -20.320 11.473 22 H SER 6 H SER 6 -1.031 -18.238 10.785 23 HA SER 6 HA SER 6 -3.727 -19.032 10.151 24 HB2 SER 6 1HB SER 6 -4.294 -16.714 10.399 25 HB3 SER 6 2HB SER 6 -3.131 -17.103 11.667 26 HG SER 6 HG SER 6 -2.667 -15.126 10.550 27 H GLY 7 H GLY 7 -4.855 -18.654 8.260 28 HA2 GLY 7 1HA GLY 7 -3.882 -17.195 6.053 29 HA3 GLY 7 2HA GLY 7 -3.463 -18.889 5.844 30 H THR 8 H THR 8 -6.316 -17.042 6.932 31 HA THR 8 HA THR 8 -8.117 -18.964 5.795 32 HB THR 8 HB THR 8 -9.889 -17.306 6.425 33 HG1 THR 8 HG1 THR 8 -7.826 -15.858 7.720 34 HG21 THR 8 3HG2 THR 8 -9.407 -18.967 8.036 35 HG22 THR 8 1HG2 THR 8 -9.393 -17.440 8.917 36 HG23 THR 8 2HG2 THR 8 -7.873 -18.213 8.469 37 H GLY 9 H GLY 9 -7.511 -15.508 5.113 38 HA2 GLY 9 1HA GLY 9 -8.296 -16.052 2.317 39 HA3 GLY 9 2HA GLY 9 -8.843 -14.614 3.167 40 H GLU 10 H GLU 10 -7.711 -13.949 0.967 41 HA GLU 10 HA GLU 10 -5.010 -13.072 1.722 42 HB2 GLU 10 1HB GLU 10 -5.119 -15.002 -0.004 43 HB3 GLU 10 2HB GLU 10 -5.679 -13.767 -1.122 44 HG2 GLU 10 1HG GLU 10 -3.659 -12.726 -1.212 45 HG3 GLU 10 2HG GLU 10 -3.208 -13.216 0.420 46 H LYS 11 H LYS 11 -4.453 -11.009 1.114 47 HA LYS 11 HA LYS 11 -6.673 -9.333 0.212 48 HB2 LYS 11 1HB LYS 11 -4.106 -8.799 1.671 49 HB3 LYS 11 2HB LYS 11 -4.958 -7.484 0.872 50 HG2 LYS 11 1HG LYS 11 -5.677 -7.440 3.102 51 HG3 LYS 11 2HG LYS 11 -6.998 -8.185 2.200 52 HD2 LYS 11 1HD LYS 11 -5.837 -10.416 2.831 53 HD3 LYS 11 2HD LYS 11 -5.028 -9.451 4.068 54 HE2 LYS 11 1HE LYS 11 -7.284 -8.700 4.838 55 HE3 LYS 11 2HE LYS 11 -7.995 -9.851 3.708 56 HZ1 LYS 11 3HZ LYS 11 -7.371 -10.406 6.259 57 HZ2 LYS 11 1HZ LYS 11 -5.992 -10.973 5.459 58 HZ3 LYS 11 2HZ LYS 11 -7.518 -11.568 5.038 59 HA PRO 12 HA PRO 12 -4.991 -8.797 -3.821 60 HB2 PRO 12 1HB PRO 12 -6.161 -6.432 -4.461 61 HB3 PRO 12 2HB PRO 12 -7.050 -7.959 -4.404 62 HG2 PRO 12 1HG PRO 12 -6.890 -5.783 -2.354 63 HG3 PRO 12 2HG PRO 12 -8.303 -6.705 -2.900 64 HD2 PRO 12 1HD PRO 12 -7.001 -7.267 -0.594 65 HD3 PRO 12 2HD PRO 12 -7.791 -8.519 -1.573 66 H PHE 13 H PHE 13 -4.743 -6.192 -1.459 67 HA PHE 13 HA PHE 13 -2.446 -5.086 -2.914 68 HB2 PHE 13 1HB PHE 13 -3.972 -3.894 -0.590 69 HB3 PHE 13 2HB PHE 13 -2.719 -3.096 -1.535 70 HD1 PHE 13 HD1 PHE 13 -3.159 -2.400 -3.842 71 HD2 PHE 13 HD2 PHE 13 -6.207 -4.090 -1.399 72 HE1 PHE 13 HE1 PHE 13 -4.869 -1.556 -5.397 73 HE2 PHE 13 HE2 PHE 13 -7.921 -3.250 -2.950 74 HZ PHE 13 HZ PHE 13 -7.253 -1.981 -4.953 75 H GLU 14 H GLU 14 -0.466 -5.565 -2.252 76 HA GLU 14 HA GLU 14 0.021 -6.055 0.594 77 HB2 GLU 14 1HB GLU 14 -0.311 -8.239 -0.647 78 HB3 GLU 14 2HB GLU 14 1.148 -7.856 -1.549 79 HG2 GLU 14 1HG GLU 14 2.520 -8.183 0.255 80 HG3 GLU 14 2HG GLU 14 1.250 -7.827 1.424 81 H CYS 15 H CYS 15 1.826 -5.112 1.325 82 HA CYS 15 HA CYS 15 3.271 -3.302 -0.249 83 HB2 CYS 15 1HB CYS 15 2.991 -3.476 2.344 84 HB3 CYS 15 2HB CYS 15 4.435 -4.480 2.252 85 H SER 16 H SER 16 5.684 -3.333 -0.513 86 HA SER 16 HA SER 16 6.491 -5.960 -1.553 87 HB2 SER 16 1HB SER 16 6.388 -3.981 -3.122 88 HB3 SER 16 2HB SER 16 7.725 -3.279 -2.210 89 HG SER 16 HG SER 16 8.714 -5.491 -2.685 90 H GLU 17 H GLU 17 7.267 -3.524 0.765 91 HA GLU 17 HA GLU 17 9.934 -4.570 1.255 92 HB2 GLU 17 1HB GLU 17 8.339 -2.294 2.405 93 HB3 GLU 17 2HB GLU 17 9.839 -2.828 3.151 94 HG2 GLU 17 1HG GLU 17 9.525 -1.836 0.327 95 HG3 GLU 17 2HG GLU 17 10.206 -0.932 1.678 96 H CYS 18 H CYS 18 7.225 -3.841 3.455 97 HA CYS 18 HA CYS 18 8.087 -5.951 5.242 98 HB2 CYS 18 1HB CYS 18 6.318 -5.129 6.726 99 HB3 CYS 18 2HB CYS 18 7.332 -3.804 6.163 100 H GLN 19 H GLN 19 5.953 -5.629 2.630 101 HA GLN 19 HA GLN 19 4.437 -7.025 1.669 102 HB2 GLN 19 1HB GLN 19 5.694 -9.005 3.573 103 HB3 GLN 19 2HB GLN 19 4.542 -9.442 2.318 104 HG2 GLN 19 1HG GLN 19 7.133 -8.037 1.741 105 HG3 GLN 19 2HG GLN 19 6.972 -9.793 1.772 106 HE21 GLN 19 1HE2 GLN 19 4.586 -10.208 0.579 107 HE22 GLN 19 2HE2 GLN 19 4.626 -9.658 -1.059 108 H LYS 20 H LYS 20 3.455 -5.361 3.632 109 HA LYS 20 HA LYS 20 1.809 -6.854 5.468 110 HB2 LYS 20 1HB LYS 20 2.758 -4.574 5.950 111 HB3 LYS 20 2HB LYS 20 1.632 -3.921 4.767 112 HG2 LYS 20 1HG LYS 20 0.378 -3.590 6.611 113 HG3 LYS 20 2HG LYS 20 -0.099 -5.260 6.296 114 HD2 LYS 20 1HD LYS 20 2.329 -4.859 7.939 115 HD3 LYS 20 2HD LYS 20 0.791 -4.411 8.679 116 HE2 LYS 20 1HE LYS 20 -0.072 -6.598 8.433 117 HE3 LYS 20 2HE LYS 20 1.230 -7.068 7.340 118 HZ1 LYS 20 3HZ LYS 20 2.665 -6.452 9.447 119 HZ2 LYS 20 1HZ LYS 20 1.989 -7.990 9.250 120 HZ3 LYS 20 2HZ LYS 20 1.234 -6.857 10.253 121 H ALA 21 H ALA 21 -0.466 -6.958 5.449 122 HA ALA 21 HA ALA 21 -1.596 -7.010 2.766 123 HB1 ALA 21 3HB ALA 21 -3.487 -8.183 3.839 124 HB2 ALA 21 1HB ALA 21 -1.936 -8.971 4.128 125 HB3 ALA 21 2HB ALA 21 -2.683 -8.000 5.398 126 H PHE 22 H PHE 22 -3.232 -5.734 2.049 127 HA PHE 22 HA PHE 22 -4.427 -3.821 3.927 128 HB2 PHE 22 1HB PHE 22 -2.987 -3.201 1.363 129 HB3 PHE 22 2HB PHE 22 -4.251 -2.133 1.962 130 HD1 PHE 22 HD1 PHE 22 -3.943 -0.869 4.017 131 HD2 PHE 22 HD2 PHE 22 -0.863 -3.365 2.470 132 HE1 PHE 22 HE1 PHE 22 -2.312 0.236 5.491 133 HE2 PHE 22 HE2 PHE 22 0.773 -2.265 3.941 134 HZ PHE 22 HZ PHE 22 0.049 -0.462 5.455 135 H ASN 23 H ASN 23 -6.447 -2.911 3.209 136 HA ASN 23 HA ASN 23 -7.931 -4.789 1.536 137 HB2 ASN 23 1HB ASN 23 -8.611 -3.849 3.918 138 HB3 ASN 23 2HB ASN 23 -9.254 -2.519 2.958 139 HD21 ASN 23 1HD2 ASN 23 -10.205 -5.127 4.486 140 HD22 ASN 23 2HD2 ASN 23 -11.483 -5.679 3.463 141 H THR 24 H THR 24 -7.448 -1.282 1.868 142 HA THR 24 HA THR 24 -8.425 -0.956 -0.890 143 HB THR 24 HB THR 24 -8.669 1.473 -0.284 144 HG1 THR 24 HG1 THR 24 -8.772 1.813 2.070 145 HG21 THR 24 3HG2 THR 24 -10.721 1.143 1.056 146 HG22 THR 24 1HG2 THR 24 -10.243 -0.530 1.339 147 HG23 THR 24 2HG2 THR 24 -10.609 0.017 -0.297 148 H LYS 25 H LYS 25 -7.236 0.221 -2.381 149 HA LYS 25 HA LYS 25 -4.447 0.028 -2.244 150 HB2 LYS 25 1HB LYS 25 -5.781 0.163 -4.344 151 HB3 LYS 25 2HB LYS 25 -6.063 1.868 -4.017 152 HG2 LYS 25 1HG LYS 25 -3.474 2.019 -3.944 153 HG3 LYS 25 2HG LYS 25 -3.541 0.488 -4.819 154 HD2 LYS 25 1HD LYS 25 -5.120 2.875 -5.722 155 HD3 LYS 25 2HD LYS 25 -3.429 2.664 -6.184 156 HE2 LYS 25 1HE LYS 25 -4.169 0.311 -6.942 157 HE3 LYS 25 2HE LYS 25 -5.804 0.968 -6.873 158 HZ1 LYS 25 3HZ LYS 25 -5.265 2.585 -8.496 159 HZ2 LYS 25 1HZ LYS 25 -4.697 1.106 -9.089 160 HZ3 LYS 25 2HZ LYS 25 -3.614 2.224 -8.427 161 H SER 26 H SER 26 -6.475 2.961 -2.109 162 HA SER 26 HA SER 26 -4.625 4.894 -1.710 163 HB2 SER 26 1HB SER 26 -6.315 6.071 -0.287 164 HB3 SER 26 2HB SER 26 -6.981 5.431 -1.789 165 HG SER 26 HG SER 26 -7.406 4.615 0.846 166 H ASN 27 H ASN 27 -6.057 2.958 0.920 167 HA ASN 27 HA ASN 27 -4.630 3.980 3.044 168 HB2 ASN 27 1HB ASN 27 -5.768 1.257 2.490 169 HB3 ASN 27 2HB ASN 27 -4.858 1.553 3.969 170 HD21 ASN 27 1HD2 ASN 27 -6.178 1.840 5.601 171 HD22 ASN 27 2HD2 ASN 27 -7.652 2.742 5.579 172 H LEU 28 H LEU 28 -3.735 1.180 1.028 173 HA LEU 28 HA LEU 28 -1.291 0.616 2.234 174 HB2 LEU 28 1HB LEU 28 -2.130 -0.985 0.753 175 HB3 LEU 28 2HB LEU 28 -2.348 0.194 -0.538 176 HG LEU 28 HG LEU 28 0.151 0.330 -0.709 177 HD11 LEU 28 1HD1 LEU 28 1.502 -1.370 0.299 178 HD12 LEU 28 2HD1 LEU 28 0.085 -2.149 1.000 179 HD13 LEU 28 3HD1 LEU 28 0.590 -0.559 1.572 180 HD21 LEU 28 3HD2 LEU 28 -0.752 -2.490 -1.150 181 HD22 LEU 28 1HD2 LEU 28 0.281 -1.475 -2.158 182 HD23 LEU 28 2HD2 LEU 28 -1.453 -1.163 -2.078 183 H ILE 29 H ILE 29 -1.877 2.546 -0.708 184 HA ILE 29 HA ILE 29 0.629 3.356 -1.345 185 HB ILE 29 HB ILE 29 -1.812 5.135 -1.299 186 HG12 ILE 29 1HG1 ILE 29 -0.663 3.520 -3.582 187 HG13 ILE 29 2HG1 ILE 29 -2.000 2.974 -2.575 188 HG21 ILE 29 1HG2 ILE 29 -0.104 5.816 -3.419 189 HG22 ILE 29 2HG2 ILE 29 -0.473 6.768 -1.981 190 HG23 ILE 29 3HG2 ILE 29 0.916 5.682 -1.986 191 HD11 ILE 29 3HD1 ILE 29 -3.245 5.023 -3.272 192 HD12 ILE 29 1HD1 ILE 29 -1.947 5.341 -4.423 193 HD13 ILE 29 2HD1 ILE 29 -2.914 3.873 -4.568 194 H VAL 30 H VAL 30 -1.469 5.025 1.007 195 HA VAL 30 HA VAL 30 0.322 6.990 1.809 196 HB VAL 30 HB VAL 30 -1.773 5.605 3.488 197 HG11 VAL 30 1HG1 VAL 30 -1.585 7.277 5.072 198 HG12 VAL 30 2HG1 VAL 30 0.099 7.011 4.618 199 HG13 VAL 30 3HG1 VAL 30 -0.787 8.387 3.959 200 HG21 VAL 30 3HG2 VAL 30 -2.132 7.099 1.212 201 HG22 VAL 30 1HG2 VAL 30 -3.334 6.848 2.477 202 HG23 VAL 30 2HG2 VAL 30 -2.322 8.292 2.496 203 H HIS 31 H HIS 31 0.061 3.634 2.803 204 HA HIS 31 HA HIS 31 1.901 3.868 4.986 205 HB2 HIS 31 1HB HIS 31 0.486 2.063 5.283 206 HB3 HIS 31 2HB HIS 31 0.530 1.612 3.581 207 HD1 HIS 31 HD1 HIS 31 2.460 1.245 6.778 208 HD2 HIS 31 HD2 HIS 31 2.546 -0.164 2.871 209 HE1 HIS 31 HE1 HIS 31 4.130 -0.635 6.778 210 H GLN 32 H GLN 32 2.134 2.248 1.813 211 HA GLN 32 HA GLN 32 4.674 1.398 1.752 212 HB2 GLN 32 1HB GLN 32 2.988 2.701 -0.336 213 HB3 GLN 32 2HB GLN 32 4.677 2.380 -0.709 214 HG2 GLN 32 1HG GLN 32 4.225 -0.010 0.017 215 HG3 GLN 32 2HG GLN 32 2.515 0.416 -0.032 216 HE21 GLN 32 1HE2 GLN 32 4.305 -1.402 -1.655 217 HE22 GLN 32 2HE2 GLN 32 3.961 -0.977 -3.294 218 H ARG 33 H ARG 33 3.695 4.773 1.294 219 HA ARG 33 HA ARG 33 6.092 5.937 0.643 220 HB2 ARG 33 1HB ARG 33 4.419 7.321 2.684 221 HB3 ARG 33 2HB ARG 33 5.142 7.953 1.211 222 HG2 ARG 33 1HG ARG 33 3.390 6.310 0.091 223 HG3 ARG 33 2HG ARG 33 2.549 6.582 1.618 224 HD2 ARG 33 1HD ARG 33 1.747 8.227 0.123 225 HD3 ARG 33 2HD ARG 33 2.865 9.053 1.208 226 HE ARG 33 HE ARG 33 4.466 8.448 -0.838 227 HH11 ARG 33 1HH1 ARG 33 1.277 9.841 -0.764 228 HH12 ARG 33 2HH1 ARG 33 1.504 10.762 -2.213 229 HH21 ARG 33 1HH2 ARG 33 4.777 9.656 -2.747 230 HH22 ARG 33 2HH2 ARG 33 3.495 10.656 -3.341 231 H THR 34 H THR 34 4.905 5.133 3.888 232 HA THR 34 HA THR 34 6.820 6.230 5.489 233 HB THR 34 HB THR 34 4.858 4.860 6.258 234 HG1 THR 34 HG1 THR 34 6.102 5.285 7.952 235 HG21 THR 34 3HG2 THR 34 6.025 2.854 4.768 236 HG22 THR 34 1HG2 THR 34 4.731 2.644 5.948 237 HG23 THR 34 2HG2 THR 34 6.410 2.398 6.428 238 H HIS 35 H HIS 35 7.188 3.560 3.294 239 HA HIS 35 HA HIS 35 9.702 2.679 4.391 240 HB2 HIS 35 1HB HIS 35 8.175 1.983 1.885 241 HB3 HIS 35 2HB HIS 35 9.773 1.324 2.227 242 HD1 HIS 35 HD1 HIS 35 9.795 0.224 4.857 243 HD2 HIS 35 HD2 HIS 35 6.249 0.286 2.693 244 HE1 HIS 35 HE1 HIS 35 8.332 -1.527 5.913 245 H THR 36 H THR 36 8.729 4.240 1.336 246 HA THR 36 HA THR 36 11.402 4.784 0.528 247 HB THR 36 HB THR 36 10.367 6.249 -1.190 248 HG1 THR 36 HG1 THR 36 8.170 5.893 0.482 249 HG21 THR 36 3HG2 THR 36 10.266 4.314 -2.294 250 HG22 THR 36 1HG2 THR 36 8.602 4.145 -1.737 251 HG23 THR 36 2HG2 THR 36 9.919 3.426 -0.811 252 H GLY 37 H GLY 37 12.691 6.482 0.935 253 HA2 GLY 37 1HA GLY 37 11.552 8.674 2.554 254 HA3 GLY 37 2HA GLY 37 13.209 8.104 2.686 255 H GLU 38 H GLU 38 13.314 10.604 2.449 256 HA GLU 38 HA GLU 38 13.855 11.149 -0.388 257 HB2 GLU 38 1HB GLU 38 11.713 12.245 0.737 258 HB3 GLU 38 2HB GLU 38 12.908 13.384 1.342 259 HG2 GLU 38 1HG GLU 38 12.039 14.299 -0.650 260 HG3 GLU 38 2HG GLU 38 13.657 13.710 -1.027 261 H LYS 39 H LYS 39 15.376 12.964 -0.708 262 HA LYS 39 HA LYS 39 17.621 13.480 -0.403 263 HB2 LYS 39 1HB LYS 39 17.696 15.061 1.717 264 HB3 LYS 39 2HB LYS 39 16.843 15.534 0.253 265 HG2 LYS 39 1HG LYS 39 15.296 16.042 1.863 266 HG3 LYS 39 2HG LYS 39 14.800 14.408 1.418 267 HD2 LYS 39 1HD LYS 39 14.789 14.443 3.773 268 HD3 LYS 39 2HD LYS 39 16.278 13.606 3.327 269 HE2 LYS 39 1HE LYS 39 17.560 15.628 3.697 270 HE3 LYS 39 2HE LYS 39 16.085 16.531 4.040 271 HZ1 LYS 39 3HZ LYS 39 17.474 15.670 5.994 272 HZ2 LYS 39 1HZ LYS 39 16.801 14.158 5.639 273 HZ3 LYS 39 2HZ LYS 39 15.797 15.455 6.054 274 HA PRO 40 HA PRO 40 18.271 10.304 3.040 275 HB2 PRO 40 1HB PRO 40 19.269 8.325 1.472 276 HB3 PRO 40 2HB PRO 40 17.545 8.495 1.824 277 HG2 PRO 40 1HG PRO 40 19.076 9.346 -0.604 278 HG3 PRO 40 2HG PRO 40 17.492 8.555 -0.500 279 HD2 PRO 40 1HD PRO 40 17.767 11.215 -0.924 280 HD3 PRO 40 2HD PRO 40 16.397 10.527 -0.028 281 H SER 41 H SER 41 20.373 9.331 3.641 282 HA SER 41 HA SER 41 22.449 11.008 3.791 283 HB2 SER 41 1HB SER 41 22.160 8.518 4.628 284 HB3 SER 41 2HB SER 41 23.168 8.159 3.226 285 HG SER 41 HG SER 41 24.472 10.038 4.238 286 H GLY 42 H GLY 42 23.098 12.267 2.131 287 HA2 GLY 42 1HA GLY 42 24.401 10.900 -0.121 288 HA3 GLY 42 2HA GLY 42 23.216 12.154 -0.458 289 HA PRO 43 HA PRO 43 27.612 13.856 0.246 290 HB2 PRO 43 1HB PRO 43 28.276 14.342 -2.341 291 HB3 PRO 43 2HB PRO 43 28.649 12.820 -1.523 292 HG2 PRO 43 1HG PRO 43 26.399 13.465 -3.389 293 HG3 PRO 43 2HG PRO 43 27.424 12.019 -3.330 294 HD2 PRO 43 1HD PRO 43 24.925 12.078 -2.287 295 HD3 PRO 43 2HD PRO 43 26.226 11.088 -1.594 296 H SER 44 H SER 44 26.771 15.721 1.105 297 HA SER 44 HA SER 44 24.954 17.483 0.191 298 HB2 SER 44 1HB SER 44 26.530 17.580 2.285 299 HB3 SER 44 2HB SER 44 27.515 18.622 1.260 300 HG SER 44 HG SER 44 25.592 19.906 0.958 301 H SER 45 H SER 45 24.828 19.215 -1.205 302 HA SER 45 HA SER 45 26.637 19.122 -3.458 303 HB2 SER 45 1HB SER 45 24.234 20.904 -2.984 304 HB3 SER 45 2HB SER 45 25.076 20.679 -4.517 305 HG SER 45 HG SER 45 23.673 19.135 -4.783 306 H GLY 46 H GLY 46 25.644 21.517 -1.027 307 HA2 GLY 46 1HA GLY 46 27.329 23.591 -1.967 308 HA3 GLY 46 2HA GLY 46 26.603 23.498 -0.370 Start of MODEL 10 1 H1 GLY 1 H GLY 1 7.176 -29.270 -6.025 2 HA2 GLY 1 1HA GLY 1 6.698 -30.488 -3.793 3 HA3 GLY 1 2HA GLY 1 8.341 -29.990 -3.422 4 H SER 2 H SER 2 5.514 -28.393 -4.898 5 HA SER 2 HA SER 2 5.722 -26.316 -2.826 6 HB2 SER 2 1HB SER 2 5.282 -24.587 -4.505 7 HB3 SER 2 2HB SER 2 6.748 -25.480 -4.909 8 HG SER 2 HG SER 2 4.218 -26.152 -5.983 9 H SER 3 H SER 3 3.970 -27.307 -1.753 10 HA SER 3 HA SER 3 1.375 -26.861 -3.073 11 HB2 SER 3 1HB SER 3 2.273 -29.208 -1.409 12 HB3 SER 3 2HB SER 3 0.565 -28.816 -1.607 13 HG SER 3 HG SER 3 0.662 -29.346 -3.690 14 H GLY 4 H GLY 4 2.636 -24.930 -1.526 15 HA2 GLY 4 1HA GLY 4 0.856 -23.800 0.047 16 HA3 GLY 4 2HA GLY 4 1.405 -25.074 1.126 17 H SER 5 H SER 5 1.606 -22.078 1.220 18 HA SER 5 HA SER 5 4.448 -21.995 1.909 19 HB2 SER 5 1HB SER 5 3.826 -20.961 -0.445 20 HB3 SER 5 2HB SER 5 3.298 -19.597 0.541 21 HG SER 5 HG SER 5 5.792 -20.672 1.128 22 H SER 6 H SER 6 4.943 -19.894 3.122 23 HA SER 6 HA SER 6 3.442 -19.778 5.444 24 HB2 SER 6 1HB SER 6 5.439 -17.919 4.197 25 HB3 SER 6 2HB SER 6 4.591 -17.433 5.665 26 HG SER 6 HG SER 6 5.493 -19.113 6.751 27 H GLY 7 H GLY 7 1.389 -19.195 5.672 28 HA2 GLY 7 1HA GLY 7 -0.497 -17.875 5.631 29 HA3 GLY 7 2HA GLY 7 0.492 -16.586 4.961 30 H THR 8 H THR 8 -2.239 -17.911 4.339 31 HA THR 8 HA THR 8 -2.052 -19.022 1.748 32 HB THR 8 HB THR 8 -4.490 -18.522 1.579 33 HG1 THR 8 HG1 THR 8 -5.200 -16.951 2.796 34 HG21 THR 8 3HG2 THR 8 -4.921 -19.721 3.974 35 HG22 THR 8 1HG2 THR 8 -3.206 -20.056 3.739 36 HG23 THR 8 2HG2 THR 8 -4.379 -20.568 2.526 37 H GLY 9 H GLY 9 -3.029 -15.755 2.810 38 HA2 GLY 9 1HA GLY 9 -2.149 -13.809 1.670 39 HA3 GLY 9 2HA GLY 9 -2.115 -14.755 0.190 40 H GLU 10 H GLU 10 -4.433 -13.616 2.646 41 HA GLU 10 HA GLU 10 -6.441 -13.357 0.517 42 HB2 GLU 10 1HB GLU 10 -6.684 -13.567 3.515 43 HB3 GLU 10 2HB GLU 10 -8.032 -13.093 2.491 44 HG2 GLU 10 1HG GLU 10 -8.187 -15.182 1.504 45 HG3 GLU 10 2HG GLU 10 -6.542 -15.626 1.954 46 H LYS 11 H LYS 11 -5.457 -11.398 -0.270 47 HA LYS 11 HA LYS 11 -6.603 -9.062 0.937 48 HB2 LYS 11 1HB LYS 11 -4.339 -7.869 1.005 49 HB3 LYS 11 2HB LYS 11 -4.699 -8.989 2.313 50 HG2 LYS 11 1HG LYS 11 -2.578 -9.640 1.841 51 HG3 LYS 11 2HG LYS 11 -3.448 -10.688 0.719 52 HD2 LYS 11 1HD LYS 11 -3.157 -8.632 -0.901 53 HD3 LYS 11 2HD LYS 11 -1.811 -8.256 0.177 54 HE2 LYS 11 1HE LYS 11 -0.664 -10.193 -0.374 55 HE3 LYS 11 2HE LYS 11 -2.119 -11.015 -0.934 56 HZ1 LYS 11 3HZ LYS 11 -1.220 -8.628 -2.378 57 HZ2 LYS 11 1HZ LYS 11 -2.031 -9.995 -2.956 58 HZ3 LYS 11 2HZ LYS 11 -0.376 -10.075 -2.617 59 HA PRO 12 HA PRO 12 -6.691 -7.971 -3.333 60 HB2 PRO 12 1HB PRO 12 -7.294 -5.338 -3.064 61 HB3 PRO 12 2HB PRO 12 -8.473 -6.626 -2.792 62 HG2 PRO 12 1HG PRO 12 -6.867 -5.076 -0.797 63 HG3 PRO 12 2HG PRO 12 -8.577 -5.541 -0.738 64 HD2 PRO 12 1HD PRO 12 -6.655 -6.882 0.618 65 HD3 PRO 12 2HD PRO 12 -8.100 -7.682 -0.031 66 H PHE 13 H PHE 13 -4.699 -6.209 -1.041 67 HA PHE 13 HA PHE 13 -2.720 -5.779 -3.149 68 HB2 PHE 13 1HB PHE 13 -3.405 -3.566 -1.218 69 HB3 PHE 13 2HB PHE 13 -2.400 -3.477 -2.661 70 HD1 PHE 13 HD1 PHE 13 -3.404 -3.399 -4.875 71 HD2 PHE 13 HD2 PHE 13 -5.799 -3.481 -1.358 72 HE1 PHE 13 HE1 PHE 13 -5.354 -2.676 -6.190 73 HE2 PHE 13 HE2 PHE 13 -7.753 -2.759 -2.667 74 HZ PHE 13 HZ PHE 13 -7.533 -2.357 -5.086 75 H GLU 14 H GLU 14 -0.568 -5.488 -2.373 76 HA GLU 14 HA GLU 14 -0.136 -6.007 0.475 77 HB2 GLU 14 1HB GLU 14 -0.138 -8.169 -0.886 78 HB3 GLU 14 2HB GLU 14 1.340 -7.576 -1.631 79 HG2 GLU 14 1HG GLU 14 2.453 -7.533 0.506 80 HG3 GLU 14 2HG GLU 14 0.962 -7.997 1.324 81 H CYS 15 H CYS 15 1.891 -5.349 1.264 82 HA CYS 15 HA CYS 15 3.007 -3.100 -0.074 83 HB2 CYS 15 1HB CYS 15 2.862 -3.732 2.497 84 HB3 CYS 15 2HB CYS 15 4.450 -4.423 2.180 85 H SER 16 H SER 16 5.530 -2.953 -0.140 86 HA SER 16 HA SER 16 6.481 -5.294 -1.654 87 HB2 SER 16 1HB SER 16 6.309 -3.366 -3.090 88 HB3 SER 16 2HB SER 16 7.180 -2.363 -1.930 89 HG SER 16 HG SER 16 9.003 -3.751 -2.284 90 H GLU 17 H GLU 17 7.224 -3.003 0.875 91 HA GLU 17 HA GLU 17 9.915 -4.012 1.239 92 HB2 GLU 17 1HB GLU 17 8.253 -1.906 2.587 93 HB3 GLU 17 2HB GLU 17 9.744 -2.475 3.325 94 HG2 GLU 17 1HG GLU 17 10.381 -0.582 2.140 95 HG3 GLU 17 2HG GLU 17 10.853 -1.921 1.095 96 H CYS 18 H CYS 18 7.126 -3.695 3.444 97 HA CYS 18 HA CYS 18 8.133 -5.951 4.997 98 HB2 CYS 18 1HB CYS 18 6.464 -5.310 6.659 99 HB3 CYS 18 2HB CYS 18 7.422 -3.911 6.185 100 H GLN 19 H GLN 19 6.059 -5.447 2.437 101 HA GLN 19 HA GLN 19 4.445 -6.683 1.416 102 HB2 GLN 19 1HB GLN 19 5.752 -8.864 3.047 103 HB3 GLN 19 2HB GLN 19 4.576 -9.154 1.772 104 HG2 GLN 19 1HG GLN 19 7.068 -7.600 1.219 105 HG3 GLN 19 2HG GLN 19 7.086 -9.362 1.240 106 HE21 GLN 19 1HE2 GLN 19 7.789 -8.237 -1.042 107 HE22 GLN 19 2HE2 GLN 19 6.542 -8.365 -2.231 108 H LYS 20 H LYS 20 3.538 -5.257 3.599 109 HA LYS 20 HA LYS 20 2.002 -6.897 5.369 110 HB2 LYS 20 1HB LYS 20 2.790 -4.642 5.995 111 HB3 LYS 20 2HB LYS 20 1.747 -3.945 4.762 112 HG2 LYS 20 1HG LYS 20 -0.157 -4.304 5.969 113 HG3 LYS 20 2HG LYS 20 0.516 -5.691 6.828 114 HD2 LYS 20 1HD LYS 20 1.560 -2.911 7.270 115 HD3 LYS 20 2HD LYS 20 0.152 -3.518 8.145 116 HE2 LYS 20 1HE LYS 20 2.630 -5.172 8.080 117 HE3 LYS 20 2HE LYS 20 2.584 -3.756 9.129 118 HZ1 LYS 20 3HZ LYS 20 0.206 -5.058 9.567 119 HZ2 LYS 20 1HZ LYS 20 1.550 -5.035 10.596 120 HZ3 LYS 20 2HZ LYS 20 1.356 -6.296 9.485 121 H ALA 21 H ALA 21 -0.344 -6.882 5.508 122 HA ALA 21 HA ALA 21 -1.555 -6.970 2.838 123 HB1 ALA 21 3HB ALA 21 -1.949 -8.465 5.341 124 HB2 ALA 21 1HB ALA 21 -3.418 -8.086 4.442 125 HB3 ALA 21 2HB ALA 21 -2.117 -8.987 3.665 126 H PHE 22 H PHE 22 -3.080 -5.570 2.226 127 HA PHE 22 HA PHE 22 -4.342 -3.892 4.291 128 HB2 PHE 22 1HB PHE 22 -3.197 -3.085 1.622 129 HB3 PHE 22 2HB PHE 22 -4.374 -2.088 2.471 130 HD1 PHE 22 HD2 PHE 22 -0.948 -3.367 2.480 131 HD2 PHE 22 HD1 PHE 22 -3.783 -0.904 4.484 132 HE1 PHE 22 HE2 PHE 22 0.868 -2.351 3.792 133 HE2 PHE 22 HE1 PHE 22 -1.971 0.118 5.798 134 HZ PHE 22 HZ PHE 22 0.358 -0.607 5.454 135 H ASN 23 H ASN 23 -6.279 -2.649 3.189 136 HA ASN 23 HA ASN 23 -7.924 -4.721 1.915 137 HB2 ASN 23 1HB ASN 23 -8.806 -3.898 4.027 138 HB3 ASN 23 2HB ASN 23 -8.722 -2.237 3.447 139 HD21 ASN 23 1HD2 ASN 23 -11.054 -3.301 4.425 140 HD22 ASN 23 2HD2 ASN 23 -12.195 -3.466 3.139 141 H THR 24 H THR 24 -7.325 -1.215 1.778 142 HA THR 24 HA THR 24 -8.241 -1.252 -1.023 143 HB THR 24 HB THR 24 -8.646 1.171 -0.788 144 HG1 THR 24 HG1 THR 24 -7.869 2.177 0.895 145 HG21 THR 24 3HG2 THR 24 -10.105 -0.939 0.494 146 HG22 THR 24 1HG2 THR 24 -10.717 0.508 -0.305 147 HG23 THR 24 2HG2 THR 24 -10.299 0.557 1.407 148 H LYS 25 H LYS 25 -7.050 -0.116 -2.589 149 HA LYS 25 HA LYS 25 -4.269 -0.317 -2.406 150 HB2 LYS 25 1HB LYS 25 -5.660 -0.238 -4.513 151 HB3 LYS 25 2HB LYS 25 -5.771 1.503 -4.289 152 HG2 LYS 25 1HG LYS 25 -3.546 1.845 -4.777 153 HG3 LYS 25 2HG LYS 25 -3.092 0.192 -4.356 154 HD2 LYS 25 1HD LYS 25 -3.736 -0.647 -6.388 155 HD3 LYS 25 2HD LYS 25 -4.958 0.602 -6.638 156 HE2 LYS 25 1HE LYS 25 -2.074 1.365 -6.595 157 HE3 LYS 25 2HE LYS 25 -2.738 0.596 -8.035 158 HZ1 LYS 25 3HZ LYS 25 -3.885 3.026 -6.775 159 HZ2 LYS 25 1HZ LYS 25 -4.332 2.338 -8.254 160 HZ3 LYS 25 2HZ LYS 25 -2.810 3.055 -8.081 161 H SER 26 H SER 26 -6.320 2.594 -2.310 162 HA SER 26 HA SER 26 -4.450 4.554 -2.036 163 HB2 SER 26 1HB SER 26 -7.084 4.310 -0.565 164 HB3 SER 26 2HB SER 26 -6.133 5.792 -0.660 165 HG SER 26 HG SER 26 -6.681 4.541 -3.071 166 H ASN 27 H ASN 27 -5.910 2.787 0.699 167 HA ASN 27 HA ASN 27 -4.415 3.882 2.744 168 HB2 ASN 27 1HB ASN 27 -5.780 1.253 2.359 169 HB3 ASN 27 2HB ASN 27 -4.730 1.457 3.759 170 HD21 ASN 27 1HD2 ASN 27 -5.141 3.557 4.977 171 HD22 ASN 27 2HD2 ASN 27 -6.798 3.956 5.259 172 H LEU 28 H LEU 28 -3.625 1.119 0.673 173 HA LEU 28 HA LEU 