NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
478927 | 2kq5 | 16589 | cing | 1-original | 12 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 1 1HT GLU 1 -15.762 -3.899 2.948 2 H2 GLU 1 2HT GLU 1 -15.356 -5.507 3.280 3 H3 GLU 1 3HT GLU 1 -14.566 -4.678 2.039 4 HA GLU 1 HA GLU 1 -13.599 -3.155 3.641 5 HB2 GLU 1 2HB GLU 1 -14.912 -5.008 5.640 6 HB3 GLU 1 1HB GLU 1 -13.714 -3.787 6.043 7 HG2 GLU 1 2HG GLU 1 -15.225 -2.042 5.253 8 HG3 GLU 1 1HG GLU 1 -16.430 -3.267 4.860 9 H GLN 2 H GLN 2 -11.500 -3.627 4.419 10 HA GLN 2 HA GLN 2 -10.680 -6.381 4.656 11 HB2 GLN 2 2HB GLN 2 -10.666 -5.751 2.152 12 HB3 GLN 2 1HB GLN 2 -9.292 -4.732 2.549 13 HG2 GLN 2 2HG GLN 2 -8.039 -6.641 3.313 14 HG3 GLN 2 1HG GLN 2 -9.431 -7.691 3.062 15 HE21 GLN 2 1HE2 GLN 2 -10.221 -6.457 0.571 16 HE22 GLN 2 2HE2 GLN 2 -9.064 -6.956 -0.612 17 H VAL 3 H VAL 3 -8.430 -6.556 5.386 18 HA VAL 3 HA VAL 3 -7.815 -4.774 7.421 19 HB VAL 3 HB VAL 3 -5.496 -5.801 7.349 20 HG11 VAL 3 1HG1 VAL 3 -6.314 -8.003 8.101 21 HG12 VAL 3 2HG1 VAL 3 -7.910 -7.592 7.474 22 HG13 VAL 3 3HG1 VAL 3 -7.217 -6.660 8.799 23 HG21 VAL 3 3HG2 VAL 3 -6.761 -7.468 5.174 24 HG22 VAL 3 1HG2 VAL 3 -5.204 -7.781 5.942 25 HG23 VAL 3 2HG2 VAL 3 -5.429 -6.330 4.962 26 H VAL 4 H VAL 4 -6.849 -4.697 4.062 27 HA VAL 4 HA VAL 4 -4.780 -2.757 4.392 28 HB VAL 4 HB VAL 4 -4.844 -2.530 1.944 29 HG11 VAL 4 1HG1 VAL 4 -3.549 -4.337 2.916 30 HG12 VAL 4 2HG1 VAL 4 -4.261 -4.854 1.389 31 HG13 VAL 4 3HG1 VAL 4 -4.967 -5.383 2.916 32 HG21 VAL 4 3HG2 VAL 4 -7.313 -2.762 1.709 33 HG22 VAL 4 1HG2 VAL 4 -7.136 -4.491 2.006 34 HG23 VAL 4 2HG2 VAL 4 -6.398 -3.762 0.581 35 H ALA 5 H ALA 5 -8.147 -2.562 4.450 36 HA ALA 5 HA ALA 5 -8.158 0.256 3.625 37 HB1 ALA 5 3HB ALA 5 -10.477 -1.625 4.051 38 HB2 ALA 5 1HB ALA 5 -9.777 -1.187 2.494 39 HB3 ALA 5 2HB ALA 5 -10.585 0.037 3.473 40 H ILE 6 H ILE 6 -8.831 -1.904 6.316 41 HA ILE 6 HA ILE 6 -10.010 0.075 7.985 42 HB ILE 6 HB ILE 6 -8.657 -2.503 8.799 43 HG12 ILE 6 2HG1 ILE 6 -11.592 -1.921 8.335 44 HG13 ILE 6 1HG1 ILE 6 -10.553 -2.785 7.209 45 HG21 ILE 6 1HG2 ILE 6 -8.858 -0.969 10.669 46 HG22 ILE 6 2HG2 ILE 6 -9.998 -2.301 10.852 47 HG23 ILE 6 3HG2 ILE 6 -10.568 -0.723 10.310 48 HD11 ILE 6 3HD1 ILE 6 -11.882 -4.342 8.468 49 HD12 ILE 6 1HD1 ILE 6 -11.295 -3.662 9.986 50 HD13 ILE 6 2HD1 ILE 6 -10.185 -4.514 8.914 51 H ALA 7 H ALA 7 -6.732 -1.272 7.758 52 HA ALA 7 HA ALA 7 -5.589 0.212 9.844 53 HB1 ALA 7 3HB ALA 7 -3.451 -0.371 8.886 54 HB2 ALA 7 1HB ALA 7 -4.214 -0.773 7.347 55 HB3 ALA 7 2HB ALA 7 -4.538 -1.754 8.775 56 H SER 8 H SER 8 -6.010 0.934 6.420 57 HA SER 8 HA SER 8 -4.514 3.350 6.459 58 HB2 SER 8 2HB SER 8 -5.908 3.709 4.273 59 HB3 SER 8 1HB SER 8 -4.681 2.442 4.338 60 HG SER 8 HG SER 8 -6.209 1.083 3.927 61 H ASN 9 H ASN 9 -7.752 2.510 7.310 62 HA ASN 9 HA ASN 9 -8.872 5.135 7.078 63 HB2 ASN 9 2HB ASN 9 -10.203 2.988 7.112 64 HB3 ASN 9 1HB ASN 9 -9.836 2.861 8.830 65 HD21 ASN 9 1HD2 ASN 9 -11.939 3.020 9.491 66 HD22 ASN 9 2HD2 ASN 9 -12.861 4.476 9.355 67 H ILE 10 H ILE 10 -7.127 3.331 9.471 68 HA ILE 10 HA ILE 10 -7.626 5.222 11.599 69 HB ILE 10 HB ILE 10 -5.667 2.922 11.472 70 HG12 ILE 10 2HG1 ILE 10 -7.952 2.114 11.234 71 HG13 ILE 10 1HG1 ILE 10 -7.341 1.703 12.832 72 HG21 ILE 10 1HG2 ILE 10 -6.683 4.469 13.849 73 HG22 ILE 10 2HG2 ILE 10 -5.068 4.594 13.150 74 HG23 ILE 10 3HG2 ILE 10 -5.591 3.085 13.897 75 HD11 ILE 10 3HD1 ILE 10 -9.624 2.444 12.986 76 HD12 ILE 10 1HD1 ILE 10 -9.225 3.949 12.157 77 HD13 ILE 10 2HD1 ILE 10 -8.563 3.624 13.758 78 H GLY 11 H GLY 11 -4.872 4.253 9.561 79 HA2 GLY 11 2HA GLY 11 -3.088 6.191 10.656 80 HA3 GLY 11 1HA GLY 11 -2.839 5.264 9.186 81 H GLY 12 H GLY 12 -5.137 6.135 7.765 82 HA2 GLY 12 2HA GLY 12 -6.110 8.084 6.843 83 HA3 GLY 12 1HA GLY 12 -4.866 9.048 7.623 84 H LYS 13 H LYS 13 -3.328 6.463 6.270 85 HA LYS 13 HA LYS 13 -2.926 7.852 3.697 86 HB2 LYS 13 2HB LYS 13 -0.758 6.373 5.182 87 HB3 LYS 13 1HB LYS 13 -0.578 7.447 3.802 88 HG2 LYS 13 2HG LYS 13 -1.037 9.365 5.131 89 HG3 LYS 13 1HG LYS 13 -1.544 8.372 6.498 90 HD2 LYS 13 2HD LYS 13 1.244 8.510 5.348 91 HD3 LYS 13 1HD LYS 13 0.702 9.298 6.827 92 HE2 LYS 13 2HE LYS 13 0.989 6.354 6.288 93 HE3 LYS 13 1HE LYS 13 1.828 7.324 7.493 94 HZ1 LYS 13 3HZ LYS 13 0.241 6.273 8.744 95 HZ2 LYS 13 1HZ LYS 13 -0.929 6.297 7.519 96 HZ3 LYS 13 2HZ LYS 13 -0.566 7.712 8.381 97 H GLN 14 H GLN 14 -4.325 6.448 2.636 98 HA GLN 14 HA GLN 14 -4.484 3.702 2.905 99 HB2 GLN 14 2HB GLN 14 -6.078 5.141 1.646 100 HB3 GLN 14 1HB GLN 14 -4.901 5.227 0.342 101 HG2 GLN 14 2HG GLN 14 -5.047 2.855 -0.017 102 HG3 GLN 14 1HG GLN 14 -6.104 2.673 1.380 103 HE21 GLN 14 1HE2 GLN 14 -6.549 1.954 -1.400 104 HE22 GLN 14 2HE2 GLN 14 -7.975 2.797 -1.890 105 H ALA 15 H ALA 15 -2.443 5.534 0.646 106 HA ALA 15 HA ALA 15 -1.388 3.269 -0.668 107 HB1 ALA 15 3HB ALA 15 -0.170 6.011 -0.425 108 HB2 ALA 15 1HB ALA 15 -1.363 5.521 -1.627 109 HB3 ALA 15 2HB ALA 15 0.237 4.784 -1.623 110 H LEU 16 H LEU 16 -0.424 4.893 2.281 111 HA LEU 16 HA LEU 16 2.123 3.499 2.326 112 HB2 LEU 16 2HB LEU 16 1.347 5.919 3.293 113 HB3 LEU 16 1HB LEU 16 1.277 4.937 4.742 114 HG LEU 16 HG LEU 16 3.737 4.714 3.100 115 HD11 LEU 16 1HD1 LEU 16 3.105 7.132 4.787 116 HD12 LEU 16 2HD1 LEU 16 3.357 7.106 3.041 117 HD13 LEU 16 3HD1 LEU 16 4.693 6.728 4.132 118 HD21 LEU 16 3HD2 LEU 16 4.777 4.496 5.266 119 HD22 LEU 16 1HD2 LEU 16 3.368 3.438 5.192 120 HD23 LEU 16 2HD2 LEU 16 3.281 4.965 6.071 121 H GLU 17 H GLU 17 -0.963 3.422 4.043 122 HA GLU 17 HA GLU 17 -0.116 1.454 5.912 123 HB2 GLU 17 2HB GLU 17 -2.693 2.715 5.163 124 HB3 GLU 17 1HB GLU 17 -2.781 1.151 5.962 125 HG2 GLU 17 2HG GLU 17 -2.952 2.803 7.644 126 HG3 GLU 17 1HG GLU 17 -1.342 2.100 7.778 127 H THR 18 H THR 18 -1.580 1.316 2.716 128 HA THR 18 HA THR 18 -2.246 -1.440 2.856 129 