28 -1.255 0.344 1.941 174 HB2 LEU 28 1HB LEU 28 -2.136 -1.156 0.385 175 HB3 LEU 28 2HB LEU 28 -2.277 0.080 -0.863 176 HG LEU 28 HG LEU 28 0.211 0.100 -1.030 177 HD11 LEU 28 1HD1 LEU 28 1.198 -2.142 -0.102 178 HD12 LEU 28 2HD1 LEU 28 -0.114 -1.992 1.066 179 HD13 LEU 28 3HD1 LEU 28 1.091 -0.712 0.925 180 HD21 LEU 28 3HD2 LEU 28 -1.644 -1.730 -2.057 181 HD22 LEU 28 1HD2 LEU 28 -0.226 -2.680 -1.611 182 HD23 LEU 28 2HD2 LEU 28 -0.061 -1.316 -2.718 183 H ILE 29 H ILE 29 -1.660 2.409 -0.940 184 HA ILE 29 HA ILE 29 0.958 3.098 -1.387 185 HB ILE 29 HB ILE 29 -1.425 4.937 -1.641 186 HG12 ILE 29 1HG1 ILE 29 -0.165 3.316 -3.842 187 HG13 ILE 29 2HG1 ILE 29 -1.437 2.643 -2.827 188 HG21 ILE 29 1HG2 ILE 29 -0.155 6.389 -2.856 189 HG22 ILE 29 2HG2 ILE 29 1.081 5.776 -1.759 190 HG23 ILE 29 3HG2 ILE 29 0.960 5.135 -3.398 191 HD11 ILE 29 3HD1 ILE 29 -1.688 5.147 -4.475 192 HD12 ILE 29 1HD1 ILE 29 -2.278 3.553 -4.945 193 HD13 ILE 29 2HD1 ILE 29 -2.963 4.368 -3.538 194 H VAL 30 H VAL 30 -1.340 4.797 0.739 195 HA VAL 30 HA VAL 30 0.352 6.804 1.646 196 HB VAL 30 HB VAL 30 -1.875 5.409 3.136 197 HG11 VAL 30 1HG1 VAL 30 -0.777 6.473 4.854 198 HG12 VAL 30 2HG1 VAL 30 -0.184 7.772 3.817 199 HG13 VAL 30 3HG1 VAL 30 -1.876 7.743 4.316 200 HG21 VAL 30 3HG2 VAL 30 -3.216 6.489 1.730 201 HG22 VAL 30 1HG2 VAL 30 -2.590 8.013 2.359 202 HG23 VAL 30 2HG2 VAL 30 -1.838 7.265 0.950 203 H HIS 31 H HIS 31 0.234 3.437 2.483 204 HA HIS 31 HA HIS 31 1.833 3.733 4.869 205 HB2 HIS 31 1HB HIS 31 0.388 1.907 5.017 206 HB3 HIS 31 2HB HIS 31 0.694 1.405 3.357 207 HD1 HIS 31 HD1 HIS 31 2.338 1.384 6.761 208 HD2 HIS 31 HD2 HIS 31 2.675 -0.465 3.056 209 HE1 HIS 31 HE1 HIS 31 4.015 -0.461 7.081 210 H GLN 32 H GLN 32 2.338 2.126 1.722 211 HA GLN 32 HA GLN 32 4.875 1.306 1.823 212 HB2 GLN 32 1HB GLN 32 3.648 2.918 -0.418 213 HB3 GLN 32 2HB GLN 32 5.145 2.007 -0.564 214 HG2 GLN 32 1HG GLN 32 4.033 -0.054 -0.297 215 HG3 GLN 32 2HG GLN 32 2.552 0.732 0.248 216 HE21 GLN 32 1HE2 GLN 32 2.555 -1.124 -1.789 217 HE22 GLN 32 2HE2 GLN 32 2.160 -0.339 -3.276 218 H ARG 33 H ARG 33 3.893 4.684 1.595 219 HA ARG 33 HA ARG 33 6.380 5.854 1.149 220 HB2 ARG 33 1HB ARG 33 4.478 7.218 2.992 221 HB3 ARG 33 2HB ARG 33 5.369 7.862 1.620 222 HG2 ARG 33 1HG ARG 33 3.757 6.248 0.280 223 HG3 ARG 33 2HG ARG 33 2.745 6.486 1.706 224 HD2 ARG 33 1HD ARG 33 2.063 8.201 0.305 225 HD3 ARG 33 2HD ARG 33 3.242 8.997 1.346 226 HE ARG 33 HE ARG 33 4.293 7.940 -1.134 227 HH11 ARG 33 1HH1 ARG 33 2.953 10.689 0.531 228 HH12 ARG 33 2HH1 ARG 33 3.618 11.846 -0.574 229 HH21 ARG 33 1HH2 ARG 33 5.174 9.455 -2.595 230 HH22 ARG 33 2HH2 ARG 33 4.880 11.143 -2.352 231 H THR 34 H THR 34 4.780 5.072 4.224 232 HA THR 34 HA THR 34 6.478 6.109 6.064 233 HB THR 34 HB THR 34 4.416 4.519 6.360 234 HG1 THR 34 HG1 THR 34 6.618 4.967 8.044 235 HG21 THR 34 3HG2 THR 34 5.073 2.271 7.123 236 HG22 THR 34 1HG2 THR 34 6.732 2.598 6.626 237 HG23 THR 34 2HG2 THR 34 5.448 2.524 5.419 238 H HIS 35 H HIS 35 7.169 3.544 3.844 239 HA HIS 35 HA HIS 35 9.508 2.607 5.241 240 HB2 HIS 35 1HB HIS 35 8.377 2.043 2.501 241 HB3 HIS 35 2HB HIS 35 9.894 1.348 3.063 242 HD1 HIS 35 HD1 HIS 35 9.566 0.010 5.495 243 HD2 HIS 35 HD2 HIS 35 6.257 0.459 3.024 244 HE1 HIS 35 HE1 HIS 35 7.922 -1.736 6.249 245 H THR 36 H THR 36 8.845 4.612 2.397 246 HA THR 36 HA THR 36 11.696 5.290 2.235 247 HB THR 36 HB THR 36 10.669 4.543 0.138 248 HG1 THR 36 HG1 THR 36 12.051 5.916 -0.671 249 HG21 THR 36 3HG2 THR 36 8.412 5.757 0.930 250 HG22 THR 36 1HG2 THR 36 8.759 5.387 -0.758 251 HG23 THR 36 2HG2 THR 36 9.054 7.010 -0.132 252 H GLY 37 H GLY 37 11.599 6.665 4.117 253 HA2 GLY 37 1HA GLY 37 11.525 9.355 3.630 254 HA3 GLY 37 2HA GLY 37 9.888 8.970 4.139 255 H GLU 38 H GLU 38 12.891 9.928 5.182 256 HA GLU 38 HA GLU 38 12.128 9.887 7.917 257 HB2 GLU 38 1HB GLU 38 12.861 7.489 7.504 258 HB3 GLU 38 2HB GLU 38 14.482 8.121 7.258 259 HG2 GLU 38 1HG GLU 38 14.587 8.926 9.501 260 HG3 GLU 38 2HG GLU 38 12.885 8.553 9.768 261 H LYS 39 H LYS 39 13.892 10.743 9.336 262 HA LYS 39 HA LYS 39 15.513 12.659 7.808 263 HB2 LYS 39 1HB LYS 39 13.787 13.441 9.525 264 HB3 LYS 39 2HB LYS 39 14.880 12.812 10.751 265 HG2 LYS 39 1HG LYS 39 15.315 15.123 10.580 266 HG3 LYS 39 2HG LYS 39 16.656 14.304 9.777 267 HD2 LYS 39 1HD LYS 39 15.314 14.640 7.618 268 HD3 LYS 39 2HD LYS 39 14.357 15.795 8.548 269 HE2 LYS 39 1HE LYS 39 16.711 16.762 9.177 270 HE3 LYS 39 2HE LYS 39 17.217 15.930 7.707 271 HZ1 LYS 39 3HZ LYS 39 15.610 17.177 6.452 272 HZ2 LYS 39 1HZ LYS 39 16.583 18.255 7.321 273 HZ3 LYS 39 2HZ LYS 39 15.014 17.916 7.852 274 HA PRO 40 HA PRO 40 19.124 10.392 9.011 275 HB2 PRO 40 1HB PRO 40 20.950 12.234 8.207 276 HB3 PRO 40 2HB PRO 40 20.072 11.194 7.078 277 HG2 PRO 40 1HG PRO 40 19.537 14.039 7.841 278 HG3 PRO 40 2HG PRO 40 19.496 13.284 6.237 279 HD2 PRO 40 1HD PRO 40 17.254 13.783 7.670 280 HD3 PRO 40 2HD PRO 40 17.395 12.397 6.570 281 H SER 41 H SER 41 17.833 13.000 10.550 282 HA SER 41 HA SER 41 20.128 13.476 12.301 283 HB2 SER 41 1HB SER 41 17.420 14.832 12.271 284 HB3 SER 41 2HB SER 41 18.825 15.330 13.213 285 HG SER 41 HG SER 41 19.856 15.392 10.984 286 H GLY 42 H GLY 42 16.627 12.922 12.760 287 HA2 GLY 42 1HA GLY 42 16.018 10.896 14.068 288 HA3 GLY 42 2HA GLY 42 17.323 11.340 15.158 289 HA PRO 43 HA PRO 43 14.357 13.421 17.641 290 HB2 PRO 43 1HB PRO 43 16.011 15.104 18.983 291 HB3 PRO 43 2HB PRO 43 15.935 13.369 19.310 292 HG2 PRO 43 1HG PRO 43 17.913 14.902 17.668 293 HG3 PRO 43 2HG PRO 43 18.199 13.592 18.828 294 HD2 PRO 43 1HD PRO 43 18.167 13.186 16.151 295 HD3 PRO 43 2HD PRO 43 17.629 11.954 17.310 296 H SER 44 H SER 44 16.627 15.291 15.703 297 HA SER 44 HA SER 44 16.385 17.221 14.519 298 HB2 SER 44 1HB SER 44 14.045 16.082 14.122 299 HB3 SER 44 2HB SER 44 13.465 17.376 15.171 300 HG SER 44 HG SER 44 14.909 17.667 12.744 301 H SER 45 H SER 45 17.183 17.379 17.175 302 HA SER 45 HA SER 45 15.848 19.086 18.868 303 HB2 SER 45 1HB SER 45 17.916 19.477 19.951 304 HB3 SER 45 2HB SER 45 18.077 17.873 19.236 305 HG SER 45 HG SER 45 18.887 19.525 17.395 306 H GLY 46 H GLY 46 15.951 21.342 19.264 307 HA2 GLY 46 1HA GLY 46 15.397 23.037 17.226 308 HA3 GLY 46 2HA GLY 46 16.155 23.580 18.716 Start of MODEL 11 1 H1 GLY 1 H GLY 1 7.820 -34.407 6.515 2 HA2 GLY 1 1HA GLY 1 7.514 -32.176 7.030 3 HA3 GLY 1 2HA GLY 1 6.645 -32.179 5.503 4 H SER 2 H SER 2 6.416 -31.787 8.865 5 HA SER 2 HA SER 2 3.576 -32.260 9.050 6 HB2 SER 2 1HB SER 2 4.960 -32.684 11.005 7 HB3 SER 2 2HB SER 2 5.528 -31.015 11.001 8 HG SER 2 HG SER 2 3.023 -32.048 11.723 9 H SER 3 H SER 3 2.758 -30.845 7.454 10 HA SER 3 HA SER 3 3.085 -27.976 7.965 11 HB2 SER 3 1HB SER 3 2.360 -29.604 5.579 12 HB3 SER 3 2HB SER 3 1.657 -27.991 5.706 13 HG SER 3 HG SER 3 4.181 -27.708 6.311 14 H GLY 4 H GLY 4 1.029 -26.659 7.497 15 HA2 GLY 4 1HA GLY 4 -1.480 -27.923 8.118 16 HA3 GLY 4 2HA GLY 4 -0.829 -26.996 9.461 17 H SER 5 H SER 5 0.267 -24.826 8.211 18 HA SER 5 HA SER 5 -2.136 -23.412 7.385 19 HB2 SER 5 1HB SER 5 0.624 -22.538 8.218 20 HB3 SER 5 2HB SER 5 -0.514 -21.407 7.486 21 HG SER 5 HG SER 5 -1.722 -22.817 9.433 22 H SER 6 H SER 6 -2.632 -23.043 5.336 23 HA SER 6 HA SER 6 -0.523 -23.327 3.305 24 HB2 SER 6 1HB SER 6 -3.498 -23.787 3.225 25 HB3 SER 6 2HB SER 6 -2.567 -23.569 1.743 26 HG SER 6 HG SER 6 -1.510 -25.424 2.111 27 H GLY 7 H GLY 7 -3.322 -21.345 4.215 28 HA2 GLY 7 1HA GLY 7 -2.031 -18.955 3.312 29 HA3 GLY 7 2HA GLY 7 -3.311 -19.459 2.219 30 H THR 8 H THR 8 -2.662 -17.454 4.697 31 HA THR 8 HA THR 8 -5.195 -17.754 6.100 32 HB THR 8 HB THR 8 -4.364 -15.761 7.421 33 HG1 THR 8 HG1 THR 8 -2.792 -15.283 5.580 34 HG21 THR 8 3HG2 THR 8 -2.239 -17.818 7.609 35 HG22 THR 8 1HG2 THR 8 -3.904 -18.371 7.783 36 HG23 THR 8 2HG2 THR 8 -3.268 -17.134 8.867 37 H GLY 9 H GLY 9 -5.454 -17.115 3.369 38 HA2 GLY 9 1HA GLY 9 -6.984 -15.760 2.243 39 HA3 GLY 9 2HA GLY 9 -6.982 -14.660 3.614 40 H GLU 10 H GLU 10 -6.557 -14.447 0.562 41 HA GLU 10 HA GLU 10 -4.017 -12.964 0.650 42 HB2 GLU 10 1HB GLU 10 -4.527 -14.897 -1.057 43 HB3 GLU 10 2HB GLU 10 -5.412 -13.640 -1.909 44 HG2 GLU 10 1HG GLU 10 -3.429 -12.307 -2.118 45 HG3 GLU 10 2HG GLU 10 -2.519 -13.430 -1.110 46 H LYS 11 H LYS 11 -4.099 -10.823 0.625 47 HA LYS 11 HA LYS 11 -6.627 -9.478 0.197 48 HB2 LYS 11 1HB LYS 11 -3.970 -8.746 1.310 49 HB3 LYS 11 2HB LYS 11 -4.936 -7.446 0.626 50 HG2 LYS 11 1HG LYS 11 -5.521 -7.431 2.866 51 HG3 LYS 11 2HG LYS 11 -6.828 -8.349 2.114 52 HD2 LYS 11 1HD LYS 11 -4.468 -9.862 3.092 53 HD3 LYS 11 2HD LYS 11 -5.569 -9.195 4.300 54 HE2 LYS 11 1HE LYS 11 -7.447 -10.296 3.055 55 HE3 LYS 11 2HE LYS 11 -6.232 -11.099 2.061 56 HZ1 LYS 11 3HZ LYS 11 -7.121 -12.370 4.044 57 HZ2 LYS 11 1HZ LYS 11 -6.224 -11.311 5.012 58 HZ3 LYS 11 2HZ LYS 11 -5.438 -12.299 3.887 59 HA PRO 12 HA PRO 12 -5.997 -8.100 -3.921 60 HB2 PRO 12 1HB PRO 12 -7.057 -5.601 -3.844 61 HB3 PRO 12 2HB PRO 12 -8.044 -7.066 -3.777 62 HG2 PRO 12 1HG PRO 12 -7.136 -5.290 -1.545 63 HG3 PRO 12 2HG PRO 12 -8.727 -6.026 -1.812 64 HD2 PRO 12 1HD PRO 12 -6.922 -7.047 -0.070 65 HD3 PRO 12 2HD PRO 12 -8.062 -8.067 -0.971 66 H PHE 13 H PHE 13 -4.715 -6.186 -1.304 67 HA PHE 13 HA PHE 13 -2.601 -5.221 -3.101 68 HB2 PHE 13 1HB PHE 13 -3.852 -3.531 -0.930 69 HB3 PHE 13 2HB PHE 13 -2.622 -3.032 -2.086 70 HD1 PHE 13 HD1 PHE 13 -3.211 -2.755 -4.471 71 HD2 PHE 13 HD2 PHE 13 -6.152 -3.529 -1.493 72 HE1 PHE 13 HE1 PHE 13 -4.969 -1.991 -6.014 73 HE2 PHE 13 HE2 PHE 13 -7.915 -2.768 -3.032 74 HZ PHE 13 HZ PHE 13 -7.324 -1.998 -5.296 75 H GLU 14 H GLU 14 -0.581 -5.433 -2.326 76 HA GLU 14 HA GLU 14 -0.215 -5.937 0.542 77 HB2 GLU 14 1HB GLU 14 -0.324 -8.101 -0.737 78 HB3 GLU 14 2HB GLU 14 1.115 -7.589 -1.608 79 HG2 GLU 14 1HG GLU 14 2.472 -7.773 0.260 80 HG3 GLU 14 2HG GLU 14 1.111 -7.695 1.378 81 H CYS 15 H CYS 15 1.698 -5.206 1.403 82 HA CYS 15 HA CYS 15 3.009 -3.100 0.052 83 HB2 CYS 15 1HB CYS 15 2.735 -3.630 2.621 84 HB3 CYS 15 2HB CYS 15 4.273 -4.457 2.398 85 H SER 16 H SER 16 5.475 -3.018 -0.073 86 HA SER 16 HA SER 16 6.409 -5.479 -1.394 87 HB2 SER 16 1HB SER 16 6.275 -3.658 -2.966 88 HB3 SER 16 2HB SER 16 7.150 -2.585 -1.875 89 HG SER 16 HG SER 16 8.135 -4.844 -3.270 90 H GLU 17 H GLU 17 7.152 -3.041 0.987 91 HA GLU 17 HA GLU 17 9.854 -3.933 1.413 92 HB2 GLU 17 1HB GLU 17 8.048 -1.913 2.664 93 HB3 GLU 17 2HB GLU 17 9.444 -2.466 3.578 94 HG2 GLU 17 1HG GLU 17 9.440 -1.117 0.892 95 HG3 GLU 17 2HG GLU 17 10.040 -0.471 2.418 96 H CYS 18 H CYS 18 7.061 -3.814 3.631 97 HA CYS 18 HA CYS 18 8.193 -6.025 5.151 98 HB2 CYS 18 1HB CYS 18 6.465 -5.532 6.796 99 HB3 CYS 18 2HB CYS 18 7.305 -4.053 6.343 100 H GLN 19 H GLN 19 5.829 -5.472 2.743 101 HA GLN 19 HA GLN 19 4.445 -6.882 1.611 102 HB2 GLN 19 1HB GLN 19 5.588 -9.110 3.297 103 HB3 GLN 19 2HB GLN 19 4.784 -9.256 1.739 104 HG2 GLN 19 1HG GLN 19 6.763 -7.659 0.994 105 HG3 GLN 19 2HG GLN 19 7.549 -8.412 2.381 106 HE21 GLN 19 1HE2 GLN 19 6.514 -8.792 -0.851 107 HE22 GLN 19 2HE2 GLN 19 7.062 -10.414 -1.079 108 H LYS 20 H LYS 20 3.351 -5.486 3.671 109 HA LYS 20 HA LYS 20 1.838 -7.259 5.383 110 HB2 LYS 20 1HB LYS 20 2.676 -4.984 6.086 111 HB3 LYS 20 2HB LYS 20 1.474 -4.285 5.009 112 HG2 LYS 20 1HG LYS 20 -0.315 -5.157 6.298 113 HG3 LYS 20 2HG LYS 20 0.778 -6.166 7.248 114 HD2 LYS 20 1HD LYS 20 0.967 -3.163 7.208 115 HD3 LYS 20 2HD LYS 20 -0.057 -4.034 8.352 116 HE2 LYS 20 1HE LYS 20 2.890 -4.560 8.027 117 HE3 LYS 20 2HE LYS 20 2.234 -3.411 9.192 118 HZ1 LYS 20 3HZ LYS 20 2.684 -5.643 10.123 119 HZ2 LYS 20 1HZ LYS 20 1.497 -6.284 9.101 120 HZ3 LYS 20 2HZ LYS 20 1.071 -5.161 10.292 121 H ALA 21 H ALA 21 -0.482 -7.329 5.432 122 HA ALA 21 HA ALA 21 -1.623 -7.279 2.751 123 HB1 ALA 21 3HB ALA 21 -2.142 -8.747 5.230 124 HB2 ALA 21 1HB ALA 21 -3.596 -8.251 4.362 125 HB3 ALA 21 2HB ALA 21 -2.375 -9.232 3.550 126 H PHE 22 H PHE 22 -3.242 -5.962 2.093 127 HA PHE 22 HA PHE 22 -4.460 -4.161 4.067 128 HB2 PHE 22 1HB PHE 22 -3.018 -3.417 1.542 129 HB3 PHE 22 2HB PHE 22 -4.314 -2.395 2.154 130 HD1 PHE 22 HD2 PHE 22 -0.936 -3.664 2.772 131 HD2 PHE 22 HD1 PHE 22 -4.039 -1.102 4.160 132 HE1 PHE 22 HE2 PHE 22 0.651 -2.578 4.306 133 HE2 PHE 22 HE1 PHE 22 -2.456 -0.011 5.696 134 HZ PHE 22 HZ PHE 22 -0.108 -0.750 5.771 135 H ASN 23 H ASN 23 -6.373 -2.973 3.089 136 HA ASN 23 HA ASN 23 -7.904 -4.881 1.460 137 HB2 ASN 23 1HB ASN 23 -9.891 -4.022 2.466 138 HB3 ASN 23 2HB ASN 23 -8.734 -4.274 3.770 139 HD21 ASN 23 1HD2 ASN 23 -10.889 -2.148 2.421 140 HD22 ASN 23 2HD2 ASN 23 -10.360 -0.695 3.192 141 H THR 24 H THR 24 -7.253 -1.419 1.863 142 HA THR 24 HA THR 24 -8.255 -0.981 -0.873 143 HB THR 24 HB THR 24 -8.380 1.454 -0.178 144 HG1 THR 24 HG1 THR 24 -8.286 0.401 2.461 145 HG21 THR 24 3HG2 THR 24 -10.370 0.749 1.543 146 HG22 THR 24 1HG2 THR 24 -10.117 -0.760 0.667 147 HG23 THR 24 2HG2 THR 24 -10.509 0.717 -0.214 148 H LYS 25 H LYS 25 -7.039 0.246 -2.319 149 HA LYS 25 HA LYS 25 -4.237 -0.030 -2.136 150 HB2 LYS 25 1HB LYS 25 -5.714 0.155 -4.234 151 HB3 LYS 25 2HB LYS 25 -5.630 1.894 -3.986 152 HG2 LYS 25 1HG LYS 25 -3.261 1.894 -4.270 153 HG3 LYS 25 2HG LYS 25 -3.211 0.130 -4.277 154 HD2 LYS 25 1HD LYS 25 -3.033 0.852 -6.540 155 HD3 LYS 25 2HD LYS 25 -4.656 0.192 -6.329 156 HE2 LYS 25 1HE LYS 25 -5.166 2.125 -7.432 157 HE3 LYS 25 2HE LYS 25 -5.224 2.709 -5.770 158 HZ1 LYS 25 3HZ LYS 25 -3.756 4.227 -6.414 159 HZ2 LYS 25 1HZ LYS 25 -3.462 3.452 -7.889 160 HZ3 LYS 25 2HZ LYS 25 -2.607 2.990 -6.505 161 H SER 26 H SER 26 -6.231 2.931 -2.154 162 HA SER 26 HA SER 26 -4.378 4.853 -1.749 163 HB2 SER 26 1HB SER 26 -6.060 6.191 -0.694 164 HB3 SER 26 2HB SER 26 -6.889 5.152 -1.853 165 HG SER 26 HG SER 26 -6.918 5.096 0.938 166 H ASN 27 H ASN 27 -5.718 2.748 0.770 167 HA ASN 27 HA ASN 27 -4.343 3.904 2.938 168 HB2 ASN 27 1HB ASN 27 -5.613 1.220 2.473 169 HB3 ASN 27 2HB ASN 27 -4.720 1.543 3.956 170 HD21 ASN 27 1HD2 ASN 27 -7.018 0.989 4.671 171 HD22 ASN 27 2HD2 ASN 27 -8.075 2.334 4.913 172 H LEU 28 H LEU 28 -3.522 1.217 0.784 173 HA LEU 28 HA LEU 28 -1.165 0.418 2.088 174 HB2 LEU 28 1HB LEU 28 -2.183 -1.021 0.478 175 HB3 LEU 28 2HB LEU 28 -2.036 0.200 -0.785 176 HG LEU 28 HG LEU 28 0.420 -0.067 -0.710 177 HD11 LEU 28 1HD1 LEU 28 -0.298 -1.867 1.523 178 HD12 LEU 28 2HD1 LEU 28 1.125 -0.851 1.292 179 HD13 LEU 28 3HD1 LEU 28 1.000 -2.396 0.452 180 HD21 LEU 28 3HD2 LEU 28 -1.304 -1.503 -2.092 181 HD22 LEU 28 1HD2 LEU 28 -0.662 -2.811 -1.097 182 HD23 LEU 28 2HD2 LEU 28 0.422 -1.867 -2.120 183 H ILE 29 H ILE 29 -1.571 2.485 -0.790 184 HA ILE 29 HA ILE 29 0.995 3.174 -1.335 185 HB ILE 29 HB ILE 29 -1.341 5.088 -1.290 186 HG12 ILE 29 1HG1 ILE 29 -0.262 3.624 -3.687 187 HG13 ILE 29 2HG1 ILE 29 -1.475 2.889 -2.645 188 HG21 ILE 29 1HG2 ILE 29 1.394 5.256 -2.511 189 HG22 ILE 29 2HG2 ILE 29 0.035 6.177 -3.153 190 HG23 ILE 29 3HG2 ILE 29 0.564 6.430 -1.490 191 HD11 ILE 29 3HD1 ILE 29 -1.707 5.240 -4.458 192 HD12 ILE 29 1HD1 ILE 29 -2.762 3.837 -4.290 193 HD13 ILE 29 2HD1 ILE 29 -2.773 5.101 -3.060 194 H VAL 30 H VAL 30 -1.073 4.814 1.058 195 HA VAL 30 HA VAL 30 0.828 6.654 1.965 196 HB VAL 30 HB VAL 30 -1.437 5.407 3.529 197 HG11 VAL 30 1HG1 VAL 30 -0.932 6.733 5.248 198 HG12 VAL 30 2HG1 VAL 30 0.623 7.007 4.460 199 HG13 VAL 30 3HG1 VAL 30 -0.710 8.132 4.198 200 HG21 VAL 30 3HG2 VAL 30 -2.701 6.459 2.007 201 HG22 VAL 30 1HG2 VAL 30 -2.206 7.940 2.828 202 HG23 VAL 30 2HG2 VAL 30 -1.341 7.397 1.390 203 H HIS 31 H HIS 31 0.247 3.307 2.843 204 HA HIS 31 HA HIS 31 2.064 3.368 5.080 205 HB2 HIS 31 1HB HIS 31 0.329 1.810 5.345 206 HB3 HIS 31 2HB HIS 31 0.495 1.206 3.699 207 HD1 HIS 31 HD1 HIS 31 2.244 1.069 7.048 208 HD2 HIS 31 HD2 HIS 31 2.165 -0.949 3.417 209 HE1 HIS 31 HE1 HIS 31 3.641 -0.994 7.394 210 H GLN 32 H GLN 32 2.261 2.800 1.689 211 HA GLN 32 HA GLN 32 4.759 1.351 1.824 212 HB2 GLN 32 1HB GLN 32 3.178 2.479 -0.488 213 HB3 GLN 32 2HB GLN 32 4.701 1.622 -0.681 214 HG2 GLN 32 1HG GLN 32 3.553 -0.278 0.615 215 HG3 GLN 32 2HG GLN 32 2.056 0.572 0.236 216 HE21 GLN 32 1HE2 GLN 32 1.510 0.883 -1.987 217 HE22 GLN 32 2HE2 GLN 32 2.091 -0.216 -3.187 218 H ARG 33 H ARG 33 3.673 4.635 1.281 219 HA ARG 33 HA ARG 33 6.165 5.635 0.330 220 HB2 ARG 33 1HB ARG 33 5.186 7.852 0.716 221 HB3 ARG 33 2HB ARG 33 4.068 6.795 -0.137 222 HG2 ARG 33 1HG ARG 33 2.809 6.419 1.881 223 HG3 ARG 33 2HG ARG 33 3.981 7.346 2.821 224 HD2 ARG 33 1HD ARG 33 2.676 8.648 0.484 225 HD3 ARG 33 2HD ARG 33 1.737 8.432 1.960 226 HE ARG 33 HE ARG 33 3.712 10.384 1.518 227 HH11 ARG 33 1HH1 ARG 33 2.631 8.153 3.962 228 HH12 ARG 33 2HH1 ARG 33 3.193 9.124 5.282 229 HH21 ARG 33 1HH2 ARG 33 4.456 11.671 3.247 230 HH22 ARG 33 2HH2 ARG 33 4.230 11.126 4.874 231 H THR 34 H THR 34 4.567 5.645 3.499 232 HA THR 34 HA THR 34 6.418 7.142 4.924 233 HB THR 34 HB THR 34 4.252 6.438 5.857 234 HG1 THR 34 HG1 THR 34 6.302 5.405 7.525 235 HG21 THR 34 3HG2 THR 34 5.486 3.740 6.363 236 HG22 THR 34 1HG2 THR 34 4.465 4.063 4.962 237 HG23 THR 34 2HG2 THR 34 3.810 4.236 6.591 238 H HIS 35 H HIS 35 6.544 3.797 3.905 239 HA HIS 35 HA HIS 35 8.540 2.812 5.561 240 HB2 HIS 35 1HB HIS 35 7.568 2.157 2.827 241 HB3 HIS 35 2HB HIS 35 9.124 1.487 3.311 242 HD1 HIS 35 HD1 HIS 35 8.850 0.394 5.957 243 HD2 HIS 35 HD2 HIS 35 5.607 0.395 3.360 244 HE1 HIS 35 HE1 HIS 35 7.298 -1.387 6.819 245 H THR 36 H THR 36 9.022 4.070 2.255 246 HA THR 36 HA THR 36 10.950 4.775 1.216 247 HB THR 36 HB THR 36 12.063 6.672 2.659 248 HG1 THR 36 HG1 THR 36 9.545 6.624 3.934 249 HG21 THR 36 3HG2 THR 36 10.923 7.631 0.967 250 HG22 THR 36 1HG2 THR 36 9.704 7.952 2.199 251 HG23 THR 36 2HG2 THR 36 9.546 6.545 1.148 252 H GLY 37 H GLY 37 11.396 2.374 2.657 253 HA2 GLY 37 1HA GLY 37 14.006 2.764 3.937 254 HA3 GLY 37 2HA GLY 37 13.039 1.298 3.993 255 H GLU 38 H GLU 38 15.387 0.576 3.506 256 HA GLU 38 HA GLU 38 16.626 0.912 1.069 257 HB2 GLU 38 1HB GLU 38 17.560 -0.341 3.004 258 HB3 GLU 38 2HB GLU 38 16.476 -1.673 2.628 259 HG2 GLU 38 1HG GLU 38 17.665 -2.312 0.792 260 HG3 GLU 38 2HG GLU 38 18.275 -0.687 0.484 261 H LYS 39 H LYS 39 16.137 0.424 -0.963 262 HA LYS 39 HA LYS 39 13.794 -1.241 -1.484 263 HB2 LYS 39 1HB LYS 39 13.924 -0.329 -3.771 264 HB3 LYS 39 2HB LYS 39 13.839 0.940 -2.556 265 HG2 LYS 39 1HG LYS 39 15.496 1.804 -3.826 266 HG3 LYS 39 2HG LYS 39 16.485 0.782 -2.780 267 HD2 LYS 39 1HD LYS 39 16.709 -0.876 -4.428 268 HD3 LYS 39 2HD LYS 39 15.373 -0.228 -5.382 269 HE2 LYS 39 1HE LYS 39 16.686 1.726 -5.949 270 HE3 LYS 39 2HE LYS 39 18.002 1.175 -4.914 271 HZ1 LYS 39 3HZ LYS 39 17.155 0.168 -7.535 272 HZ2 LYS 39 1HZ LYS 39 17.862 -0.915 -6.444 273 HZ3 LYS 39 2HZ LYS 39 18.714 0.457 -6.946 274 HA PRO 40 HA PRO 40 16.177 -4.713 -2.774 275 HB2 PRO 40 1HB PRO 40 14.335 -5.924 -4.358 276 HB3 PRO 40 2HB PRO 40 14.232 -5.923 -2.594 277 HG2 PRO 40 1HG PRO 40 12.813 -4.185 -4.575 278 HG3 PRO 40 2HG PRO 40 12.176 -4.973 -3.120 279 HD2 PRO 40 1HD PRO 40 12.851 -2.352 -3.179 280 HD3 PRO 40 2HD PRO 40 13.016 -3.348 -1.719 281 H SER 41 H SER 41 17.836 -4.228 -4.107 282 HA SER 41 HA SER 41 17.775 -2.822 -6.480 283 HB2 SER 41 1HB SER 41 19.880 -3.276 -5.409 284 HB3 SER 41 2HB SER 41 19.657 -5.016 -5.589 285 HG SER 41 HG SER 41 20.267 -4.896 -7.617 286 H GLY 42 H GLY 42 17.375 -3.274 -8.585 287 HA2 GLY 42 1HA GLY 42 17.100 -6.005 -9.505 288 HA3 GLY 42 2HA GLY 42 15.590 -5.110 -9.430 289 HA PRO 43 HA PRO 43 17.189 -4.386 -13.652 290 HB2 PRO 43 1HB PRO 43 14.724 -4.215 -14.778 291 HB3 PRO 43 2HB PRO 43 15.541 -5.754 -14.484 292 HG2 PRO 43 1HG PRO 43 13.417 -4.399 -12.868 293 HG3 PRO 43 2HG PRO 43 13.569 -6.111 -13.305 294 HD2 PRO 43 1HD PRO 43 14.279 -5.160 -10.871 295 HD3 PRO 43 2HD PRO 43 15.107 -6.529 -11.640 296 H SER 44 H SER 44 15.771 -2.544 -11.323 297 HA SER 44 HA SER 44 14.781 -0.328 -12.778 298 HB2 SER 44 1HB SER 44 14.412 -0.896 -10.300 299 HB3 SER 44 2HB SER 44 15.987 -0.154 -10.019 300 HG SER 44 HG SER 44 13.979 1.206 -9.885 301 H SER 45 H SER 45 15.942 0.868 -14.124 302 HA SER 45 HA SER 45 18.753 1.429 -13.448 303 HB2 SER 45 1HB SER 45 18.007 0.203 -15.667 304 HB3 SER 45 2HB SER 45 17.677 1.849 -16.208 305 HG SER 45 HG SER 45 19.873 0.940 -16.577 306 H GLY 46 H GLY 46 18.459 3.261 -12.207 307 HA2 GLY 46 1HA GLY 46 17.378 5.593 -13.666 308 HA3 GLY 46 2HA GLY 46 17.073 5.344 -11.954 Start of MODEL 12 1 H1 GLY 1 H GLY 1 10.894 -25.693 14.741 2 HA2 GLY 1 1HA GLY 1 9.288 -26.657 12.454 3 HA3 GLY 1 2HA GLY 1 9.690 -27.668 13.833 4 H SER 2 H SER 2 7.565 -25.281 12.566 5 HA SER 2 HA SER 2 5.848 -25.598 14.916 6 HB2 SER 2 1HB SER 2 7.163 -23.455 15.129 7 HB3 SER 2 2HB SER 2 6.356 -22.891 13.666 8 HG SER 2 HG SER 2 4.375 -23.592 15.026 9 H SER 3 H SER 3 3.675 -25.587 14.481 10 HA SER 3 HA SER 3 2.961 -25.564 11.631 11 HB2 SER 3 1HB SER 3 1.868 -27.011 14.019 12 HB3 SER 3 2HB SER 3 0.834 -26.737 12.618 13 HG SER 3 HG SER 3 2.950 -27.626 11.537 14 H GLY 4 H GLY 4 2.142 -23.682 10.985 15 HA2 GLY 4 1HA GLY 4 -0.225 -22.629 12.191 16 HA3 GLY 4 2HA GLY 4 1.174 -21.622 12.535 17 H SER 5 H SER 5 -0.331 -23.270 9.753 18 HA SER 5 HA SER 5 0.704 -21.998 7.641 19 HB2 SER 5 1HB SER 5 -1.105 -23.617 7.409 20 HB3 SER 5 2HB SER 5 -2.254 -22.466 8.090 21 HG SER 5 HG SER 5 -1.392 -21.101 6.208 22 H SER 6 H SER 6 1.231 -19.948 7.320 23 HA SER 6 HA SER 6 -0.250 -17.809 8.593 24 HB2 SER 6 1HB SER 6 1.509 -16.347 7.667 25 HB3 SER 6 2HB SER 6 2.199 -17.710 8.547 26 HG SER 6 HG SER 6 3.280 -17.996 6.765 27 H GLY 7 H GLY 7 0.631 -18.704 5.256 28 HA2 GLY 7 1HA GLY 7 -0.969 -18.637 3.475 29 HA3 GLY 7 2HA GLY 7 -1.840 -17.389 4.353 30 H THR 8 H THR 8 -0.749 -17.509 1.574 31 HA THR 8 HA THR 8 1.374 -15.553 1.529 32 HB THR 8 HB THR 8 -0.261 -16.477 -0.832 33 HG1 THR 8 HG1 THR 8 0.648 -18.362 -0.583 34 HG21 THR 8 3HG2 THR 8 1.367 -15.582 -2.155 35 HG22 THR 8 1HG2 THR 8 2.639 -15.860 -0.967 36 HG23 THR 8 2HG2 THR 8 1.531 -14.503 -0.770 37 H GLY 9 H GLY 9 -0.843 -14.562 2.898 38 HA2 GLY 9 1HA GLY 9 -2.147 -12.678 3.026 39 HA3 GLY 9 2HA GLY 9 -1.198 -12.061 1.682 40 H GLU 10 H GLU 10 -4.252 -12.809 2.658 41 HA GLU 10 HA GLU 10 -5.181 -13.522 -0.032 42 HB2 GLU 10 1HB GLU 10 -6.277 -13.868 2.713 43 HB3 GLU 10 2HB GLU 10 -7.429 -13.652 1.403 44 HG2 GLU 10 1HG GLU 10 -6.754 -15.608 0.325 45 HG3 GLU 10 2HG GLU 10 -5.248 -15.697 1.238 46 H LYS 11 H LYS 11 -4.256 -10.935 0.239 47 HA LYS 11 HA LYS 11 -6.753 -9.371 0.146 48 HB2 LYS 11 1HB LYS 11 -4.026 -8.612 1.171 49 HB3 LYS 11 2HB LYS 11 -5.199 -7.394 0.688 50 HG2 LYS 11 1HG LYS 11 -5.602 -9.476 2.826 51 HG3 LYS 11 2HG LYS 11 -5.238 -7.769 3.092 52 HD2 LYS 11 1HD LYS 11 -7.348 -7.256 1.788 53 HD3 LYS 11 2HD LYS 11 -7.728 -8.976 1.904 54 HE2 LYS 11 1HE LYS 11 -7.637 -8.820 4.349 55 HE3 LYS 11 2HE LYS 11 -7.270 -7.100 4.223 56 HZ1 LYS 11 3HZ LYS 11 -9.735 -8.084 4.502 57 HZ2 LYS 11 1HZ LYS 11 -9.651 -7.964 2.817 58 HZ3 LYS 11 2HZ LYS 11 -9.396 -6.594 3.776 59 HA PRO 12 HA PRO 12 -5.802 -8.326 -4.012 60 HB2 PRO 12 1HB PRO 12 -6.908 -5.852 -4.180 61 HB3 PRO 12 2HB PRO 12 -7.872 -7.332 -4.103 62 HG2 PRO 12 1HG PRO 12 -7.186 -5.402 -1.919 63 HG3 PRO 12 2HG PRO 12 -8.735 -6.190 -2.270 64 HD2 PRO 12 1HD PRO 12 -7.066 -7.061 -0.324 65 HD3 PRO 12 2HD PRO 12 -8.108 -8.160 -1.251 66 H PHE 13 H PHE 13 -4.853 -6.127 -1.453 67 HA PHE 13 HA PHE 13 -2.647 -5.178 -3.159 68 HB2 PHE 13 1HB PHE 13 -3.930 -3.556 -0.960 69 HB3 PHE 13 2HB PHE 13 -2.764 -3.008 -2.160 70 HD1 PHE 13 HD1 PHE 13 -3.498 -3.059 -4.615 71 HD2 PHE 13 HD2 PHE 13 -6.205 -3.321 -1.340 72 HE1 PHE 13 HE1 PHE 13 -5.341 -2.356 -6.086 73 HE2 PHE 13 HE2 PHE 13 -8.052 -2.620 -2.806 74 HZ PHE 13 HZ PHE 13 -7.622 -2.137 -5.182 75 H GLU 14 H GLU 14 -0.638 -5.359 -2.350 76 HA GLU 14 HA GLU 14 -0.302 -5.876 0.516 77 HB2 GLU 14 1HB GLU 14 -0.386 -8.057 -0.667 78 HB3 GLU 14 2HB GLU 14 0.977 -7.548 -1.653 79 HG2 GLU 14 1HG GLU 14 2.472 -7.689 0.098 80 HG3 GLU 14 2HG GLU 14 1.211 -7.547 1.321 81 H CYS 15 H CYS 15 1.657 -5.215 1.381 82 HA CYS 15 HA CYS 15 2.931 -3.046 0.121 83 HB2 CYS 15 1HB CYS 15 2.773 -3.790 2.659 84 HB3 CYS 15 2HB CYS 15 4.320 -4.548 2.296 85 H SER 16 H SER 16 5.462 -3.019 0.048 86 HA SER 16 HA SER 16 6.329 -5.380 -1.490 87 HB2 SER 16 1HB SER 16 5.952 -3.069 -2.676 88 HB3 SER 16 2HB SER 16 7.510 -2.664 -1.957 89 HG SER 16 HG SER 16 7.829 -3.548 -4.002 90 H GLU 17 H GLU 17 7.023 -3.166 1.054 91 HA GLU 17 HA GLU 17 9.791 -4.060 1.290 92 HB2 GLU 17 1HB GLU 17 8.163 -1.935 2.659 93 HB3 GLU 17 2HB GLU 17 9.716 -2.446 3.304 94 HG2 GLU 17 1HG GLU 17 9.780 -0.412 1.859 95 HG3 GLU 17 2HG GLU 17 10.865 -1.712 1.369 96 H CYS 18 H CYS 18 7.082 -3.684 3.584 97 HA CYS 18 HA CYS 18 8.180 -5.794 5.246 98 HB2 CYS 18 1HB CYS 18 6.541 -5.159 6.870 99 HB3 CYS 18 2HB CYS 18 7.196 -3.675 6.187 100 H GLN 19 H GLN 19 5.931 -5.496 2.719 101 HA GLN 19 HA GLN 19 4.511 -6.961 1.714 102 HB2 GLN 19 1HB GLN 19 6.152 -8.843 3.389 103 HB3 GLN 19 2HB GLN 19 4.828 -9.428 2.391 104 HG2 GLN 19 1HG GLN 19 7.271 -7.953 1.438 105 HG3 GLN 19 2HG GLN 19 6.928 -9.669 1.230 106 HE21 GLN 19 1HE2 GLN 19 4.446 -9.820 0.371 107 HE22 GLN 19 2HE2 GLN 19 4.218 -8.951 -1.105 108 H LYS 20 H LYS 20 3.229 -5.533 3.490 109 HA LYS 20 HA LYS 20 1.798 -7.322 5.312 110 HB2 LYS 20 1HB LYS 20 2.662 -5.146 6.159 111 HB3 LYS 20 2HB LYS 20 1.594 -4.318 5.033 112 HG2 LYS 20 1HG LYS 20 0.249 -4.244 6.838 113 HG3 LYS 20 2HG LYS 20 -0.205 -5.856 6.279 114 HD2 LYS 20 1HD LYS 20 1.946 -5.289 8.318 115 HD3 LYS 20 2HD LYS 20 0.288 -5.751 8.711 116 HE2 LYS 20 1HE LYS 20 1.228 -7.816 8.754 117 HE3 LYS 20 2HE LYS 20 0.872 -7.732 7.029 118 HZ1 LYS 20 3HZ LYS 20 3.019 -7.942 6.601 119 HZ2 LYS 20 1HZ LYS 20 3.354 -8.064 8.255 120 HZ3 LYS 20 2HZ LYS 20 3.375 -6.552 7.497 121 H ALA 21 H ALA 21 -0.478 -7.478 5.304 122 HA ALA 21 HA ALA 21 -1.638 -7.199 2.649 123 HB1 ALA 21 3HB ALA 21 -1.888 -9.329 3.810 124 HB2 ALA 21 1HB ALA 21 -2.738 -8.520 5.127 125 HB3 ALA 21 2HB ALA 21 -3.458 -8.579 3.518 126 H PHE 22 H PHE 22 -3.334 -5.899 2.126 127 HA PHE 22 HA PHE 22 -4.509 -4.246 4.250 128 HB2 PHE 22 1HB PHE 22 -3.213 -3.312 1.703 129 HB3 PHE 22 2HB PHE 22 -4.460 -2.348 2.489 130 HD1 PHE 22 HD1 PHE 22 -4.058 -1.325 4.660 131 HD2 PHE 22 HD2 PHE 22 -1.026 -3.543 2.660 132 HE1 PHE 22 HE1 PHE 22 -2.365 -0.355 6.159 133 HE2 PHE 22 HE2 PHE 22 0.672 -2.577 4.156 134 HZ PHE 22 HZ PHE 22 0.003 -0.982 5.909 135 H ASN 23 H ASN 23 -6.393 -2.893 3.202 136 HA ASN 23 HA ASN 23 -8.042 -4.825 1.728 137 HB2 ASN 23 1HB ASN 23 -8.831 -4.023 3.973 138 HB3 ASN 23 2HB ASN 23 -8.967 -2.405 3.289 139 HD21 ASN 23 1HD2 ASN 23 -10.266 -2.359 1.188 140 HD22 ASN 23 2HD2 ASN 23 -11.742 -3.256 1.199 141 H THR 24 H THR 24 -7.323 -1.345 1.885 142 HA THR 24 HA THR 24 -8.210 -1.118 -0.916 143 HB THR 24 HB THR 24 -8.436 1.341 -0.431 144 HG1 THR 24 HG1 THR 24 -8.656 0.856 2.285 145 HG21 THR 24 3HG2 THR 24 -10.174 -0.328 1.374 146 HG22 THR 24 1HG2 THR 24 -10.326 -0.355 -0.382 147 HG23 THR 24 2HG2 THR 24 -10.602 1.145 0.505 148 H LYS 25 H LYS 25 -6.951 0.067 -2.376 149 HA LYS 25 HA LYS 25 -4.153 -0.165 -2.043 150 HB2 LYS 25 1HB LYS 25 -5.054 -0.303 -4.252 151 HB3 LYS 25 2HB LYS 25 -5.841 1.263 -4.097 152 HG2 LYS 25 1HG LYS 25 -3.892 2.430 -4.426 153 HG3 LYS 25 2HG LYS 25 -2.875 1.101 -3.866 154 HD2 LYS 25 1HD LYS 25 -4.494 0.687 -6.326 155 HD3 LYS 25 2HD LYS 25 -3.072 1.726 -6.433 156 HE2 LYS 25 1HE LYS 25 -1.664 -0.052 -5.602 157 HE3 LYS 25 2HE LYS 25 -3.068 -1.085 -5.341 158 HZ1 LYS 25 3HZ LYS 25 -2.938 -0.135 -8.026 159 HZ2 LYS 25 1HZ LYS 25 -3.038 -1.724 -7.452 160 HZ3 LYS 25 2HZ LYS 25 -1.530 -0.972 -7.602 161 H SER 26 H SER 26 -6.282 2.687 -2.152 162 HA SER 26 HA SER 26 -4.492 4.718 -1.887 163 HB2 SER 26 1HB SER 26 -7.082 4.532 -0.331 164 HB3 SER 26 2HB SER 26 -6.232 6.008 -0.786 165 HG SER 26 HG SER 26 -6.550 5.250 -3.019 166 H ASN 27 H ASN 27 -5.761 2.701 0.742 167 HA ASN 27 HA ASN 27 -4.404 4.013 2.835 168 HB2 ASN 27 1HB ASN 27 -5.733 1.357 2.508 169 HB3 ASN 27 2HB ASN 27 -4.706 1.613 3.915 170 HD21 ASN 27 1HD2 ASN 27 -7.050 3.595 2.130 171 HD22 ASN 27 2HD2 ASN 27 -7.981 4.040 3.515 172 H LEU 28 H LEU 28 -3.541 1.233 0.823 173 HA LEU 28 HA LEU 28 -1.183 0.512 2.156 174 HB2 LEU 28 1HB LEU 28 -2.104 -1.008 0.600 175 HB3 LEU 28 2HB LEU 28 -2.086 0.190 -0.692 176 HG LEU 28 HG LEU 28 0.405 0.086 -0.664 177 HD11 LEU 28 1HD1 LEU 28 0.285 -0.946 1.750 178 HD12 LEU 28 2HD1 LEU 28 1.595 -1.362 0.645 179 HD13 LEU 28 3HD1 LEU 28 0.236 -2.466 0.856 180 HD21 LEU 28 3HD2 LEU 28 -1.406 -1.560 -1.890 181 HD22 LEU 28 1HD2 LEU 28 -0.298 -2.709 -1.141 182 HD23 LEU 28 2HD2 LEU 28 0.319 -1.487 -2.253 183 H ILE 29 H ILE 29 -1.560 2.467 -0.805 184 HA ILE 29 HA ILE 29 0.968 3.186 -1.373 185 HB ILE 29 HB ILE 29 -1.366 5.102 -1.270 186 HG12 ILE 29 1HG1 ILE 29 -0.294 3.555 -3.633 187 HG13 ILE 29 2HG1 ILE 29 -1.625 2.981 -2.634 188 HG21 ILE 29 1HG2 ILE 29 -0.135 6.413 -2.918 189 HG22 ILE 29 2HG2 ILE 29 0.775 6.269 -1.415 190 HG23 ILE 29 3HG2 ILE 29 1.219 5.289 -2.812 191 HD11 ILE 29 3HD1 ILE 29 -1.706 5.665 -3.958 192 HD12 ILE 29 1HD1 ILE 29 -2.188 4.194 -4.803 193 HD13 ILE 29 2HD1 ILE 29 -3.041 4.691 -3.342 194 H VAL 30 H VAL 30 -1.039 4.922 1.012 195 HA VAL 30 HA VAL 30 0.954 6.678 1.899 196 HB VAL 30 HB VAL 30 -1.428 5.598 3.412 197 HG11 VAL 30 1HG1 VAL 30 0.205 8.066 3.993 198 HG12 VAL 30 2HG1 VAL 30 -1.169 7.456 4.918 199 HG13 VAL 30 3HG1 VAL 30 0.341 6.545 4.874 200 HG21 VAL 30 3HG2 VAL 30 -2.700 7.242 2.485 201 HG22 VAL 30 1HG2 VAL 30 -1.336 8.345 2.301 202 HG23 VAL 30 2HG2 VAL 30 -1.556 7.018 1.161 203 H HIS 31 H HIS 31 0.213 3.376 2.789 204 HA HIS 31 HA HIS 31 1.946 3.368 5.089 205 HB2 HIS 31 1HB HIS 31 0.159 1.853 5.260 206 HB3 HIS 31 2HB HIS 31 0.390 1.255 3.620 207 HD1 HIS 31 HD1 HIS 31 1.760 0.929 7.097 208 HD2 HIS 31 HD2 HIS 31 2.235 -0.807 3.353 209 HE1 HIS 31 HE1 HIS 31 3.145 -1.134 7.483 210 H GLN 32 H GLN 32 2.329 2.978 1.720 211 HA GLN 32 HA GLN 32 4.754 1.399 1.923 212 HB2 GLN 32 1HB GLN 32 3.112 2.493 -0.324 213 HB3 GLN 32 2HB GLN 32 4.780 2.030 -0.632 214 HG2 GLN 32 1HG GLN 32 4.009 -0.179 0.600 215 HG3 GLN 32 2HG GLN 32 2.430 0.348 0.021 216 HE21 GLN 32 1HE2 GLN 32 1.878 -0.456 -1.861 217 HE22 GLN 32 2HE2 GLN 32 2.952 -0.918 -3.133 218 H ARG 33 H ARG 33 3.814 4.717 1.136 219 HA ARG 33 HA ARG 33 6.331 5.688 0.403 220 HB2 ARG 33 1HB ARG 33 5.396 7.928 1.120 221 HB3 ARG 33 2HB ARG 33 4.438 7.041 -0.059 222 HG2 ARG 33 1HG ARG 33 2.932 6.301 1.709 223 HG3 ARG 33 2HG ARG 33 3.900 7.170 2.901 224 HD2 ARG 33 1HD ARG 33 2.190 8.666 2.472 225 HD3 ARG 33 2HD ARG 33 3.459 9.226 1.384 226 HE ARG 33 HE ARG 33 1.583 7.351 0.231 227 HH11 ARG 33 1HH1 ARG 33 2.401 10.690 0.779 228 HH12 ARG 33 2HH1 ARG 33 1.443 11.277 -0.540 229 HH21 ARG 33 1HH2 ARG 33 0.318 8.111 -1.508 230 HH22 ARG 33 2HH2 ARG 33 0.258 9.809 -1.840 231 H THR 34 H THR 34 4.745 5.619 3.580 232 HA THR 34 HA THR 34 6.579 6.973 5.106 233 HB THR 34 HB THR 34 4.446 6.060 5.977 234 HG1 THR 34 HG1 THR 34 6.903 5.695 7.291 235 HG21 THR 34 3HG2 THR 34 4.100 3.815 6.452 236 HG22 THR 34 1HG2 THR 34 5.822 3.440 6.435 237 HG23 THR 34 2HG2 THR 34 4.970 3.739 4.921 238 H HIS 35 H HIS 35 6.725 3.607 4.032 239 HA HIS 35 HA HIS 35 8.911 2.741 5.506 240 HB2 HIS 35 1HB HIS 35 7.879 1.989 2.782 241 HB3 HIS 35 2HB HIS 35 9.316 1.224 3.453 242 HD1 HIS 35 HD1 HIS 35 8.527 0.679 6.296 243 HD2 HIS 35 HD2 HIS 35 5.911 0.167 3.109 244 HE1 HIS 35 HE1 HIS 35 6.791 -0.951 7.106 245 H THR 36 H THR 36 9.036 3.821 2.106 246 HA THR 36 HA THR 36 11.848 4.082 2.066 247 HB THR 36 HB THR 36 10.183 5.725 0.215 248 HG1 THR 36 HG1 THR 36 10.081 3.495 -0.943 249 HG21 THR 36 3HG2 THR 36 12.631 5.599 -0.025 250 HG22 THR 36 1HG2 THR 36 11.797 4.923 -1.424 251 HG23 THR 36 2HG2 THR 36 12.512 3.851 -0.220 252 H GLY 37 H GLY 37 9.321 6.610 2.078 253 HA2 GLY 37 1HA GLY 37 11.096 8.765 2.442 254 HA3 GLY 37 2HA GLY 37 9.374 8.792 2.789 255 H GLU 38 H GLU 38 11.506 10.065 4.275 256 HA GLU 38 HA GLU 38 12.285 10.331 6.403 257 HB2 GLU 38 1HB GLU 38 9.534 9.192 6.780 258 HB3 GLU 38 2HB GLU 38 10.544 9.551 8.174 259 HG2 GLU 38 1HG GLU 38 10.779 11.886 7.237 260 HG3 GLU 38 2HG GLU 38 9.495 11.457 6.108 261 H LYS 39 H LYS 39 13.353 8.089 5.160 262 HA LYS 39 HA LYS 39 13.169 5.685 6.562 263 HB2 LYS 39 1HB LYS 39 15.375 5.158 5.604 264 HB3 LYS 39 2HB LYS 39 14.287 5.846 4.406 265 HG2 LYS 39 1HG LYS 39 16.159 7.030 3.923 266 HG3 LYS 39 2HG LYS 39 15.471 8.091 5.154 267 HD2 LYS 39 1HD LYS 39 16.871 6.902 6.849 268 HD3 LYS 39 2HD LYS 39 17.645 6.032 5.522 269 HE2 LYS 39 1HE LYS 39 18.690 7.934 4.715 270 HE3 LYS 39 2HE LYS 39 17.536 9.019 5.489 271 HZ1 LYS 39 3HZ LYS 39 19.830 8.889 6.503 272 HZ2 LYS 39 1HZ LYS 39 19.409 7.345 7.052 273 HZ3 LYS 39 2HZ LYS 39 18.531 8.694 7.569 274 HA PRO 40 HA PRO 40 15.095 6.502 10.434 275 HB2 PRO 40 1HB PRO 40 15.879 3.981 11.070 276 HB3 PRO 40 2HB PRO 40 14.193 4.508 11.135 277 HG2 PRO 40 1HG PRO 40 15.614 2.964 9.000 278 HG3 PRO 40 2HG PRO 40 13.998 2.703 9.682 279 HD2 PRO 40 1HD PRO 40 14.396 3.945 7.308 280 HD3 PRO 40 2HD PRO 40 13.049 4.358 8.388 281 H SER 41 H SER 41 17.161 6.340 11.556 282 HA SER 41 HA SER 41 19.361 6.755 9.768 283 HB2 SER 41 1HB SER 41 20.636 7.303 11.755 284 HB3 SER 41 2HB SER 41 19.041 8.046 11.882 285 HG SER 41 HG SER 41 18.550 5.940 13.055 286 H GLY 42 H GLY 42 20.452 5.141 8.868 287 HA2 GLY 42 1HA GLY 42 20.953 2.726 10.498 288 HA3 GLY 42 2HA GLY 42 20.633 2.659 8.771 289 HA PRO 43 HA PRO 43 25.018 4.652 9.261 290 HB2 PRO 43 1HB PRO 43 26.104 4.583 11.749 291 HB3 PRO 43 2HB PRO 43 25.129 5.937 11.163 292 HG2 PRO 43 1HG PRO 43 24.329 3.645 12.915 293 HG3 PRO 43 2HG PRO 43 23.925 5.365 13.069 294 HD2 PRO 43 1HD PRO 43 22.204 3.551 12.030 295 HD3 PRO 43 2HD PRO 43 22.251 5.241 11.489 296 H SER 44 H SER 44 25.554 2.771 8.122 297 HA SER 44 HA SER 44 27.258 0.936 9.572 298 HB2 SER 44 1HB SER 44 24.805 0.049 9.558 299 HB3 SER 44 2HB SER 44 25.129 -0.321 7.864 300 HG SER 44 HG SER 44 25.740 -2.116 8.935 301 H SER 45 H SER 45 28.840 0.042 8.306 302 HA SER 45 HA SER 45 28.927 1.000 5.530 303 HB2 SER 45 1HB SER 45 30.763 1.592 7.232 304 HB3 SER 45 2HB SER 45 31.273 -0.089 7.079 305 HG SER 45 HG SER 45 31.346 0.364 4.747 306 H GLY 46 H GLY 46 27.656 -0.673 4.642 307 HA2 GLY 46 1HA GLY 46 27.571 -2.609 3.371 308 HA3 GLY 46 2HA GLY 46 29.175 -3.023 3.957 Start of MODEL 13 1 H1 GLY 1 H GLY 1 4.291 -37.601 -0.032 2 HA2 GLY 1 1HA GLY 1 2.436 -36.335 0.478 3 HA3 GLY 1 2HA GLY 1 2.374 -37.355 1.908 4 H SER 2 H SER 2 2.568 -34.223 0.826 5 HA SER 2 HA SER 2 3.782 -33.294 3.344 6 HB2 SER 2 1HB SER 2 4.238 -31.171 2.175 7 HB3 SER 2 2HB SER 2 4.991 -32.536 1.349 8 HG SER 2 HG SER 2 2.677 -31.090 0.614 9 H SER 3 H SER 3 1.868 -33.460 4.551 10 HA SER 3 HA SER 3 -0.475 -31.978 3.687 11 HB2 SER 3 1HB SER 3 0.089 -33.637 6.153 12 HB3 SER 3 2HB SER 3 -1.440 -32.808 5.860 13 HG SER 3 HG SER 3 -1.666 -34.054 3.961 14 H GLY 4 H GLY 4 -0.915 -29.945 4.237 15 HA2 GLY 4 1HA GLY 4 0.112 -28.842 6.732 16 HA3 GLY 4 2HA GLY 4 0.690 -28.084 5.255 17 H SER 5 H SER 5 -0.492 -26.365 6.763 18 HA SER 5 HA SER 5 -3.351 -26.288 6.445 19 HB2 SER 5 1HB SER 5 -3.232 -24.150 7.593 20 HB3 SER 5 2HB SER 5 -2.196 -25.310 8.422 21 HG SER 5 HG SER 5 -0.563 -24.065 8.019 22 H SER 6 H SER 6 -4.526 -24.702 5.269 23 HA SER 6 HA SER 6 -3.243 -24.010 2.749 24 HB2 SER 6 1HB SER 6 -6.076 -24.198 3.700 25 HB3 SER 6 2HB SER 6 -5.710 -23.224 2.276 26 HG SER 6 HG SER 6 -5.991 -25.158 1.398 27 H GLY 7 H GLY 7 -2.417 -22.067 2.378 28 HA2 GLY 7 1HA GLY 7 -2.380 -19.966 4.187 29 HA3 GLY 7 2HA GLY 7 -2.053 -19.802 2.468 30 H THR 8 H THR 8 -4.366 -19.369 5.001 31 HA THR 8 HA THR 8 -6.381 -18.396 3.108 32 HB THR 8 HB THR 8 -7.838 -18.227 5.166 33 HG1 THR 8 HG1 THR 8 -5.885 -18.292 6.592 34 HG21 THR 8 3HG2 THR 8 -6.742 -20.995 4.690 35 HG22 THR 8 1HG2 THR 8 -7.815 -20.168 3.562 36 HG23 THR 8 2HG2 THR 8 -8.374 -20.551 5.190 37 H GLY 9 H GLY 9 -7.518 -16.363 3.652 38 HA2 GLY 9 1HA GLY 9 -7.589 -14.157 4.366 39 HA3 GLY 9 2HA GLY 9 -6.166 -14.464 5.352 40 H GLU 10 H GLU 10 -7.043 -14.301 1.897 41 HA GLU 10 HA GLU 10 -4.441 -13.049 1.374 42 HB2 GLU 10 1HB GLU 10 -6.425 -14.455 -0.403 43 HB3 GLU 10 2HB GLU 10 -5.112 -13.488 -1.059 44 HG2 GLU 10 1HG GLU 10 -4.440 -15.774 -1.058 45 HG3 GLU 10 2HG GLU 10 -3.509 -14.922 0.172 46 H LYS 11 H LYS 11 -4.309 -10.945 0.982 47 HA LYS 11 HA LYS 11 -6.785 -9.436 0.563 48 HB2 LYS 11 1HB LYS 11 -4.028 -8.654 1.493 49 HB3 LYS 11 2HB LYS 11 -5.225 -7.453 1.025 50 HG2 LYS 11 1HG LYS 11 -5.711 -9.530 3.144 51 HG3 LYS 11 2HG LYS 11 -5.066 -7.922 3.480 52 HD2 LYS 11 1HD LYS 11 -7.059 -6.884 2.625 53 HD3 LYS 11 2HD LYS 11 -7.684 -8.441 2.075 54 HE2 LYS 11 1HE LYS 11 -8.827 -8.208 4.047 55 HE3 LYS 11 2HE LYS 11 -7.402 -9.083 4.607 56 HZ1 LYS 11 3HZ LYS 11 -8.235 -6.918 5.804 57 HZ2 LYS 11 1HZ LYS 11 -7.308 -6.158 4.609 58 HZ3 LYS 11 2HZ LYS 11 -6.584 -7.261 5.667 59 HA PRO 12 HA PRO 12 -5.916 -8.504 -3.640 60 HB2 PRO 12 1HB PRO 12 -6.984 -6.017 -3.847 61 HB3 PRO 12 2HB PRO 12 -7.970 -7.477 -3.708 62 HG2 PRO 12 1HG PRO 12 -7.200 -5.504 -1.593 63 HG3 PRO 12 2HG PRO 12 -8.770 -6.273 -1.886 64 HD2 PRO 12 1HD PRO 12 -7.070 -7.122 0.042 65 HD3 PRO 12 2HD PRO 12 -8.152 -8.227 -0.830 66 H PHE 13 H PHE 13 -4.895 -6.221 -1.175 67 HA PHE 13 HA PHE 13 -2.717 -5.353 -2.960 68 HB2 PHE 13 1HB PHE 13 -3.946 -3.697 -0.750 69 HB3 PHE 13 2HB PHE 13 -2.754 -3.173 -1.935 70 HD1 PHE 13 HD1 PHE 13 -3.444 -3.123 -4.377 71 HD2 PHE 13 HD2 PHE 13 -6.226 -3.493 -1.177 72 HE1 PHE 13 HE1 PHE 13 -5.253 -2.376 -5.869 73 HE2 PHE 13 HE2 PHE 13 -8.039 -2.748 -2.663 74 HZ PHE 13 HZ PHE 13 -7.555 -2.189 -5.013 75 H GLU 14 H GLU 14 -0.721 -5.763 -2.268 76 HA GLU 14 HA GLU 14 -0.253 -6.123 0.607 77 HB2 GLU 14 1HB GLU 14 -0.489 -8.361 -0.249 78 HB3 GLU 14 2HB GLU 14 0.595 -8.015 -1.588 79 HG2 GLU 14 1HG GLU 14 1.660 -7.656 1.150 80 HG3 GLU 14 2HG GLU 14 1.378 -9.304 0.592 81 H CYS 15 H CYS 15 1.402 -4.945 1.293 82 HA CYS 15 HA CYS 15 2.853 -3.176 -0.203 83 HB2 CYS 15 1HB CYS 15 2.706 -3.605 2.405 84 HB3 CYS 15 2HB CYS 15 4.223 -4.453 2.124 85 H SER 16 H SER 16 5.384 -3.233 -0.299 86 HA SER 16 HA SER 16 6.177 -5.792 -1.528 87 HB2 SER 16 1HB SER 16 6.799 -2.968 -2.404 88 HB3 SER 16 2HB SER 16 7.661 -4.378 -3.019 89 HG SER 16 HG SER 16 5.948 -4.959 -4.141 90 H GLU 17 H GLU 17 7.006 -3.181 0.590 91 HA GLU 17 HA GLU 17 9.765 -4.009 0.881 92 HB2 GLU 17 1HB GLU 17 8.078 -1.872 2.163 93 HB3 GLU 17 2HB GLU 17 9.688 -2.251 2.758 94 HG2 GLU 17 1HG GLU 17 8.981 -1.300 -0.007 95 HG3 GLU 17 2HG GLU 17 9.769 -0.362 1.260 96 H CYS 18 H CYS 18 6.992 -3.717 3.109 97 HA CYS 18 HA CYS 18 8.270 -5.616 4.920 98 HB2 CYS 18 1HB CYS 18 6.455 -5.003 6.482 99 HB3 CYS 18 2HB CYS 18 7.350 -3.595 5.919 100 H GLN 19 H GLN 19 5.790 -5.471 2.548 101 HA GLN 19 HA GLN 19 4.478 -7.096 1.633 102 HB2 GLN 19 1HB GLN 19 5.694 -9.040 3.592 103 HB3 GLN 19 2HB GLN 19 4.939 -9.400 2.045 104 HG2 GLN 19 1HG GLN 19 6.875 -7.841 1.148 105 HG3 GLN 19 2HG GLN 19 7.651 -8.364 2.642 106 HE21 GLN 19 1HE2 GLN 19 6.429 -9.349 -0.456 107 HE22 GLN 19 2HE2 GLN 19 7.168 -10.911 -0.479 108 H LYS 20 H LYS 20 3.310 -5.476 3.437 109 HA LYS 20 HA LYS 20 1.888 -7.073 5.404 110 HB2 LYS 20 1HB LYS 20 2.728 -4.550 5.539 111 HB3 LYS 20 2HB LYS 20 1.144 -4.244 4.838 112 HG2 LYS 20 1HG LYS 20 0.534 -4.140 7.002 113 HG3 LYS 20 2HG LYS 20 0.431 -5.893 6.823 114 HD2 LYS 20 1HD LYS 20 3.068 -4.754 7.559 115 HD3 LYS 20 2HD LYS 20 1.804 -4.727 8.790 116 HE2 LYS 20 1HE LYS 20 2.569 -7.200 7.252 117 HE3 LYS 20 2HE LYS 20 3.296 -6.758 8.796 118 HZ1 LYS 20 3HZ LYS 20 1.592 -7.718 9.803 119 HZ2 LYS 20 1HZ LYS 20 0.857 -8.072 8.321 120 HZ3 LYS 20 2HZ LYS 20 0.532 -6.605 9.097 121 H ALA 21 H ALA 21 -0.495 -6.941 5.533 122 HA ALA 21 HA ALA 21 -1.662 -7.154 2.844 123 HB1 ALA 21 3HB ALA 21 -1.678 -9.093 4.563 124 HB2 ALA 21 1HB ALA 21 -2.992 -8.189 5.315 125 HB3 ALA 21 2HB ALA 21 -3.143 -8.742 3.647 126 H PHE 22 H PHE 22 -2.862 -5.505 2.190 127 HA PHE 22 HA PHE 22 -4.282 -3.904 4.215 128 HB2 PHE 22 1HB PHE 22 -3.070 -3.118 1.568 129 HB3 PHE 22 2HB PHE 22 -4.237 -2.100 2.405 130 HD1 PHE 22 HD2 PHE 22 -0.846 -3.483 2.488 131 HD2 PHE 22 HD1 PHE 22 -3.642 -0.902 4.395 132 HE1 PHE 22 HE2 PHE 22 0.973 -2.508 3.828 133 HE2 PHE 22 HE1 PHE 22 -1.827 0.078 5.738 134 HZ PHE 22 HZ PHE 22 0.484 -0.726 5.456 135 H ASN 23 H ASN 23 -6.224 -2.711 3.192 136 HA ASN 23 HA ASN 23 -7.824 -4.733 1.793 137 HB2 ASN 23 1HB ASN 23 -8.876 -2.258 3.160 138 HB3 ASN 23 2HB ASN 23 -9.758 -3.720 2.729 139 HD21 ASN 23 1HD2 ASN 23 -7.542 -2.259 4.963 140 HD22 ASN 23 2HD2 ASN 23 -7.641 -3.484 6.178 141 H THR 24 H THR 24 -7.201 -1.231 1.786 142 HA THR 24 HA THR 24 -8.067 -1.171 -1.031 143 HB THR 24 HB THR 24 -8.456 1.287 -0.660 144 HG1 THR 24 HG1 THR 24 -8.525 0.713 2.102 145 HG21 THR 24 3HG2 THR 24 -10.059 -0.938 0.088 146 HG22 THR 24 1HG2 THR 24 -10.581 0.646 -0.485 147 HG23 THR 24 2HG2 THR 24 -10.355 0.362 1.241 148 H LYS 25 H LYS 25 -6.763 -0.222 -2.543 149 HA LYS 25 HA LYS 25 -4.012 -0.224 -2.183 150 HB2 LYS 25 1HB LYS 25 -5.200 -0.312 -4.376 151 HB3 LYS 25 2HB LYS 25 -5.542 1.406 -4.219 152 HG2 LYS 25 1HG LYS 25 -3.392 2.020 -4.657 153 HG3 LYS 25 2HG LYS 25 -2.715 0.524 -4.009 154 HD2 LYS 25 1HD LYS 25 -2.374 0.245 -6.274 155 HD3 LYS 25 2HD LYS 25 -3.922 -0.573 -6.047 156 HE2 LYS 25 1HE LYS 25 -3.949 2.329 -6.690 157 HE3 LYS 25 2HE LYS 25 -3.539 1.200 -7.979 158 HZ1 LYS 25 3HZ LYS 25 -5.903 1.655 -7.944 159 HZ2 LYS 25 1HZ LYS 25 -6.013 1.135 -6.338 160 HZ3 LYS 25 2HZ LYS 25 -5.618 0.032 -7.558 161 H SER 26 H SER 26 -6.193 2.591 -2.332 162 HA SER 26 HA SER 26 -4.460 4.655 -2.026 163 HB2 SER 26 1HB SER 26 -6.246 5.879 -0.868 164 HB3 SER 26 2HB SER 26 -6.899 4.939 -2.209 165 HG SER 26 HG SER 26 -8.229 4.424 -0.594 166 H ASN 27 H ASN 27 -5.757 2.659 0.614 167 HA ASN 27 HA ASN 27 -4.417 3.979 2.705 168 HB2 ASN 27 1HB ASN 27 -5.752 1.332 2.376 169 HB3 ASN 