HB THR 18 HB THR 18 -3.198 0.278 1.220 130 HG1 THR 18 HG1 THR 18 -2.416 -2.361 0.600 131 HG21 THR 18 3HG2 THR 18 -1.069 1.117 0.327 132 HG22 THR 18 1HG2 THR 18 -2.087 0.453 -0.953 133 HG23 THR 18 2HG2 THR 18 -0.721 -0.481 -0.339 134 H VAL 19 H VAL 19 0.673 0.292 1.893 135 HA VAL 19 HA VAL 19 1.879 -1.980 0.661 136 HB VAL 19 HB VAL 19 2.527 0.410 0.189 137 HG11 VAL 19 1HG1 VAL 19 4.166 1.491 1.596 138 HG12 VAL 19 2HG1 VAL 19 4.109 0.148 2.739 139 HG13 VAL 19 3HG1 VAL 19 2.695 1.178 2.515 140 HG21 VAL 19 3HG2 VAL 19 3.860 -1.411 -0.642 141 HG22 VAL 19 1HG2 VAL 19 4.699 -1.551 0.903 142 HG23 VAL 19 2HG2 VAL 19 4.923 -0.114 -0.096 143 H GLN 20 H GLN 20 1.749 -0.745 3.924 144 HA GLN 20 HA GLN 20 3.855 -2.466 4.871 145 HB2 GLN 20 2HB GLN 20 1.816 -0.780 6.335 146 HB3 GLN 20 1HB GLN 20 3.077 -1.711 7.135 147 HG2 GLN 20 2HG GLN 20 3.621 0.430 5.094 148 HG3 GLN 20 1HG GLN 20 3.566 0.724 6.830 149 HE21 GLN 20 1HE2 GLN 20 5.711 1.383 6.850 150 HE22 GLN 20 2HE2 GLN 20 7.025 0.268 6.696 151 H ARG 21 H ARG 21 0.454 -2.662 4.399 152 HA ARG 21 HA ARG 21 0.130 -4.940 6.159 153 HB2 ARG 21 2HB ARG 21 -1.645 -3.188 5.838 154 HB3 ARG 21 1HB ARG 21 -1.861 -3.792 4.202 155 HG2 ARG 21 2HG ARG 21 -3.566 -4.772 5.503 156 HG3 ARG 21 1HG ARG 21 -2.373 -6.040 5.221 157 HD2 ARG 21 2HD ARG 21 -2.277 -4.355 7.699 158 HD3 ARG 21 1HD ARG 21 -3.351 -5.748 7.594 159 HE ARG 21 HE ARG 21 -0.446 -5.774 7.748 160 HH11 ARG 21 1HH1 ARG 21 -3.395 -7.596 7.232 161 HH12 ARG 21 2HH1 ARG 21 -2.649 -9.134 7.514 162 HH21 ARG 21 1HH2 ARG 21 0.537 -7.797 8.145 163 HH22 ARG 21 2HH2 ARG 21 -0.412 -9.249 8.054 164 H LEU 22 H LEU 22 0.219 -4.284 2.682 165 HA LEU 22 HA LEU 22 -0.186 -7.082 2.049 166 HB2 LEU 22 2HB LEU 22 0.319 -4.637 0.370 167 HB3 LEU 22 1HB LEU 22 0.265 -6.247 -0.319 168 HG LEU 22 HG LEU 22 -2.014 -5.008 1.218 169 HD11 LEU 22 1HD1 LEU 22 -1.588 -3.715 -0.797 170 HD12 LEU 22 2HD1 LEU 22 -3.067 -4.658 -0.963 171 HD13 LEU 22 3HD1 LEU 22 -1.589 -5.192 -1.762 172 HD21 LEU 22 3HD2 LEU 22 -1.815 -7.463 -0.522 173 HD22 LEU 22 1HD2 LEU 22 -3.311 -6.808 0.140 174 HD23 LEU 22 2HD2 LEU 22 -2.065 -7.423 1.223 175 H LEU 23 H LEU 23 2.397 -5.349 3.103 176 HA LEU 23 HA LEU 23 4.521 -6.043 1.461 177 HB2 LEU 23 2HB LEU 23 4.601 -4.451 3.382 178 HB3 LEU 23 1HB LEU 23 4.630 -5.822 4.468 179 HG LEU 23 HG LEU 23 6.742 -6.523 3.097 180 HD11 LEU 23 1HD1 LEU 23 7.987 -4.716 2.153 181 HD12 LEU 23 2HD1 LEU 23 6.778 -3.542 2.673 182 HD13 LEU 23 3HD1 LEU 23 6.385 -4.708 1.411 183 HD21 LEU 23 3HD2 LEU 23 6.783 -4.218 5.040 184 HD22 LEU 23 1HD2 LEU 23 8.141 -5.271 4.650 185 HD23 LEU 23 2HD2 LEU 23 6.723 -5.927 5.467 186 HA PRO 24 HA PRO 24 5.287 -10.088 4.009 187 HB2 PRO 24 2HB PRO 24 3.198 -11.033 5.499 188 HB3 PRO 24 1HB PRO 24 4.493 -10.031 6.162 189 HG2 PRO 24 2HG PRO 24 1.752 -9.231 5.263 190 HG3 PRO 24 1HG PRO 24 2.643 -8.729 6.713 191 HD2 PRO 24 2HD PRO 24 2.486 -7.149 4.553 192 HD3 PRO 24 1HD PRO 24 3.959 -7.232 5.541 193 H VAL 25 H VAL 25 2.040 -9.379 2.876 194 HA VAL 25 HA VAL 25 1.296 -11.970 2.071 195 HB VAL 25 HB VAL 25 0.392 -9.329 0.906 196 HG11 VAL 25 1HG1 VAL 25 -1.635 -10.572 0.265 197 HG12 VAL 25 2HG1 VAL 25 -0.885 -12.063 0.841 198 HG13 VAL 25 3HG1 VAL 25 -0.189 -11.197 -0.531 199 HG21 VAL 25 3HG2 VAL 25 0.059 -9.409 3.321 200 HG22 VAL 25 1HG2 VAL 25 -0.765 -10.960 3.166 201 HG23 VAL 25 2HG2 VAL 25 -1.486 -9.507 2.474 202 H LEU 26 H LEU 26 2.459 -9.243 0.075 203 HA LEU 26 HA LEU 26 2.757 -10.867 -2.244 204 HB2 LEU 26 2HB LEU 26 3.370 -8.063 -1.519 205 HB3 LEU 26 1HB LEU 26 4.287 -8.746 -2.845 206 HG LEU 26 HG LEU 26 2.360 -7.536 -3.689 207 HD11 LEU 26 1HD1 LEU 26 1.893 -10.493 -4.004 208 HD12 LEU 26 2HD1 LEU 26 3.149 -9.587 -4.848 209 HD13 LEU 26 3HD1 LEU 26 1.449 -9.209 -5.127 210 HD21 LEU 26 3HD2 LEU 26 0.900 -7.738 -1.751 211 HD22 LEU 26 1HD2 LEU 26 0.707 -9.461 -2.060 212 HD23 LEU 26 2HD2 LEU 26 0.083 -8.284 -3.213 213 H CYS 27 H CYS 27 4.797 -10.171 0.453 214 HA CYS 27 HA CYS 27 7.253 -10.875 -0.839 215 HB2 CYS 27 2HB CYS 27 7.143 -9.403 1.166 216 HB3 CYS 27 1HB CYS 27 6.637 -10.790 2.122 217 HG CYS 27 HG CYS 27 9.183 -12.084 1.057 218 H GLN 28 H GLN 28 4.790 -12.587 0.981 219 HA GLN 28 HA GLN 28 6.379 -14.993 1.138 220 HB2 GLN 28 2HB GLN 28 4.688 -14.305 2.877 221 HB3 GLN 28 1HB GLN 28 3.430 -14.688 1.711 222 HG2 GLN 28 2HG GLN 28 3.812 -16.493 3.329 223 HG3 GLN 28 1HG GLN 28 4.109 -16.997 1.665 224 HE21 GLN 28 1HE2 GLN 28 6.199 -17.458 1.008 225 HE22 GLN 28 2HE2 GLN 28 7.494 -17.689 2.133 226 H ALA 29 H ALA 29 3.633 -13.807 -0.737 227 HA ALA 29 HA ALA 29 3.193 -16.238 -2.140 228 HB1 ALA 29 3HB ALA 29 1.749 -14.914 -3.595 229 HB2 ALA 29 1HB ALA 29 2.389 -13.429 -2.887 230 HB3 ALA 29 2HB ALA 29 1.449 -14.545 -1.894 231 H HIS 30 H HIS 30 5.170 -13.389 -2.784 232 HA HIS 30 HA HIS 30 6.309 -14.825 -5.087 233 HB2 HIS 30 2HB HIS 30 5.379 -11.980 -4.941 234 HB3 HIS 30 1HB HIS 30 6.720 -12.403 -6.000 235 HD1 HIS 30 HD1 HIS 30 6.158 -14.174 -7.920 236 HD2 HIS 30 HD2 HIS 30 2.889 -12.572 -5.918 237 HE1 HIS 30 HE1 HIS 30 4.167 -14.665 -9.374 238 HE2 HIS 30 HE2 HIS 30 2.187 -13.884 -8.027 239 H GLY 31 H GLY 31 6.915 -11.940 -3.068 240 HA2 GLY 31 2HA GLY 31 8.867 -12.114 -1.543 241 HA3 GLY 31 1HA GLY 31 9.722 -12.850 -2.889 242 H LEU 32 H LEU 32 8.818 -11.137 -4.925 243 HA LEU 32 HA LEU 32 10.697 -9.069 -4.795 244 HB2 LEU 32 2HB LEU 32 9.919 -9.925 -6.912 245 HB3 LEU 32 1HB LEU 32 8.275 -9.428 -6.562 246 HG LEU 32 HG LEU 32 9.176 -7.032 -6.534 247 HD11 LEU 32 1HD1 LEU 32 11.536 -7.541 -6.355 248 HD12 LEU 32 2HD1 LEU 32 11.218 -6.674 -7.858 249 HD13 LEU 32 3HD1 LEU 32 11.488 -8.415 -7.885 250 HD21 LEU 32 3HD2 LEU 32 9.249 -8.580 -9.122 251 HD22 LEU 32 1HD2 LEU 32 9.023 -6.839 -8.958 252 HD23 LEU 32 2HD2 LEU 32 7.799 -7.950 -8.341 253 H THR 33 H THR 33 7.252 -9.122 -4.109 254 HA THR 33 HA THR 33 5.840 -7.658 -3.114 255 HB THR 33 HB THR 33 8.233 -6.228 -1.978 256 HG1 THR 33 HG1 THR 33 8.715 -8.305 -1.483 257 HG21 THR 33 3HG2 THR 33 6.697 -6.090 0.007 258 HG22 THR 33 1HG2 THR 33 5.424 -6.769 -1.010 259 HG23 THR 33 2HG2 THR 33 6.139 -5.209 -1.414 260 HA PRO 34 HA PRO 34 6.661 -4.607 -6.534 261 HB2 PRO 34 2HB PRO 34 3.830 -5.156 -7.115 262 HB3 PRO 34 1HB PRO 34 5.229 -5.218 -8.193 263 HG2 PRO 34 2HG PRO 34 3.980 -7.449 -7.370 264 HG3 PRO 34 1HG PRO 34 5.733 -7.396 -7.629 265 HD2 PRO 34 2HD PRO 34 4.189 -7.273 -5.064 266 HD3 PRO 34 1HD PRO 34 5.693 -8.143 -5.435 267 H GLU 35 H GLU 35 4.352 -4.927 -3.994 268 HA GLU 35 HA GLU 35 2.867 -2.595 -4.263 269 HB2 GLU 35 2HB GLU 35 3.743 -3.834 -1.655 270 HB3 GLU 35 1HB GLU 35 2.342 -2.805 -1.916 271 HG2 GLU 35 2HG GLU 35 2.778 -5.633 -2.807 272 HG3 GLU 35 1HG GLU 35 1.496 -4.986 -1.786 273 H GLN 36 H GLN 36 6.048 -3.071 -2.769 274 HA GLN 36 HA GLN 36 6.168 -0.358 -1.838 275 HB2 GLN 36 2HB GLN 36 8.437 -0.849 -1.161 276 HB3 GLN 36 1HB GLN 36 7.383 -2.174 -0.689 277 HG2 GLN 36 2HG GLN 36 8.625 -3.622 -1.805 278 HG3 GLN 36 1HG GLN 36 8.484 -2.677 -3.289 279 HE21 GLN 36 1HE2 GLN 36 10.379 -3.255 -0.425 280 HE22 GLN 36 2HE2 GLN 36 11.811 -2.457 -0.973 281 H VAL 37 H VAL 37 6.202 -1.556 -4.837 282 HA VAL 37 HA VAL 37 8.127 0.436 -5.826 283 HB VAL 37 HB VAL 37 7.041 -1.841 -7.466 284 HG11 VAL 37 1HG1 VAL 37 9.519 -0.137 -7.694 285 HG12 VAL 37 2HG1 VAL 37 8.076 -0.034 -8.702 286 HG13 VAL 37 3HG1 VAL 37 9.098 -1.470 -8.767 287 HG21 VAL 37 3HG2 VAL 37 8.073 -2.887 -5.550 288 HG22 VAL 37 1HG2 VAL 37 9.506 -1.872 -5.728 289 HG23 VAL 37 2HG2 VAL 37 9.122 -3.078 -6.956 290 H VAL 38 H VAL 38 5.010 -1.106 -6.667 291 HA VAL 38 HA VAL 38 4.349 1.048 -8.453 292 HB VAL 38 HB VAL 38 3.631 -1.166 -9.067 293 HG11 VAL 38 1HG1 VAL 38 3.357 -2.089 -6.794 294 HG12 VAL 38 2HG1 VAL 38 1.990 -2.443 -7.852 295 HG13 VAL 38 3HG1 VAL 38 1.858 -1.176 -6.631 296 HG21 VAL 38 3HG2 VAL 38 1.203 -0.744 -9.437 297 HG22 VAL 38 1HG2 VAL 38 2.251 0.599 -9.895 298 HG23 VAL 38 2HG2 VAL 38 1.340 0.665 -8.387 299 H ALA 39 H ALA 39 2.910 -0.106 -5.376 300 HA ALA 39 HA ALA 39 0.967 1.920 -5.210 301 HB1 ALA 39 3HB ALA 39 0.872 -0.146 -3.890 302 HB2 ALA 39 1HB ALA 39 0.727 1.291 -2.876 303 HB3 ALA 39 2HB ALA 39 2.252 0.408 -2.942 304 H ILE 40 H ILE 40 4.231 1.716 -3.855 305 HA ILE 40 HA ILE 40 4.189 4.148 -2.458 306 HB ILE 40 HB ILE 40 6.480 2.612 -3.671 307 HG12 ILE 40 2HG1 ILE 40 5.283 1.526 -1.815 308 HG13 ILE 40 1HG1 ILE 40 6.928 1.956 -1.361 309 HG21 ILE 40 1HG2 ILE 40 7.133 4.950 -3.542 310 HG22 ILE 40 2HG2 ILE 40 7.995 3.996 -2.334 311 HG23 ILE 40 3HG2 ILE 40 6.634 5.010 -1.851 312 HD11 ILE 40 3HD1 ILE 40 4.364 3.272 -0.530 313 HD12 ILE 40 1HD1 ILE 40 5.939 4.037 -0.314 314 HD13 ILE 40 2HD1 ILE 40 5.588 2.502 0.479 315 H ALA 41 H ALA 41 5.210 3.383 -5.771 316 HA ALA 41 HA ALA 41 6.035 5.985 -6.471 317 HB1 ALA 41 3HB ALA 41 6.705 4.029 -7.749 318 HB2 ALA 41 1HB ALA 41 5.899 5.206 -8.787 319 HB3 ALA 41 2HB ALA 41 5.035 3.767 -8.248 320 H SER 42 H SER 42 2.886 4.440 -6.460 321 HA SER 42 HA SER 42 1.562 6.312 -8.103 322 HB2 SER 42 2HB SER 42 0.376 4.666 -5.862 323 HB3 SER 42 1HB SER 42 -0.502 5.401 -7.203 324 HG SER 42 HG SER 42 1.611 3.647 -7.776 325 H HIS 43 H HIS 43 2.455 6.345 -4.727 326 HA HIS 43 HA HIS 43 0.856 8.741 -4.258 327 HB2 HIS 43 2HB HIS 43 0.793 7.088 -2.483 328 HB3 HIS 43 1HB HIS 43 2.551 7.085 -2.377 329 HD1 HIS 43 HD1 HIS 43 -0.461 9.166 -1.451 330 HD2 HIS 43 HD2 HIS 43 3.667 9.177 -0.900 331 HE1 HIS 43 HE1 HIS 43 -0.006 10.924 0.279 332 HE2 HIS 43 HE2 HIS 43 2.496 11.078 0.400 333 H ASP 44 H ASP 44 4.268 7.719 -4.165 334 HA ASP 44 HA ASP 44 5.248 10.310 -3.534 335 HB2 ASP 44 2HB ASP 44 6.558 8.262 -3.124 336 HB3 ASP 44 1HB ASP 44 6.703 8.016 -4.862 337 H GLY 45 H GLY 45 5.342 8.490 -6.608 338 HA2 GLY 45 2HA GLY 45 5.891 11.006 -8.007 339 HA3 GLY 45 1HA GLY 45 6.054 9.389 -8.682 340 H GLY 46 H GLY 46 3.337 10.907 -6.983 341 HA2 GLY 46 2HA GLY 46 1.786 11.332 -9.318 342 HA3 GLY 46 1HA GLY 46 1.343 9.806 -8.566 343 H LYS 47 H LYS 47 0.416 9.811 -6.487 344 HA LYS 47 HA LYS 47 -1.130 12.208 -5.979 345 HB2 LYS 47 2HB LYS 47 -2.034 9.833 -5.944 346 HB3 LYS 47 1HB LYS 47 -1.191 9.631 -4.414 347 HG2 LYS 47 2HG LYS 47 -3.060 10.368 -3.461 348 HG3 LYS 47 1HG LYS 47 -2.603 11.965 -4.055 349 HD2 LYS 47 2HD LYS 47 -3.908 11.631 -6.060 350 HD3 LYS 47 1HD LYS 47 -4.295 9.981 -5.566 351 HE2 LYS 47 2HE LYS 47 -5.013 12.425 -3.966 352 HE3 LYS 47 1HE LYS 47 -6.094 11.679 -5.139 353 HZ1 LYS 47 3HZ LYS 47 -6.659 10.850 -3.010 354 HZ2 LYS 47 1HZ LYS 47 -5.051 10.484 -2.625 355 HZ3 LYS 47 2HZ LYS 47 -5.867 9.590 -3.812 356 H GLN 48 H GLN 48 1.172 13.173 -5.443 357 HA GLN 48 HA GLN 48 1.627 12.857 -2.547 358 HB2 GLN 48 2HB GLN 48 3.601 12.419 -4.003 359 HB3 GLN 48 1HB GLN 48 3.482 14.064 -4.613 360 HG2 GLN 48 2HG GLN 48 5.100 14.294 -3.018 361 HG3 GLN 48 1HG GLN 48 3.658 14.721 -2.104 362 HE21 GLN 48 1HE2 GLN 48 6.194 12.424 -2.562 363 HE22 GLN 48 2HE2 GLN 48 5.886 11.488 -1.142 364 H ALA 49 H ALA 49 1.697 15.326 -5.114 365 HA ALA 49 HA ALA 49 1.386 17.510 -3.311 366 HB1 ALA 49 3HB ALA 49 1.059 18.850 -5.335 367 HB2 ALA 49 1HB ALA 49 0.931 17.376 -6.291 368 HB3 ALA 49 2HB ALA 49 2.448 17.777 -5.492 369 H LEU 50 H LEU 50 -0.737 15.198 -4.474 370 HA LEU 50 HA LEU 50 -3.079 16.913 -3.990 371 HB2 LEU 50 2HB LEU 50 -2.776 14.379 -5.610 372 HB3 LEU 50 1HB LEU 50 -4.335 15.058 -5.191 373 HG LEU 50 HG LEU 50 -4.021 15.829 -7.348 374 HD11 LEU 50 1HD1 LEU 50 -2.746 18.033 -5.749 375 HD12 LEU 50 2HD1 LEU 50 -4.473 17.676 -5.751 376 HD13 LEU 50 3HD1 LEU 50 -3.677 18.185 -7.240 377 HD21 LEU 50 3HD2 LEU 50 -1.899 16.679 -8.236 378 HD22 LEU 50 1HD2 LEU 50 -1.755 15.018 -7.654 379 HD23 LEU 50 2HD2 LEU 