27 2HB ASN 27 -4.707 1.560 3.775 170 HD21 ASN 27 1HD2 ASN 27 -6.768 1.200 4.900 171 HD22 ASN 27 2HD2 ASN 27 -7.790 2.563 5.191 172 H LEU 28 H LEU 28 -3.519 1.187 0.724 173 HA LEU 28 HA LEU 28 -1.155 0.520 2.089 174 HB2 LEU 28 1HB LEU 28 -2.081 -1.056 0.584 175 HB3 LEU 28 2HB LEU 28 -2.047 0.095 -0.750 176 HG LEU 28 HG LEU 28 0.397 -0.036 -0.800 177 HD11 LEU 28 1HD1 LEU 28 1.650 -1.468 0.579 178 HD12 LEU 28 2HD1 LEU 28 0.207 -2.266 1.204 179 HD13 LEU 28 3HD1 LEU 28 0.566 -0.603 1.668 180 HD21 LEU 28 3HD2 LEU 28 -1.264 -1.728 -1.929 181 HD22 LEU 28 1HD2 LEU 28 -0.505 -2.875 -0.825 182 HD23 LEU 28 2HD2 LEU 28 0.480 -1.992 -1.992 183 H ILE 29 H ILE 29 -1.627 2.467 -0.857 184 HA ILE 29 HA ILE 29 0.973 3.165 -1.393 185 HB ILE 29 HB ILE 29 -1.430 4.982 -1.628 186 HG12 ILE 29 1HG1 ILE 29 -0.231 3.322 -3.832 187 HG13 ILE 29 2HG1 ILE 29 -1.445 2.646 -2.750 188 HG21 ILE 29 1HG2 ILE 29 1.172 5.700 -1.912 189 HG22 ILE 29 2HG2 ILE 29 0.771 5.207 -3.556 190 HG23 ILE 29 3HG2 ILE 29 -0.175 6.463 -2.758 191 HD11 ILE 29 3HD1 ILE 29 -3.118 3.833 -3.674 192 HD12 ILE 29 1HD1 ILE 29 -2.102 5.240 -3.980 193 HD13 ILE 29 2HD1 ILE 29 -2.030 3.849 -5.062 194 H VAL 30 H VAL 30 -1.283 4.905 0.746 195 HA VAL 30 HA VAL 30 0.456 6.928 1.559 196 HB VAL 30 HB VAL 30 -1.739 5.655 3.201 197 HG11 VAL 30 1HG1 VAL 30 -1.807 7.736 4.417 198 HG12 VAL 30 2HG1 VAL 30 -0.167 7.088 4.471 199 HG13 VAL 30 3HG1 VAL 30 -0.554 8.422 3.384 200 HG21 VAL 30 3HG2 VAL 30 -2.041 6.816 0.759 201 HG22 VAL 30 1HG2 VAL 30 -3.280 6.778 2.014 202 HG23 VAL 30 2HG2 VAL 30 -2.251 8.199 1.833 203 H HIS 31 H HIS 31 0.140 3.616 2.640 204 HA HIS 31 HA HIS 31 1.760 3.942 4.982 205 HB2 HIS 31 1HB HIS 31 0.357 2.123 5.212 206 HB3 HIS 31 2HB HIS 31 0.541 1.634 3.530 207 HD1 HIS 31 HD1 HIS 31 2.703 1.755 6.663 208 HD2 HIS 31 HD2 HIS 31 2.130 -0.531 3.241 209 HE1 HIS 31 HE1 HIS 31 4.261 -0.206 6.895 210 H GLN 32 H GLN 32 2.304 2.276 1.874 211 HA GLN 32 HA GLN 32 4.853 1.448 2.081 212 HB2 GLN 32 1HB GLN 32 3.433 2.753 -0.219 213 HB3 GLN 32 2HB GLN 32 5.109 2.245 -0.382 214 HG2 GLN 32 1HG GLN 32 4.558 -0.022 -0.032 215 HG3 GLN 32 2HG GLN 32 2.934 0.384 0.522 216 HE21 GLN 32 1HE2 GLN 32 2.727 -1.395 -1.235 217 HE22 GLN 32 2HE2 GLN 32 2.380 -0.812 -2.823 218 H ARG 33 H ARG 33 3.847 4.795 1.568 219 HA ARG 33 HA ARG 33 6.315 5.964 1.086 220 HB2 ARG 33 1HB ARG 33 4.396 7.418 2.839 221 HB3 ARG 33 2HB ARG 33 5.277 7.984 1.426 222 HG2 ARG 33 1HG ARG 33 3.733 6.438 0.086 223 HG3 ARG 33 2HG ARG 33 2.741 6.397 1.545 224 HD2 ARG 33 1HD ARG 33 3.632 8.981 0.302 225 HD3 ARG 33 2HD ARG 33 2.174 8.147 -0.234 226 HE ARG 33 HE ARG 33 1.145 8.684 1.776 227 HH11 ARG 33 1HH1 ARG 33 4.488 9.655 1.789 228 HH12 ARG 33 2HH1 ARG 33 4.330 10.647 3.200 229 HH21 ARG 33 1HH2 ARG 33 0.924 9.988 3.635 230 HH22 ARG 33 2HH2 ARG 33 2.303 10.835 4.250 231 H THR 34 H THR 34 4.750 5.233 4.180 232 HA THR 34 HA THR 34 6.410 6.440 5.973 233 HB THR 34 HB THR 34 5.866 4.711 7.579 234 HG1 THR 34 HG1 THR 34 4.533 2.886 6.540 235 HG21 THR 34 3HG2 THR 34 3.300 4.442 6.780 236 HG22 THR 34 1HG2 THR 34 3.814 5.772 5.743 237 HG23 THR 34 2HG2 THR 34 3.952 5.916 7.496 238 H HIS 35 H HIS 35 7.211 3.894 3.809 239 HA HIS 35 HA HIS 35 9.449 2.852 5.237 240 HB2 HIS 35 1HB HIS 35 8.641 2.695 2.331 241 HB3 HIS 35 2HB HIS 35 10.057 1.877 2.984 242 HD1 HIS 35 HD1 HIS 35 8.999 0.653 5.521 243 HD2 HIS 35 HD2 HIS 35 6.828 0.720 1.980 244 HE1 HIS 35 HE1 HIS 35 7.335 -1.223 5.717 245 H THR 36 H THR 36 9.566 4.476 2.077 246 HA THR 36 HA THR 36 12.236 5.282 2.316 247 HB THR 36 HB THR 36 10.927 5.155 0.173 248 HG1 THR 36 HG1 THR 36 12.004 7.058 -0.691 249 HG21 THR 36 3HG2 THR 36 10.058 7.959 0.479 250 HG22 THR 36 1HG2 THR 36 9.126 6.763 1.380 251 HG23 THR 36 2HG2 THR 36 9.288 6.619 -0.370 252 H GLY 37 H GLY 37 9.246 6.851 3.275 253 HA2 GLY 37 1HA GLY 37 8.889 9.001 4.122 254 HA3 GLY 37 2HA GLY 37 10.017 8.364 5.309 255 H GLU 38 H GLU 38 10.096 9.823 2.054 256 HA GLU 38 HA GLU 38 12.246 11.586 3.010 257 HB2 GLU 38 1HB GLU 38 13.480 11.318 0.972 258 HB3 GLU 38 2HB GLU 38 13.160 9.717 1.625 259 HG2 GLU 38 1HG GLU 38 11.231 9.546 0.053 260 HG3 GLU 38 2HG GLU 38 11.763 11.061 -0.673 261 H LYS 39 H LYS 39 9.412 12.076 2.760 262 HA LYS 39 HA LYS 39 9.442 14.124 0.641 263 HB2 LYS 39 1HB LYS 39 7.818 12.334 0.183 264 HB3 LYS 39 2HB LYS 39 7.058 12.623 1.743 265 HG2 LYS 39 1HG LYS 39 5.755 13.650 0.004 266 HG3 LYS 39 2HG LYS 39 6.483 14.903 1.011 267 HD2 LYS 39 1HD LYS 39 7.998 15.522 -0.635 268 HD3 LYS 39 2HD LYS 39 7.863 13.978 -1.479 269 HE2 LYS 39 1HE LYS 39 5.729 14.540 -2.347 270 HE3 LYS 39 2HE LYS 39 5.587 15.936 -1.281 271 HZ1 LYS 39 3HZ LYS 39 7.693 16.725 -2.523 272 HZ2 LYS 39 1HZ LYS 39 6.185 16.887 -3.273 273 HZ3 LYS 39 2HZ LYS 39 7.216 15.620 -3.711 274 HA PRO 40 HA PRO 40 9.212 16.379 4.642 275 HB2 PRO 40 1HB PRO 40 10.678 18.493 3.773 276 HB3 PRO 40 2HB PRO 40 11.408 17.015 4.413 277 HG2 PRO 40 1HG PRO 40 11.006 17.851 1.567 278 HG3 PRO 40 2HG PRO 40 12.421 17.096 2.321 279 HD2 PRO 40 1HD PRO 40 10.628 15.691 0.858 280 HD3 PRO 40 2HD PRO 40 11.499 14.985 2.234 281 H SER 41 H SER 41 8.203 16.950 1.434 282 HA SER 41 HA SER 41 6.612 19.277 2.293 283 HB2 SER 41 1HB SER 41 8.325 19.554 0.390 284 HB3 SER 41 2HB SER 41 7.209 18.595 -0.581 285 HG SER 41 HG SER 41 7.014 21.202 0.274 286 H GLY 42 H GLY 42 5.712 16.748 2.938 287 HA2 GLY 42 1HA GLY 42 4.190 15.223 1.360 288 HA3 GLY 42 2HA GLY 42 3.602 15.765 2.924 289 HA PRO 43 HA PRO 43 0.289 17.859 0.969 290 HB2 PRO 43 1HB PRO 43 -0.091 19.954 2.655 291 HB3 PRO 43 2HB PRO 43 -0.527 18.293 3.073 292 HG2 PRO 43 1HG PRO 43 1.906 19.861 3.836 293 HG3 PRO 43 2HG PRO 43 0.905 18.792 4.836 294 HD2 PRO 43 1HD PRO 43 3.270 18.006 3.777 295 HD3 PRO 43 2HD PRO 43 1.918 16.884 4.030 296 H SER 44 H SER 44 -0.382 19.932 0.008 297 HA SER 44 HA SER 44 1.554 21.036 -1.642 298 HB2 SER 44 1HB SER 44 -0.970 21.132 -1.927 299 HB3 SER 44 2HB SER 44 -0.958 22.486 -0.797 300 HG SER 44 HG SER 44 0.590 23.470 -2.288 301 H SER 45 H SER 45 3.348 21.951 -0.832 302 HA SER 45 HA SER 45 3.869 23.195 1.485 303 HB2 SER 45 1HB SER 45 5.461 22.852 -0.461 304 HB3 SER 45 2HB SER 45 4.844 24.364 -1.126 305 HG SER 45 HG SER 45 5.598 25.435 0.697 306 H GLY 46 H GLY 46 2.526 24.535 2.534 307 HA2 GLY 46 1HA GLY 46 1.034 26.273 2.891 308 HA3 GLY 46 2HA GLY 46 2.346 27.199 2.177 Start of MODEL 14 1 H1 GLY 1 H GLY 1 6.564 -28.833 15.068 2 HA2 GLY 1 1HA GLY 1 7.279 -26.592 16.161 3 HA3 GLY 1 2HA GLY 1 7.879 -26.257 14.544 4 H SER 2 H SER 2 6.381 -26.015 12.823 5 HA SER 2 HA SER 2 3.551 -25.917 13.477 6 HB2 SER 2 1HB SER 2 5.171 -23.473 12.766 7 HB3 SER 2 2HB SER 2 3.427 -23.548 12.518 8 HG SER 2 HG SER 2 3.584 -24.311 14.902 9 H SER 3 H SER 3 2.259 -25.244 11.493 10 HA SER 3 HA SER 3 3.583 -26.285 9.073 11 HB2 SER 3 1HB SER 3 1.944 -27.889 9.855 12 HB3 SER 3 2HB SER 3 0.714 -26.631 9.975 13 HG SER 3 HG SER 3 1.125 -26.357 7.624 14 H GLY 4 H GLY 4 1.054 -24.113 10.290 15 HA2 GLY 4 1HA GLY 4 0.614 -21.941 9.553 16 HA3 GLY 4 2HA GLY 4 1.705 -22.204 8.201 17 H SER 5 H SER 5 -1.556 -22.519 9.367 18 HA SER 5 HA SER 5 -2.708 -23.984 7.298 19 HB2 SER 5 1HB SER 5 -3.753 -21.904 9.191 20 HB3 SER 5 2HB SER 5 -4.789 -22.511 7.898 21 HG SER 5 HG SER 5 -4.709 -24.519 8.763 22 H SER 6 H SER 6 -4.415 -22.924 5.778 23 HA SER 6 HA SER 6 -2.940 -21.257 3.961 24 HB2 SER 6 1HB SER 6 -4.531 -23.141 3.311 25 HB3 SER 6 2HB SER 6 -5.847 -22.037 3.711 26 HG SER 6 HG SER 6 -3.797 -21.258 1.942 27 H GLY 7 H GLY 7 -3.927 -19.298 2.974 28 HA2 GLY 7 1HA GLY 7 -5.024 -17.602 5.110 29 HA3 GLY 7 2HA GLY 7 -4.176 -17.030 3.681 30 H THR 8 H THR 8 -7.217 -18.060 4.998 31 HA THR 8 HA THR 8 -8.663 -18.010 2.532 32 HB THR 8 HB THR 8 -10.693 -17.963 4.031 33 HG1 THR 8 HG1 THR 8 -10.374 -18.092 6.229 34 HG21 THR 8 3HG2 THR 8 -9.910 -20.082 3.260 35 HG22 THR 8 1HG2 THR 8 -10.247 -20.251 4.982 36 HG23 THR 8 2HG2 THR 8 -8.583 -20.083 4.422 37 H GLY 9 H GLY 9 -8.399 -16.063 1.491 38 HA2 GLY 9 1HA GLY 9 -9.658 -14.023 1.104 39 HA3 GLY 9 2HA GLY 9 -9.637 -13.748 2.839 40 H GLU 10 H GLU 10 -7.256 -14.325 0.243 41 HA GLU 10 HA GLU 10 -5.244 -12.774 1.530 42 HB2 GLU 10 1HB GLU 10 -3.908 -13.179 -0.400 43 HB3 GLU 10 2HB GLU 10 -4.836 -14.643 -0.108 44 HG2 GLU 10 1HG GLU 10 -6.423 -13.974 -1.851 45 HG3 GLU 10 2HG GLU 10 -5.461 -12.529 -2.158 46 H LYS 11 H LYS 11 -4.908 -10.652 1.492 47 HA LYS 11 HA LYS 11 -6.742 -8.853 0.364 48 HB2 LYS 11 1HB LYS 11 -4.016 -8.568 1.577 49 HB3 LYS 11 2HB LYS 11 -4.780 -7.181 0.811 50 HG2 LYS 11 1HG LYS 11 -5.237 -7.087 3.146 51 HG3 LYS 11 2HG LYS 11 -6.736 -7.509 2.315 52 HD2 LYS 11 1HD LYS 11 -6.636 -9.737 3.022 53 HD3 LYS 11 2HD LYS 11 -4.923 -9.624 3.431 54 HE2 LYS 11 1HE LYS 11 -5.427 -8.195 5.312 55 HE3 LYS 11 2HE LYS 11 -7.132 -8.153 4.864 56 HZ1 LYS 11 3HZ LYS 11 -6.299 -10.830 5.121 57 HZ2 LYS 11 1HZ LYS 11 -7.467 -9.996 6.017 58 HZ3 LYS 11 2HZ LYS 11 -5.852 -9.985 6.516 59 HA PRO 12 HA PRO 12 -5.420 -8.513 -3.821 60 HB2 PRO 12 1HB PRO 12 -6.398 -6.043 -4.382 61 HB3 PRO 12 2HB PRO 12 -7.429 -7.469 -4.214 62 HG2 PRO 12 1HG PRO 12 -6.844 -5.309 -2.225 63 HG3 PRO 12 2HG PRO 12 -8.392 -6.081 -2.615 64 HD2 PRO 12 1HD PRO 12 -6.932 -6.761 -0.438 65 HD3 PRO 12 2HD PRO 12 -7.940 -7.930 -1.315 66 H PHE 13 H PHE 13 -4.729 -5.853 -1.595 67 HA PHE 13 HA PHE 13 -2.354 -5.189 -3.204 68 HB2 PHE 13 1HB PHE 13 -3.626 -3.420 -1.117 69 HB3 PHE 13 2HB PHE 13 -2.449 -2.968 -2.346 70 HD1 PHE 13 HD1 PHE 13 -3.134 -2.818 -4.714 71 HD2 PHE 13 HD2 PHE 13 -5.947 -3.489 -1.592 72 HE1 PHE 13 HE1 PHE 13 -4.962 -2.163 -6.226 73 HE2 PHE 13 HE2 PHE 13 -7.780 -2.836 -3.098 74 HZ PHE 13 HZ PHE 13 -7.288 -2.172 -5.418 75 H GLU 14 H GLU 14 -0.405 -5.569 -2.372 76 HA GLU 14 HA GLU 14 -0.098 -5.777 0.534 77 HB2 GLU 14 1HB GLU 14 -0.431 -8.060 -0.584 78 HB3 GLU 14 2HB GLU 14 1.153 -7.807 -1.304 79 HG2 GLU 14 1HG GLU 14 2.142 -7.629 0.917 80 HG3 GLU 14 2HG GLU 14 0.555 -7.872 1.645 81 H CYS 15 H CYS 15 1.811 -5.018 1.310 82 HA CYS 15 HA CYS 15 3.363 -3.320 -0.315 83 HB2 CYS 15 1HB CYS 15 2.991 -3.375 2.288 84 HB3 CYS 15 2HB CYS 15 4.425 -4.396 2.270 85 H SER 16 H SER 16 5.826 -3.493 -0.370 86 HA SER 16 HA SER 16 6.540 -6.219 -1.228 87 HB2 SER 16 1HB SER 16 7.758 -3.601 -2.139 88 HB3 SER 16 2HB SER 16 8.127 -5.205 -2.772 89 HG SER 16 HG SER 16 6.305 -5.209 -3.870 90 H GLU 17 H GLU 17 7.489 -3.469 0.701 91 HA GLU 17 HA GLU 17 10.089 -4.508 1.352 92 HB2 GLU 17 1HB GLU 17 8.441 -2.210 2.382 93 HB3 GLU 17 2HB GLU 17 9.960 -2.665 3.141 94 HG2 GLU 17 1HG GLU 17 10.103 -0.810 1.470 95 HG3 GLU 17 2HG GLU 17 11.195 -2.165 1.190 96 H CYS 18 H CYS 18 7.151 -3.930 3.295 97 HA CYS 18 HA CYS 18 8.116 -5.853 5.273 98 HB2 CYS 18 1HB CYS 18 6.352 -4.995 6.713 99 HB3 CYS 18 2HB CYS 18 7.289 -3.658 6.054 100 H GLN 19 H GLN 19 5.942 -5.635 2.656 101 HA GLN 19 HA GLN 19 4.488 -7.117 1.725 102 HB2 GLN 19 1HB GLN 19 5.600 -9.065 3.751 103 HB3 GLN 19 2HB GLN 19 4.680 -9.478 2.310 104 HG2 GLN 19 1HG GLN 19 7.261 -7.973 2.128 105 HG3 GLN 19 2HG GLN 19 7.226 -9.731 2.249 106 HE21 GLN 19 1HE2 GLN 19 8.369 -8.704 0.079 107 HE22 GLN 19 2HE2 GLN 19 7.366 -8.900 -1.314 108 H LYS 20 H LYS 20 3.411 -5.392 3.538 109 HA LYS 20 HA LYS 20 1.762 -6.862 5.413 110 HB2 LYS 20 1HB LYS 20 2.718 -4.591 5.907 111 HB3 LYS 20 2HB LYS 20 1.628 -3.931 4.694 112 HG2 LYS 20 1HG LYS 20 0.376 -3.565 6.548 113 HG3 LYS 20 2HG LYS 20 -0.178 -5.194 6.157 114 HD2 LYS 20 1HD LYS 20 1.527 -6.092 7.725 115 HD3 LYS 20 2HD LYS 20 1.931 -4.434 8.177 116 HE2 LYS 20 1HE LYS 20 0.435 -5.188 9.830 117 HE3 LYS 20 2HE LYS 20 -0.522 -4.155 8.768 118 HZ1 LYS 20 3HZ LYS 20 -0.495 -7.117 8.868 119 HZ2 LYS 20 1HZ LYS 20 -1.210 -6.248 7.604 120 HZ3 LYS 20 2HZ LYS 20 -1.794 -6.081 9.182 121 H ALA 21 H ALA 21 -0.480 -7.051 5.322 122 HA ALA 21 HA ALA 21 -1.582 -6.933 2.617 123 HB1 ALA 21 3HB ALA 21 -3.432 -8.299 3.609 124 HB2 ALA 21 1HB ALA 21 -1.839 -9.055 3.666 125 HB3 ALA 21 2HB ALA 21 -2.520 -8.321 5.119 126 H PHE 22 H PHE 22 -3.025 -5.457 2.004 127 HA PHE 22 HA PHE 22 -4.381 -3.882 4.094 128 HB2 PHE 22 1HB PHE 22 -3.115 -3.000 1.512 129 HB3 PHE 22 2HB PHE 22 -4.376 -2.040 2.278 130 HD1 PHE 22 HD2 PHE 22 -0.926 -3.217 2.513 131 HD2 PHE 22 HD1 PHE 22 -3.971 -0.885 4.360 132 HE1 PHE 22 HE2 PHE 22 0.761 -2.172 3.968 133 HE2 PHE 22 HE1 PHE 22 -2.288 0.164 5.817 134 HZ PHE 22 HZ PHE 22 0.081 -0.479 5.623 135 H ASN 23 H ASN 23 -6.430 -2.878 3.380 136 HA ASN 23 HA ASN 23 -7.963 -4.801 1.811 137 HB2 ASN 23 1HB ASN 23 -8.859 -2.481 3.536 138 HB3 ASN 23 2HB ASN 23 -9.939 -3.606 2.718 139 HD21 ASN 23 1HD2 ASN 23 -8.866 -2.892 5.616 140 HD22 ASN 23 2HD2 ASN 23 -8.785 -4.455 6.346 141 H THR 24 H THR 24 -7.375 -1.300 1.941 142 HA THR 24 HA THR 24 -8.387 -1.105 -0.820 143 HB THR 24 HB THR 24 -8.819 1.264 -0.398 144 HG1 THR 24 HG1 THR 24 -8.699 1.758 2.034 145 HG21 THR 24 3HG2 THR 24 -10.009 -0.652 1.603 146 HG22 THR 24 1HG2 THR 24 -10.670 -0.172 0.040 147 HG23 THR 24 2HG2 THR 24 -10.602 0.991 1.364 148 H LYS 25 H LYS 25 -7.241 0.162 -2.323 149 HA LYS 25 HA LYS 25 -4.435 -0.041 -2.180 150 HB2 LYS 25 1HB LYS 25 -6.072 0.188 -4.229 151 HB3 LYS 25 2HB LYS 25 -5.757 1.906 -4.028 152 HG2 LYS 25 1HG LYS 25 -3.444 1.626 -4.442 153 HG3 LYS 25 2HG LYS 25 -3.567 -0.131 -4.318 154 HD2 LYS 25 1HD LYS 25 -3.457 0.281 -6.620 155 HD3 LYS 25 2HD LYS 25 -5.175 0.029 -6.306 156 HE2 LYS 25 1HE LYS 25 -4.098 2.799 -6.166 157 HE3 LYS 25 2HE LYS 25 -4.311 2.064 -7.754 158 HZ1 LYS 25 3HZ LYS 25 -6.521 2.226 -7.613 159 HZ2 LYS 25 1HZ LYS 25 -6.235 3.352 -6.382 160 HZ3 LYS 25 2HZ LYS 25 -6.569 1.741 -5.993 161 H SER 26 H SER 26 -6.570 2.801 -1.973 162 HA SER 26 HA SER 26 -4.730 4.803 -1.684 163 HB2 SER 26 1HB SER 26 -7.358 4.489 -0.216 164 HB3 SER 26 2HB SER 26 -6.439 5.992 -0.310 165 HG SER 26 HG SER 26 -7.789 6.169 -1.981 166 H ASN 27 H ASN 27 -5.968 2.672 0.869 167 HA ASN 27 HA ASN 27 -4.595 3.842 3.015 168 HB2 ASN 27 1HB ASN 27 -5.701 1.085 2.535 169 HB3 ASN 27 2HB ASN 27 -4.833 1.468 4.019 170 HD21 ASN 27 1HD2 ASN 27 -6.698 1.093 5.235 171 HD22 ASN 27 2HD2 ASN 27 -7.995 2.232 5.282 172 H LEU 28 H LEU 28 -3.676 1.205 0.832 173 HA LEU 28 HA LEU 28 -1.229 0.582 2.086 174 HB2 LEU 28 1HB LEU 28 -2.127 -1.016 0.610 175 HB3 LEU 28 2HB LEU 28 -2.284 0.160 -0.693 176 HG LEU 28 HG LEU 28 0.165 0.207 -0.921 177 HD11 LEU 28 1HD1 LEU 28 1.100 -0.313 1.113 178 HD12 LEU 28 2HD1 LEU 28 1.306 -1.831 0.241 179 HD13 LEU 28 3HD1 LEU 28 -0.008 -1.654 1.404 180 HD21 LEU 28 3HD2 LEU 28 0.401 -1.956 -1.963 181 HD22 LEU 28 1HD2 LEU 28 -1.226 -1.340 -2.255 182 HD23 LEU 28 2HD2 LEU 28 -0.961 -2.588 -1.037 183 H ILE 29 H ILE 29 -1.900 2.535 -0.820 184 HA ILE 29 HA ILE 29 0.620 3.350 -1.480 185 HB ILE 29 HB ILE 29 -1.849 5.090 -1.495 186 HG12 ILE 29 1HG1 ILE 29 -0.698 3.491 -3.780 187 HG13 ILE 29 2HG1 ILE 29 -1.930 2.842 -2.704 188 HG21 ILE 29 1HG2 ILE 29 0.801 5.349 -2.897 189 HG22 ILE 29 2HG2 ILE 29 -0.645 6.232 -3.384 190 HG23 ILE 29 3HG2 ILE 29 0.048 6.490 -1.783 191 HD11 ILE 29 3HD1 ILE 29 -2.804 3.770 -4.831 192 HD12 ILE 29 1HD1 ILE 29 -3.494 4.509 -3.386 193 HD13 ILE 29 2HD1 ILE 29 -2.256 5.363 -4.308 194 H VAL 30 H VAL 30 -1.496 4.818 0.965 195 HA VAL 30 HA VAL 30 0.232 6.911 1.700 196 HB VAL 30 HB VAL 30 -1.853 5.509 3.379 197 HG11 VAL 30 1HG1 VAL 30 -1.716 7.212 4.934 198 HG12 VAL 30 2HG1 VAL 30 -0.022 6.985 4.494 199 HG13 VAL 30 3HG1 VAL 30 -0.942 8.323 3.804 200 HG21 VAL 30 3HG2 VAL 30 -3.355 6.505 2.081 201 HG22 VAL 30 1HG2 VAL 30 -2.684 8.072 2.535 202 HG23 VAL 30 2HG2 VAL 30 -2.072 7.229 1.111 203 H HIS 31 H HIS 31 0.022 3.560 2.721 204 HA HIS 31 HA HIS 31 1.806 3.835 4.938 205 HB2 HIS 31 1HB HIS 31 0.456 1.978 5.189 206 HB3 HIS 31 2HB HIS 31 0.543 1.552 3.483 207 HD1 HIS 31 HD1 HIS 31 2.443 1.216 6.704 208 HD2 HIS 31 HD2 HIS 31 2.612 -0.163 2.788 209 HE1 HIS 31 HE1 HIS 31 4.169 -0.613 6.709 210 H GLN 32 H GLN 32 2.176 2.288 1.743 211 HA GLN 32 HA GLN 32 4.722 1.486 1.715 212 HB2 GLN 32 1HB GLN 32 3.103 2.891 -0.363 213 HB3 GLN 32 2HB GLN 32 4.803 2.583 -0.690 214 HG2 GLN 32 1HG GLN 32 4.273 0.156 -0.038 215 HG3 GLN 32 2HG GLN 32 2.587 0.622 -0.254 216 HE21 GLN 32 1HE2 GLN 32 2.462 -0.898 -1.961 217 HE22 GLN 32 2HE2 GLN 32 3.094 -0.528 -3.525 218 H ARG 33 H ARG 33 3.778 4.875 1.161 219 HA ARG 33 HA ARG 33 6.146 6.092 0.718 220 HB2 ARG 33 1HB ARG 33 4.424 7.338 2.812 221 HB3 ARG 33 2HB ARG 33 5.179 8.069 1.401 222 HG2 ARG 33 1HG ARG 33 3.469 6.493 0.133 223 HG3 ARG 33 2HG ARG 33 2.588 6.655 1.653 224 HD2 ARG 33 1HD ARG 33 2.460 9.004 1.439 225 HD3 ARG 33 2HD ARG 33 3.662 9.026 0.150 226 HE ARG 33 HE ARG 33 1.562 7.499 -0.784 227 HH11 ARG 33 1HH1 ARG 33 2.049 10.770 0.303 228 HH12 ARG 33 2HH1 ARG 33 0.805 11.430 -0.707 229 HH21 ARG 33 1HH2 ARG 33 -0.078 8.355 -2.118 230 HH22 ARG 33 2HH2 ARG 33 -0.405 10.054 -2.083 231 H THR 34 H THR 34 4.930 5.121 3.908 232 HA THR 34 HA THR 34 6.785 6.137 5.603 233 HB THR 34 HB THR 34 6.462 4.215 7.063 234 HG1 THR 34 HG1 THR 34 5.576 3.009 4.665 235 HG21 THR 34 3HG2 THR 34 4.152 5.396 5.611 236 HG22 THR 34 1HG2 THR 34 4.598 5.517 7.313 237 HG23 THR 34 2HG2 THR 34 3.835 4.049 6.703 238 H HIS 35 H HIS 35 7.202 3.311 3.518 239 HA HIS 35 HA HIS 35 9.759 2.583 4.497 240 HB2 HIS 35 1HB HIS 35 8.338 1.990 1.900 241 HB3 HIS 35 2HB HIS 35 9.918 1.323 2.301 242 HD1 HIS 35 HD1 HIS 35 9.712 0.238 4.997 243 HD2 HIS 35 HD2 HIS 35 6.471 0.119 2.399 244 HE1 HIS 35 HE1 HIS 35 8.226 -1.599 5.859 245 H THR 36 H THR 36 9.004 3.894 1.269 246 HA THR 36 HA THR 36 11.466 4.581 0.406 247 HB THR 36 HB THR 36 10.399 6.572 -0.752 248 HG1 THR 36 HG1 THR 36 8.121 5.576 0.646 249 HG21 THR 36 3HG2 THR 36 10.497 4.343 -1.775 250 HG22 THR 36 1HG2 THR 36 9.008 5.183 -2.206 251 HG23 THR 36 2HG2 THR 36 8.981 3.914 -0.982 252 H GLY 37 H GLY 37 13.013 5.371 1.732 253 HA2 GLY 37 1HA GLY 37 13.277 8.063 2.248 254 HA3 GLY 37 2HA GLY 37 12.521 7.396 3.687 255 H GLU 38 H GLU 38 13.732 6.270 5.135 256 HA GLU 38 HA GLU 38 16.610 6.402 4.770 257 HB2 GLU 38 1HB GLU 38 16.752 5.839 7.128 258 HB3 GLU 38 2HB GLU 38 15.593 7.141 6.893 259 HG2 GLU 38 1HG GLU 38 13.797 5.356 6.920 260 HG3 GLU 38 2HG GLU 38 15.045 4.255 7.501 261 H LYS 39 H LYS 39 17.744 4.767 3.988 262 HA LYS 39 HA LYS 39 17.006 2.027 4.672 263 HB2 LYS 39 1HB LYS 39 15.992 2.763 2.412 264 HB3 LYS 39 2HB LYS 39 17.644 2.701 1.812 265 HG2 LYS 39 1HG LYS 39 16.607 0.330 3.263 266 HG3 LYS 39 2HG LYS 39 16.007 0.637 1.631 267 HD2 LYS 39 1HD LYS 39 18.566 0.947 1.104 268 HD3 LYS 39 2HD LYS 39 18.761 -0.042 2.553 269 HE2 LYS 39 1HE LYS 39 18.722 -1.586 0.796 270 HE3 LYS 39 2HE LYS 39 17.092 -1.643 1.465 271 HZ1 LYS 39 3HZ LYS 39 17.193 -1.560 -1.002 272 HZ2 LYS 39 1HZ LYS 39 17.843 -0.002 -0.889 273 HZ3 LYS 39 2HZ LYS 39 16.284 -0.312 -0.312 274 HA PRO 40 HA PRO 40 21.439 2.185 5.254 275 HB2 PRO 40 1HB PRO 40 21.629 -0.274 6.389 276 HB3 PRO 40 2HB PRO 40 21.067 1.150 7.272 277 HG2 PRO 40 1HG PRO 40 19.472 -1.042 6.002 278 HG3 PRO 40 2HG PRO 40 19.245 -0.261 7.578 279 HD2 PRO 40 1HD PRO 40 17.761 0.382 5.406 280 HD3 PRO 40 2HD PRO 40 18.181 1.566 6.660 281 H SER 41 H SER 41 19.909 -0.854 4.168 282 HA SER 41 HA SER 41 21.252 -0.931 1.696 283 HB2 SER 41 1HB SER 41 23.275 -1.365 2.909 284 HB3 SER 41 2HB SER 41 22.481 -2.574 3.917 285 HG SER 41 HG SER 41 22.781 -2.797 1.105 286 H GLY 42 H GLY 42 20.897 -2.979 0.536 287 HA2 GLY 42 1HA GLY 42 19.155 -4.949 1.711 288 HA3 GLY 42 2HA GLY 42 18.330 -3.880 0.586 289 HA PRO 43 HA PRO 43 20.339 -7.514 -1.642 290 HB2 PRO 43 1HB PRO 43 18.041 -8.619 -2.574 291 HB3 PRO 43 2HB PRO 43 18.751 -9.051 -1.014 292 HG2 PRO 43 1HG PRO 43 16.502 -7.169 -1.616 293 HG3 PRO 43 2HG PRO 43 16.635 -8.376 -0.324 294 HD2 PRO 43 1HD PRO 43 17.079 -5.739 0.096 295 HD3 PRO 43 2HD PRO 43 17.938 -7.007 0.995 296 H SER 44 H SER 44 17.380 -5.780 -2.634 297 HA SER 44 HA SER 44 16.751 -4.889 -4.642 298 HB2 SER 44 1HB SER 44 18.710 -3.407 -3.705 299 HB3 SER 44 2HB SER 44 19.595 -4.054 -5.087 300 HG SER 44 HG SER 44 17.084 -2.735 -5.230 301 H SER 45 H SER 45 17.299 -7.597 -4.860 302 HA SER 45 HA SER 45 19.096 -8.480 -6.727 303 HB2 SER 45 1HB SER 45 17.529 -10.305 -7.211 304 HB3 SER 45 2HB SER 45 17.569 -9.964 -5.482 305 HG SER 45 HG SER 45 15.635 -8.811 -5.720 306 H GLY 46 H GLY 46 19.553 -7.666 -8.661 307 HA2 GLY 46 1HA GLY 46 17.492 -6.321 -10.217 308 HA3 GLY 46 2HA GLY 46 19.211 -6.364 -10.579 Start of MODEL 15 1 H1 GLY 1 H GLY 1 7.090 -16.765 23.310 2 HA2 GLY 1 1HA GLY 1 7.112 -18.463 20.919 3 HA3 GLY 1 2HA GLY 1 5.716 -18.127 21.934 4 H SER 2 H SER 2 4.236 -16.920 20.980 5 HA SER 2 HA SER 2 3.228 -15.499 19.507 6 HB2 SER 2 1HB SER 2 4.272 -13.890 21.092 7 HB3 SER 2 2HB SER 2 5.683 -13.807 20.038 8 HG SER 2 HG SER 2 3.701 -12.250 19.865 9 H SER 3 H SER 3 4.655 -17.512 18.240 10 HA SER 3 HA SER 3 5.989 -16.181 15.989 11 HB2 SER 3 1HB SER 3 5.939 -19.097 16.801 12 HB3 SER 3 2HB SER 3 6.785 -18.459 