50 -1.130 16.351 -6.681 380 H GLU 51 H GLU 51 -1.280 15.430 -2.084 381 HA GLU 51 HA GLU 51 -3.409 14.250 -0.516 382 HB2 GLU 51 2HB GLU 51 -2.284 12.462 -2.031 383 HB3 GLU 51 1HB GLU 51 -0.926 12.607 -0.928 384 HG2 GLU 51 2HG GLU 51 -1.961 11.462 0.693 385 HG3 GLU 51 1HG GLU 51 -3.522 12.221 0.373 Start of MODEL 2 1 H1 GLU 1 1HT GLU 1 -15.713 -3.895 3.716 2 H2 GLU 1 2HT GLU 1 -14.983 -5.395 4.003 3 H3 GLU 1 3HT GLU 1 -14.366 -4.376 2.804 4 HA GLU 1 HA GLU 1 -13.571 -2.833 4.343 5 HB2 GLU 1 2HB GLU 1 -15.035 -4.473 6.422 6 HB3 GLU 1 1HB GLU 1 -13.927 -3.160 6.788 7 HG2 GLU 1 2HG GLU 1 -15.966 -2.115 6.945 8 HG3 GLU 1 1HG GLU 1 -15.510 -1.756 5.282 9 H GLN 2 H GLN 2 -11.960 -4.232 3.179 10 HA GLN 2 HA GLN 2 -10.866 -6.477 4.573 11 HB2 GLN 2 2HB GLN 2 -10.771 -5.836 2.031 12 HB3 GLN 2 1HB GLN 2 -9.336 -4.939 2.511 13 HG2 GLN 2 2HG GLN 2 -8.309 -6.962 3.345 14 HG3 GLN 2 1HG GLN 2 -9.766 -7.883 2.985 15 HE21 GLN 2 1HE2 GLN 2 -10.177 -6.387 0.471 16 HE22 GLN 2 2HE2 GLN 2 -9.026 -7.025 -0.645 17 H VAL 3 H VAL 3 -8.663 -6.568 5.406 18 HA VAL 3 HA VAL 3 -8.172 -4.730 7.406 19 HB VAL 3 HB VAL 3 -5.823 -5.699 7.455 20 HG11 VAL 3 1HG1 VAL 3 -6.619 -7.861 8.286 21 HG12 VAL 3 2HG1 VAL 3 -8.179 -7.581 7.513 22 HG13 VAL 3 3HG1 VAL 3 -7.647 -6.537 8.832 23 HG21 VAL 3 3HG2 VAL 3 -6.956 -7.458 5.281 24 HG22 VAL 3 1HG2 VAL 3 -5.411 -7.684 6.097 25 HG23 VAL 3 2HG2 VAL 3 -5.670 -6.272 5.075 26 H VAL 4 H VAL 4 -7.023 -4.671 4.086 27 HA VAL 4 HA VAL 4 -4.995 -2.738 4.455 28 HB VAL 4 HB VAL 4 -5.164 -2.338 2.013 29 HG11 VAL 4 1HG1 VAL 4 -3.780 -4.144 2.873 30 HG12 VAL 4 2HG1 VAL 4 -4.502 -4.590 1.328 31 HG13 VAL 4 3HG1 VAL 4 -5.159 -5.241 2.829 32 HG21 VAL 4 3HG2 VAL 4 -7.402 -4.358 2.103 33 HG22 VAL 4 1HG2 VAL 4 -6.702 -3.628 0.658 34 HG23 VAL 4 2HG2 VAL 4 -7.600 -2.633 1.801 35 H ALA 5 H ALA 5 -8.447 -2.495 4.117 36 HA ALA 5 HA ALA 5 -8.376 0.365 3.634 37 HB1 ALA 5 3HB ALA 5 -10.736 -1.454 4.099 38 HB2 ALA 5 1HB ALA 5 -10.069 -1.025 2.523 39 HB3 ALA 5 2HB ALA 5 -10.798 0.219 3.540 40 H ILE 6 H ILE 6 -9.036 -1.891 6.247 41 HA ILE 6 HA ILE 6 -10.096 0.011 8.063 42 HB ILE 6 HB ILE 6 -8.697 -2.600 8.671 43 HG12 ILE 6 2HG1 ILE 6 -11.657 -2.003 8.413 44 HG13 ILE 6 1HG1 ILE 6 -10.685 -2.794 7.176 45 HG21 ILE 6 1HG2 ILE 6 -8.815 -1.114 10.612 46 HG22 ILE 6 2HG2 ILE 6 -9.878 -2.510 10.808 47 HG23 ILE 6 3HG2 ILE 6 -10.554 -0.942 10.374 48 HD11 ILE 6 3HD1 ILE 6 -11.308 -3.827 9.927 49 HD12 ILE 6 1HD1 ILE 6 -10.194 -4.601 8.801 50 HD13 ILE 6 2HD1 ILE 6 -11.902 -4.448 8.388 51 H ALA 7 H ALA 7 -6.843 -1.327 7.594 52 HA ALA 7 HA ALA 7 -5.593 0.069 9.688 53 HB1 ALA 7 3HB ALA 7 -3.497 -0.487 8.578 54 HB2 ALA 7 1HB ALA 7 -4.378 -0.918 7.112 55 HB3 ALA 7 2HB ALA 7 -4.591 -1.871 8.582 56 H SER 8 H SER 8 -6.069 0.906 6.275 57 HA SER 8 HA SER 8 -4.527 3.284 6.392 58 HB2 SER 8 2HB SER 8 -5.835 3.821 4.243 59 HB3 SER 8 1HB SER 8 -4.811 2.385 4.236 60 HG SER 8 HG SER 8 -6.514 1.170 4.019 61 H ASN 9 H ASN 9 -7.812 2.507 7.201 62 HA ASN 9 HA ASN 9 -8.831 5.160 7.130 63 HB2 ASN 9 2HB ASN 9 -10.181 2.993 7.157 64 HB3 ASN 9 1HB ASN 9 -9.865 2.932 8.886 65 HD21 ASN 9 1HD2 ASN 9 -12.100 3.076 9.277 66 HD22 ASN 9 2HD2 ASN 9 -12.940 4.580 9.138 67 H ILE 10 H ILE 10 -7.135 3.240 9.486 68 HA ILE 10 HA ILE 10 -7.524 5.145 11.629 69 HB ILE 10 HB ILE 10 -5.643 2.776 11.525 70 HG12 ILE 10 2HG1 ILE 10 -7.949 2.043 11.194 71 HG13 ILE 10 1HG1 ILE 10 -7.389 1.577 12.795 72 HG21 ILE 10 1HG2 ILE 10 -6.703 4.350 13.871 73 HG22 ILE 10 2HG2 ILE 10 -5.057 4.400 13.242 74 HG23 ILE 10 3HG2 ILE 10 -5.677 2.919 13.969 75 HD11 ILE 10 3HD1 ILE 10 -9.663 2.378 12.878 76 HD12 ILE 10 1HD1 ILE 10 -9.176 3.906 12.146 77 HD13 ILE 10 2HD1 ILE 10 -8.595 3.473 13.754 78 H GLY 11 H GLY 11 -4.908 4.095 9.484 79 HA2 GLY 11 2HA GLY 11 -2.943 5.851 10.569 80 HA3 GLY 11 1HA GLY 11 -2.843 4.999 9.037 81 H GLY 12 H GLY 12 -5.071 6.056 7.739 82 HA2 GLY 12 2HA GLY 12 -5.980 8.092 6.968 83 HA3 GLY 12 1HA GLY 12 -4.681 8.958 7.769 84 H LYS 13 H LYS 13 -3.176 6.471 6.293 85 HA LYS 13 HA LYS 13 -2.853 7.944 3.758 86 HB2 LYS 13 2HB LYS 13 -0.643 6.521 5.248 87 HB3 LYS 13 1HB LYS 13 -0.478 7.515 3.806 88 HG2 LYS 13 2HG LYS 13 -0.916 9.499 4.999 89 HG3 LYS 13 1HG LYS 13 -1.519 8.615 6.401 90 HD2 LYS 13 2HD LYS 13 1.333 8.630 5.407 91 HD3 LYS 13 1HD LYS 13 0.722 9.528 6.795 92 HE2 LYS 13 2HE LYS 13 1.012 6.552 6.474 93 HE3 LYS 13 1HE LYS 13 1.753 7.602 7.677 94 HZ1 LYS 13 3HZ LYS 13 0.085 6.754 8.914 95 HZ2 LYS 13 1HZ LYS 13 -0.939 6.478 7.593 96 HZ3 LYS 13 2HZ LYS 13 -0.776 8.039 8.241 97 H GLN 14 H GLN 14 -4.230 6.578 2.668 98 HA GLN 14 HA GLN 14 -4.425 3.841 2.755 99 HB2 GLN 14 2HB GLN 14 -5.987 5.273 1.551 100 HB3 GLN 14 1HB GLN 14 -4.753 5.648 0.357 101 HG2 GLN 14 2HG GLN 14 -4.686 3.200 -0.190 102 HG3 GLN 14 1HG GLN 14 -6.097 3.004 0.849 103 HE21 GLN 14 1HE2 GLN 14 -5.713 2.615 -2.054 104 HE22 GLN 14 2HE2 GLN 14 -6.935 3.578 -2.808 105 H ALA 15 H ALA 15 -2.298 5.706 0.580 106 HA ALA 15 HA ALA 15 -1.210 3.317 -0.577 107 HB1 ALA 15 3HB ALA 15 -0.314 6.178 -0.841 108 HB2 ALA 15 1HB ALA 15 -1.440 5.329 -1.899 109 HB3 ALA 15 2HB ALA 15 0.249 4.825 -1.824 110 H LEU 16 H LEU 16 -0.741 4.274 2.432 111 HA LEU 16 HA LEU 16 2.101 3.507 2.383 112 HB2 LEU 16 2HB LEU 16 0.739 5.669 3.919 113 HB3 LEU 16 1HB LEU 16 2.113 4.854 4.643 114 HG LEU 16 HG LEU 16 2.219 6.171 1.929 115 HD11 LEU 16 1HD1 LEU 16 1.741 7.891 3.522 116 HD12 LEU 16 2HD1 LEU 16 3.446 7.984 3.084 117 HD13 LEU 16 3HD1 LEU 16 2.968 7.271 4.624 118 HD21 LEU 16 3HD2 LEU 16 4.650 6.068 2.311 119 HD22 LEU 16 1HD2 LEU 16 3.908 4.466 2.273 120 HD23 LEU 16 2HD2 LEU 16 4.358 5.193 3.817 121 H GLU 17 H GLU 17 -0.941 3.408 4.185 122 HA GLU 17 HA GLU 17 0.047 1.529 6.100 123 HB2 GLU 17 2HB GLU 17 -2.614 2.688 5.419 124 HB3 GLU 17 1HB GLU 17 -2.590 1.185 6.328 125 HG2 GLU 17 2HG GLU 17 -2.745 2.996 7.867 126 HG3 GLU 17 1HG GLU 17 -1.143 2.278 8.015 127 H THR 18 H THR 18 -1.763 1.340 3.097 128 HA THR 18 HA THR 18 -2.314 -1.421 3.143 129 HB THR 18 HB THR 18 -2.018 0.446 0.784 130 HG1 THR 18 HG1 THR 18 -4.031 1.008 1.195 131 HG21 THR 18 3HG2 THR 18 -3.232 -2.310 0.984 132 HG22 THR 18 1HG2 THR 18 -1.869 -1.810 -0.021 133 HG23 THR 18 2HG2 THR 18 -3.493 -1.211 -0.372 134 H VAL 19 H VAL 19 0.438 0.440 1.924 135 HA VAL 19 HA VAL 19 1.673 -1.648 0.506 136 HB VAL 19 HB VAL 19 2.199 0.888 0.462 137 HG11 VAL 19 1HG1 VAL 19 4.112 1.600 1.758 138 HG12 VAL 19 2HG1 VAL 19 4.183 0.032 2.563 139 HG13 VAL 19 3HG1 VAL 19 2.805 1.101 2.832 140 HG21 VAL 19 3HG2 VAL 19 3.279 -0.672 -1.001 141 HG22 VAL 19 1HG2 VAL 19 4.350 -1.212 0.293 142 HG23 VAL 19 2HG2 VAL 19 4.495 0.424 -0.347 143 H GLN 20 H GLN 20 1.645 -0.888 3.912 144 HA GLN 20 HA GLN 20 3.841 -2.704 4.458 145 HB2 GLN 20 2HB GLN 20 3.352 -0.536 5.748 146 HB3 GLN 20 1HB GLN 20 2.057 -1.441 6.524 147 HG2 GLN 20 2HG GLN 20 3.888 -3.169 7.061 148 HG3 GLN 20 1HG GLN 20 5.011 -1.861 6.699 149 HE21 GLN 20 1HE2 GLN 20 5.762 -1.790 8.803 150 HE22 GLN 20 2HE2 GLN 20 4.817 -1.152 10.102 151 H ARG 21 H ARG 21 0.393 -2.748 4.348 152 HA ARG 21 HA ARG 21 0.132 -5.118 5.976 153 HB2 ARG 21 2HB ARG 21 -1.650 -3.400 5.899 154 HB3 ARG 21 1HB ARG 21 -1.910 -3.766 4.202 155 HG2 ARG 21 2HG ARG 21 -3.585 -4.818 5.642 156 HG3 ARG 21 1HG ARG 21 -2.634 -6.008 4.756 157 HD2 ARG 21 2HD ARG 21 -1.715 -5.236 7.477 158 HD3 ARG 21 1HD ARG 21 -3.145 -6.260 7.343 159 HE ARG 21 HE ARG 21 -1.068 -7.278 5.715 160 HH11 ARG 21 1HH1 ARG 21 -2.011 -7.002 9.076 161 HH12 ARG 21 2HH1 ARG 21 -1.115 -8.403 9.573 162 HH21 ARG 21 1HH2 ARG 21 0.091 -9.146 6.381 163 HH22 ARG 21 2HH2 ARG 21 0.076 -9.612 8.050 164 H LEU 22 H LEU 22 0.160 -4.312 2.545 165 HA LEU 22 HA LEU 22 -0.334 -7.058 1.784 166 HB2 LEU 22 2HB LEU 22 0.215 -4.537 0.248 167 HB3 LEU 22 1HB LEU 22 0.186 -6.098 -0.544 168 HG LEU 22 HG LEU 22 -2.126 -4.887 0.976 169 HD11 LEU 22 1HD1 LEU 22 -3.149 -4.624 -1.234 170 HD12 LEU 22 2HD1 LEU 22 -1.653 -5.180 -1.986 171 HD13 LEU 22 3HD1 LEU 22 -1.674 -3.671 -1.077 172 HD21 LEU 22 3HD2 LEU 22 -1.847 -7.431 -0.613 173 HD22 LEU 22 1HD2 LEU 22 -3.394 -6.731 -0.139 174 HD23 LEU 22 2HD2 LEU 22 -2.255 -7.267 1.093 175 H LEU 23 H LEU 23 2.339 -5.161 2.614 176 HA LEU 23 HA LEU 23 4.390 -6.075 1.022 177 HB2 LEU 23 2HB LEU 23 4.649 -4.285 2.648 178 HB3 LEU 23 1HB LEU 23 4.472 -5.424 3.966 179 HG LEU 23 HG LEU 23 6.572 -6.531 2.699 180 HD11 LEU 23 1HD1 LEU 23 8.079 -4.863 1.903 181 HD12 LEU 23 2HD1 LEU 23 6.970 -3.565 2.345 182 HD13 LEU 23 3HD1 LEU 23 6.559 -4.667 1.030 183 HD21 LEU 23 3HD2 LEU 23 6.652 -4.285 4.704 184 HD22 LEU 23 1HD2 LEU 23 7.960 -5.425 4.384 185 HD23 LEU 23 2HD2 LEU 23 6.434 -5.999 5.059 186 HA PRO 24 HA PRO 24 5.253 -9.813 4.021 187 HB2 PRO 24 2HB PRO 24 3.113 -10.605 5.558 188 HB3 PRO 24 1HB PRO 24 4.432 -9.583 6.142 189 HG2 PRO 24 2HG PRO 24 1.717 -8.795 5.158 190 HG3 PRO 24 1HG PRO 24 2.622 -8.184 6.556 191 HD2 PRO 24 2HD PRO 24 2.509 -6.797 4.276 192 HD3 PRO 24 1HD PRO 24 3.996 -6.853 5.247 193 H VAL 25 H VAL 25 1.985 -9.282 2.816 194 HA VAL 25 HA VAL 25 1.383 -11.981 2.219 195 HB VAL 25 HB VAL 25 0.280 -9.541 0.817 196 HG11 VAL 25 1HG1 VAL 25 -1.687 -10.935 0.441 197 HG12 VAL 25 2HG1 VAL 25 -0.892 -12.285 1.251 198 HG13 VAL 25 3HG1 VAL 25 -0.245 -11.665 -0.269 199 HG21 VAL 25 3HG2 VAL 25 0.036 -9.226 3.201 200 HG22 VAL 25 1HG2 VAL 25 -0.637 -10.848 3.377 201 HG23 VAL 25 2HG2 VAL 25 -1.532 -9.611 2.491 202 H LEU 26 H LEU 26 2.615 -9.314 0.226 203 HA LEU 26 HA LEU 26 2.853 -10.865 -2.132 204 HB2 LEU 26 2HB LEU 26 3.707 -8.174 -1.249 205 HB3 LEU 26 1HB LEU 26 4.616 -8.886 -2.566 206 HG LEU 26 HG LEU 26 2.859 -7.471 -3.449 207 HD11 LEU 26 1HD1 LEU 26 2.062 -10.342 -3.882 208 HD12 LEU 26 2HD1 LEU 26 3.475 -9.591 -4.621 209 HD13 LEU 26 3HD1 LEU 26 1.863 -8.983 -4.987 210 HD21 LEU 26 3HD2 LEU 26 1.330 -7.632 -1.525 211 HD22 LEU 26 1HD2 LEU 26 0.910 -9.272 -2.021 212 HD23 LEU 26 2HD2 LEU 26 0.519 -7.907 -3.067 213 H CYS 27 H CYS 27 4.956 -10.307 0.600 214 HA CYS 27 HA CYS 27 7.319 -11.332 -0.618 215 HB2 CYS 27 2HB CYS 27 6.565 -11.097 2.307 216 HB3 CYS 27 1HB CYS 27 8.173 -11.495 1.715 217 HG CYS 27 HG CYS 27 6.540 -8.527 1.224 218 H GLN 28 H GLN 28 4.760 -12.703 1.391 219 HA GLN 28 HA GLN 28 5.924 -15.287 1.615 220 HB2 GLN 28 2HB GLN 28 3.952 -14.022 2.931 221 HB3 GLN 28 1HB GLN 28 2.980 -14.990 1.830 222 HG2 GLN 28 2HG GLN 28 3.216 -16.229 3.834 223 HG3 GLN 28 1HG GLN 28 4.241 -16.998 2.626 224 HE21 GLN 28 1HE2 GLN 28 5.591 -17.944 4.110 225 HE22 GLN 28 2HE2 GLN 28 6.708 -17.039 5.070 226 H ALA 29 H ALA 29 3.525 -13.875 -0.570 227 HA ALA 29 HA ALA 29 3.034 -16.393 -1.879 228 HB1 ALA 29 3HB ALA 29 1.582 -15.119 -3.358 229 HB2 ALA 29 1HB ALA 29 2.185 -13.613 -2.670 230 HB3 ALA 29 2HB ALA 29 1.263 -14.732 -1.668 231 H HIS 30 H HIS 30 5.132 -13.644 -2.415 232 HA HIS 30 HA HIS 30 6.213 -15.052 -4.751 233 HB2 HIS 30 2HB HIS 30 5.215 -12.258 -4.619 234 HB3 HIS 30 1HB HIS 30 6.665 -12.559 -5.564 235 HD1 HIS 30 HD1 HIS 30 6.335 -13.410 -7.885 236 HD2 HIS 30 HD2 HIS 30 2.910 -13.787 -5.560 237 HE1 HIS 30 HE1 HIS 30 4.528 -14.160 -9.460 238 HE2 HIS 30 HE2 HIS 30 2.435 -14.213 -8.064 239 H GLY 31 H GLY 31 7.119 -11.889 -3.425 240 HA2 GLY 31 2HA GLY 31 8.994 -12.172 -1.651 241 HA3 GLY 31 1HA GLY 31 9.807 -12.987 -2.975 242 H LEU 32 H LEU 32 8.840 -11.197 -5.043 243 HA LEU 32 HA LEU 32 10.875 -9.227 -4.879 244 HB2 LEU 32 2HB LEU 32 9.781 -10.297 -6.961 245 HB3 LEU 32 1HB LEU 32 8.549 -9.067 -6.768 246 HG LEU 32 HG LEU 32 10.412 -7.349 -6.877 247 HD11 LEU 32 1HD1 LEU 32 12.289 -8.791 -6.396 248 HD12 LEU 32 2HD1 LEU 32 12.477 -8.088 -8.004 249 HD13 LEU 32 3HD1 LEU 32 11.948 -9.761 -7.829 250 HD21 