15.392 13 HG SER 3 HG SER 3 7.341 -17.208 17.797 14 H GLY 4 H GLY 4 5.003 -15.986 14.086 15 HA2 GLY 4 1HA GLY 4 2.928 -17.895 13.318 16 HA3 GLY 4 2HA GLY 4 2.447 -16.211 13.458 17 H SER 5 H SER 5 3.494 -18.538 11.354 18 HA SER 5 HA SER 5 5.293 -17.303 9.656 19 HB2 SER 5 1HB SER 5 3.071 -19.270 9.129 20 HB3 SER 5 2HB SER 5 4.130 -18.705 7.837 21 HG SER 5 HG SER 5 5.796 -19.740 8.720 22 H SER 6 H SER 6 4.615 -16.701 7.282 23 HA SER 6 HA SER 6 2.386 -14.780 7.409 24 HB2 SER 6 1HB SER 6 5.082 -14.326 6.104 25 HB3 SER 6 2HB SER 6 3.724 -13.202 6.076 26 HG SER 6 HG SER 6 4.434 -14.037 8.593 27 H GLY 7 H GLY 7 2.100 -17.351 6.406 28 HA2 GLY 7 1HA GLY 7 2.499 -17.426 3.572 29 HA3 GLY 7 2HA GLY 7 1.544 -18.556 4.519 30 H THR 8 H THR 8 -0.540 -17.457 5.437 31 HA THR 8 HA THR 8 -2.305 -17.019 3.399 32 HB THR 8 HB THR 8 -3.053 -17.448 5.679 33 HG1 THR 8 HG1 THR 8 -4.507 -16.386 4.231 34 HG21 THR 8 3HG2 THR 8 -1.599 -14.945 6.205 35 HG22 THR 8 1HG2 THR 8 -1.913 -16.317 7.266 36 HG23 THR 8 2HG2 THR 8 -3.155 -15.090 7.020 37 H GLY 9 H GLY 9 -3.293 -15.204 2.454 38 HA2 GLY 9 1HA GLY 9 -3.032 -12.561 2.908 39 HA3 GLY 9 2HA GLY 9 -1.505 -12.950 2.129 40 H GLU 10 H GLU 10 -4.961 -13.697 1.639 41 HA GLU 10 HA GLU 10 -4.598 -13.692 -1.227 42 HB2 GLU 10 1HB GLU 10 -7.051 -14.049 0.500 43 HB3 GLU 10 2HB GLU 10 -7.064 -14.145 -1.255 44 HG2 GLU 10 1HG GLU 10 -6.868 -16.294 0.249 45 HG3 GLU 10 2HG GLU 10 -6.033 -16.166 -1.298 46 H LYS 11 H LYS 11 -4.653 -11.257 0.833 47 HA LYS 11 HA LYS 11 -6.679 -9.515 0.027 48 HB2 LYS 11 1HB LYS 11 -3.974 -9.168 1.244 49 HB3 LYS 11 2HB LYS 11 -4.809 -7.743 0.638 50 HG2 LYS 11 1HG LYS 11 -5.360 -7.860 2.908 51 HG3 LYS 11 2HG LYS 11 -6.780 -8.480 2.061 52 HD2 LYS 11 1HD LYS 11 -5.688 -10.797 2.414 53 HD3 LYS 11 2HD LYS 11 -4.714 -9.976 3.636 54 HE2 LYS 11 1HE LYS 11 -6.453 -10.655 4.944 55 HE3 LYS 11 2HE LYS 11 -7.089 -9.099 4.410 56 HZ1 LYS 11 3HZ LYS 11 -8.258 -10.299 2.615 57 HZ2 LYS 11 1HZ LYS 11 -8.773 -10.757 4.161 58 HZ3 LYS 11 2HZ LYS 11 -7.740 -11.766 3.280 59 HA PRO 12 HA PRO 12 -5.600 -8.388 -4.089 60 HB2 PRO 12 1HB PRO 12 -6.825 -5.969 -4.214 61 HB3 PRO 12 2HB PRO 12 -7.712 -7.497 -4.240 62 HG2 PRO 12 1HG PRO 12 -7.229 -5.626 -1.954 63 HG3 PRO 12 2HG PRO 12 -8.717 -6.476 -2.409 64 HD2 PRO 12 1HD PRO 12 -7.096 -7.340 -0.420 65 HD3 PRO 12 2HD PRO 12 -8.035 -8.451 -1.436 66 H PHE 13 H PHE 13 -4.903 -6.228 -1.412 67 HA PHE 13 HA PHE 13 -2.700 -5.067 -2.989 68 HB2 PHE 13 1HB PHE 13 -4.114 -3.706 -0.693 69 HB3 PHE 13 2HB PHE 13 -2.948 -2.996 -1.805 70 HD1 PHE 13 HD1 PHE 13 -3.588 -2.599 -4.169 71 HD2 PHE 13 HD2 PHE 13 -6.410 -3.832 -1.231 72 HE1 PHE 13 HE1 PHE 13 -5.426 -1.868 -5.632 73 HE2 PHE 13 HE2 PHE 13 -8.252 -3.104 -2.690 74 HZ PHE 13 HZ PHE 13 -7.762 -2.121 -4.894 75 H GLU 14 H GLU 14 -0.719 -5.442 -2.245 76 HA GLU 14 HA GLU 14 -0.328 -5.954 0.613 77 HB2 GLU 14 1HB GLU 14 -0.551 -8.127 -0.665 78 HB3 GLU 14 2HB GLU 14 0.925 -7.690 -1.515 79 HG2 GLU 14 1HG GLU 14 2.117 -7.618 0.632 80 HG3 GLU 14 2HG GLU 14 0.638 -8.119 1.450 81 H CYS 15 H CYS 15 1.495 -5.085 1.436 82 HA CYS 15 HA CYS 15 2.889 -3.110 0.062 83 HB2 CYS 15 1HB CYS 15 2.709 -3.715 2.636 84 HB3 CYS 15 2HB CYS 15 4.235 -4.532 2.316 85 H SER 16 H SER 16 5.458 -3.205 0.091 86 HA SER 16 HA SER 16 6.254 -5.661 -1.331 87 HB2 SER 16 1HB SER 16 5.999 -3.864 -2.947 88 HB3 SER 16 2HB SER 16 7.016 -2.802 -1.974 89 HG SER 16 HG SER 16 8.683 -4.480 -2.290 90 H GLU 17 H GLU 17 6.984 -3.304 1.063 91 HA GLU 17 HA GLU 17 9.751 -4.160 1.338 92 HB2 GLU 17 1HB GLU 17 8.073 -1.993 2.526 93 HB3 GLU 17 2HB GLU 17 9.505 -2.524 3.397 94 HG2 GLU 17 1HG GLU 17 10.055 -0.623 2.046 95 HG3 GLU 17 2HG GLU 17 10.864 -2.049 1.399 96 H CYS 18 H CYS 18 6.977 -3.866 3.566 97 HA CYS 18 HA CYS 18 8.140 -5.939 5.256 98 HB2 CYS 18 1HB CYS 18 6.461 -5.307 6.890 99 HB3 CYS 18 2HB CYS 18 7.261 -3.860 6.284 100 H GLN 19 H GLN 19 5.942 -5.689 2.723 101 HA GLN 19 HA GLN 19 4.531 -7.174 1.735 102 HB2 GLN 19 1HB GLN 19 5.702 -9.131 3.719 103 HB3 GLN 19 2HB GLN 19 4.742 -9.557 2.308 104 HG2 GLN 19 1HG GLN 19 7.379 -8.114 2.192 105 HG3 GLN 19 2HG GLN 19 7.184 -9.856 2.009 106 HE21 GLN 19 1HE2 GLN 19 5.198 -10.267 0.396 107 HE22 GLN 19 2HE2 GLN 19 5.390 -9.470 -1.125 108 H LYS 20 H LYS 20 3.524 -5.524 3.766 109 HA LYS 20 HA LYS 20 1.834 -7.084 5.502 110 HB2 LYS 20 1HB LYS 20 2.667 -4.939 6.277 111 HB3 LYS 20 2HB LYS 20 1.916 -4.120 4.913 112 HG2 LYS 20 1HG LYS 20 0.358 -3.684 6.499 113 HG3 LYS 20 2HG LYS 20 -0.265 -5.232 5.923 114 HD2 LYS 20 1HD LYS 20 1.740 -5.279 8.113 115 HD3 LYS 20 2HD LYS 20 0.111 -4.727 8.506 116 HE2 LYS 20 1HE LYS 20 -0.804 -6.802 7.568 117 HE3 LYS 20 2HE LYS 20 0.831 -7.352 7.204 118 HZ1 LYS 20 3HZ LYS 20 -0.546 -7.192 9.771 119 HZ2 LYS 20 1HZ LYS 20 1.112 -6.855 9.770 120 HZ3 LYS 20 2HZ LYS 20 0.551 -8.346 9.202 121 H ALA 21 H ALA 21 -0.407 -7.282 5.394 122 HA ALA 21 HA ALA 21 -1.490 -7.147 2.696 123 HB1 ALA 21 3HB ALA 21 -3.494 -8.204 4.170 124 HB2 ALA 21 1HB ALA 21 -2.188 -9.147 3.451 125 HB3 ALA 21 2HB ALA 21 -2.096 -8.659 5.144 126 H PHE 22 H PHE 22 -3.276 -5.967 2.088 127 HA PHE 22 HA PHE 22 -4.466 -4.163 4.069 128 HB2 PHE 22 1HB PHE 22 -3.201 -3.357 1.453 129 HB3 PHE 22 2HB PHE 22 -4.376 -2.341 2.282 130 HD1 PHE 22 HD1 PHE 22 -3.825 -1.262 4.385 131 HD2 PHE 22 HD2 PHE 22 -0.975 -3.652 2.316 132 HE1 PHE 22 HE1 PHE 22 -2.027 -0.309 5.768 133 HE2 PHE 22 HE2 PHE 22 0.827 -2.703 3.696 134 HZ PHE 22 HZ PHE 22 0.303 -1.030 5.425 135 H ASN 23 H ASN 23 -6.327 -2.881 2.885 136 HA ASN 23 HA ASN 23 -7.902 -4.894 1.427 137 HB2 ASN 23 1HB ASN 23 -8.764 -4.168 3.664 138 HB3 ASN 23 2HB ASN 23 -8.934 -2.538 3.019 139 HD21 ASN 23 1HD2 ASN 23 -9.867 -5.884 2.321 140 HD22 ASN 23 2HD2 ASN 23 -11.445 -5.501 1.730 141 H THR 24 H THR 24 -7.210 -1.419 1.603 142 HA THR 24 HA THR 24 -8.101 -1.184 -1.198 143 HB THR 24 HB THR 24 -8.506 1.221 -0.734 144 HG1 THR 24 HG1 THR 24 -8.677 1.689 1.624 145 HG21 THR 24 3HG2 THR 24 -10.475 -0.006 -0.668 146 HG22 THR 24 1HG2 THR 24 -10.472 0.779 0.910 147 HG23 THR 24 2HG2 THR 24 -9.984 -0.910 0.764 148 H LYS 25 H LYS 25 -6.954 0.412 -2.504 149 HA LYS 25 HA LYS 25 -4.142 0.115 -2.297 150 HB2 LYS 25 1HB LYS 25 -5.241 0.332 -4.461 151 HB3 LYS 25 2HB LYS 25 -5.801 1.946 -4.041 152 HG2 LYS 25 1HG LYS 25 -3.994 2.513 -5.280 153 HG3 LYS 25 2HG LYS 25 -3.200 2.348 -3.712 154 HD2 LYS 25 1HD LYS 25 -3.435 -0.060 -5.449 155 HD3 LYS 25 2HD LYS 25 -2.240 1.169 -5.869 156 HE2 LYS 25 1HE LYS 25 -1.391 1.010 -3.515 157 HE3 LYS 25 2HE LYS 25 -2.464 -0.370 -3.288 158 HZ1 LYS 25 3HZ LYS 25 -0.573 -0.362 -5.539 159 HZ2 LYS 25 1HZ LYS 25 -1.236 -1.674 -4.701 160 HZ3 LYS 25 2HZ LYS 25 -0.015 -0.745 -3.989 161 H SER 26 H SER 26 -6.139 3.073 -2.181 162 HA SER 26 HA SER 26 -4.321 4.954 -1.541 163 HB2 SER 26 1HB SER 26 -7.096 4.563 -0.425 164 HB3 SER 26 2HB SER 26 -6.130 5.991 -0.053 165 HG SER 26 HG SER 26 -7.347 6.487 -1.830 166 H ASN 27 H ASN 27 -5.697 2.606 0.719 167 HA ASN 27 HA ASN 27 -4.496 3.593 3.057 168 HB2 ASN 27 1HB ASN 27 -5.669 0.977 2.224 169 HB3 ASN 27 2HB ASN 27 -4.711 1.027 3.702 170 HD21 ASN 27 1HD2 ASN 27 -7.256 2.909 2.093 171 HD22 ASN 27 2HD2 ASN 27 -8.192 3.178 3.520 172 H LEU 28 H LEU 28 -3.448 0.983 0.872 173 HA LEU 28 HA LEU 28 -1.044 0.402 2.201 174 HB2 LEU 28 1HB LEU 28 -1.932 -1.153 0.628 175 HB3 LEU 28 2HB LEU 28 -1.887 0.043 -0.666 176 HG LEU 28 HG LEU 28 0.566 -0.027 -0.635 177 HD11 LEU 28 1HD1 LEU 28 0.308 -2.317 1.300 178 HD12 LEU 28 2HD1 LEU 28 0.723 -0.673 1.786 179 HD13 LEU 28 3HD1 LEU 28 1.786 -1.566 0.698 180 HD21 LEU 28 3HD2 LEU 28 0.277 -1.558 -2.214 181 HD22 LEU 28 1HD2 LEU 28 -1.204 -2.126 -1.443 182 HD23 LEU 28 2HD2 LEU 28 0.352 -2.812 -0.976 183 H ILE 29 H ILE 29 -1.744 2.589 -0.502 184 HA ILE 29 HA ILE 29 0.802 3.393 -1.173 185 HB ILE 29 HB ILE 29 -1.720 5.047 -1.078 186 HG12 ILE 29 1HG1 ILE 29 -0.322 3.798 -3.446 187 HG13 ILE 29 2HG1 ILE 29 -1.626 3.006 -2.569 188 HG21 ILE 29 1HG2 ILE 29 1.039 5.712 -1.965 189 HG22 ILE 29 2HG2 ILE 29 -0.319 6.338 -2.899 190 HG23 ILE 29 3HG2 ILE 29 -0.174 6.728 -1.186 191 HD11 ILE 29 3HD1 ILE 29 -3.217 4.394 -3.407 192 HD12 ILE 29 1HD1 ILE 29 -2.103 5.749 -3.587 193 HD13 ILE 29 2HD1 ILE 29 -2.068 4.418 -4.745 194 H VAL 30 H VAL 30 -1.309 4.820 1.315 195 HA VAL 30 HA VAL 30 0.515 6.769 2.200 196 HB VAL 30 HB VAL 30 -1.735 5.422 3.701 197 HG11 VAL 30 1HG1 VAL 30 -0.107 6.416 5.236 198 HG12 VAL 30 2HG1 VAL 30 -0.234 7.951 4.376 199 HG13 VAL 30 3HG1 VAL 30 -1.629 7.307 5.243 200 HG21 VAL 30 3HG2 VAL 30 -2.613 6.559 1.814 201 HG22 VAL 30 1HG2 VAL 30 -2.881 7.615 3.201 202 HG23 VAL 30 2HG2 VAL 30 -1.564 7.952 2.077 203 H HIS 31 H HIS 31 0.323 3.373 2.773 204 HA HIS 31 HA HIS 31 2.082 3.501 5.094 205 HB2 HIS 31 1HB HIS 31 0.357 1.886 5.325 206 HB3 HIS 31 2HB HIS 31 0.643 1.240 3.712 207 HD1 HIS 31 HD1 HIS 31 1.814 1.012 7.227 208 HD2 HIS 31 HD2 HIS 31 2.871 -0.497 3.503 209 HE1 HIS 31 HE1 HIS 31 3.423 -0.863 7.694 210 H GLN 32 H GLN 32 2.261 3.119 1.707 211 HA GLN 32 HA GLN 32 4.802 1.717 1.752 212 HB2 GLN 32 1HB GLN 32 2.879 2.582 -0.347 213 HB3 GLN 32 2HB GLN 32 4.563 2.388 -0.818 214 HG2 GLN 32 1HG GLN 32 4.281 0.081 0.427 215 HG3 GLN 32 2HG GLN 32 2.582 0.354 0.042 216 HE21 GLN 32 1HE2 GLN 32 3.801 -1.796 -1.015 217 HE22 GLN 32 2HE2 GLN 32 4.064 -1.579 -2.708 218 H ARG 33 H ARG 33 3.575 4.964 1.350 219 HA ARG 33 HA ARG 33 5.831 6.181 0.229 220 HB2 ARG 33 1HB ARG 33 4.929 8.281 1.141 221 HB3 ARG 33 2HB ARG 33 3.681 7.316 0.364 222 HG2 ARG 33 1HG ARG 33 2.901 6.550 2.541 223 HG3 ARG 33 2HG ARG 33 4.168 7.492 3.331 224 HD2 ARG 33 1HD ARG 33 2.102 8.720 1.521 225 HD3 ARG 33 2HD ARG 33 1.865 8.541 3.259 226 HE ARG 33 HE ARG 33 3.415 10.218 3.627 227 HH11 ARG 33 1HH1 ARG 33 3.341 9.345 0.258 228 HH12 ARG 33 2HH1 ARG 33 4.270 10.716 -0.252 229 HH21 ARG 33 1HH2 ARG 33 4.639 12.026 2.969 230 HH22 ARG 33 2HH2 ARG 33 5.009 12.240 1.291 231 H THR 34 H THR 34 5.068 5.315 3.539 232 HA THR 34 HA THR 34 7.261 6.757 4.693 233 HB THR 34 HB THR 34 5.271 6.267 6.029 234 HG1 THR 34 HG1 THR 34 7.344 4.737 7.189 235 HG21 THR 34 3HG2 THR 34 6.124 3.377 5.827 236 HG22 THR 34 1HG2 THR 34 4.718 4.085 5.033 237 HG23 THR 34 2HG2 THR 34 4.789 4.003 6.794 238 H HIS 35 H HIS 35 6.921 3.762 3.093 239 HA HIS 35 HA HIS 35 9.134 2.439 4.369 240 HB2 HIS 35 1HB HIS 35 7.273 1.831 2.127 241 HB3 HIS 35 2HB HIS 35 8.825 0.999 2.140 242 HD1 HIS 35 HD1 HIS 35 9.210 0.270 5.010 243 HD2 HIS 35 HD2 HIS 35 5.503 0.067 3.145 244 HE1 HIS 35 HE1 HIS 35 7.863 -1.360 6.369 245 H THR 36 H THR 36 10.200 4.758 3.789 246 HA THR 36 HA THR 36 11.669 4.431 1.259 247 HB THR 36 HB THR 36 12.357 6.906 1.899 248 HG1 THR 36 HG1 THR 36 9.739 6.974 2.908 249 HG21 THR 36 3HG2 THR 36 11.283 6.567 -0.148 250 HG22 THR 36 1HG2 THR 36 10.196 7.660 0.709 251 HG23 THR 36 2HG2 THR 36 9.823 5.938 0.615 252 H GLY 37 H GLY 37 12.391 2.867 3.488 253 HA2 GLY 37 1HA GLY 37 14.222 2.276 4.742 254 HA3 GLY 37 2HA GLY 37 15.144 3.215 3.578 255 H GLU 38 H GLU 38 12.681 4.432 5.795 256 HA GLU 38 HA GLU 38 14.664 6.284 6.880 257 HB2 GLU 38 1HB GLU 38 12.521 7.184 6.040 258 HB3 GLU 38 2HB GLU 38 11.662 6.228 7.240 259 HG2 GLU 38 1HG GLU 38 13.105 7.482 8.960 260 HG3 GLU 38 2HG GLU 38 13.422 8.611 7.643 261 H LYS 39 H LYS 39 15.766 4.734 8.186 262 HA LYS 39 HA LYS 39 14.357 3.359 10.287 263 HB2 LYS 39 1HB LYS 39 17.315 3.712 9.773 264 HB3 LYS 39 2HB LYS 39 16.631 2.673 11.016 265 HG2 LYS 39 1HG LYS 39 15.345 1.626 8.981 266 HG3 LYS 39 2HG LYS 39 16.684 2.321 8.064 267 HD2 LYS 39 1HD LYS 39 17.504 0.222 8.550 268 HD3 LYS 39 2HD LYS 39 18.152 1.167 9.893 269 HE2 LYS 39 1HE LYS 39 16.009 0.476 11.135 270 HE3 LYS 39 2HE LYS 39 15.841 -0.745 9.876 271 HZ1 LYS 39 3HZ LYS 39 17.772 -0.573 12.048 272 HZ2 LYS 39 1HZ LYS 39 18.355 -1.155 10.570 273 HZ3 LYS 39 2HZ LYS 39 17.063 -1.933 11.334 274 HA PRO 40 HA PRO 40 14.434 6.726 13.162 275 HB2 PRO 40 1HB PRO 40 13.715 5.305 15.360 276 HB3 PRO 40 2HB PRO 40 12.569 5.759 14.093 277 HG2 PRO 40 1HG PRO 40 13.977 3.153 14.528 278 HG3 PRO 40 2HG PRO 40 12.285 3.451 14.088 279 HD2 PRO 40 1HD PRO 40 14.159 2.735 12.269 280 HD3 PRO 40 2HD PRO 40 12.792 3.794 11.866 281 H SER 41 H SER 41 16.047 7.620 14.288 282 HA SER 41 HA SER 41 18.063 7.882 15.315 283 HB2 SER 41 1HB SER 41 16.766 6.909 17.189 284 HB3 SER 41 2HB SER 41 17.285 5.299 16.691 285 HG SER 41 HG SER 41 19.079 7.387 17.371 286 H GLY 42 H GLY 42 18.235 6.710 12.799 287 HA2 GLY 42 1HA GLY 42 20.323 4.655 13.136 288 HA3 GLY 42 2HA GLY 42 19.365 4.884 11.681 289 HA PRO 43 HA PRO 43 22.657 8.453 11.898 290 HB2 PRO 43 1HB PRO 43 24.763 7.971 13.542 291 HB3 PRO 43 2HB PRO 43 23.310 8.829 14.069 292 HG2 PRO 43 1HG PRO 43 24.070 5.962 14.475 293 HG3 PRO 43 2HG PRO 43 23.348 7.102 15.626 294 HD2 PRO 43 1HD PRO 43 21.889 5.234 14.316 295 HD3 PRO 43 2HD PRO 43 21.227 6.818 14.770 296 H SER 44 H SER 44 23.552 8.121 9.960 297 HA SER 44 HA SER 44 24.820 5.691 9.203 298 HB2 SER 44 1HB SER 44 23.645 7.582 7.764 299 HB3 SER 44 2HB SER 44 25.289 8.211 7.668 300 HG SER 44 HG SER 44 25.818 5.939 7.024 301 H SER 45 H SER 45 27.040 5.507 8.413 302 HA SER 45 HA SER 45 28.990 5.824 10.205 303 HB2 SER 45 1HB SER 45 29.404 4.678 8.110 304 HB3 SER 45 2HB SER 45 29.297 6.195 7.216 305 HG SER 45 HG SER 45 31.372 5.166 8.729 306 H GLY 46 H GLY 46 28.293 8.287 7.720 307 HA2 GLY 46 1HA GLY 46 29.783 10.229 9.369 308 HA3 GLY 46 2HA GLY 46 29.549 10.362 7.632 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -0.438 -20.468 25.922 2 HA2 GLY 1 1HA GLY 1 1.750 -20.091 25.335 3 HA3 GLY 1 2HA GLY 1 1.585 -21.414 24.190 4 H SER 2 H SER 2 3.082 -19.938 22.981 5 HA SER 2 HA SER 2 2.037 -17.518 21.880 6 HB2 SER 2 1HB SER 2 4.041 -17.568 20.441 7 HB3 SER 2 2HB SER 2 4.452 -17.858 22.131 8 HG SER 2 HG SER 2 5.140 -19.342 20.148 9 H SER 3 H SER 3 0.063 -18.038 20.924 10 HA SER 3 HA SER 3 -0.307 -20.120 19.055 11 HB2 SER 3 1HB SER 3 -2.203 -19.104 20.197 12 HB3 SER 3 2HB SER 3 -1.859 -17.549 19.441 13 HG SER 3 HG SER 3 -2.050 -19.127 17.437 14 H GLY 4 H GLY 4 -0.144 -20.201 16.862 15 HA2 GLY 4 1HA GLY 4 1.622 -18.353 15.596 16 HA3 GLY 4 2HA GLY 4 0.789 -19.691 14.819 17 H SER 5 H SER 5 0.432 -18.335 12.992 18 HA SER 5 HA SER 5 -2.005 -16.775 13.245 19 HB2 SER 5 1HB SER 5 -1.137 -14.784 12.217 20 HB3 SER 5 2HB SER 5 -0.094 -15.169 13.586 21 HG SER 5 HG SER 5 1.073 -14.638 11.662 22 H SER 6 H SER 6 -2.625 -15.929 10.952 23 HA SER 6 HA SER 6 -1.769 -17.780 8.856 24 HB2 SER 6 1HB SER 6 -4.064 -18.362 8.267 25 HB3 SER 6 2HB SER 6 -3.745 -18.811 9.943 26 HG SER 6 HG SER 6 -5.489 -16.949 8.915 27 H GLY 7 H GLY 7 -1.460 -16.752 6.989 28 HA2 GLY 7 1HA GLY 7 -3.142 -14.807 5.883 29 HA3 GLY 7 2HA GLY 7 -1.846 -13.973 6.729 30 H THR 8 H THR 8 -2.766 -15.628 3.897 31 HA THR 8 HA THR 8 0.001 -15.461 2.891 32 HB THR 8 HB THR 8 -0.597 -17.293 1.301 33 HG1 THR 8 HG1 THR 8 -2.947 -16.948 1.646 34 HG21 THR 8 3HG2 THR 8 0.686 -17.863 3.247 35 HG22 THR 8 1HG2 THR 8 -0.531 -19.116 3.012 36 HG23 THR 8 2HG2 THR 8 -0.761 -17.887 4.255 37 H GLY 9 H GLY 9 -0.370 -13.330 2.134 38 HA2 GLY 9 1HA GLY 9 -1.297 -11.692 0.760 39 HA3 GLY 9 2HA GLY 9 -0.837 -12.878 -0.452 40 H GLU 10 H GLU 10 -3.434 -12.977 1.968 41 HA GLU 10 HA GLU 10 -5.310 -13.801 -0.070 42 HB2 GLU 10 1HB GLU 10 -5.210 -14.715 2.307 43 HB3 GLU 10 2HB GLU 10 -5.933 -13.196 2.817 44 HG2 GLU 10 1HG GLU 10 -7.820 -14.417 2.597 45 HG3 GLU 10 2HG GLU 10 -7.689 -13.836 0.938 46 H LYS 11 H LYS 11 -4.105 -10.935 0.426 47 HA LYS 11 HA LYS 11 -6.678 -9.512 0.223 48 HB2 LYS 11 1HB LYS 11 -4.071 -8.777 1.479 49 HB3 LYS 11 2HB LYS 11 -5.055 -7.495 0.785 50 HG2 LYS 11 1HG LYS 11 -5.571 -7.642 3.100 51 HG3 LYS 11 2HG LYS 11 -6.950 -8.280 2.202 52 HD2 LYS 11 1HD LYS 11 -5.978 -10.578 2.571 53 HD3 LYS 11 2HD LYS 11 -4.833 -9.827 3.685 54 HE2 LYS 11 1HE LYS 11 -7.806 -9.487 3.965 55 HE3 LYS 11 2HE LYS 11 -6.946 -10.845 4.688 56 HZ1 LYS 11 3HZ LYS 11 -6.186 -8.027 5.191 57 HZ2 LYS 11 1HZ LYS 11 -5.703 -9.404 6.047 58 HZ3 LYS 11 2HZ LYS 11 -7.300 -8.856 6.157 59 HA PRO 12 HA PRO 12 -5.671 -8.352 -3.894 60 HB2 PRO 12 1HB PRO 12 -7.007 -5.995 -4.070 61 HB3 PRO 12 2HB PRO 12 -7.823 -7.563 -4.054 62 HG2 PRO 12 1HG PRO 12 -7.415 -5.617 -1.816 63 HG3 PRO 12 2HG PRO 12 -8.865 -6.545 -2.241 64 HD2 PRO 12 1HD PRO 12 -7.195 -7.286 -0.242 65 HD3 PRO 12 2HD PRO 12 -8.088 -8.463 -1.226 66 H PHE 13 H PHE 13 -4.704 -6.499 -1.191 67 HA PHE 13 HA PHE 13 -2.698 -5.132 -2.843 68 HB2 PHE 13 1HB PHE 13 -4.141 -3.815 -0.536 69 HB3 PHE 13 2HB PHE 13 -2.957 -3.074 -1.607 70 HD1 PHE 13 HD1 PHE 13 -3.546 -2.595 -3.955 71 HD2 PHE 13 HD2 PHE 13 -6.422 -4.011 -1.155 72 HE1 PHE 13 HE1 PHE 13 -5.358 -1.862 -5.450 73 HE2 PHE 13 HE2 PHE 13 -8.238 -3.281 -2.645 74 HZ PHE 13 HZ PHE 13 -7.707 -2.205 -4.797 75 H GLU 14 H GLU 14 -0.700 -5.499 -2.150 76 HA GLU 14 HA GLU 14 -0.230 -5.970 0.704 77 HB2 GLU 14 1HB GLU 14 -0.460 -8.165 -0.505 78 HB3 GLU 14 2HB GLU 14 0.954 -7.723 -1.452 79 HG2 GLU 14 1HG GLU 14 2.103 -7.428 0.843 80 HG3 GLU 14 2HG GLU 14 0.763 -8.398 1.451 81 H CYS 15 H CYS 15 1.648 -5.139 1.470 82 HA CYS 15 HA CYS 15 2.979 -3.150 0.020 83 HB2 CYS 15 1HB CYS 15 2.841 -3.689 2.614 84 HB3 CYS 15 2HB CYS 15 4.372 -4.497 2.291 85 H SER 16 H SER 16 5.501 -3.177 -0.102 86 HA SER 16 HA SER 16 6.302 -5.675 -1.447 87 HB2 SER 16 1HB SER 16 5.950 -3.597 -2.903 88 HB3 SER 16 2HB SER 16 7.392 -2.944 -2.125 89 HG SER 16 HG SER 16 7.208 -5.343 -3.631 90 H GLU 17 H GLU 17 7.137 -3.191 0.822 91 HA GLU 17 HA GLU 17 9.884 -4.062 1.092 92 HB2 GLU 17 1HB GLU 17 8.195 -1.970 2.430 93 HB3 GLU 17 2HB GLU 17 9.754 -2.426 3.104 94 HG2 GLU 17 1HG GLU 17 9.608 -1.704 0.225 95 HG3 GLU 17 2HG GLU 17 9.517 -0.420 1.429 96 H CYS 18 H CYS 18 7.054 -3.931 3.261 97 HA CYS 18 HA CYS 18 8.304 -5.985 4.937 98 HB2 CYS 18 1HB CYS 18 6.714 -5.356 6.648 99 HB3 CYS 18 2HB CYS 18 7.479 -3.901 6.018 100 H GLN 19 H GLN 19 5.927 -5.596 2.549 101 HA GLN 19 HA GLN 19 4.431 -7.022 1.599 102 HB2 GLN 19 1HB GLN 19 6.226 -8.857 3.103 103 HB3 GLN 19 2HB GLN 19 4.705 -9.514 2.513 104 HG2 GLN 19 1HG GLN 19 5.269 -9.093 0.272 105 HG3 GLN 19 2HG GLN 19 6.607 -8.039 0.725 106 HE21 GLN 19 1HE2 GLN 19 8.461 -8.948 0.235 107 HE22 GLN 19 2HE2 GLN 19 8.872 -10.613 0.445 108 H LYS 20 H LYS 20 3.280 -5.532 3.417 109 HA LYS 20 HA LYS 20 1.933 -7.156 5.414 110 HB2 LYS 20 1HB LYS 20 2.718 -4.778 5.814 111 HB3 LYS 20 2HB LYS 20 1.418 -4.257 4.751 112 HG2 LYS 20 1HG LYS 20 -0.229 -4.848 6.250 113 HG3 LYS 20 2HG LYS 20 0.805 -6.007 7.089 114 HD2 LYS 20 1HD LYS 20 1.440 -3.078 7.126 115 HD3 LYS 20 2HD LYS 20 0.253 -3.758 8.242 116 HE2 LYS 20 1HE LYS 20 2.099 -5.476 8.795 117 HE3 LYS 20 2HE LYS 20 3.191 -4.321 8.031 118 HZ1 LYS 20 3HZ LYS 20 2.134 -2.640 9.616 119 HZ2 LYS 20 1HZ LYS 20 3.235 -3.749 10.265 120 HZ3 LYS 20 2HZ LYS 20 1.573 -3.984 10.477 121 H ALA 21 H ALA 21 -0.515 -6.752 5.625 122 HA ALA 21 HA ALA 21 -1.718 -7.187 2.974 123 HB1 ALA 21 3HB ALA 21 -2.534 -8.160 5.703 124 HB2 ALA 21 1HB ALA 21 -3.560 -8.302 4.275 125 HB3 ALA 21 2HB ALA 21 -1.997 -9.118 4.323 126 H PHE 22 H PHE 22 -3.319 -5.900 2.260 127 HA PHE 22 HA PHE 22 -4.578 -4.032 4.139 128 HB2 PHE 22 1HB PHE 22 -3.132 -3.335 1.594 129 HB3 PHE 22 2HB PHE 22 -4.396 -2.293 2.240 130 HD1 PHE 22 HD1 PHE 22 -4.084 -1.142 4.376 131 HD2 PHE 22 HD2 PHE 22 -0.986 -3.480 2.631 132 HE1 PHE 22 HE1 PHE 22 -2.444 -0.077 5.870 133 HE2 PHE 22 HE2 PHE 22 0.659 -2.420 4.122 134 HZ PHE 22 HZ PHE 22 -0.069 -0.717 5.745 135 H ASN 23 H ASN 23 -6.475 -2.892 3.073 136 HA ASN 23 HA ASN 23 -7.968 -4.881 1.514 137 HB2 ASN 23 1HB ASN 23 -9.936 -3.324 2.243 138 HB3 ASN 23 2HB ASN 23 -9.228 -4.432 3.415 139 HD21 ASN 23 1HD2 ASN 23 -10.390 -1.456 3.127 140 HD22 ASN 23 2HD2 ASN 23 -9.437 -0.620 4.301 141 H THR 24 H THR 24 -7.277 -1.405 1.659 142 HA THR 24 HA THR 24 -8.144 -1.192 -1.151 143 HB THR 24 HB THR 24 -8.465 1.226 -0.734 144 HG1 THR 24 HG1 THR 24 -7.478 0.474 1.778 145 HG21 THR 24 3HG2 THR 24 -10.584 0.954 0.054 146 HG22 THR 24 1HG2 THR 24 -10.069 -0.041 1.415 147 HG23 THR 24 2HG2 THR 24 -10.189 -0.746 -0.197 148 H LYS 25 H LYS 25 -6.949 0.349 -2.487 149 HA LYS 25 HA LYS 25 -4.126 -0.022 -2.210 150 HB2 LYS 25 1HB LYS 25 -5.052 -0.049 -4.420 151 HB3 LYS 25 2HB LYS 25 -5.800 1.526 -4.188 152 HG2 LYS 25 1HG LYS 25 -3.839 2.661 -4.498 153 HG3 LYS 25 2HG LYS 25 -2.843 1.308 -3.958 154 HD2 LYS 25 1HD LYS 25 -4.444 1.077 -6.475 155 HD3 LYS 25 2HD LYS 25 -2.906 1.944 -6.484 156 HE2 LYS 25 1HE LYS 25 -1.780 -0.037 -5.607 157 HE3 LYS 25 2HE LYS 25 -3.316 -0.902 -5.567 158 HZ1 LYS 25 3HZ LYS 25 -2.747 -1.582 -7.598 159 HZ2 LYS 25 1HZ LYS 25 -1.558 -0.393 -7.783 160 HZ3 LYS 25 2HZ LYS 25 -3.174 -0.031 -8.122 161 H SER 26 H SER 26 -6.198 2.880 -2.286 162 HA SER 26 HA SER 26 -4.388 4.858 -1.878 163 HB2 SER 26 1HB SER 26 -6.175 6.046 -0.559 164 HB3 SER 26 2HB SER 26 -6.722 5.393 -2.103 165 HG SER 26 HG SER 26 -8.235 4.766 -0.656 166 H ASN 27 H ASN 27 -5.766 2.772 0.640 167 HA ASN 27 HA ASN 27 -4.465 3.977 2.824 168 HB2 ASN 27 1HB ASN 27 -5.760 1.324 2.341 169 HB3 ASN 27 2HB ASN 27 -4.798 1.546 3.799 170 HD21 ASN 27 1HD2 ASN 27 -5.533 2.876 5.412 171 HD22 ASN 27 2HD2 ASN 27 -7.133 3.527 5.439 172 H LEU 28 H LEU 28 -3.559 1.218 0.786 173 HA LEU 28 HA LEU 28 -1.223 0.494 2.144 174 HB2 LEU 28 1HB LEU 28 -2.121 -1.001 0.544 175 HB3 LEU 28 2HB LEU 28 -2.055 0.215 -0.731 176 HG LEU 28 HG LEU 28 0.445 0.093 -0.597 177 HD11 LEU 28 1HD1 LEU 28 0.155 -2.513 0.814 178 HD12 LEU 28 2HD1 LEU 28 0.216 -1.028 1.763 179 HD13 LEU 28 3HD1 LEU 28 1.552 -1.444 0.689 180 HD21 LEU 28 3HD2 LEU 28 0.007 -1.128 -2.407 181 HD22 LEU 28 1HD2 LEU 28 -1.415 -1.860 -1.662 182 HD23 LEU 28 2HD2 LEU 28 0.183 -2.549 -1.376 183 H ILE 29 H ILE 29 -1.582 2.544 -0.752 184 HA ILE 29 HA ILE 29 0.975 3.261 -1.264 185 HB ILE 29 HB ILE 29 -1.372 5.161 -1.207 186 HG12 ILE 29 1HG1 ILE 29 -0.288 3.857 -3.673 187 HG13 ILE 29 2HG1 ILE 29 -1.358 2.937 -2.620 188 HG21 ILE 29 1HG2 ILE 29 0.834 5.550 -3.122 189 HG22 ILE 29 2HG2 ILE 29 -0.128 6.734 -2.240 190 HG23 ILE 29 3HG2 ILE 29 1.203 5.905 -1.435 191 HD11 ILE 29 3HD1 ILE 29 -2.183 4.495 -4.661 192 HD12 ILE 29 1HD1 ILE 29 -3.171 4.084 -3.259 193 HD13 ILE 29 2HD1 ILE 29 -2.310 5.622 -3.311 194 H VAL 30 H VAL 30 -1.108 4.855 1.146 195 HA VAL 30 HA VAL 30 0.793 6.685 2.086 196 HB VAL 30 HB VAL 30 -1.491 5.431 3.617 197 HG11 VAL 30 1HG1 VAL 30 -0.233 8.105 4.148 198 HG12 VAL 30 2HG1 VAL 30 -1.307 7.163 5.185 199 HG13 VAL 30 3HG1 VAL 30 0.354 6.631 4.918 200 HG21 VAL 30 3HG2 VAL 30 -1.347 7.520 1.548 201 HG22 VAL 30 1HG2 VAL 30 -2.688 6.475 2.019 202 HG23 VAL 30 2HG2 VAL 30 -2.321 7.919 2.963 203 H HIS 31 H HIS 31 0.268 3.314 2.825 204 HA HIS 31 HA HIS 31 1.988 3.321 5.139 205 HB2 HIS 31 1HB HIS 31 0.267 1.706 5.217 206 HB3 HIS 31 2HB HIS 31 0.593 1.156 3.576 207 HD1 HIS 31 HD1 HIS 31 1.947 0.917 7.080 208 HD2 HIS 31 HD2 HIS 31 2.498 -0.833 3.353 209 HE1 HIS 31 HE1 HIS 31 3.433 -1.071 7.484 210 H GLN 32 H GLN 32 2.352 2.957 1.738 211 HA GLN 32 HA GLN 32 4.905 1.597 1.926 212 HB2 GLN 32 1HB GLN 32 3.300 2.666 -0.392 213 HB3 GLN 32 2HB GLN 32 4.911 1.989 -0.589 214 HG2 GLN 32 1HG GLN 32 3.875 -0.045 0.695 215 HG3 GLN 32 2HG GLN 32 2.357 0.637 0.114 216 HE21 GLN 32 1HE2 GLN 32 2.066 -1.257 -1.137 217 HE22 GLN 32 2HE2 GLN 32 2.908 -1.471 -2.630 218 H ARG 33 H ARG 33 3.669 4.832 1.351 219 HA ARG 33 HA ARG 33 6.089 6.007 0.491 220 HB2 ARG 33 1HB ARG 33 5.014 8.097 0.775 221 HB3 ARG 33 2HB ARG 33 3.751 6.974 0.290 222 HG2 ARG 33 1HG ARG 33 2.842 6.890 2.450 223 HG3 ARG 33 2HG ARG 33 4.279 7.616 3.171 224 HD2 ARG 33 1HD ARG 33 2.769 9.157 1.119 225 HD3 ARG 33 2HD ARG 33 2.096 9.028 2.743 226 HE ARG 33 HE ARG 33 4.199 10.711 1.953 227 HH11 ARG 33 1HH1 ARG 33 3.323 8.546 4.535 228 HH12 ARG 33 2HH1 ARG 33 4.258 9.383 5.730 229 HH21 ARG 33 1HH2 ARG 33 5.434 11.822 3.517 230 HH22 ARG 33 2HH2 ARG 33 5.458 11.247 5.149 231 H THR 34 H THR 34 4.773 5.297 3.647 232 HA THR 34 HA THR 34 6.639 6.920 5.097 233 HB THR 34 HB THR 34 4.480 6.384 6.092 234 HG1 THR 34 HG1 THR 34 6.563 5.084 7.540 235 HG21 THR 34 3HG2 THR 34 4.237 4.133 5.077 236 HG22 THR 34 1HG2 THR 34 3.905 4.148 6.808 237 HG23 THR 34 2HG2 THR 34 5.443 3.524 6.210 238 H HIS 35 H HIS 35 6.843 3.934 3.531 239 HA HIS 35 HA HIS 35 8.771 2.715 5.282 240 HB2 HIS 35 1HB HIS 35 7.514 2.042 2.672 241 HB3 HIS 35 2HB HIS 35 9.074 1.307 3.025 242 HD1 HIS 35 HD1 HIS 35 8.834 0.571 5.924 243 HD2 HIS 35 HD2 HIS 35 5.703 0.117 3.231 244 HE1 HIS 35 HE1 HIS 35 7.332 -1.179 6.928 245 H THR 36 H THR 36 9.635 5.251 4.752 246 HA THR 36 HA THR 36 11.681 5.049 2.673 247 HB THR 36 HB THR 36 12.115 7.444 3.163 248 HG1 THR 36 HG1 THR 36 10.395 8.443 4.515 249 HG21 THR 36 3HG2 THR 36 9.520 8.063 2.649 250 HG22 THR 36 1HG2 THR 36 9.553 6.355 2.213 251 HG23 THR 36 2HG2 THR 36 10.663 7.485 1.437 252 H GLY 37 H GLY 37 13.812 4.840 3.077 253 HA2 GLY 37 1HA GLY 37 15.599 5.540 4.747 254 HA3 GLY 37 2HA GLY 37 14.611 4.673 5.914 255 H GLU 38 H GLU 38 16.527 4.297 2.969 256 HA GLU 38 HA GLU 38 16.516 1.436 3.078 257 HB2 GLU 38 1HB GLU 38 18.011 3.481 1.470 258 HB3 GLU 38 2HB GLU 38 18.491 1.791 1.420 259 HG2 GLU 38 1HG GLU 38 16.338 1.142 0.588 260 HG3 GLU 38 2HG GLU 38 15.722 2.782 0.789 261 H LYS 39 H LYS 39 17.745 0.151 4.277 262 HA LYS 39 HA LYS 39 20.407 0.980 5.093 263 HB2 LYS 39 1HB LYS 39 18.111 0.647 6.974 264 HB3 LYS 39 2HB LYS 39 19.706 0.120 7.495 265 HG2 LYS 39 1HG LYS 39 19.224 2.872 6.404 266 HG3 LYS 39 2HG LYS 39 18.987 2.481 8.109 267 HD2 LYS 39 1HD LYS 39 21.554 1.891 6.655 268 HD3 LYS 39 2HD LYS 39 21.253 3.434 7.457 269 HE2 LYS 39 1HE LYS 39 20.843 0.881 8.953 270 HE3 LYS 39 2HE LYS 39 22.477 1.501 8.722 271 HZ1 LYS 39 3HZ LYS 39 22.132 3.178 10.151 272 HZ2 LYS 39 1HZ LYS 39 20.887 2.200 10.748 273 HZ3 LYS 39 2HZ LYS 39 20.536 3.440 9.653 274 HA PRO 40 HA PRO 40 20.972 -3.324 4.182 275 HB2 PRO 40 1HB PRO 40 23.590 -3.453 4.886 276 HB3 PRO 40 2HB PRO 40 23.036 -2.716 3.378 277 HG2 PRO 40 1HG PRO 40 23.801 -1.405 5.958 278 HG3 PRO 40 2HG PRO 40 24.203 -0.928 4.298 279 HD2 PRO 40 1HD PRO 40 22.228 0.262 5.718 280 HD3 PRO 40 2HD PRO 40 22.154 0.070 3.955 281 H SER 41 H SER 41 19.885 -4.571 5.625 282 HA SER 41 HA SER 41 19.912 -4.570 8.344 283 HB2 SER 41 1HB SER 41 19.667 -6.905 6.445 284 HB3 SER 41 2HB SER 41 19.407 -7.061 8.182 285 HG SER 41 HG SER 41 17.973 -5.410 6.374 286 H GLY 42 H GLY 42 22.060 -6.551 6.296 287 HA2 GLY 42 1HA GLY 42 24.298 -7.073 6.685 288 HA3 GLY 42 2HA GLY 42 24.181 -6.291 8.255 289 HA PRO 43 HA PRO 43 24.058 -11.033 8.541 290 HB2 PRO 43 1HB PRO 43 26.550 -11.414 9.549 291 HB3 PRO 43 2HB PRO 43 26.202 -11.426 7.816 292 HG2 PRO 43 1HG PRO 43 27.319 -9.224 9.508 293 HG3 PRO 43 2HG PRO 43 27.820 -9.758 7.893 294 HD2 PRO 43 1HD PRO 43 26.256 -7.583 8.288 295 HD3 PRO 43 2HD PRO 43 26.116 -8.610 6.848 296 H SER 44 H SER 44 24.157 -8.331 10.398 297 HA SER 44 HA SER 44 23.650 -9.867 12.836 298 HB2 SER 44 1HB SER 44 25.786 -7.818 12.459 299 HB3 SER 44 2HB SER 44 24.926 -7.842 13.998 300 HG SER 44 HG SER 44 26.105 -9.487 14.516 301 H SER 45 H SER 45 22.617 -8.501 14.539 302 HA SER 45 HA SER 45 20.854 -7.218 15.193 303 HB2 SER 45 1HB SER 45 22.254 -5.386 13.254 304 HB3 SER 45 2HB SER 45 20.799 -4.879 14.111 305 HG SER 45 HG SER 45 23.350 -5.474 15.121 306 H GLY 46 H GLY 46 20.184 -9.171 13.363 307 HA2 GLY 46 1HA GLY 46 18.231 -7.819 11.608 308 HA3 GLY 46 2HA GLY 46 18.920 -9.404 11.288 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -0.876 -31.526 12.009 2 HA2 GLY 1 1HA GLY 1 -1.667 -29.498 12.901 3 HA3 GLY 1 2HA GLY 1 -0.080 -29.212 13.600 4 H SER 2 H SER 2 -2.173 -28.080 11.383 5 HA SER 2 HA SER 2 -0.006 -26.967 9.726 6 HB2 SER 2 1HB SER 2 -2.688 -28.041 8.906 7 HB3 SER 2 2HB SER 2 -1.901 -26.793 7.940 8 HG SER 2 HG SER 2 -1.237 -28.733 7.125 9 H SER 3 H SER 3 0.159 -25.083 10.921 10 HA SER 3 HA SER 3 -2.128 -23.502 11.604 11 HB2 SER 3 1HB SER 3 0.015 -23.502 12.902 12 HB3 SER 3 2HB SER 3 0.778 -22.655 11.557 13 HG SER 3 HG SER 3 -0.223 -21.425 13.446 14 H GLY 4 H GLY 4 -3.258 -22.976 9.757 15 HA2 GLY 4 1HA GLY 4 -1.949 -21.847 7.455 16 HA3 GLY 4 2HA GLY 4 -3.683 -22.006 7.699 17 H SER 5 H SER 5 -4.805 -20.374 8.848 18 HA SER 5 HA SER 5 -3.523 -18.045 9.846 19 HB2 SER 5 1HB SER 5 -3.213 -17.760 7.354 20 HB3 SER 5 2HB SER 5 -4.969 -17.655 7.219 21 HG SER 5 HG SER 5 -3.193 -15.765 7.983 22 H SER 6 H SER 6 -4.965 -16.620 10.845 23 HA SER 6 HA SER 6 -7.445 -17.783 11.635 24 HB2 SER 6 1HB SER 6 -6.388 -14.991 12.144 25 HB3 SER 6 2HB SER 6 -7.728 -15.761 12.994 26 HG SER 6 HG SER 6 -6.239 -16.464 14.291 27 H GLY 7 H GLY 7 -9.465 -17.427 10.917 28 HA2 GLY 7 1HA GLY 7 -11.130 -16.767 9.476 29 HA3 GLY 7 2HA GLY 7 -10.507 -15.149 9.763 30 H THR 8 H THR 8 -11.238 -14.773 7.544 31 HA THR 8 HA THR 8 -9.337 -15.814 5.548 32 HB THR 8 HB THR 8 -11.013 -15.308 3.833 33 HG1 THR 8 HG1 THR 8 -12.195 -14.002 5.926 34 HG21 THR 8 3HG2 THR 8 -12.885 -16.881 4.917 35 HG22 THR 8 1HG2 THR 8 -11.589 -17.156 6.080 36 HG23 THR 8 2HG2 THR 8 -11.327 -17.499 4.369 37 H GLY 9 H GLY 9 -8.651 -14.340 3.861 38 HA2 GLY 9 1HA GLY 9 -9.118 -11.519 4.144 39 HA3 GLY 9 2HA GLY 9 -7.528 -12.002 4.716 40 H GLU 10 H GLU 10 -6.194 -13.271 3.152 41 HA GLU 10 HA GLU 10 -4.989 -13.068 1.203 42 HB2 GLU 10 1HB GLU 10 -6.780 -14.863 0.855 43 HB3 GLU 10 2HB GLU 10 -7.638 -13.664 -0.102 44 HG2 GLU 10 1HG GLU 10 -5.391 -13.468 -1.388 45 HG3 GLU 10 2HG GLU 10 -5.058 -15.044 -0.672 46 H LYS 11 H LYS 11 -5.717 -10.549 2.041 47 HA LYS 11 HA LYS 11 -7.148 -8.910 0.371 48 HB2 LYS 11 1HB LYS 11 -4.772 -8.521 2.115 49 HB3 LYS 11 2HB LYS 11 -5.147 -7.237 0.973 50 HG2 LYS 11 1HG LYS 11 -6.160 -6.770 3.110 51 HG3 LYS 11 2HG LYS 11 -7.412 -7.086 1.906 52 HD2 LYS 11 1HD LYS 11 -8.151 -8.314 3.726 53 HD3 LYS 11 2HD LYS 11 -7.283 -9.526 2.781 54 HE2 LYS 11 1HE LYS 11 -6.429 -9.925 4.872 55 HE3 LYS 11 2HE LYS 11 -5.252 -8.766 4.255 56 HZ1 LYS 11 3HZ LYS 11 -6.718 -8.551 6.569 57 HZ2 LYS 11 1HZ LYS 11 -7.435 -7.446 5.508 58 HZ3 LYS 11 2HZ LYS 11 -5.782 -7.339 5.849 59 HA PRO 12 HA PRO 12 -5.103 -9.038 -3.533 60 HB2 PRO 12 1HB PRO 12 -6.099 -6.740 -4.580 61 HB3 PRO 12 2HB PRO 12 -7.060 -8.213 -4.409 62 HG2 PRO 12 1HG PRO 12 -6.978 -5.790 -2.653 63 HG3 PRO 12 2HG PRO 12 -8.380 -6.725 -3.204 64 HD2 PRO 12 1HD PRO 12 -7.313 -7.020 -0.733 65 HD3 PRO 12 2HD PRO 12 -8.073 -8.363 -1.611 66 H PHE 13 H PHE 13 -4.966 -6.115 -1.556 67 HA PHE 13 HA PHE 13 -2.588 -5.189 -2.964 68 HB2 PHE 13 1HB PHE 13 -3.980 -3.908 -0.607 69 HB3 PHE 13 2HB PHE 13 -2.810 -3.157 -1.688 70 HD1 PHE 13 HD2 PHE 13 -6.271 -4.261 -1.297 71 HD2 PHE 13 HD1 PHE 13 -3.447 -2.425 -3.899 72 HE1 PHE 13 HE2 PHE 13 -8.108 -3.480 -2.734 73 HE2 PHE 13 HE1 PHE 13 -5.280 -1.639 -5.339 74 HZ PHE 13 HZ PHE 13 -7.614 -2.167 -4.758 75 H GLU 14 H GLU 14 -0.586 -5.572 -2.285 76 HA GLU 14 HA GLU 14 -0.105 -6.131 0.548 77 HB2 GLU 14 1HB GLU 14 -0.386 -8.289 -0.746 78 HB3 GLU 14 2HB GLU 14 1.068 -7.853 -1.634 79 HG2 GLU 14 1HG GLU 14 2.403 -7.973 0.322 80 HG3 GLU 14 2HG GLU 14 0.983 -8.107 1.358 81 H CYS 15 H CYS 15 1.627 -5.094 1.305 82 HA CYS 15 HA CYS 15 3.032 -3.203 -0.141 83 HB2 CYS 15 1HB CYS 15 2.867 -3.721 2.455 84 HB3 CYS 15 2HB CYS 15 4.398 -4.537 2.154 85 H SER 16 H SER 16 5.636 -3.330 -0.024 86 HA SER 16 HA SER 16 6.402 -5.789 -1.457 87 HB2 SER 16 1HB SER 16 7.115 -2.918 -2.056 88 HB3 SER 16 2HB SER 16 8.028 -4.276 -2.714 89 HG SER 16 HG SER 16 5.321 -3.595 -3.160 90 H GLU 17 H GLU 17 7.274 -3.321 0.843 91 HA GLU 17 HA GLU 17 9.932 -4.421 1.249 92 HB2 GLU 17 1HB GLU 17 8.434 -2.072 2.371 93 HB3 GLU 17 2HB GLU 17 9.911 -2.640 3.138 94 HG2 GLU 17 1HG GLU 17 9.607 -1.641 0.317 95 HG3 GLU 17 2HG GLU 17 10.429 -0.834 1.651 96 H CYS 18 H CYS 18 7.115 -3.778 3.344 97 HA CYS 18 HA CYS 18 8.082 -5.756 5.250 98 HB2 CYS 18 1HB CYS 18 6.420 -4.909 6.752 99 HB3 CYS 18 2HB CYS 18 7.183 -3.523 5.980 100 H GLN 19 H GLN 19 6.051 -5.645 2.572 101 HA GLN 19 HA GLN 19 4.545 -7.087 1.662 102 HB2 GLN 19 1HB GLN 19 5.774 -9.038 3.617 103 HB3 GLN 19 2HB GLN 19 4.798 -9.464 2.217 104 HG2 GLN 19 1HG GLN 19 7.255 -7.829 1.825 105 HG3 GLN 19 2HG GLN 19 7.407 -9.561 2.119 106 HE21 GLN 19 1HE2 GLN 19 7.010 -7.211 -0.196 107 HE22 GLN 19 2HE2 GLN 19 6.480 -8.206 -1.506 108 H LYS 20 H LYS 20 3.429 -5.442 3.507 109 HA LYS 20 HA LYS 20 1.828 -7.033 5.341 110 HB2 LYS 20 1HB LYS 20 2.703 -4.888 6.118 111 HB3 LYS 20 2HB LYS 20 1.874 -4.057 4.809 112 HG2 LYS 20 1HG LYS 20 -0.172 -4.234 5.803 113 HG3 LYS 20 2HG LYS 20 0.254 -5.710 6.672 114 HD2 LYS 20 1HD LYS 20 1.479 -3.037 7.317 115 HD3 LYS 20 2HD LYS 20 -0.016 -3.603 8.067 116 HE2 LYS 20 1HE LYS 20 2.338 -5.418 8.084 117 HE3 LYS 20 2HE LYS 20 2.356 -4.029 9.169 118 HZ1 LYS 20 3HZ LYS 20 1.177 -6.427 9.671 119 HZ2 LYS 20 1HZ LYS 20 -0.131 -5.448 9.228 120 HZ3 LYS 20 2HZ LYS 20 0.877 -4.986 10.505 121 H ALA 21 H ALA 21 -0.494 -6.949 5.352 122 HA ALA 21 HA ALA 21 -1.586 -6.927 2.645 123 HB1 ALA 21 3HB ALA 21 -2.830 -7.899 5.215 124 HB2 ALA 21 1HB ALA 21 -3.480 -8.122 3.590 125 HB3 ALA 21 2HB ALA 21 -1.965 -8.901 4.050 126 H PHE 22 H PHE 22 -3.416 -5.753 2.045 127 HA PHE 22 HA PHE 22 -4.438 -3.767 3.933 128 HB2 PHE 22 1HB PHE 22 -3.082 -3.174 1.317 129 HB3 PHE 22 2HB PHE 22 -4.297 -2.079 1.969 130 HD1 PHE 22 HD1 PHE 22 -3.871 -0.801 3.982 131 HD2 PHE 22 HD2 PHE 22 -0.927 -3.417 2.368 132 HE1 PHE 22 HE1 PHE 22 -2.158 0.263 5.391 133 HE2 PHE 22 HE2 PHE 22 0.791 -2.358 3.776 134 HZ PHE 22 HZ PHE 22 0.176 -0.516 5.291 135 H ASN 23 H ASN 23 -6.467 -2.827 3.297 136 HA ASN 23 HA ASN 23 -8.057 -4.683 1.709 137 HB2 ASN 23 1HB ASN 23 -9.916 -3.022 2.619 138 HB3 ASN 23 2HB ASN 23 -9.237 -4.285 3.641 139 HD21 ASN 23 1HD2 ASN 23 -9.648 -0.940 3.165 140 HD22 ASN 23 2HD2 ASN 23 -8.771 -0.398 4.552 141 H THR 24 H THR 24 -7.477 -1.178 1.915 142 HA THR 24 HA THR 24 -8.518 -0.915 -0.826 143 HB THR 24 HB THR 24 -8.673 1.537 -0.298 144 HG1 THR 24 HG1 THR 24 -8.757 1.819 2.144 145 HG21 THR 24 3HG2 THR 24 -10.278 -0.610 0.942 146 HG22 THR 24 1HG2 THR 24 -10.771 0.695 -0.136 147 HG23 THR 24 2HG2 THR 24 -10.532 1.013 1.582 148 H LYS 25 H LYS 25 -7.303 0.025 -2.417 149 HA LYS 25 HA LYS 25 -4.528 -0.194 -2.322 150 HB2 LYS 25 1HB LYS 25 -6.205 0.042 -4.335 151 HB3 LYS 25 2HB LYS 25 -5.821 1.752 -4.191 152 HG2 LYS 25 1HG LYS 25 -3.559 -0.162 -4.288 153 HG3 LYS 25 2HG LYS 25 -4.463 0.128 -5.776 154 HD2 LYS 25 1HD LYS 25 -3.617 2.484 -4.172 155 HD3 LYS 25 2HD LYS 25 -2.381 1.618 -5.087 156 HE2 LYS 25 1HE LYS 25 -4.222 1.808 -6.995 157 HE3 LYS 25 2HE LYS 25 -4.696 3.213 -6.042 158 HZ1 LYS 25 3HZ LYS 25 -2.852 3.311 -7.933 159 HZ2 LYS 25 1HZ LYS 25 -1.857 2.934 -6.618 160 HZ3 LYS 25 2HZ LYS 25 -2.823 4.322 -6.577 161 H SER 26 H SER 26 -6.557 2.718 -2.089 162 HA SER 26 HA SER 26 -4.622 4.657 -1.919 163 HB2 SER 26 1HB SER 26 -7.278 4.444 -0.498 164 HB3 SER 26 2HB SER 26 -6.274 5.891 -0.429 165 HG SER 26 HG SER 26 -7.181 4.690 -2.834 166 H ASN 27 H ASN 27 -5.954 2.738 0.763 167 HA ASN 27 HA ASN 27 -4.497 3.871 2.839 168 HB2 ASN 27 1HB ASN 27 -5.655 1.129 2.419 169 HB3 ASN 27 2HB ASN 27 -4.745 1.507 3.879 170 HD21 ASN 27 1HD2 ASN 27 -6.876 0.926 4.816 171 HD22 ASN 27 2HD2 ASN 27 -8.037 2.191 5.009 172 H LEU 28 H LEU 28 -3.653 1.119 0.758 173 HA LEU 28 HA LEU 28 -1.256 0.390 1.938 174 HB2 LEU 28 1HB LEU 28 -2.086 -1.034 0.285 175 HB3 LEU 28 2HB LEU 28 -2.253 0.274 -0.885 176 HG LEU 28 HG LEU 28 0.214 0.366 -1.073 177 HD11 LEU 28 1HD1 LEU 28 1.269 -0.466 0.736 178 HD12 LEU 28 2HD1 LEU 28 1.186 -1.973 -0.176 179 HD13 LEU 28 3HD1 LEU 28 -0.006 -1.636 1.079 180 HD21 LEU 28 3HD2 LEU 28 0.019 -2.371 -1.768 181 HD22 LEU 28 1HD2 LEU 28 -0.127 -0.960 -2.816 182 HD23 LEU 28 2HD2 LEU 28 -1.561 -1.636 -2.043 183 H ILE 29 H ILE 29 -1.716 2.638 -0.792 184 HA ILE 29 HA ILE 29 0.895 3.420 -1.175 185 HB ILE 29 HB ILE 29 -1.571 5.152 -1.375 186 HG12 ILE 29 1HG1 ILE 29 -0.113 3.811 -3.640 187 HG13 ILE 29 2HG1 ILE 29 -1.366 2.965 -2.739 188 HG21 ILE 29 1HG2 ILE 29 0.730 6.290 -1.262 189 HG22 ILE 29 2HG2 ILE 29 0.994 5.594 -2.860 190 HG23 ILE 29 3HG2 ILE 29 -0.343 6.713 -2.596 191 HD11 ILE 29 3HD1 ILE 29 -2.312 3.907 -4.725 192 HD12 ILE 29 1HD1 ILE 29 -2.942 4.775 -3.326 193 HD13 ILE 29 2HD1 ILE 29 -1.680 5.503 -4.320 194 H VAL 30 H VAL 30 -1.484 4.942 0.997 195 HA VAL 30 HA VAL 30 0.147 6.932 2.046 196 HB VAL 30 HB VAL 30 -1.909 5.463 3.686 197 HG11 VAL 30 1HG1 VAL 30 -1.482 8.416 3.653 198 HG12 VAL 30 2HG1 VAL 30 -2.068 7.377 4.954 199 HG13 VAL 30 3HG1 VAL 30 -0.354 7.387 4.535 200 HG21 VAL 30 3HG2 VAL 30 -3.474 5.966 2.190 201 HG22 VAL 30 1HG2 VAL 30 -3.113 7.674 2.439 202 HG23 VAL 30 2HG2 VAL 30 -2.289 6.775 1.165 203 H HIS 31 H HIS 31 0.295 3.547 2.502 204 HA HIS 31 HA HIS 31 1.824 3.766 4.979 205 HB2 HIS 31 1HB HIS 31 0.316 1.965 5.079 206 HB3 HIS 31 2HB HIS 31 0.680 1.453 3.433 207 HD1 HIS 31 HD1 HIS 31 2.104 1.368 6.918 208 HD2 HIS 31 HD2 HIS 31 2.773 -0.330 3.185 209 HE1 HIS 31 HE1 HIS 31 3.797 -0.452 7.300 210 H GLN 32 H GLN 32 2.217 2.727 1.621 211 HA GLN 32 HA GLN 32 4.773 1.710 1.688 212 HB2 GLN 32 1HB GLN 32 3.234 3.203 -0.404 213 HB3 GLN 32 2HB GLN 32 4.916 2.780 -0.696 214 HG2 GLN 32 1HG GLN 32 4.441 0.451 -0.477 215 HG3 GLN 32 2HG GLN 32 2.795 0.787 0.057 216 HE21 GLN 32 1HE2 GLN 32 3.020 -0.909 -1.952 217 HE22 GLN 32 2HE2 GLN 32 2.574 -0.185 -3.456 218 H ARG 33 H ARG 33 3.761 5.089 1.559 219 HA ARG 33 HA ARG 33 6.029 6.442 0.991 220 HB2 ARG 33 1HB ARG 33 5.272 8.216 2.521 221 HB3 ARG 33 2HB ARG 33 3.947 7.566 1.564 222 HG2 ARG 33 1HG ARG 33 3.369 6.119 3.534 223 HG3 ARG 33 2HG ARG 33 4.552 7.044 4.461 224 HD2 ARG 33 1HD ARG 33 3.230 9.104 3.588 225 HD3 ARG 33 2HD ARG 33 1.949 7.931 3.286 226 HE ARG 33 HE ARG 33 1.628 7.727 5.559 227 HH11 ARG 33 1HH1 ARG 33 4.525 9.550 4.923 228 HH12 ARG 33 2HH1 ARG 33 4.718 10.064 6.566 229 HH21 ARG 33 1HH2 ARG 33 1.872 8.397 7.726 230 HH22 ARG 33 2HH2 ARG 33 3.209 9.407 8.160 231 H THR 34 H THR 34 5.262 4.957 4.116 232 HA THR 34 HA THR 34 7.352 5.837 5.658 233 HB THR 34 HB THR 34 7.149 3.814 6.979 234 HG1 THR 34 HG1 THR 34 5.318 2.621 5.253 235 HG21 THR 34 3HG2 THR 34 4.699 5.124 5.919 236 HG22 THR 34 1HG2 THR 34 5.350 5.104 7.557 237 HG23 THR 34 2HG2 THR 34 4.496 3.694 6.930 238 H HIS 35 H HIS 35 7.370 3.198 3.299 239 HA HIS 35 HA HIS 35 10.071 2.430 3.834 240 HB2 HIS 35 1HB HIS 35 8.289 1.840 1.462 241 HB3 HIS 35 2HB HIS 35 9.843 1.073 1.771 242 HD1 HIS 35 HD1 HIS 35 9.763 0.122 4.531 243 HD2 HIS 35 HD2 HIS 35 6.346 0.117 2.167 244 HE1 HIS 35 HE1 HIS 35 8.225 -1.571 5.576 245 H THR 36 H THR 36 8.650 3.811 0.866 246 HA THR 36 HA THR 36 11.242 5.092 0.327 247 HB THR 36 HB THR 36 9.063 4.860 -1.721 248 HG1 THR 36 HG1 THR 36 9.841 2.761 -0.550 249 HG21 THR 36 3HG2 THR 36 10.820 5.031 -3.283 250 HG22 THR 36 1HG2 THR 36 12.044 4.649 -2.073 251 HG23 THR 36 2HG2 THR 36 11.212 6.204 -2.025 252 H GLY 37 H GLY 37 11.376 7.197 0.722 253 HA2 GLY 37 1HA GLY 37 9.231 8.979 -0.063 254 HA3 GLY 37 2HA GLY 37 9.519 8.901 1.669 255 H GLU 38 H GLU 38 11.446 9.195 -1.321 256 HA GLU 38 HA GLU 38 13.555 10.610 -0.085 257 HB2 GLU 38 1HB GLU 38 12.756 10.543 -3.000 258 HB3 GLU 38 2HB GLU 38 14.300 11.108 -2.376 259 HG2 GLU 38 1HG GLU 38 13.286 8.313 -1.950 260 HG3 GLU 38 2HG GLU 38 14.273 8.783 -3.332 261 H LYS 39 H LYS 39 14.220 12.846 -0.767 262 HA LYS 39 HA LYS 39 12.246 14.706 0.014 263 HB2 LYS 39 1HB LYS 39 14.574 15.156 0.451 264 HB3 LYS 39 2HB LYS 39 14.955 15.097 -1.265 265 HG2 LYS 39 1HG LYS 39 13.863 17.138 -1.685 266 HG3 LYS 39 2HG LYS 39 13.060 17.120 -0.113 267 HD2 LYS 39 1HD LYS 39 14.796 18.671 0.140 268 HD3 LYS 39 2HD LYS 39 15.419 17.197 0.883 269 HE2 LYS 39 1HE LYS 39 16.356 16.764 -1.533 270 HE3 LYS 39 2HE LYS 39 16.190 18.513 -1.680 271 HZ1 LYS 39 3HZ LYS 39 18.249 18.467 -0.806 272 HZ2 LYS 39 1HZ LYS 39 18.044 16.955 -0.075 273 HZ3 LYS 39 2HZ LYS 39 17.420 18.342 0.664 274 HA PRO 40 HA PRO 40 10.236 15.177 -3.930 275 HB2 PRO 40 1HB PRO 40 8.520 17.128 -3.141 276 HB3 PRO 40 2HB PRO 40 8.290 15.424 -2.732 277 HG2 PRO 40 1HG PRO 40 9.439 17.632 -1.069 278 HG3 PRO 40 2HG PRO 40 8.303 16.353 -0.601 279 HD2 PRO 40 1HD PRO 40 10.948 16.231 -0.033 280 HD3 PRO 40 2HD PRO 40 9.974 14.783 -0.359 281 H SER 41 H SER 41 11.319 17.973 -2.022 282 HA SER 41 HA SER 41 12.376 19.175 -4.468 283 HB2 SER 41 1HB SER 41 10.585 20.663 -2.532 284 HB3 SER 41 2HB SER 41 11.423 21.375 -3.910 285 HG SER 41 HG SER 41 9.636 19.208 -4.211 286 H GLY 42 H GLY 42 14.260 20.271 -4.182 287 HA2 GLY 42 1HA GLY 42 15.302 20.343 -1.423 288 HA3 GLY 42 2HA GLY 42 16.293 20.166 -2.863 289 HA PRO 43 HA PRO 43 15.490 24.734 -1.530 290 HB2 PRO 43 1HB PRO 43 17.444 25.124 0.315 291 HB3 PRO 43 2HB PRO 43 15.802 24.627 0.744 292 HG2 PRO 43 1HG PRO 43 18.272 22.960 0.458 293 HG3 PRO 43 2HG PRO 43 17.016 22.893 1.708 294 HD2 PRO 43 1HD PRO 43 17.104 21.152 -0.364 295 HD3 PRO 43 2HD PRO 43 15.579 21.679 0.375 296 H SER 44 H SER 44 18.408 22.820 -1.955 297 HA SER 44 HA SER 44 19.526 24.998 -3.594 298 HB2 SER 44 1HB SER 44 20.700 24.510 -1.350 299 HB3 SER 44 2HB SER 44 21.248 23.018 -2.114 300 HG SER 44 HG SER 44 21.621 25.529 -3.349 301 H SER 45 H SER 45 19.919 21.506 -2.971 302 HA SER 45 HA SER 45 20.714 21.048 -5.713 303 HB2 SER 45 1HB SER 45 20.328 19.204 -3.350 304 HB3 SER 45 2HB SER 45 20.786 18.630 -4.953 305 HG SER 45 HG SER 45 22.233 20.630 -3.565 306 H GLY 46 H GLY 46 19.447 20.393 -7.337 307 HA2 GLY 46 1HA GLY 46 16.758 19.370 -6.677 308 HA3 GLY 46 2HA GLY 46 16.974 20.627 -7.887 Start of MODEL 18 1 H1 GLY 1 H GLY 1 5.638 -25.715 20.537 2 HA2 GLY 1 1HA GLY 1 6.584 -28.486 20.158 3 HA3 GLY 1 2HA GLY 1 4.925 -28.145 20.625 4 H SER 2 H SER 2 3.510 -27.184 19.112 5 HA SER 2 HA SER 2 4.458 -26.867 16.376 6 HB2 SER 2 1HB SER 2 2.335 -28.874 17.163 7 HB3 SER 