LEU 32 3HD2 LEU 32 8.927 -7.675 -8.738 251 HD22 LEU 32 1HD2 LEU 32 9.823 -9.101 -9.257 252 HD23 LEU 32 2HD2 LEU 32 10.574 -7.510 -9.348 253 H THR 33 H THR 33 7.382 -9.133 -4.453 254 HA THR 33 HA THR 33 5.993 -7.677 -3.417 255 HB THR 33 HB THR 33 8.317 -6.142 -2.294 256 HG1 THR 33 HG1 THR 33 8.808 -8.370 -2.031 257 HG21 THR 33 3HG2 THR 33 6.803 -6.161 -0.283 258 HG22 THR 33 1HG2 THR 33 5.578 -6.918 -1.299 259 HG23 THR 33 2HG2 THR 33 6.162 -5.300 -1.684 260 HA PRO 34 HA PRO 34 6.672 -4.561 -6.741 261 HB2 PRO 34 2HB PRO 34 4.167 -4.691 -7.755 262 HB3 PRO 34 1HB PRO 34 5.434 -5.841 -8.202 263 HG2 PRO 34 2HG PRO 34 3.201 -6.154 -6.235 264 HG3 PRO 34 1HG PRO 34 3.804 -7.309 -7.437 265 HD2 PRO 34 2HD PRO 34 4.479 -7.431 -4.808 266 HD3 PRO 34 1HD PRO 34 5.559 -7.973 -6.106 267 H GLU 35 H GLU 35 4.633 -4.838 -4.030 268 HA GLU 35 HA GLU 35 3.040 -2.560 -4.211 269 HB2 GLU 35 2HB GLU 35 4.254 -3.717 -1.698 270 HB3 GLU 35 1HB GLU 35 2.833 -2.685 -1.788 271 HG2 GLU 35 2HG GLU 35 3.141 -5.540 -2.620 272 HG3 GLU 35 1HG GLU 35 1.963 -4.821 -1.523 273 H GLN 36 H GLN 36 6.359 -2.935 -3.035 274 HA GLN 36 HA GLN 36 6.546 -0.150 -2.308 275 HB2 GLN 36 2HB GLN 36 8.877 -0.647 -1.766 276 HB3 GLN 36 1HB GLN 36 7.797 -1.833 -1.046 277 HG2 GLN 36 2HG GLN 36 8.660 -3.527 -2.230 278 HG3 GLN 36 1HG GLN 36 8.822 -2.556 -3.694 279 HE21 GLN 36 1HE2 GLN 36 10.332 -3.554 -0.737 280 HE22 GLN 36 2HE2 GLN 36 11.917 -2.984 -1.111 281 H VAL 37 H VAL 37 6.272 -1.482 -5.171 282 HA VAL 37 HA VAL 37 8.290 0.215 -6.476 283 HB VAL 37 HB VAL 37 6.861 -2.170 -7.664 284 HG11 VAL 37 1HG1 VAL 37 9.210 -0.572 -8.682 285 HG12 VAL 37 2HG1 VAL 37 7.564 -0.506 -9.314 286 HG13 VAL 37 3HG1 VAL 37 8.504 -1.991 -9.458 287 HG21 VAL 37 3HG2 VAL 37 8.347 -2.892 -5.887 288 HG22 VAL 37 1HG2 VAL 37 9.668 -1.956 -6.585 289 HG23 VAL 37 2HG2 VAL 37 9.010 -3.338 -7.458 290 H VAL 38 H VAL 38 4.906 -0.874 -6.624 291 HA VAL 38 HA VAL 38 4.348 1.310 -8.492 292 HB VAL 38 HB VAL 38 3.523 -0.811 -9.249 293 HG11 VAL 38 1HG1 VAL 38 3.326 -1.995 -7.152 294 HG12 VAL 38 2HG1 VAL 38 1.798 -2.067 -8.030 295 HG13 VAL 38 3HG1 VAL 38 1.982 -0.964 -6.666 296 HG21 VAL 38 3HG2 VAL 38 1.110 -0.295 -9.495 297 HG22 VAL 38 1HG2 VAL 38 2.166 1.073 -9.842 298 HG23 VAL 38 2HG2 VAL 38 1.305 0.992 -8.308 299 H ALA 39 H ALA 39 3.132 0.046 -5.369 300 HA ALA 39 HA ALA 39 1.160 2.024 -5.023 301 HB1 ALA 39 3HB ALA 39 1.274 -0.104 -3.745 302 HB2 ALA 39 1HB ALA 39 1.030 1.321 -2.735 303 HB3 ALA 39 2HB ALA 39 2.619 0.566 -2.827 304 H ILE 40 H ILE 40 4.454 1.824 -3.704 305 HA ILE 40 HA ILE 40 4.432 4.285 -2.371 306 HB ILE 40 HB ILE 40 6.747 2.755 -3.565 307 HG12 ILE 40 2HG1 ILE 40 5.531 1.595 -1.770 308 HG13 ILE 40 1HG1 ILE 40 7.156 2.039 -1.264 309 HG21 ILE 40 1HG2 ILE 40 7.371 5.096 -3.348 310 HG22 ILE 40 2HG2 ILE 40 8.211 4.119 -2.144 311 HG23 ILE 40 3HG2 ILE 40 6.827 5.103 -1.671 312 HD11 ILE 40 3HD1 ILE 40 4.574 3.367 -0.488 313 HD12 ILE 40 1HD1 ILE 40 6.171 4.021 -0.119 314 HD13 ILE 40 2HD1 ILE 40 5.681 2.462 0.544 315 H ALA 41 H ALA 41 5.424 3.438 -5.662 316 HA ALA 41 HA ALA 41 6.337 5.960 -6.460 317 HB1 ALA 41 3HB ALA 41 6.826 3.975 -7.743 318 HB2 ALA 41 1HB ALA 41 5.984 5.143 -8.760 319 HB3 ALA 41 2HB ALA 41 5.116 3.753 -8.109 320 H SER 42 H SER 42 3.091 4.580 -6.446 321 HA SER 42 HA SER 42 1.864 6.600 -7.991 322 HB2 SER 42 2HB SER 42 0.621 4.826 -5.875 323 HB3 SER 42 1HB SER 42 -0.251 5.726 -7.114 324 HG SER 42 HG SER 42 1.699 3.727 -7.663 325 H HIS 43 H HIS 43 2.460 6.287 -4.526 326 HA HIS 43 HA HIS 43 0.958 8.671 -3.900 327 HB2 HIS 43 2HB HIS 43 0.984 6.896 -2.273 328 HB3 HIS 43 1HB HIS 43 2.742 6.909 -2.218 329 HD1 HIS 43 HD1 HIS 43 -0.260 8.962 -1.128 330 HD2 HIS 43 HD2 HIS 43 3.854 8.735 -0.465 331 HE1 HIS 43 HE1 HIS 43 0.212 10.507 0.795 332 HE2 HIS 43 HE2 HIS 43 2.674 10.253 1.263 333 H ASP 44 H ASP 44 4.359 7.761 -4.144 334 HA ASP 44 HA ASP 44 5.345 10.287 -3.243 335 HB2 ASP 44 2HB ASP 44 6.616 8.143 -3.103 336 HB3 ASP 44 1HB ASP 44 6.797 8.180 -4.854 337 H GLY 45 H GLY 45 5.159 8.778 -6.466 338 HA2 GLY 45 2HA GLY 45 5.621 11.456 -7.619 339 HA3 GLY 45 1HA GLY 45 6.009 9.940 -8.422 340 H GLY 46 H GLY 46 3.259 11.734 -7.077 341 HA2 GLY 46 2HA GLY 46 1.699 11.963 -9.272 342 HA3 GLY 46 1HA GLY 46 1.380 10.318 -8.748 343 H LYS 47 H LYS 47 1.294 10.475 -6.074 344 HA LYS 47 HA LYS 47 -0.986 12.267 -5.609 345 HB2 LYS 47 2HB LYS 47 -0.378 9.503 -4.898 346 HB3 LYS 47 1HB LYS 47 -0.918 10.448 -3.518 347 HG2 LYS 47 2HG LYS 47 -2.980 10.976 -4.609 348 HG3 LYS 47 1HG LYS 47 -2.415 10.267 -6.124 349 HD2 LYS 47 2HD LYS 47 -2.539 8.091 -5.293 350 HD3 LYS 47 1HD LYS 47 -2.560 8.632 -3.614 351 HE2 LYS 47 2HE LYS 47 -4.797 9.759 -4.268 352 HE3 LYS 47 1HE LYS 47 -4.766 8.649 -5.636 353 HZ1 LYS 47 3HZ LYS 47 -4.612 7.861 -2.776 354 HZ2 LYS 47 1HZ LYS 47 -4.616 6.803 -4.101 355 HZ3 LYS 47 2HZ LYS 47 -5.987 7.732 -3.760 356 H GLN 48 H GLN 48 1.826 13.076 -5.386 357 HA GLN 48 HA GLN 48 2.437 13.219 -2.584 358 HB2 GLN 48 2HB GLN 48 4.111 13.268 -4.525 359 HB3 GLN 48 1HB GLN 48 3.638 14.948 -4.738 360 HG2 GLN 48 2HG GLN 48 5.620 14.908 -3.430 361 HG3 GLN 48 1HG GLN 48 4.284 15.363 -2.376 362 HE21 GLN 48 1HE2 GLN 48 6.605 12.899 -3.159 363 HE22 GLN 48 2HE2 GLN 48 6.366 11.944 -1.739 364 H ALA 49 H ALA 49 1.202 15.418 -5.048 365 HA ALA 49 HA ALA 49 0.466 17.328 -2.932 366 HB1 ALA 49 3HB ALA 49 0.384 19.025 -4.667 367 HB2 ALA 49 1HB ALA 49 0.717 17.811 -5.901 368 HB3 ALA 49 2HB ALA 49 1.946 18.205 -4.699 369 H LEU 50 H LEU 50 -0.859 14.814 -4.348 370 HA LEU 50 HA LEU 50 -3.493 16.095 -4.669 371 HB2 LEU 50 2HB LEU 50 -2.254 13.812 -6.176 372 HB3 LEU 50 1HB LEU 50 -3.991 14.013 -6.109 373 HG LEU 50 HG LEU 50 -3.443 15.009 -8.121 374 HD11 LEU 50 1HD1 LEU 50 -3.219 17.369 -6.277 375 HD12 LEU 50 2HD1 LEU 50 -4.732 16.526 -6.604 376 