2 2HB SER 2 2.646 -28.359 15.506 8 HG SER 2 HG SER 2 4.831 -29.121 15.836 9 H SER 3 H SER 3 3.476 -25.212 15.404 10 HA SER 3 HA SER 3 1.898 -23.372 16.606 11 HB2 SER 3 1HB SER 3 2.840 -22.856 14.475 12 HB3 SER 3 2HB SER 3 1.965 -24.172 13.694 13 HG SER 3 HG SER 3 0.728 -21.929 14.914 14 H GLY 4 H GLY 4 -0.362 -22.803 16.455 15 HA2 GLY 4 1HA GLY 4 -2.258 -24.841 15.666 16 HA3 GLY 4 2HA GLY 4 -2.147 -24.593 17.403 17 H SER 5 H SER 5 -2.025 -22.011 17.827 18 HA SER 5 HA SER 5 -4.503 -20.993 16.624 19 HB2 SER 5 1HB SER 5 -4.623 -19.509 18.600 20 HB3 SER 5 2HB SER 5 -4.548 -21.210 19.060 21 HG SER 5 HG SER 5 -2.270 -19.528 18.932 22 H SER 6 H SER 6 -3.531 -20.191 14.719 23 HA SER 6 HA SER 6 -2.396 -17.545 15.046 24 HB2 SER 6 1HB SER 6 -0.381 -17.897 13.882 25 HB3 SER 6 2HB SER 6 -0.482 -19.276 14.976 26 HG SER 6 HG SER 6 -0.275 -20.414 13.226 27 H GLY 7 H GLY 7 -2.069 -16.504 12.825 28 HA2 GLY 7 1HA GLY 7 -3.411 -17.559 10.561 29 HA3 GLY 7 2HA GLY 7 -4.481 -16.479 11.442 30 H THR 8 H THR 8 -4.027 -15.708 8.984 31 HA THR 8 HA THR 8 -2.462 -13.294 9.314 32 HB THR 8 HB THR 8 -0.791 -14.912 8.469 33 HG1 THR 8 HG1 THR 8 -0.052 -13.535 6.852 34 HG21 THR 8 3HG2 THR 8 -2.937 -15.676 6.758 35 HG22 THR 8 1HG2 THR 8 -1.341 -16.408 6.914 36 HG23 THR 8 2HG2 THR 8 -1.603 -15.103 5.757 37 H GLY 9 H GLY 9 -2.963 -11.669 7.783 38 HA2 GLY 9 1HA GLY 9 -5.629 -11.890 6.719 39 HA3 GLY 9 2HA GLY 9 -4.592 -10.473 6.653 40 H GLU 10 H GLU 10 -6.291 -12.001 4.631 41 HA GLU 10 HA GLU 10 -4.187 -12.267 2.585 42 HB2 GLU 10 1HB GLU 10 -5.465 -14.391 3.305 43 HB3 GLU 10 2HB GLU 10 -6.828 -13.697 2.438 44 HG2 GLU 10 1HG GLU 10 -5.312 -13.541 0.428 45 HG3 GLU 10 2HG GLU 10 -4.162 -14.526 1.332 46 H LYS 11 H LYS 11 -4.331 -10.180 1.819 47 HA LYS 11 HA LYS 11 -6.903 -9.447 0.580 48 HB2 LYS 11 1HB LYS 11 -4.951 -7.856 2.152 49 HB3 LYS 11 2HB LYS 11 -5.692 -7.058 0.771 50 HG2 LYS 11 1HG LYS 11 -7.043 -6.515 2.604 51 HG3 LYS 11 2HG LYS 11 -7.924 -7.774 1.736 52 HD2 LYS 11 1HD LYS 11 -8.109 -8.558 3.880 53 HD3 LYS 11 2HD LYS 11 -6.613 -9.356 3.389 54 HE2 LYS 11 1HE LYS 11 -5.291 -7.693 4.501 55 HE3 LYS 11 2HE LYS 11 -6.719 -6.716 4.838 56 HZ1 LYS 11 3HZ LYS 11 -7.051 -7.845 6.697 57 HZ2 LYS 11 1HZ LYS 11 -5.612 -8.694 6.433 58 HZ3 LYS 11 2HZ LYS 11 -7.078 -9.319 5.866 59 HA PRO 12 HA PRO 12 -4.958 -9.153 -3.341 60 HB2 PRO 12 1HB PRO 12 -6.075 -6.919 -4.405 61 HB3 PRO 12 2HB PRO 12 -6.967 -8.430 -4.190 62 HG2 PRO 12 1HG PRO 12 -6.957 -5.975 -2.476 63 HG3 PRO 12 2HG PRO 12 -8.327 -6.980 -2.983 64 HD2 PRO 12 1HD PRO 12 -7.198 -7.185 -0.530 65 HD3 PRO 12 2HD PRO 12 -7.916 -8.575 -1.370 66 H PHE 13 H PHE 13 -4.994 -6.092 -1.545 67 HA PHE 13 HA PHE 13 -2.634 -5.155 -2.964 68 HB2 PHE 13 1HB PHE 13 -4.077 -3.804 -0.679 69 HB3 PHE 13 2HB PHE 13 -2.967 -3.066 -1.829 70 HD1 PHE 13 HD2 PHE 13 -6.357 -4.314 -1.294 71 HD2 PHE 13 HD1 PHE 13 -3.677 -2.521 -4.072 72 HE1 PHE 13 HE2 PHE 13 -8.258 -3.724 -2.741 73 HE2 PHE 13 HE1 PHE 13 -5.574 -1.928 -5.524 74 HZ PHE 13 HZ PHE 13 -7.867 -2.530 -4.859 75 H GLU 14 H GLU 14 -0.703 -5.833 -2.327 76 HA GLU 14 HA GLU 14 -0.200 -6.112 0.562 77 HB2 GLU 14 1HB GLU 14 -0.345 -8.301 -0.707 78 HB3 GLU 14 2HB GLU 14 1.101 -7.802 -1.574 79 HG2 GLU 14 1HG GLU 14 2.452 -8.012 0.276 80 HG3 GLU 14 2HG GLU 14 1.111 -7.828 1.407 81 H CYS 15 H CYS 15 1.594 -5.152 1.345 82 HA CYS 15 HA CYS 15 2.872 -3.126 -0.070 83 HB2 CYS 15 1HB CYS 15 2.758 -3.706 2.512 84 HB3 CYS 15 2HB CYS 15 4.312 -4.463 2.179 85 H SER 16 H SER 16 5.454 -3.114 -0.053 86 HA SER 16 HA SER 16 6.293 -5.494 -1.578 87 HB2 SER 16 1HB SER 16 6.843 -2.570 -2.012 88 HB3 SER 16 2HB SER 16 7.943 -3.794 -2.646 89 HG SER 16 HG SER 16 6.590 -3.923 -4.239 90 H GLU 17 H GLU 17 7.119 -3.162 0.879 91 HA GLU 17 HA GLU 17 9.800 -4.210 1.219 92 HB2 GLU 17 1HB GLU 17 8.211 -2.076 2.633 93 HB3 GLU 17 2HB GLU 17 9.786 -2.604 3.209 94 HG2 GLU 17 1HG GLU 17 10.369 -2.108 0.630 95 HG3 GLU 17 2HG GLU 17 9.076 -0.939 0.892 96 H CYS 18 H CYS 18 7.027 -3.802 3.430 97 HA CYS 18 HA CYS 18 8.031 -6.001 5.061 98 HB2 CYS 18 1HB CYS 18 6.317 -5.314 6.678 99 HB3 CYS 18 2HB CYS 18 7.320 -3.949 6.199 100 H GLN 19 H GLN 19 5.854 -5.510 2.538 101 HA GLN 19 HA GLN 19 4.279 -6.810 1.538 102 HB2 GLN 19 1HB GLN 19 5.528 -8.974 3.239 103 HB3 GLN 19 2HB GLN 19 4.435 -9.250 1.890 104 HG2 GLN 19 1HG GLN 19 6.960 -7.709 1.488 105 HG3 GLN 19 2HG GLN 19 6.985 -9.471 1.538 106 HE21 GLN 19 1HE2 GLN 19 7.778 -8.123 -0.704 107 HE22 GLN 19 2HE2 GLN 19 6.632 -8.373 -1.972 108 H LYS 20 H LYS 20 3.208 -5.310 3.452 109 HA LYS 20 HA LYS 20 1.707 -6.934 5.324 110 HB2 LYS 20 1HB LYS 20 2.641 -4.508 5.652 111 HB3 LYS 20 2HB LYS 20 1.162 -4.030 4.829 112 HG2 LYS 20 1HG LYS 20 0.405 -3.941 6.956 113 HG3 LYS 20 2HG LYS 20 0.094 -5.651 6.647 114 HD2 LYS 20 1HD LYS 20 2.286 -6.193 7.656 115 HD3 LYS 20 2HD LYS 20 2.508 -4.482 8.033 116 HE2 LYS 20 1HE LYS 20 0.476 -4.542 9.413 117 HE3 LYS 20 2HE LYS 20 0.291 -6.258 9.053 118 HZ1 LYS 20 3HZ LYS 20 2.293 -6.746 10.207 119 HZ2 LYS 20 1HZ LYS 20 1.366 -5.761 11.223 120 HZ3 LYS 20 2HZ LYS 20 2.681 -5.109 10.383 121 H ALA 21 H ALA 21 -0.590 -7.031 5.392 122 HA ALA 21 HA ALA 21 -1.782 -7.101 2.739 123 HB1 ALA 21 3HB ALA 21 -1.963 -8.833 4.776 124 HB2 ALA 21 1HB ALA 21 -3.392 -7.851 5.100 125 HB3 ALA 21 2HB ALA 21 -3.212 -8.659 3.542 126 H PHE 22 H PHE 22 -3.006 -5.523 1.960 127 HA PHE 22 HA PHE 22 -4.307 -3.684 3.859 128 HB2 PHE 22 1HB PHE 22 -2.960 -3.101 1.225 129 HB3 PHE 22 2HB PHE 22 -4.082 -1.973 1.977 130 HD1 PHE 22 HD1 PHE 22 -3.524 -0.945 4.154 131 HD2 PHE 22 HD2 PHE 22 -0.740 -3.349 2.013 132 HE1 PHE 22 HE1 PHE 22 -1.690 -0.027 5.514 133 HE2 PHE 22 HE2 PHE 22 1.098 -2.435 3.369 134 HZ PHE 22 HZ PHE 22 0.624 -0.772 5.123 135 H ASN 23 H ASN 23 -6.401 -3.065 3.450 136 HA ASN 23 HA ASN 23 -7.919 -4.816 1.743 137 HB2 ASN 23 1HB ASN 23 -8.752 -2.509 3.513 138 HB3 ASN 23 2HB ASN 23 -9.879 -3.541 2.637 139 HD21 ASN 23 1HD2 ASN 23 -9.032 -3.010 5.573 140 HD22 ASN 23 2HD2 ASN 23 -8.954 -4.602 6.239 141 H THR 24 H THR 24 -7.287 -1.323 1.885 142 HA THR 24 HA THR 24 -8.253 -1.120 -0.893 143 HB THR 24 HB THR 24 -8.613 1.309 -0.413 144 HG1 THR 24 HG1 THR 24 -7.236 1.450 1.430 145 HG21 THR 24 3HG2 THR 24 -10.222 -0.870 0.213 146 HG22 THR 24 1HG2 THR 24 -10.743 0.805 0.037 147 HG23 THR 24 2HG2 THR 24 -10.327 0.173 1.631 148 H LYS 25 H LYS 25 -7.018 -0.043 -2.399 149 HA LYS 25 HA LYS 25 -4.240 -0.125 -2.140 150 HB2 LYS 25 1HB LYS 25 -5.334 -0.170 -4.312 151 HB3 LYS 25 2HB LYS 25 -5.945 1.461 -4.069 152 HG2 LYS 25 1HG LYS 25 -4.089 1.606 -5.536 153 HG3 LYS 25 2HG LYS 25 -3.573 2.246 -3.974 154 HD2 LYS 25 1HD LYS 25 -2.176 0.479 -3.559 155 HD3 LYS 25 2HD LYS 25 -3.135 -0.645 -4.525 156 HE2 LYS 25 1HE LYS 25 -2.314 0.357 -6.568 157 HE3 LYS 25 2HE LYS 25 -1.440 1.582 -5.650 158 HZ1 LYS 25 3HZ LYS 25 0.190 0.048 -6.123 159 HZ2 LYS 25 1HZ LYS 25 -0.840 -1.283 -5.953 160 HZ3 LYS 25 2HZ LYS 25 -0.298 -0.453 -4.582 161 H SER 26 H SER 26 -6.416 2.693 -2.069 162 HA SER 26 HA SER 26 -4.679 4.752 -1.780 163 HB2 SER 26 1HB SER 26 -7.211 4.366 -0.165 164 HB3 SER 26 2HB SER 26 -6.391 5.904 -0.433 165 HG SER 26 HG SER 26 -6.691 5.217 -2.788 166 H ASN 27 H ASN 27 -5.775 2.616 0.838 167 HA ASN 27 HA ASN 27 -4.336 3.854 2.908 168 HB2 ASN 27 1HB ASN 27 -5.563 1.153 2.519 169 HB3 ASN 27 2HB ASN 27 -4.499 1.414 3.898 170 HD21 ASN 27 1HD2 ASN 27 -7.049 3.263 2.257 171 HD22 ASN 27 2HD2 ASN 27 -7.933 3.639 3.693 172 H LEU 28 H LEU 28 -3.516 1.065 0.862 173 HA LEU 28 HA LEU 28 -1.065 0.418 1.986 174 HB2 LEU 28 1HB LEU 28 -1.999 -1.061 0.406 175 HB3 LEU 28 2HB LEU 28 -2.103 0.198 -0.823 176 HG LEU 28 HG LEU 28 0.360 0.189 -0.998 177 HD11 LEU 28 1HD1 LEU 28 0.664 -2.375 0.373 178 HD12 LEU 28 2HD1 LEU 28 0.321 -1.019 1.447 179 HD13 LEU 28 3HD1 LEU 28 1.712 -0.956 0.366 180 HD21 LEU 28 3HD2 LEU 28 -0.801 -1.112 -2.599 181 HD22 LEU 28 1HD2 LEU 28 -1.112 -2.399 -1.434 182 HD23 LEU 28 2HD2 LEU 28 0.529 -2.114 -2.015 183 H ILE 29 H ILE 29 -1.690 2.578 -0.779 184 HA ILE 29 HA ILE 29 0.890 3.375 -1.320 185 HB ILE 29 HB ILE 29 -1.587 5.101 -1.434 186 HG12 ILE 29 1HG1 ILE 29 -0.323 3.683 -3.760 187 HG13 ILE 29 2HG1 ILE 29 -1.452 2.832 -2.711 188 HG21 ILE 29 1HG2 ILE 29 0.767 6.176 -1.549 189 HG22 ILE 29 2HG2 ILE 29 0.835 5.451 -3.154 190 HG23 ILE 29 3HG2 ILE 29 -0.436 6.609 -2.763 191 HD11 ILE 29 3HD1 ILE 29 -2.312 3.975 -4.860 192 HD12 ILE 29 1HD1 ILE 29 -3.239 4.128 -3.368 193 HD13 ILE 29 2HD1 ILE 29 -2.212 5.456 -3.909 194 H VAL 30 H VAL 30 -1.379 4.820 1.004 195 HA VAL 30 HA VAL 30 0.295 6.887 1.893 196 HB VAL 30 HB VAL 30 -1.831 5.441 3.480 197 HG11 VAL 30 1HG1 VAL 30 -0.631 8.188 3.819 198 HG12 VAL 30 2HG1 VAL 30 -1.977 7.532 4.753 199 HG13 VAL 30 3HG1 VAL 30 -0.377 6.801 4.879 200 HG21 VAL 30 3HG2 VAL 30 -3.336 6.351 2.125 201 HG22 VAL 30 1HG2 VAL 30 -2.706 7.955 2.503 202 HG23 VAL 30 2HG2 VAL 30 -2.046 7.046 1.144 203 H HIS 31 H HIS 31 0.464 3.522 2.404 204 HA HIS 31 HA HIS 31 2.060 3.787 4.837 205 HB2 HIS 31 1HB HIS 31 0.509 1.997 4.970 206 HB3 HIS 31 2HB HIS 31 0.924 1.417 3.360 207 HD1 HIS 31 HD1 HIS 31 2.438 1.663 6.826 208 HD2 HIS 31 HD2 HIS 31 2.855 -0.508 3.308 209 HE1 HIS 31 HE1 HIS 31 4.092 -0.157 7.351 210 H GLN 32 H GLN 32 2.350 2.485 1.543 211 HA GLN 32 HA GLN 32 4.902 1.532 1.546 212 HB2 GLN 32 1HB GLN 32 3.376 3.030 -0.567 213 HB3 GLN 32 2HB GLN 32 5.003 2.435 -0.869 214 HG2 GLN 32 1HG GLN 32 4.279 0.162 -0.415 215 HG3 GLN 32 2HG GLN 32 2.653 0.741 -0.054 216 HE21 GLN 32 1HE2 GLN 32 4.178 -0.913 -2.252 217 HE22 GLN 32 2HE2 GLN 32 3.413 -0.372 -3.703 218 H ARG 33 H ARG 33 3.891 4.889 1.538 219 HA ARG 33 HA ARG 33 6.379 6.053 0.915 220 HB2 ARG 33 1HB ARG 33 5.432 8.100 1.968 221 HB3 ARG 33 2HB ARG 33 4.363 7.365 0.781 222 HG2 ARG 33 1HG ARG 33 3.048 6.361 2.567 223 HG3 ARG 33 2HG ARG 33 4.132 7.066 3.768 224 HD2 ARG 33 1HD ARG 33 3.521 9.302 2.534 225 HD3 ARG 33 2HD ARG 33 2.104 8.384 2.025 226 HE ARG 33 HE ARG 33 2.084 7.961 4.658 227 HH11 ARG 33 1HH1 ARG 33 2.510 10.884 2.815 228 HH12 ARG 33 2HH1 ARG 33 1.807 11.905 4.026 229 HH21 ARG 33 1HH2 ARG 33 1.157 9.295 6.260 230 HH22 ARG 33 2HH2 ARG 33 1.039 11.000 5.986 231 H THR 34 H THR 34 4.922 5.058 3.969 232 HA THR 34 HA THR 34 6.719 6.207 5.750 233 HB THR 34 HB THR 34 6.028 4.565 7.369 234 HG1 THR 34 HG1 THR 34 5.554 2.588 6.785 235 HG21 THR 34 3HG2 THR 34 4.225 5.940 7.265 236 HG22 THR 34 1HG2 THR 34 3.442 4.488 6.642 237 HG23 THR 34 2HG2 THR 34 4.024 5.723 5.526 238 H HIS 35 H HIS 35 7.172 3.606 3.547 239 HA HIS 35 HA HIS 35 9.411 2.428 4.918 240 HB2 HIS 35 1HB HIS 35 8.035 1.998 2.304 241 HB3 HIS 35 2HB HIS 35 9.679 1.393 2.490 242 HD1 HIS 35 HD1 HIS 35 9.874 -0.022 4.967 243 HD2 HIS 35 HD2 HIS 35 6.250 0.088 2.937 244 HE1 HIS 35 HE1 HIS 35 8.558 -1.981 5.834 245 H THR 36 H THR 36 10.155 4.898 4.977 246 HA THR 36 HA THR 36 12.189 5.140 2.866 247 HB THR 36 HB THR 36 10.709 6.828 2.209 248 HG1 THR 36 HG1 THR 36 13.016 7.491 3.149 249 HG21 THR 36 3HG2 THR 36 10.443 7.905 4.999 250 HG22 THR 36 1HG2 THR 36 9.386 6.622 4.411 251 HG23 THR 36 2HG2 THR 36 9.409 8.188 3.599 252 H GLY 37 H GLY 37 11.183 6.287 6.086 253 HA2 GLY 37 1HA GLY 37 13.168 5.554 7.673 254 HA3 GLY 37 2HA GLY 37 13.971 6.831 6.771 255 H GLU 38 H GLU 38 13.428 8.972 7.141 256 HA GLU 38 HA GLU 38 12.672 10.784 8.294 257 HB2 GLU 38 1HB GLU 38 10.429 9.653 7.724 258 HB3 GLU 38 2HB GLU 38 10.434 9.100 9.392 259 HG2 GLU 38 1HG GLU 38 10.582 11.442 10.140 260 HG3 GLU 38 2HG GLU 38 10.484 11.960 8.458 261 H LYS 39 H LYS 39 14.622 9.120 9.451 262 HA LYS 39 HA LYS 39 13.987 9.367 12.319 263 HB2 LYS 39 1HB LYS 39 15.588 7.581 12.745 264 HB3 LYS 39 2HB LYS 39 14.355 7.037 11.614 265 HG2 LYS 39 1HG LYS 39 16.195 6.229 10.566 266 HG3 LYS 39 2HG LYS 39 16.149 7.837 9.841 267 HD2 LYS 39 1HD LYS 39 17.767 8.634 11.487 268 HD3 LYS 39 2HD LYS 39 17.798 7.037 12.240 269 HE2 LYS 39 1HE LYS 39 18.494 7.486 9.348 270 HE3 LYS 39 2HE LYS 39 19.691 7.583 10.638 271 HZ1 LYS 39 3HZ LYS 39 18.056 5.200 10.682 272 HZ2 LYS 39 1HZ LYS 39 19.728 5.371 10.878 273 HZ3 LYS 39 2HZ LYS 39 19.058 5.335 9.325 274 HA PRO 40 HA PRO 40 17.231 12.294 12.755 275 HB2 PRO 40 1HB PRO 40 18.063 11.764 15.284 276 HB3 PRO 40 2HB PRO 40 16.528 12.564 14.925 277 HG2 PRO 40 1HG PRO 40 17.058 9.694 15.592 278 HG3 PRO 40 2HG PRO 40 15.762 10.757 16.172 279 HD2 PRO 40 1HD PRO 40 15.383 8.935 14.204 280 HD3 PRO 40 2HD PRO 40 14.508 10.479 14.258 281 H SER 41 H SER 41 19.346 12.432 12.258 282 HA SER 41 HA SER 41 20.895 10.513 11.257 283 HB2 SER 41 1HB SER 41 21.514 12.936 11.438 284 HB3 SER 41 2HB SER 41 22.035 12.629 13.095 285 HG SER 41 HG SER 41 23.597 11.221 12.306 286 H GLY 42 H GLY 42 21.767 8.652 11.887 287 HA2 GLY 42 1HA GLY 42 21.890 8.086 14.769 288 HA3 GLY 42 2HA GLY 42 21.831 6.881 13.491 289 HA PRO 43 HA PRO 43 26.202 7.075 14.922 290 HB2 PRO 43 1HB PRO 43 26.602 4.395 14.755 291 HB3 PRO 43 2HB PRO 43 25.899 5.174 16.177 292 HG2 PRO 43 1HG PRO 43 24.531 3.749 13.928 293 HG3 PRO 43 2HG PRO 43 24.210 3.658 15.670 294 HD2 PRO 43 1HD PRO 43 22.705 5.153 13.987 295 HD3 PRO 43 2HD PRO 43 22.996 5.617 15.676 296 H SER 44 H SER 44 24.610 6.558 12.085 297 HA SER 44 HA SER 44 26.992 5.699 10.605 298 HB2 SER 44 1HB SER 44 24.058 5.727 9.994 299 HB3 SER 44 2HB SER 44 25.219 5.735 8.666 300 HG SER 44 HG SER 44 24.854 3.785 10.679 301 H SER 45 H SER 45 28.034 6.994 9.181 302 HA SER 45 HA SER 45 27.112 9.785 9.025 303 HB2 SER 45 1HB SER 45 29.399 10.451 8.766 304 HB3 SER 45 2HB SER 45 29.346 9.315 10.114 305 HG SER 45 HG SER 45 30.483 9.043 7.596 306 H GLY 46 H GLY 46 25.931 7.973 7.305 307 HA2 GLY 46 1HA GLY 46 27.311 8.332 4.735 308 HA3 GLY 46 2HA GLY 46 25.993 7.211 5.043 Start of MODEL 19 1 H1 GLY 1 H GLY 1 8.278 -31.120 1.482 2 HA2 GLY 1 1HA GLY 1 9.149 -28.680 1.686 3 HA3 GLY 1 2HA GLY 1 7.417 -28.942 1.835 4 H SER 2 H SER 2 9.889 -27.340 3.178 5 HA SER 2 HA SER 2 8.598 -27.322 5.822 6 HB2 SER 2 1HB SER 2 11.556 -27.373 5.214 7 HB3 SER 2 2HB SER 2 10.910 -26.882 6.780 8 HG SER 2 HG SER 2 9.978 -29.286 5.750 9 H SER 3 H SER 3 10.724 -25.578 3.580 10 HA SER 3 HA SER 3 10.308 -23.059 4.909 11 HB2 SER 3 1HB SER 3 12.426 -23.339 3.847 12 HB3 SER 3 2HB SER 3 11.676 -23.830 2.328 13 HG SER 3 HG SER 3 11.922 -21.786 1.869 14 H GLY 4 H GLY 4 8.488 -21.940 4.731 15 HA2 GLY 4 1HA GLY 4 7.397 -20.809 2.543 16 HA3 GLY 4 2HA GLY 4 6.665 -22.407 2.530 17 H SER 5 H SER 5 7.419 -20.075 5.118 18 HA SER 5 HA SER 5 4.655 -20.397 6.069 19 HB2 SER 5 1HB SER 5 6.373 -21.045 7.695 20 HB3 SER 5 2HB SER 5 7.114 -19.450 7.562 21 HG SER 5 HG SER 5 4.402 -19.650 8.247 22 H SER 6 H SER 6 3.494 -18.550 6.802 23 HA SER 6 HA SER 6 2.603 -16.488 6.380 24 HB2 SER 6 1HB SER 6 5.465 -15.890 7.107 25 HB3 SER 6 2HB SER 6 4.307 -14.598 6.789 26 HG SER 6 HG SER 6 4.428 -15.172 9.019 27 H GLY 7 H GLY 7 3.218 -17.847 4.025 28 HA2 GLY 7 1HA GLY 7 4.788 -16.555 2.150 29 HA3 GLY 7 2HA GLY 7 3.316 -17.436 1.768 30 H THR 8 H THR 8 1.547 -16.335 1.128 31 HA THR 8 HA THR 8 1.708 -13.392 1.207 32 HB THR 8 HB THR 8 0.267 -13.449 -0.864 33 HG1 THR 8 HG1 THR 8 0.846 -15.711 -1.919 34 HG21 THR 8 3HG2 THR 8 2.917 -14.821 -1.269 35 HG22 THR 8 1HG2 THR 8 2.783 -13.122 -0.817 36 HG23 THR 8 2HG2 THR 8 2.103 -13.685 -2.344 37 H GLY 9 H GLY 9 -0.091 -12.239 1.798 38 HA2 GLY 9 1HA GLY 9 -2.002 -13.543 3.439 39 HA3 GLY 9 2HA GLY 9 -2.041 -11.855 2.952 40 H GLU 10 H GLU 10 -4.402 -12.356 2.939 41 HA GLU 10 HA GLU 10 -5.205 -13.626 0.406 42 HB2 GLU 10 1HB GLU 10 -6.067 -14.601 2.589 43 HB3 GLU 10 2HB GLU 10 -6.992 -13.118 2.782 44 HG2 GLU 10 1HG GLU 10 -8.583 -14.353 1.775 45 HG3 GLU 10 2HG GLU 10 -7.776 -13.768 0.322 46 H LYS 11 H LYS 11 -4.353 -10.774 1.126 47 HA LYS 11 HA LYS 11 -6.775 -9.355 0.261 48 HB2 LYS 11 1HB LYS 11 -4.345 -8.563 1.799 49 HB3 LYS 11 2HB LYS 11 -5.151 -7.335 0.831 50 HG2 LYS 11 1HG LYS 11 -6.120 -7.101 2.921 51 HG3 LYS 11 2HG LYS 11 -7.292 -8.084 2.040 52 HD2 LYS 11 1HD LYS 11 -6.763 -10.002 3.214 53 HD3 LYS 11 2HD LYS 11 -5.152 -9.420 3.642 54 HE2 LYS 11 1HE LYS 11 -7.752 -8.355 4.742 55 HE3 LYS 11 2HE LYS 11 -6.671 -9.471 5.575 56 HZ1 LYS 11 3HZ LYS 11 -5.346 -7.811 6.190 57 HZ2 LYS 11 1HZ LYS 11 -6.582 -6.756 5.720 58 HZ3 LYS 11 2HZ LYS 11 -5.327 -7.120 4.646 59 HA PRO 12 HA PRO 12 -5.151 -8.725 -3.777 60 HB2 PRO 12 1HB PRO 12 -6.437 -6.427 -4.434 61 HB3 PRO 12 2HB PRO 12 -7.252 -7.993 -4.352 62 HG2 PRO 12 1HG PRO 12 -7.180 -5.787 -2.330 63 HG3 PRO 12 2HG PRO 12 -8.552 -6.781 -2.853 64 HD2 PRO 12 1HD PRO 12 -7.206 -7.252 -0.551 65 HD3 PRO 12 2HD PRO 12 -7.944 -8.552 -1.509 66 H PHE 13 H PHE 13 -4.855 -6.258 -1.327 67 HA PHE 13 HA PHE 13 -2.668 -5.008 -2.851 68 HB2 PHE 13 1HB PHE 13 -4.145 -3.816 -0.501 69 HB3 PHE 13 2HB PHE 13 -3.033 -2.996 -1.591 70 HD1 PHE 13 HD1 PHE 13 -3.709 -2.545 -3.930 71 HD2 PHE 13 HD2 PHE 13 -6.430 -4.090 -1.045 72 HE1 PHE 13 HE1 PHE 13 -5.597 -1.885 -5.363 73 HE2 PHE 13 HE2 PHE 13 -8.323 -3.434 -2.474 74 HZ PHE 13 HZ PHE 13 -7.908 -2.330 -4.636 75 H GLU 14 H GLU 14 -0.733 -5.705 -2.246 76 HA GLU 14 HA GLU 14 -0.212 -6.070 0.627 77 HB2 GLU 14 1HB GLU 14 -0.447 -8.264 -0.517 78 HB3 GLU 14 2HB GLU 14 0.878 -7.819 -1.584 79 HG2 GLU 14 1HG GLU 14 2.353 -7.634 0.388 80 HG3 GLU 14 2HG GLU 14 1.022 -8.196 1.398 81 H CYS 15 H CYS 15 1.563 -5.082 1.379 82 HA CYS 15 HA CYS 15 2.906 -3.131 -0.043 83 HB2 CYS 15 1HB CYS 15 2.832 -3.741 2.536 84 HB3 CYS 15 2HB CYS 15 4.358 -4.533 2.157 85 H SER 16 H SER 16 5.510 -3.232 -0.026 86 HA SER 16 HA SER 16 6.251 -5.635 -1.564 87 HB2 SER 16 1HB SER 16 7.169 -2.793 -2.065 88 HB3 SER 16 2HB SER 16 7.663 -4.216 -2.982 89 HG SER 16 HG SER 16 5.718 -4.324 -3.903 90 H GLU 17 H GLU 17 7.165 -3.247 0.798 91 HA GLU 17 HA GLU 17 9.860 -4.294 1.062 92 HB2 GLU 17 1HB GLU 17 8.335 -2.072 2.397 93 HB3 GLU 17 2HB GLU 17 9.881 -2.621 3.029 94 HG2 GLU 17 1HG GLU 17 9.306 -1.356 0.371 95 HG3 GLU 17 2HG GLU 17 10.345 -0.763 1.665 96 H CYS 18 H CYS 18 7.137 -3.819 3.323 97 HA CYS 18 HA CYS 18 8.209 -5.920 5.034 98 HB2 CYS 18 1HB CYS 18 6.493 -5.204 6.637 99 HB3 CYS 18 2HB CYS 18 7.458 -3.838 6.087 100 H GLN 19 H GLN 19 5.913 -5.543 2.564 101 HA GLN 19 HA GLN 19 4.382 -6.941 1.631 102 HB2 GLN 19 1HB GLN 19 5.906 -8.908 3.330 103 HB3 GLN 19 2HB GLN 19 4.572 -9.401 2.295 104 HG2 GLN 19 1HG GLN 19 7.012 -7.948 1.305 105 HG3 GLN 19 2HG GLN 19 6.839 -9.702 1.307 106 HE21 GLN 19 1HE2 GLN 19 7.328 -8.556 -1.039 107 HE22 GLN 19 2HE2 GLN 19 5.919 -8.537 -2.038 108 H LYS 20 H LYS 20 3.267 -5.397 3.447 109 HA LYS 20 HA LYS 20 1.830 -7.003 5.403 110 HB2 LYS 20 1HB LYS 20 2.772 -4.538 5.640 111 HB3 LYS 20 2HB LYS 20 1.217 -4.120 4.933 112 HG2 LYS 20 1HG LYS 20 0.648 -4.036 7.123 113 HG3 LYS 20 2HG LYS 20 0.338 -5.748 6.829 114 HD2 LYS 20 1HD LYS 20 3.071 -4.927 7.678 115 HD3 LYS 20 2HD LYS 20 1.785 -4.942 8.887 116 HE2 LYS 20 1HE LYS 20 1.318 -7.322 7.831 117 HE3 LYS 20 2HE LYS 20 3.018 -7.194 7.382 118 HZ1 LYS 20 3HZ LYS 20 1.929 -7.873 9.870 119 HZ2 LYS 20 1HZ LYS 20 2.759 -6.410 10.054 120 HZ3 LYS 20 2HZ LYS 20 3.560 -7.766 9.435 121 H ALA 21 H ALA 21 -0.499 -6.976 5.537 122 HA ALA 21 HA ALA 21 -1.719 -7.121 2.894 123 HB1 ALA 21 3HB ALA 21 -3.679 -8.027 4.340 124 HB2 ALA 21 1HB ALA 21 -2.251 -9.028 4.081 125 HB3 ALA 21 2HB ALA 21 -2.452 -8.155 5.600 126 H PHE 22 H PHE 22 -3.333 -5.825 2.176 127 HA PHE 22 HA PHE 22 -4.449 -3.832 4.017 128 HB2 PHE 22 1HB PHE 22 -3.179 -3.272 1.334 129 HB3 PHE 22 2HB PHE 22 -4.233 -2.128 2.159 130 HD1 PHE 22 HD1 PHE 22 -3.516 -1.029 4.210 131 HD2 PHE 22 HD2 PHE 22 -0.945 -3.688 2.103 132 HE1 PHE 22 HE1 PHE 22 -1.591 -0.168 5.477 133 HE2 PHE 22 HE2 PHE 22 0.983 -2.832 3.368 134 HZ PHE 22 HZ PHE 22 0.662 -1.070 5.058 135 H ASN 23 H ASN 23 -6.436 -2.839 3.239 136 HA ASN 23 HA ASN 23 -8.019 -4.758 1.712 137 HB2 ASN 23 1HB ASN 23 -8.770 -2.416 3.464 138 HB3 ASN 23 2HB ASN 23 -9.949 -3.320 2.518 139 HD21 ASN 23 1HD2 ASN 23 -9.697 -5.784 2.834 140 HD22 ASN 23 2HD2 ASN 23 -9.571 -6.302 4.477 141 H THR 24 H THR 24 -7.312 -1.277 1.752 142 HA THR 24 HA THR 24 -8.192 -1.156 -1.060 143 HB THR 24 HB THR 24 -8.671 1.240 -0.703 144 HG1 THR 24 HG1 THR 24 -8.870 1.581 1.809 145 HG21 THR 24 3HG2 THR 24 -10.262 -0.838 -0.093 146 HG22 THR 24 1HG2 THR 24 -10.777 0.843 0.045 147 HG23 THR 24 2HG2 THR 24 -10.221 -0.029 1.474 148 H LYS 25 H LYS 25 -6.941 0.004 -2.526 149 HA LYS 25 HA LYS 25 -4.174 -0.101 -2.215 150 HB2 LYS 25 1HB LYS 25 -5.270 -0.047 -4.403 151 HB3 LYS 25 2HB LYS 25 -5.797 1.605 -4.112 152 HG2 LYS 25 1HG LYS 25 -3.912 1.685 -5.556 153 HG3 LYS 25 2HG LYS 25 -3.397 2.268 -3.971 154 HD2 LYS 25 1HD LYS 25 -1.670 0.842 -4.491 155 HD3 LYS 25 2HD LYS 25 -2.742 -0.246 -3.605 156 HE2 LYS 25 1HE LYS 25 -3.625 -1.123 -5.672 157 HE3 LYS 25 2HE LYS 25 -2.692 0.045 -6.606 158 HZ1 LYS 25 3HZ LYS 25 -1.159 -1.640 -4.809 159 HZ2 LYS 25 1HZ LYS 25 -0.818 -1.150 -6.392 160 HZ3 LYS 25 2HZ LYS 25 -1.878 -2.439 -6.116 161 H SER 26 H SER 26 -6.269 2.787 -2.212 162 HA SER 26 HA SER 26 -4.514 4.781 -1.761 163 HB2 SER 26 1HB SER 26 -7.191 4.344 -0.428 164 HB3 SER 26 2HB SER 26 -6.285 5.852 -0.300 165 HG SER 26 HG SER 26 -6.799 6.336 -2.293 166 H ASN 27 H ASN 27 -5.796 2.632 0.764 167 HA ASN 27 HA ASN 27 -4.428 3.774 2.926 168 HB2 ASN 27 1HB ASN 27 -5.576 1.041 2.422 169 HB3 ASN 27 2HB ASN 27 -4.700 1.388 3.909 170 HD21 ASN 27 1HD2 ASN 27 -6.679 0.931 5.004 171 HD22 ASN 27 2HD2 ASN 27 -7.912 2.136 5.111 172 H LEU 28 H LEU 28 -3.528 1.100 0.774 173 HA LEU 28 HA LEU 28 -1.133 0.386 2.023 174 HB2 LEU 28 1HB LEU 28 -1.953 -1.100 0.420 175 HB3 LEU 28 2HB LEU 28 -2.132 0.166 -0.793 176 HG LEU 28 HG LEU 28 0.337 0.275 -0.980 177 HD11 LEU 28 1HD1 LEU 28 1.659 -1.565 -0.021 178 HD12 LEU 28 2HD1 LEU 28 0.235 -2.105 0.867 179 HD13 LEU 28 3HD1 LEU 28 0.947 -0.530 1.217 180 HD21 LEU 28 3HD2 LEU 28 -0.118 -1.052 -2.704 181 HD22 LEU 28 1HD2 LEU 28 -1.403 -1.869 -1.815 182 HD23 LEU 28 2HD2 LEU 28 0.264 -2.425 -1.664 183 H ILE 29 H ILE 29 -1.611 2.523 -0.793 184 HA ILE 29 HA ILE 29 0.973 3.322 -1.227 185 HB ILE 29 HB ILE 29 -1.506 5.037 -1.407 186 HG12 ILE 29 1HG1 ILE 29 -0.067 3.676 -3.673 187 HG13 ILE 29 2HG1 ILE 29 -1.307 2.838 -2.746 188 HG21 ILE 29 1HG2 ILE 29 1.256 5.448 -2.539 189 HG22 ILE 29 2HG2 ILE 29 -0.168 6.362 -3.035 190 HG23 ILE 29 3HG2 ILE 29 0.414 6.470 -1.374 191 HD11 ILE 29 3HD1 ILE 29 -1.692 5.407 -4.266 192 HD12 ILE 29 1HD1 ILE 29 -2.195 3.803 -4.799 193 HD13 ILE 29 2HD1 ILE 29 -2.933 4.530 -3.371 194 H VAL 30 H VAL 30 -1.362 4.900 0.955 195 HA VAL 30 HA VAL 30 0.283 6.905 1.936 196 HB VAL 30 HB VAL 30 -1.905 5.402 3.376 197 HG11 VAL 30 1HG1 VAL 30 -2.005 7.339 4.878 198 HG12 VAL 30 2HG1 VAL 30 -0.448 6.514 4.978 199 HG13 VAL 30 3HG1 VAL 30 -0.591 8.025 4.079 200 HG21 VAL 30 3HG2 VAL 30 -3.316 7.272 2.742 201 HG22 VAL 30 1HG2 VAL 30 -1.954 8.056 1.943 202 HG23 VAL 30 2HG2 VAL 30 -2.597 6.542 1.306 203 H HIS 31 H HIS 31 0.375 3.516 2.531 204 HA HIS 31 HA HIS 31 1.993 3.797 4.936 205 HB2 HIS 31 1HB HIS 31 0.493 1.996 5.113 206 HB3 HIS 31 2HB HIS 31 0.811 1.452 3.469 207 HD1 HIS 31 HD1 HIS 31 2.544 1.614 6.839 208 HD2 HIS 31 HD2 HIS 31 2.681 -0.518 3.275 209 HE1 HIS 31 HE1 HIS 31 4.192 -0.245 7.230 210 H GLN 32 H GLN 32 2.330 2.245 1.742 211 HA GLN 32 HA GLN 32 4.903 1.416 1.790 212 HB2 GLN 32 1HB GLN 32 3.241 2.625 -0.377 213 HB3 GLN 32 2HB GLN 32 4.942 2.309 -0.694 214 HG2 GLN 32 1HG GLN 32 4.540 -0.055 0.026 215 HG3 GLN 32 2HG GLN 32 2.819 0.323 0.063 216 HE21 GLN 32 1HE2 GLN 32 4.550 -1.479 -1.627 217 HE22 GLN 32 2HE2 GLN 32 4.115 -1.084 -3.251 218 H ARG 33 H ARG 33 3.813 4.746 1.357 219 HA ARG 33 HA ARG 33 6.273 5.917 0.741 220 HB2 ARG 33 1HB ARG 33 5.265 8.019 1.586 221 HB3 ARG 33 2HB ARG 33 4.208 7.147 0.485 222 HG2 ARG 33 1HG ARG 33 2.927 6.290 2.367 223 HG3 ARG 33 2HG ARG 33 4.003 7.126 3.489 224 HD2 ARG 33 1HD ARG 33 2.110 8.511 3.278 225 HD3 ARG 33 2HD ARG 33 3.360 9.264 2.288 226 HE ARG 33 HE ARG 33 1.917 7.601 0.611 227 HH11 ARG 33 1HH1 ARG 33 1.322 10.406 2.586 228 HH12 ARG 33 2HH1 ARG 33 0.049 11.008 1.577 229 HH21 ARG 33 1HH2 ARG 33 0.243 8.383 -0.725 230 HH22 ARG 33 2HH2 ARG 33 -0.565 9.856 -0.306 231 H THR 34 H THR 34 4.805 5.131 3.849 232 HA THR 34 HA THR 34 6.389 6.465 5.626 233 HB THR 34 HB THR 34 5.960 4.741 7.245 234 HG1 THR 34 HG1 THR 34 6.518 2.901 6.056 235 HG21 THR 34 3HG2 THR 34 3.448 4.168 6.269 236 HG22 THR 34 1HG2 THR 34 3.877 5.650 5.416 237 HG23 THR 34 2HG2 THR 34 3.895 5.610 7.180 238 H HIS 35 H HIS 35 7.212 3.576 3.788 239 HA HIS 35 HA HIS 35 9.620 2.958 5.112 240 HB2 HIS 35 1HB HIS 35 8.700 2.393 2.290 241 HB3 HIS 35 2HB HIS 35 10.180 1.736 2.982 242 HD1 HIS 35 HD1 HIS 35 9.615 0.425 5.424 243 HD2 HIS 35 HD2 HIS 35 6.647 0.667 2.527 244 HE1 HIS 35 HE1 HIS 35 7.978 -1.400 5.985 245 H THR 36 H THR 36 9.073 4.708 2.053 246 HA THR 36 HA THR 36 11.827 5.611 2.016 247 HB THR 36 HB THR 36 10.767 4.987 -0.100 248 HG1 THR 36 HG1 THR 36 12.379 6.623 -0.137 249 HG21 THR 36 3HG2 THR 36 8.762 5.725 -0.792 250 HG22 THR 36 1HG2 THR 36 9.108 7.388 -0.317 251 HG23 THR 36 2HG2 THR 36 8.529 6.230 0.881 252 H GLY 37 H GLY 37 12.548 7.529 2.709 253 HA2 GLY 37 1HA GLY 37 10.549 9.621 3.306 254 HA3 GLY 37 2HA GLY 37 11.837 9.228 4.435 255 H GLU 38 H GLU 38 10.917 11.124 1.784 256 HA GLU 38 HA GLU 38 13.635 12.225 1.629 257 HB2 GLU 38 1HB GLU 38 13.366 10.842 -0.346 258 HB3 GLU 38 2HB GLU 38 11.831 11.614 -0.717 259 HG2 GLU 38 1HG GLU 38 13.123 13.780 -0.912 260 HG3 GLU 38 2HG GLU 38 14.585 12.795 -0.871 261 H LYS 39 H LYS 39 13.760 14.415 1.540 262 HA LYS 39 HA LYS 39 11.346 15.977 1.046 263 HB2 LYS 39 1HB LYS 39 11.477 15.478 3.513 264 HB3 LYS 39 2HB LYS 39 12.983 16.386 3.552 265 HG2 LYS 39 1HG LYS 39 11.807 18.387 2.809 266 HG3 LYS 39 2HG LYS 39 10.294 17.479 2.743 267 HD2 LYS 39 1HD LYS 39 11.926 17.696 5.260 268 HD3 LYS 39 2HD LYS 39 10.710 18.898 4.822 269 HE2 LYS 39 1HE LYS 39 10.041 15.977 4.890 270 HE3 LYS 39 2HE LYS 39 10.033 16.942 6.366 271 HZ1 LYS 39 3HZ LYS 39 8.556 18.510 4.931 272 HZ2 LYS 39 1HZ LYS 39 7.877 17.151 5.675 273 HZ3 LYS 39 2HZ LYS 39 8.264 17.109 4.029 274 HA PRO 40 HA PRO 40 14.331 18.466 -1.059 275 HB2 PRO 40 1HB PRO 40 12.744 20.621 -1.516 276 HB3 PRO 40 2HB PRO 40 12.595 19.109 -2.420 277 HG2 PRO 40 1HG PRO 40 10.975 20.100 -0.106 278 HG3 PRO 40 2HG PRO 40 10.430 19.302 -1.593 279 HD2 PRO 40 1HD PRO 40 10.688 17.983 0.757 280 HD3 PRO 40 2HD PRO 40 10.968 17.201 -0.812 281 H SER 41 H SER 41 15.237 20.707 -0.932 282 HA SER 41 HA SER 41 16.429 21.341 1.364 283 HB2 SER 41 1HB SER 41 15.297 23.313 -0.632 284 HB3 SER 41 2HB SER 41 16.445 23.748 0.634 285 HG SER 41 HG SER 41 17.948 23.070 -0.649 286 H GLY 42 H GLY 42 13.351 22.905 0.442 287 HA2 GLY 42 1HA GLY 42 11.555 23.515 1.760 288 HA3 GLY 42 2HA GLY 42 12.309 22.670 3.103 289 HA PRO 43 HA PRO 43 13.747 27.331 2.887 290 HB2 PRO 43 1HB PRO 43 11.707 28.965 2.154 291 HB3 PRO 43 2HB PRO 43 12.878 28.313 1.001 292 HG2 PRO 43 1HG PRO 43 10.107 27.367 1.627 293 HG3 PRO 43 2HG PRO 43 10.900 27.543 0.051 294 HD2 PRO 43 1HD PRO 43 10.658 25.154 1.302 295 HD3 PRO 43 2HD PRO 43 12.041 25.551 0.263 296 H SER 44 H SER 44 11.269 25.617 4.229 297 HA SER 44 HA SER 44 10.083 27.561 5.937 298 HB2 SER 44 1HB SER 44 10.236 24.568 6.359 299 HB3 SER 44 2HB SER 44 9.079 25.682 7.089 300 HG SER 44 HG SER 44 9.261 25.568 4.297 301 H SER 45 H SER 45 10.197 27.253 8.390 302 HA SER 45 HA SER 45 12.999 27.458 9.148 303 HB2 SER 45 1HB SER 45 11.439 29.212 9.885 304 HB3 SER 45 2HB SER 45 10.489 28.006 10.752 305 HG SER 45 HG SER 45 11.841 28.168 12.339 306 H GLY 46 H GLY 46 14.087 25.850 10.062 307 HA2 GLY 46 1HA GLY 46 12.688 23.438 10.862 308 HA3 GLY 46 2HA GLY 46 14.430 23.653 10.762 Start of MODEL 20 1 H1 GLY 1 H GLY 1 1.485 -9.780 9.669 2 HA2 GLY 1 1HA GLY 1 0.468 -8.658 12.123 3 HA3 GLY 1 2HA GLY 1 -0.791 -9.256 11.054 4 H SER 2 H SER 2 2.345 -10.310 12.382 5 HA SER 2 HA SER 2 1.519 -13.080 12.279 6 HB2 SER 2 1HB SER 2 4.039 -11.688 13.175 7 HB3 SER 2 2HB SER 2 3.793 -13.417 13.420 8 HG SER 2 HG SER 2 3.930 -11.990 10.981 9 H SER 3 H SER 3 -0.301 -12.950 13.704 10 HA SER 3 HA SER 3 0.455 -12.786 16.549 11 HB2 SER 3 1HB SER 3 -2.274 -12.252 15.350 12 HB3 SER 3 2HB SER 3 -1.821 -12.077 17.046 13 HG SER 3 HG SER 3 -1.818 -10.135 15.565 14 H GLY 4 H GLY 4 -1.229 -14.044 17.939 15 HA2 GLY 4 1HA GLY 4 -1.093 -16.784 17.062 16 HA3 GLY 4 2HA GLY 4 -1.710 -16.210 18.604 17 H SER 5 H SER 5 -2.501 -16.691 15.206 18 HA SER 5 HA SER 5 -5.145 -17.525 15.811 19 HB2 SER 5 1HB SER 5 -5.162 -14.914 15.971 20 HB3 SER 5 2HB SER 5 -5.125 -14.986 14.209 21 HG SER 5 HG SER 5 -7.107 -15.762 14.181 22 H SER 6 H SER 6 -6.472 -17.609 13.647 23 HA SER 6 HA SER 6 -4.620 -18.408 11.497 24 HB2 SER 6 1HB SER 6 -6.282 -20.167 10.899 25 HB3 SER 6 2HB SER 6 -5.585 -20.396 12.502 26 HG SER 6 HG SER 6 -8.084 -19.157 11.974 27 H GLY 7 H GLY 7 -4.957 -17.535 9.547 28 HA2 GLY 7 1HA GLY 7 -7.197 -17.015 8.157 29 HA3 GLY 7 2HA GLY 7 -7.128 -15.635 9.244 30 H THR 8 H THR 8 -5.317 -17.377 6.756 31 HA THR 8 HA THR 8 -3.149 -15.810 6.338 32 HB THR 8 HB THR 8 -3.310 -16.326 3.917 33 HG1 THR 8 HG1 THR 8 -5.151 -16.999 3.059 34 HG21 THR 8 3HG2 THR 8 -2.547 -17.989 5.691 35 HG22 THR 8 1HG2 THR 8 -3.032 -18.659 4.134 36 HG23 THR 8 2HG2 THR 8 -4.131 -18.743 5.512 37 H GLY 9 H GLY 9 -2.665 -14.047 4.880 38 HA2 GLY 9 1HA GLY 9 -4.218 -11.777 5.287 39 HA3 GLY 9 2HA GLY 9 -2.987 -11.935 4.042 40 H GLU 10 H GLU 10 -3.813 -13.446 2.158 41 HA GLU 10 HA GLU 10 -5.111 -13.426 0.278 42 HB2 GLU 10 1HB GLU 10 -6.362 -14.969 1.770 43 HB3 GLU 10 2HB GLU 10 -7.338 -13.612 2.314 44 HG2 GLU 10 1HG GLU 10 -8.731 -14.396 0.725 45 HG3 GLU 10 2HG GLU 10 -7.737 -13.365 -0.303 46 H LYS 11 H LYS 11 -4.339 -10.950 0.607 47 HA LYS 11 HA LYS 11 -6.768 -9.307 0.314 48 HB2 LYS 11 1HB LYS 11 -4.059 -8.607 1.434 49 HB3 LYS 11 2HB LYS 11 -5.210 -7.378 0.927 50 HG2 LYS 11 1HG LYS 11 -5.852 -9.494 2.962 51 HG3 LYS 11 2HG LYS 11 -5.193 -7.910 3.378 52 HD2 LYS 11 1HD LYS 11 -7.195 -7.039 1.927 53 HD3 LYS 11 2HD LYS 11 -7.876 -8.628 2.282 54 HE2 LYS 11 1HE LYS 11 -7.378 -8.125 4.723 55 HE3 LYS 11 2HE LYS 11 -7.085 -6.463 4.214 56 HZ1 LYS 11 3HZ LYS 11 -9.584 -7.910 4.457 57 HZ2 LYS 11 1HZ LYS 11 -9.450 -6.937 3.079 58 HZ3 LYS 11 2HZ LYS 11 -9.270 -6.255 4.616 59 HA PRO 12 HA PRO 12 -5.536 -8.521 -3.838 60 HB2 PRO 12 1HB PRO 12 -6.842 -6.176 -4.243 61 HB3 PRO 12 2HB PRO 12 -7.670 -7.736 -4.165 62 HG2 PRO 12 1HG PRO 12 -7.366 -5.644 -2.045 63 HG3 PRO 12 2HG PRO 12 -8.799 -6.593 -2.484 64 HD2 PRO 12 1HD PRO 12 -7.244 -7.203 -0.353 65 HD3 PRO 12 2HD PRO 12 -8.092 -8.441 -1.302 66 H PHE 13 H PHE 13 -4.901 -6.265 -1.274 67 HA PHE 13 HA PHE 13 -2.771 -5.049 -2.907 68 HB2 PHE 13 1HB PHE 13 -4.226 -3.684 -0.639 69 HB3 PHE 13 2HB PHE 13 -3.079 -2.960 -1.762 70 HD1 PHE 13 HD1 PHE 13 -3.725 -2.744 -4.180 71 HD2 PHE 13 HD2 PHE 13 -6.512 -3.787 -1.137 72 HE1 PHE 13 HE1 PHE 13 -5.580 -2.104 -5.665 73 HE2 PHE 13 HE2 PHE 13 -8.371 -3.150 -2.617 74 HZ PHE 13 HZ PHE 13 -7.907 -2.308 -4.884 75 H GLU 14 H GLU 14 -0.787 -5.439 -2.197 76 HA GLU 14 HA GLU 14 -0.325 -5.770 0.676 77 HB2 GLU 14 1HB GLU 14 -0.591 -8.009 -0.585 78 HB3 GLU 14 2HB GLU 14 0.975 -7.635 -1.291 79 HG2 GLU 14 1HG GLU 14 1.676 -7.297 1.209 80 HG3 GLU 14 2HG GLU 14 0.275 -8.322 1.517 81 H CYS 15 H CYS 15 1.733 -5.193 1.381 82 HA CYS 15 HA CYS 15 3.066 -3.242 -0.205 83 HB2 CYS 15 1HB CYS 15 2.859 -3.524 2.417 84 HB3 CYS 15 2HB CYS 15 4.356 -4.428 2.215 85 H SER 16 H SER 16 5.601 -3.364 -0.234 86 HA SER 16 HA SER 16 6.341 -5.989 -1.354 87 HB2 SER 16 1HB SER 16 7.859 -4.761 -2.887 88 HB3 SER 16 2HB SER 16 6.168 -4.320 -3.123 89 HG SER 16 HG SER 16 6.942 -2.621 -1.386 90 H GLU 17 H GLU 17 7.309 -3.258 0.603 91 HA GLU 17 HA GLU 17 9.974 -4.250 1.065 92 HB2 GLU 17 1HB GLU 17 8.360 -1.957 2.136 93 HB3 GLU 17 2HB GLU 17 9.874 -2.414 2.902 94 HG2 GLU 17 1HG GLU 17 9.764 -1.914 -0.040 95 HG3 GLU 17 2HG GLU 17 9.864 -0.570 1.095 96 H CYS 18 H CYS 18 7.053 -3.861 3.069 97 HA CYS 18 HA CYS 18 8.202 -5.712 5.031 98 HB2 CYS 18 1HB CYS 18 6.579 -4.884 6.589 99 HB3 CYS 18 2HB CYS 18 7.297 -3.493 5.784 100 H GLN 19 H GLN 19 5.955 -5.586 2.490 101 HA GLN 19 HA GLN 19 4.488 -7.095 1.630 102 HB2 GLN 19 1HB GLN 19 5.792 -9.000 3.582 103 HB3 GLN 19 2HB GLN 19 4.777 -9.459 2.222 104 HG2 GLN 19 1HG GLN 19 7.183 -7.803 1.689 105 HG3 GLN 19 2HG GLN 19 7.400 -9.511 2.068 106 HE21 GLN 19 1HE2 GLN 19 7.314 -7.513 -0.410 107 HE22 GLN 19 2HE2 GLN 19 6.597 -8.511 -1.624 108 H LYS 20 H LYS 20 3.512 -5.417 3.602 109 HA LYS 20 HA LYS 20 1.965 -6.975 5.486 110 HB2 LYS 20 1HB LYS 20 2.713 -4.880 6.309 111 HB3 LYS 20 2HB LYS 20 2.152 -4.030 4.875 112 HG2 LYS 20 1HG LYS 20 -0.051 -4.063 5.553 113 HG3 LYS 20 2HG LYS 20 0.189 -5.448 6.621 114 HD2 LYS 20 1HD LYS 20 1.770 -3.803 7.903 115 HD3 LYS 20 2HD LYS 20 0.828 -2.564 7.070 116 HE2 LYS 20 1HE LYS 20 -0.162 -2.970 9.220 117 HE3 LYS 20 2HE LYS 20 -1.236 -3.605 7.975 118 HZ1 LYS 20 3HZ LYS 20 -1.146 -5.573 8.952 119 HZ2 LYS 20 1HZ LYS 20 -0.116 -4.961 10.148 120 HZ3 LYS 20 2HZ LYS 20 0.531 -5.637 8.739 121 H ALA 21 H ALA 21 -0.344 -6.972 5.577 122 HA ALA 21 HA ALA 21 -1.547 -7.074 2.927 123 HB1 ALA 21 3HB ALA 21 -2.245 -8.956 3.977 124 HB2 ALA 21 1HB ALA 21 -2.170 -8.224 5.580 125 HB3 ALA 21 2HB ALA 21 -3.536 -7.882 4.517 126 H PHE 22 H PHE 22 -3.290 -5.862 2.264 127 HA PHE 22 HA PHE 22 -4.311 -3.806 4.085 128 HB2 PHE 22 1HB PHE 22 -3.178 -3.291 1.330 129 HB3 PHE 22 2HB PHE 22 -4.139 -2.123 2.231 130 HD1 PHE 22 HD2 PHE 22 -0.977 -4.033 2.252 131 HD2 PHE 22 HD1 PHE 22 -3.175 -0.785 3.906 132 HE1 PHE 22 HE2 PHE 22 1.060 -3.232 3.375 133 HE2 PHE 22 HE1 PHE 22 -1.141 0.023 5.031 134 HZ PHE 22 HZ PHE 22 0.980 -1.201 4.767 135 H ASN 23 H ASN 23 -6.314 -2.808 3.329 136 HA ASN 23 HA ASN 23 -7.984 -4.776 1.986 137 HB2 ASN 23 1HB ASN 23 -8.876 -3.891 4.035 138 HB3 ASN 23 2HB ASN 23 -8.632 -2.235 3.488 139 HD21 ASN 23 1HD2 ASN 23 -10.749 -1.631 3.679 140 HD22 ASN 23 2HD2 ASN 23 -12.002 -2.239 2.657 141 H THR 24 H THR 24 -7.146 -1.339 1.666 142 HA THR 24 HA THR 24 -8.025 -1.481 -1.145 143 HB THR 24 HB THR 24 -8.460 0.997 -0.965 144 HG1 THR 24 HG1 THR 24 -8.873 1.663 1.289 145 HG21 THR 24 3HG2 THR 24 -10.185 -0.578 0.931 146 HG22 THR 24 1HG2 THR 24 -10.208 -0.854 -0.810 147 HG23 THR 24 2HG2 THR 24 -10.660 0.722 -0.161 148 H LYS 25 H LYS 25 -6.938 0.131 -2.564 149 HA LYS 25 HA LYS 25 -4.102 -0.046 -2.228 150 HB2 LYS 25 1HB LYS 25 -5.285 -0.188 -4.432 151 HB3 LYS 25 2HB LYS 25 -5.644 1.529 -4.297 152 HG2 LYS 25 1HG LYS 25 -3.763 1.372 -5.692 153 HG3 LYS 25 2HG LYS 25 -3.151 1.904 -4.125 154 HD2 LYS 25 1HD LYS 25 -2.369 -0.296 -3.607 155 HD3 LYS 25 2HD LYS 25 -3.171 -0.973 -5.026 156 HE2 LYS 25 1HE LYS 25 -1.007 -0.800 -5.780 157 HE3 LYS 25 2HE LYS 25 -1.676 0.740 -6.318 158 HZ1 LYS 25 3HZ LYS 25 -0.809 1.596 -4.073 159 HZ2 LYS 25 1HZ LYS 25 0.304 1.337 -5.321 160 HZ3 LYS 25 2HZ LYS 25 0.156 0.207 -4.072 161 H SER 26 H SER 26 -6.486 2.561 -2.080 162 HA SER 26 HA SER 26 -4.827 4.757 -1.902 163 HB2 SER 26 1HB SER 26 -6.680 5.752 -0.456 164 HB3 SER 26 2HB SER 26 -7.168 5.140 -2.036 165 HG SER 26 HG SER 26 -7.453 3.832 0.466 166 H ASN 27 H ASN 27 -5.796 2.514 0.653 167 HA ASN 27 HA ASN 27 -4.498 3.930 2.754 168 HB2 ASN 27 1HB ASN 27 -5.823 1.290 2.440 169 HB3 ASN 27 2HB ASN 27 -4.671 1.445 3.763 170 HD21 ASN 27 1HD2 ASN 27 -7.673 2.596 2.423 171 HD22 ASN 27 2HD2 ASN 27 -8.257 3.349 3.864 172 H LEU 28 H LEU 28 -3.597 1.170 0.727 173 HA LEU 28 HA LEU 28 -1.181 0.534 1.990 174 HB2 LEU 28 1HB LEU 28 -2.092 -1.012 0.450 175 HB3 LEU 28 2HB LEU 28 -2.140 0.191 -0.838 176 HG LEU 28 HG LEU 28 0.353 0.164 -0.864 177 HD11 LEU 28 1HD1 LEU 28 1.394 -0.727 0.884 178 HD12 LEU 28 2HD1 LEU 28 0.919 -2.308 0.264 179 HD13 LEU 28 3HD1 LEU 28 -0.086 -1.494 1.462 180 HD21 LEU 28 3HD2 LEU 28 -1.484 -1.760 -1.861 181 HD22 LEU 28 1HD2 LEU 28 0.011 -2.592 -1.434 182 HD23 LEU 28 2HD2 LEU 28 0.049 -1.234 -2.558 183 H ILE 29 H ILE 29 -1.797 2.629 -0.821 184 HA ILE 29 HA ILE 29 0.790 3.396 -1.393 185 HB ILE 29 HB ILE 29 -1.682 5.125 -1.541 186 HG12 ILE 29 1HG1 ILE 29 -0.385 3.522 -3.746 187 HG13 ILE 29 2HG1 ILE 29 -1.705 2.897 -2.764 188 HG21 ILE 29 1HG2 ILE 29 0.754 6.117 -1.707 189 HG22 ILE 29 2HG2 ILE 29 0.658 5.468 -3.344 190 HG23 ILE 29 3HG2 ILE 29 -0.528 6.651 -2.794 191 HD11 ILE 29 3HD1 ILE 29 -3.250 4.251 -3.736 192 HD12 ILE 29 1HD1 ILE 29 -2.080 5.520 -4.094 193 HD13 ILE 29 2HD1 ILE 29 -2.129 4.061 -5.084 194 H VAL 30 H VAL 30 -1.432 4.763 1.002 195 HA VAL 30 HA VAL 30 0.234 6.894 1.815 196 HB VAL 30 HB VAL 30 -1.935 5.459 3.354 197 HG11 VAL 30 1HG1 VAL 30 -0.072 7.521 4.144 198 HG12 VAL 30 2HG1 VAL 30 -1.741 8.083 4.254 199 HG13 VAL 30 3HG1 VAL 30 -1.240 6.628 5.116 200 HG21 VAL 30 3HG2 VAL 30 -3.369 6.530 2.041 201 HG22 VAL 30 1HG2 VAL 30 -2.669 8.072 2.533 202 HG23 VAL 30 2HG2 VAL 30 -2.030 7.222 1.126 203 H HIS 31 H HIS 31 0.221 3.515 2.549 204 HA HIS 31 HA HIS 31 1.857 3.799 4.923 205 HB2 HIS 31 1HB HIS 31 0.439 1.963 5.113 206 HB3 HIS 31 2HB HIS 31 0.664 1.487 3.433 207 HD1 HIS 31 HD1 HIS 31 2.270 1.233 6.811 208 HD2 HIS 31 HD2 HIS 31 2.828 -0.197 2.950 209 HE1 HIS 31 HE1 HIS 31 4.010 -0.572 7.007 210 H GLN 32 H GLN 32 2.264 2.317 1.704 211 HA GLN 32 HA GLN 32 4.792 1.452 1.706 212 HB2 GLN 32 1HB GLN 32 3.496 3.160 -0.419 213 HB3 GLN 32 2HB GLN 32 5.010 2.297 -0.656 214 HG2 GLN 32 1HG GLN 32 3.929 0.186 -0.377 215 HG3 GLN 32 2HG GLN 32 2.423 0.966 0.103 216 HE21 GLN 32 1HE2 GLN 32 2.107 -0.755 -1.810 217 HE22 GLN 32 2HE2 GLN 32 1.940 -0.013 -3.360 218 H ARG 33 H ARG 33 3.902 4.875 1.368 219 HA ARG 33 HA ARG 33 6.363 6.018 0.997 220 HB2 ARG 33 1HB ARG 33 4.546 7.330 2.961 221 HB3 ARG 33 2HB ARG 33 5.403 8.021 1.590 222 HG2 ARG 33 1HG ARG 33 3.747 6.544 0.200 223 HG3 ARG 33 2HG ARG 33 2.782 6.616 1.676 224 HD2 ARG 33 1HD ARG 33 2.099 8.405 0.237 225 HD3 ARG 33 2HD ARG 33 2.971 9.093 1.606 226 HE ARG 33 HE ARG 33 4.566 8.595 -0.756 227 HH11 ARG 33 1HH1 ARG 33 2.643 10.875 1.038 228 HH12 ARG 33 2HH1 ARG 33 3.359 12.265 0.290 229 HH21 ARG 33 1HH2 ARG 33 5.516 10.416 -1.748 230 HH22 ARG 33 2HH2 ARG 33 4.992 12.003 -1.295 231 H THR 34 H THR 34 4.887 5.076 4.083 232 HA THR 34 HA THR 34 6.633 6.039 5.918 233 HB THR 34 HB THR 34 4.616 4.473 6.273 234 HG1 THR 34 HG1 THR 34 6.989 4.216 7.835 235 HG21 THR 34 3HG2 THR 34 6.640 2.303 6.559 236 HG22 THR 34 1HG2 THR 34 5.971 2.628 4.961 237 HG23 THR 34 2HG2 THR 34 4.900 2.193 6.293 238 H HIS 35 H HIS 35 7.309 3.674 3.499 239 HA HIS 35 HA HIS 35 9.696 2.664 4.765 240 HB2 HIS 35 1HB HIS 35 8.469 2.283 2.038 241 HB3 HIS 35 2HB HIS 35 10.042 1.611 2.458 242 HD1 HIS 35 HD1 HIS 35 9.970 -0.041 4.643 243 HD2 HIS 35 HD2 HIS 35 6.380 0.680 2.679 244 HE1 HIS 35 HE1 HIS 35 8.423 -1.886 5.370 245 H THR 36 H THR 36 9.906 5.365 4.735 246 HA THR 36 HA THR 36 12.372 5.796 3.448 247 HB THR 36 HB THR 36 10.796 5.934 1.462 248 HG1 THR 36 HG1 THR 36 11.856 7.921 0.734 249 HG21 THR 36 3HG2 THR 36 9.126 7.432 1.366 250 HG22 THR 36 1HG2 THR 36 10.109 8.708 2.084 251 HG23 THR 36 2HG2 THR 36 9.298 7.531 3.118 252 H GLY 37 H GLY 37 13.407 7.562 4.281 253 HA2 GLY 37 1HA GLY 37 12.803 9.962 5.084 254 HA3 GLY 37 2HA GLY 37 11.903 9.070 6.302 255 H GLU 38 H GLU 38 13.594 7.030 6.941 256 HA GLU 38 HA GLU 38 15.580 8.428 8.493 257 HB2 GLU 38 1HB GLU 38 15.955 6.322 9.597 258 HB3 GLU 38 2HB GLU 38 14.223 6.558 9.417 259 HG2 GLU 38 1HG GLU 38 14.373 5.118 7.347 260 HG3 GLU 38 2HG GLU 38 16.012 4.720 7.860 261 H LYS 39 H LYS 39 17.778 7.151 8.711 262 HA LYS 39 HA LYS 39 19.416 7.720 6.657 263 HB2 LYS 39 1HB LYS 39 19.572 5.391 8.567 264 HB3 LYS 39 2HB LYS 39 20.871 5.781 7.447 265 HG2 LYS 39 1HG LYS 39 19.842 7.928 9.227 266 HG3 LYS 39 2HG LYS 39 20.875 6.674 9.916 267 HD2 LYS 39 1HD LYS 39 22.492 8.143 9.276 268 HD3 LYS 39 2HD LYS 39 22.333 7.246 7.764 269 HE2 LYS 39 1HE LYS 39 20.993 8.935 6.794 270 HE3 LYS 39 2HE LYS 39 20.745 9.733 8.347 271 HZ1 LYS 39 3HZ LYS 39 23.066 9.810 6.567 272 HZ2 LYS 39 1HZ LYS 39 23.347 9.911 8.232 273 HZ3 LYS 39 2HZ LYS 39 22.357 11.051 7.472 274 HA PRO 40 HA PRO 40 18.176 5.147 3.274 275 HB2 PRO 40 1HB PRO 40 20.291 5.676 1.657 276 HB3 PRO 40 2HB PRO 40 18.973 6.824 1.920 277 HG2 PRO 40 1HG PRO 40 21.685 6.733 3.183 278 HG3 PRO 40 2HG PRO 40 20.784 8.131 2.569 279 HD2 PRO 40 1HD PRO 40 20.905 7.519 5.203 280 HD3 PRO 40 2HD PRO 40 19.484 8.284 4.466 281 H SER 41 H SER 41 18.876 3.254 2.144 282 HA SER 41 HA SER 41 21.083 1.835 3.488 283 HB2 SER 41 1HB SER 41 19.842 -0.255 3.081 284 HB3 SER 41 2HB SER 41 18.897 0.871 4.054 285 HG SER 41 HG SER 41 17.625 -0.024 2.406 286 H GLY 42 H GLY 42 21.793 -0.131 2.065 287 HA2 GLY 42 1HA GLY 42 21.927 0.709 -0.758 288 HA3 GLY 42 2HA GLY 42 23.396 0.316 0.121 289 HA PRO 43 HA PRO 43 20.770 -3.723 -0.630 290 HB2 PRO 43 1HB PRO 43 19.251 -3.606 -2.877 291 HB3 PRO 43 2HB PRO 43 18.635 -3.173 -1.278 292 HG2 PRO 43 1HG PRO 43 19.620 -1.394 -3.475 293 HG3 PRO 43 2HG PRO 43 18.202 -1.199 -2.428 294 HD2 PRO 43 1HD PRO 43 20.522 0.131 -2.001 295 HD3 PRO 43 2HD PRO 43 19.452 -0.371 -0.677 296 H SER 44 H SER 44 22.269 -5.082 -1.361 297 HA SER 44 HA SER 44 24.017 -4.448 -3.517 298 HB2 SER 44 1HB SER 44 23.605 -6.873 -1.789 299 HB3 SER 44 2HB SER 44 24.683 -6.940 -3.183 300 HG SER 44 HG SER 44 25.358 -6.150 -0.852 301 H SER 45 H SER 45 21.434 -6.864 -3.123 302 HA SER 45 HA SER 45 21.372 -7.152 -6.055 303 HB2 SER 45 1HB SER 45 21.930 -9.220 -4.759 304 HB3 SER 45 2HB SER 45 20.343 -9.119 -3.997 305 HG SER 45 HG SER 45 19.397 -9.674 -5.844 306 H GLY 46 H GLY 46 19.115 -7.876 -6.837 307 HA2 GLY 46 1HA GLY 46 17.035 -6.976 -7.331 308 HA3 GLY 46 2HA GLY 46 16.720 -7.481 -5.677
Contact the webmaster for help, if required. Wednesday, May 29, 2024 9:08:34 AM GMT (wattos1)