HD13 LEU 50 3HD1 LEU 50 -3.869 17.330 -7.915 377 HD21 LEU 50 3HD2 LEU 50 -1.527 16.464 -8.499 378 HD22 LEU 50 1HD2 LEU 50 -1.022 14.891 -7.884 379 HD23 LEU 50 2HD2 LEU 50 -1.052 16.289 -6.810 380 H GLU 51 H GLU 51 -2.012 14.741 -2.358 381 HA GLU 51 HA GLU 51 -4.303 13.296 -1.362 382 HB2 GLU 51 2HB GLU 51 -2.838 11.608 -2.594 383 HB3 GLU 51 1HB GLU 51 -1.629 11.889 -1.349 384 HG2 GLU 51 2HG GLU 51 -3.001 10.978 0.330 385 HG3 GLU 51 1HG GLU 51 -4.430 11.029 -0.700 Start of MODEL 3 1 H1 GLU 1 1HT GLU 1 -13.732 -1.213 -0.248 2 H2 GLU 1 2HT GLU 1 -14.392 -2.101 1.035 3 H3 GLU 1 3HT GLU 1 -13.562 -2.899 -0.202 4 HA GLU 1 HA GLU 1 -11.510 -1.905 0.421 5 HB2 GLU 1 2HB GLU 1 -13.237 -0.445 2.414 6 HB3 GLU 1 1HB GLU 1 -11.505 -0.619 2.639 7 HG2 GLU 1 2HG GLU 1 -11.807 1.492 1.672 8 HG3 GLU 1 1HG GLU 1 -11.240 0.456 0.360 9 H GLN 2 H GLN 2 -10.330 -3.391 1.375 10 HA GLN 2 HA GLN 2 -11.604 -5.275 3.182 11 HB2 GLN 2 2HB GLN 2 -9.428 -6.538 2.931 12 HB3 GLN 2 1HB GLN 2 -10.351 -6.323 1.454 13 HG2 GLN 2 2HG GLN 2 -8.103 -4.489 2.201 14 HG3 GLN 2 1HG GLN 2 -7.832 -6.002 1.339 15 HE21 GLN 2 1HE2 GLN 2 -7.288 -3.333 0.422 16 HE22 GLN 2 2HE2 GLN 2 -8.256 -3.076 -0.990 17 H VAL 3 H VAL 3 -9.915 -6.140 4.936 18 HA VAL 3 HA VAL 3 -9.804 -4.229 6.936 19 HB VAL 3 HB VAL 3 -8.165 -5.777 8.079 20 HG11 VAL 3 1HG1 VAL 3 -10.533 -5.924 8.481 21 HG12 VAL 3 2HG1 VAL 3 -9.854 -7.548 8.387 22 HG13 VAL 3 3HG1 VAL 3 -10.755 -6.889 7.024 23 HG21 VAL 3 3HG2 VAL 3 -8.617 -7.397 5.575 24 HG22 VAL 3 1HG2 VAL 3 -7.925 -8.031 7.065 25 HG23 VAL 3 2HG2 VAL 3 -7.081 -6.769 6.169 26 H VAL 4 H VAL 4 -7.269 -5.118 4.633 27 HA VAL 4 HA VAL 4 -5.224 -3.609 5.920 28 HB VAL 4 HB VAL 4 -3.849 -4.007 4.001 29 HG11 VAL 4 1HG1 VAL 4 -4.368 -5.917 5.501 30 HG12 VAL 4 2HG1 VAL 4 -3.919 -6.402 3.867 31 HG13 VAL 4 3HG1 VAL 4 -5.610 -6.426 4.359 32 HG21 VAL 4 3HG2 VAL 4 -6.245 -5.053 2.508 33 HG22 VAL 4 1HG2 VAL 4 -4.616 -4.780 1.889 34 HG23 VAL 4 2HG2 VAL 4 -5.637 -3.409 2.327 35 H ALA 5 H ALA 5 -7.904 -2.637 4.144 36 HA ALA 5 HA ALA 5 -6.616 -0.191 3.177 37 HB1 ALA 5 3HB ALA 5 -9.384 -1.284 2.677 38 HB2 ALA 5 1HB ALA 5 -8.023 -1.296 1.553 39 HB3 ALA 5 2HB ALA 5 -8.767 0.233 2.024 40 H ILE 6 H ILE 6 -9.075 -1.364 5.391 41 HA ILE 6 HA ILE 6 -10.145 1.095 6.212 42 HB ILE 6 HB ILE 6 -9.842 -1.419 7.869 43 HG12 ILE 6 2HG1 ILE 6 -12.209 -0.548 6.197 44 HG13 ILE 6 1HG1 ILE 6 -10.996 -1.697 5.642 45 HG21 ILE 6 1HG2 ILE 6 -11.752 0.899 8.143 46 HG22 ILE 6 2HG2 ILE 6 -10.394 0.543 9.210 47 HG23 ILE 6 3HG2 ILE 6 -11.766 -0.566 9.124 48 HD11 ILE 6 3HD1 ILE 6 -12.770 -2.050 8.046 49 HD12 ILE 6 1HD1 ILE 6 -11.588 -3.212 7.445 50 HD13 ILE 6 2HD1 ILE 6 -13.001 -2.807 6.470 51 H ALA 7 H ALA 7 -7.509 -0.855 7.595 52 HA ALA 7 HA ALA 7 -6.857 0.861 9.713 53 HB1 ALA 7 3HB ALA 7 -5.013 -0.975 8.195 54 HB2 ALA 7 1HB ALA 7 -6.059 -1.452 9.530 55 HB3 ALA 7 2HB ALA 7 -4.739 -0.317 9.805 56 H SER 8 H SER 8 -5.835 0.826 6.355 57 HA SER 8 HA SER 8 -3.805 2.780 6.591 58 HB2 SER 8 2HB SER 8 -5.448 1.992 4.170 59 HB3 SER 8 1HB SER 8 -3.948 2.916 4.137 60 HG SER 8 HG SER 8 -4.363 0.195 4.650 61 H ASN 9 H ASN 9 -7.261 2.930 6.044 62 HA ASN 9 HA ASN 9 -7.321 5.701 5.342 63 HB2 ASN 9 2HB ASN 9 -9.085 4.083 4.669 64 HB3 ASN 9 1HB ASN 9 -9.564 3.934 6.355 65 HD21 ASN 9 1HD2 ASN 9 -8.591 6.939 4.807 66 HD22 ASN 9 2HD2 ASN 9 -10.144 7.689 4.896 67 H ILE 10 H ILE 10 -7.824 3.859 8.312 68 HA ILE 10 HA ILE 10 -8.606 6.068 9.916 69 HB ILE 10 HB ILE 10 -7.393 3.432 10.767 70 HG12 ILE 10 2HG1 ILE 10 -9.488 3.132 9.557 71 HG13 ILE 10 1HG1 ILE 10 -9.727 2.798 11.267 72 HG21 ILE 10 1HG2 ILE 10 -8.895 5.474 12.402 73 HG22 ILE 10 2HG2 ILE 10 -7.164 5.150 12.493 74 HG23 ILE 10 3HG2 ILE 10 -8.320 3.905 12.970 75 HD11 ILE 10 3HD1 ILE 10 -10.707 5.050 11.531 76 HD12 ILE 10 1HD1 ILE 10 -11.604 4.027 10.409 77 HD13 ILE 10 2HD1 ILE 10 -10.543 5.294 9.791 78 H GLY 11 H GLY 11 -5.503 4.476 9.304 79 HA2 GLY 11 2HA GLY 11 -4.073 6.208 11.106 80 HA3 GLY 11 1HA GLY 11 -3.366 5.037 10.004 81 H GLY 12 H GLY 12 -5.300 6.659 8.040 82 HA2 GLY 12 2HA GLY 12 -5.138 8.587 6.737 83 HA3 GLY 12 1HA GLY 12 -3.772 9.098 7.717 84 H LYS 13 H LYS 13 -2.406 6.550 7.351 85 HA LYS 13 HA LYS 13 -0.963 7.180 4.972 86 HB2 LYS 13 2HB LYS 13 -0.765 5.013 7.050 87 HB3 LYS 13 1HB LYS 13 0.242 4.987 5.610 88 HG2 LYS 13 2HG LYS 13 1.376 6.932 6.229 89 HG3 LYS 13 1HG LYS 13 0.143 7.377 7.412 90 HD2 LYS 13 2HD LYS 13 1.639 4.812 7.740 91 HD3 LYS 13 1HD LYS 13 2.411 6.334 8.199 92 HE2 LYS 13 2HE LYS 13 0.837 6.772 9.855 93 HE3 LYS 13 1HE LYS 13 -0.347 5.672 9.151 94 HZ1 LYS 13 3HZ LYS 13 0.733 3.826 10.000 95 HZ2 LYS 13 1HZ LYS 13 0.891 4.952 11.255 96 HZ3 LYS 13 2HZ LYS 13 2.199 4.644 10.232 97 H GLN 14 H GLN 14 -3.035 6.925 3.674 98 HA GLN 14 HA GLN 14 -4.332 4.572 3.117 99 HB2 GLN 14 2HB GLN 14 -3.591 6.781 1.202 100 HB3 GLN 14 1HB GLN 14 -4.773 5.527 0.865 101 HG2 GLN 14 2HG GLN 14 -6.062 6.323 2.852 102 HG3 GLN 14 1HG GLN 14 -4.930 7.674 2.963 103 HE21 GLN 14 1HE2 GLN 14 -7.540 6.262 1.180 104 HE22 GLN 14 2HE2 GLN 14 -7.867 7.625 0.173 105 H ALA 15 H ALA 15 -1.489 5.804 1.345 106 HA ALA 15 HA ALA 15 -1.120 3.099 0.260 107 HB1 ALA 15 3HB ALA 15 -0.244 5.796 -0.731 108 HB2 ALA 15 1HB ALA 15 -1.350 4.654 -1.495 109 HB3 ALA 15 2HB ALA 15 0.374 4.285 -1.403 110 H LEU 16 H LEU 16 -0.297 3.879 2.945 111 HA LEU 16 HA LEU 16 2.563 3.298 2.640 112 HB2 LEU 16 2HB LEU 16 1.324 5.561 4.036 113 HB3 LEU 16 1HB LEU 16 2.517 4.696 4.986 114 HG LEU 16 HG LEU 16 3.012 5.894 2.253 115 HD11 LEU 16 1HD1 LEU 16 3.817 6.843 4.999 116 HD12 LEU 16 2HD1 LEU 16 2.675 7.629 3.911 117 HD13 LEU 16 3HD1 LEU 16 4.380 7.529 3.476 118 HD21 LEU 16 3HD2 LEU 16 5.376 5.447 2.779 119 HD22 LEU 16 1HD2 LEU 16 4.424 3.968 2.652 120 HD23 LEU 16 2HD2 LEU 16 4.874 4.595 4.238 121 H GLU 17 H GLU 17 -0.341 3.061 4.624 122 HA GLU 17 HA GLU 17 0.912 1.307 6.530 123 HB2 GLU 17 2HB GLU 17 -1.233 2.870 6.732 124 HB3 GLU 17 1HB GLU 17 -2.048 1.402 6.209 125 HG2 GLU 17 2HG GLU 17 -2.113 1.405 8.560 126 HG3 GLU 17 1HG GLU 17 -0.887 0.221 8.100 127 H THR 18 H THR 18 -1.334 0.996 3.836 128 HA THR 18 HA THR 18 -1.713 -1.775 4.010 129 HB THR 18 HB THR 18 -2.935 0.148 2.625 130 HG1 THR 18 HG1 THR 18 -3.879 -1.834 2.877 131 HG21 THR 18 3HG2 THR 18 -2.562 -0.127 0.216 132 HG22 THR 18 1HG2 THR 18 -1.185 -1.176 0.553 133 HG23 THR 18 2HG2 THR 18 -1.137 0.521 1.026 134 H VAL 19 H VAL 19 0.877 0.120 2.624 135 HA VAL 19 HA VAL 19 1.873 -1.977 0.945 136 HB VAL 19 HB VAL 19 2.273 0.546 0.654 137 HG11 VAL 19 1HG1 VAL 19 4.352 1.398 1.646 138 HG12 VAL 19 2HG1 VAL 19 4.468 -0.063 2.624 139 HG13 VAL 19 3HG1 VAL 19 3.125 1.051 2.861 140 HG21 VAL 19 3HG2 VAL 19 4.492 0.137 -0.389 141 HG22 VAL 19 1HG2 VAL 19 3.271 -1.065 -0.814 142 HG23 VAL 19 2HG2 VAL 19 4.512 -1.448 0.380 143 H GLN 20 H GLN 20 2.098 -1.280 4.282 144 HA GLN 20 HA GLN 20 4.531 -2.857 4.596 145 HB2 GLN 20 2HB GLN 20 4.155 -0.737 5.905 146 HB3 GLN 20 1HB GLN 20 2.864 -1.568 6.761 147 HG2 GLN 20 2HG GLN 20 4.960 -1.534 8.022 148 HG3 GLN 20 1HG GLN 20 4.426 -3.171 7.650 149 HE21 GLN 20 1HE2 GLN 20 6.529 -3.964 7.950 150 HE22 GLN 20 2HE2 GLN 20 7.784 -3.693 6.788 151 H ARG 21 H ARG 21 1.083 -3.047 5.061 152 HA ARG 21 HA ARG 21 1.181 -5.476 6.595 153 HB2 ARG 21 2HB ARG 21 -0.673 -3.965 6.938 154 HB3 ARG 21 1HB ARG 21 -1.106 -4.041 5.237 155 HG2 ARG 21 2HG ARG 21 -2.640 -5.381 6.474 156 HG3 ARG 21 1HG ARG 21 -1.607 -6.454 5.530 157 HD2 ARG 21 2HD ARG 21 -0.180 -6.395 7.780 158 HD3 ARG 21 1HD ARG 21 -1.768 -6.061 8.466 159 HE ARG 21 HE ARG 21 -1.688 -8.317 6.675 160 HH11 ARG 21 1HH1 ARG 21 -1.357 -7.232 9.982 161 HH12 ARG 21 2HH1 ARG 21 -1.658 -8.797 10.665 162 HH21 ARG 21 1HH2 ARG 21 -2.055 -10.402 7.574 163 HH22 ARG 21 2HH2 ARG 21 -2.052 -10.598 9.291 164 H LEU 22 H LEU 22 0.583 -4.622 3.213 165 HA LEU 22 HA LEU 22 -0.011 -7.337 2.459 166 HB2 LEU 22 2HB LEU 22 0.564 -4.874 0.818 167 HB3 LEU 22 1HB LEU 22 0.111 -6.426 0.136 168 HG LEU 22 HG LEU 22 -1.605 -4.772 1.997 169 HD11 LEU 22 1HD1 LEU 22 -1.778 -5.221 -0.976 170 HD12 LEU 22 2HD1 LEU 22 -1.398 -3.707 -0.160 171 HD13 LEU 22 3HD1 LEU 22 -3.001 -4.419 0.007 172 HD21 LEU 22 3HD2 LEU 22 -2.143 -7.348 0.524 173 HD22 LEU 22 1HD2 LEU 22 -3.371 -6.381 1.338 174 HD23 LEU 22 2HD2 LEU 22 -2.070 -7.117 2.272 175 H LEU 23 H LEU 23 2.803 -5.504 2.942 176 HA LEU 23 HA LEU 23 4.585 -6.474 1.076 177 HB2 LEU 23 2HB LEU 23 5.116 -4.656 2.591 178 HB3 LEU 23 1HB LEU 23 5.102 -5.751 3.959 179 HG LEU 23 HG LEU 23 7.014 -6.977 2.725 180 HD11 LEU 23 1HD1 LEU 23 8.368 -5.498 1.296 181 HD12 LEU 23 2HD1 LEU 23 7.070 -4.305 1.339 182 HD13 LEU 23 3HD1 LEU 23 6.796 -5.874 0.585 183 HD21 LEU 23 3HD2 LEU 23 7.411 -4.234 3.906 184 HD22 LEU 23 1HD2 LEU 23 8.665 -5.462 3.720 185 HD23 LEU 23 2HD2 LEU 23 7.302 -5.750 4.801 186 HA PRO 24 HA PRO 24 5.899 -10.139 3.986 187 HB2 PRO 24 2HB PRO 24 4.024 -10.915 5.842 188 HB3 PRO 24 1HB PRO 24 5.410 -9.880 6.201 189 HG2 PRO 24 2HG PRO 24 2.569 -9.122 5.641 190 HG3 PRO 24 1HG PRO 24 3.684 -8.475 6.861 191 HD2 PRO 24 2HD PRO 24 3.183 -7.150 4.586 192 HD3 PRO 24 1HD PRO 24 4.801 -7.153 5.320 193 H VAL 25 H VAL 25 2.516 -9.633 3.181 194 HA VAL 25 HA VAL 25 1.867 -12.366 2.747 195 HB VAL 25 HB VAL 25 0.545 -9.911 1.573 196 HG11 VAL 25 1HG1 VAL 25 -0.079 -11.941 0.398 197 HG12 VAL 25 2HG1 VAL 25 -1.433 -11.362 1.368 198 HG13 VAL 25 3HG1 VAL 25 -0.470 -12.730 1.923 199 HG21 VAL 25 3HG2 VAL 25 -0.101 -11.423 4.104 200 HG22 VAL 25 1HG2 VAL 25 -1.025 -10.077 3.438 201 HG23 VAL 25 2HG2 VAL 25 0.623 -9.819 4.014 202 H LEU 26 H LEU 26 2.628 -9.701 0.519 203 HA LEU 26 HA LEU 26 2.638 -11.369 -1.787 204 HB2 LEU 26 2HB LEU 26 3.341 -8.549 -1.180 205 HB3 LEU 26 1HB LEU 26 4.007 -9.245 -2.642 206 HG LEU 26 HG LEU 26 1.962 -8.030 -3.136 207 HD11 LEU 26 1HD1 LEU 26 0.839 -9.682 -4.417 208 HD12 LEU 26 2HD1 LEU 26 1.386 -10.974 -3.351 209 HD13 LEU 26 3HD1 LEU 26 2.547 -10.128 -4.374 210 HD21 LEU 26 3HD2 LEU 26 0.859 -8.225 -0.970 211 HD22 LEU 26 1HD2 LEU 26 0.609 -9.949 -1.243 212 HD23 LEU 26 2HD2 LEU 26 -0.202 -8.767 -2.268 213 H CYS 27 H CYS 27 5.079 -10.347 0.502 214 HA CYS 27 HA CYS 27 7.290 -11.153 -1.096 215 HB2 CYS 27 2HB CYS 27 7.022 -10.561 1.841 216 HB3 CYS 27 1HB CYS 27 8.545 -11.056 1.110 217 HG CYS 27 HG CYS 27 6.772 -8.238 0.319 218 H GLN 28 H GLN 28 5.316 -12.769 1.326 219 HA GLN 28 HA GLN 28 7.015 -15.073 1.473 220 HB2 GLN 28 2HB GLN 28 5.382 -14.303 3.258 221 HB3 GLN 28 1HB GLN 28 4.096 -14.919 2.227 222 HG2 GLN 28 2HG GLN 28 5.174 -17.150 2.307 223 HG3 GLN 28 1HG GLN 28 6.330 -16.500 3.468 224 HE21 GLN 28 1HE2 GLN 28 5.677 -16.065 5.546 225 HE22 GLN 28 2HE2 GLN 28 4.166 -16.608 6.185 226 H ALA 29 H ALA 29 4.302 -14.050 -0.452 227 HA ALA 29 HA ALA 29 3.780 -16.624 -1.598 228 HB1 ALA 29 3HB ALA 29 2.269 -15.431 -3.090 229 HB2 ALA 29 1HB ALA 29 2.908 -13.888 -2.519 230 HB3 ALA 29 2HB ALA 29 2.022 -14.941 -1.413 231 H HIS 30 H HIS 30 5.113 -13.603 -2.982 232 HA HIS 30 HA HIS 30 6.459 -15.289 -4.990 233 HB2 HIS 30 2HB HIS 30 5.126 -12.633 -5.190 234 HB3 HIS 30 1HB HIS 30 6.512 -12.947 -6.226 235 HD1 HIS 30 HD1 HIS 30 3.147 -12.853 -6.674 236 HD2 HIS 30 HD2 HIS 30 5.886 -15.925 -7.257 237 HE1 HIS 30 HE1 HIS 30 2.070 -14.417 -8.319 238 HE2 HIS 30 HE2 HIS 30 3.820 -16.159 -8.793 239 H GLY 31 H GLY 31 6.837 -12.268 -3.126 240 HA2 GLY 31 2HA GLY 31 8.794 -11.562 -2.037 241 HA3 GLY 31 1HA GLY 31 9.662 -12.876 -2.808 242 H LEU 32 H LEU 32 7.695 -10.754 -4.716 243 HA LEU 32 HA LEU 32 10.145 -9.680 -5.931 244 HB2 LEU 32 2HB LEU 32 7.348 -9.897 -7.040 245 HB3 LEU 32 1HB LEU 32 8.714 -9.211 -7.895 246 HG LEU 32 HG LEU 32 8.605 -12.072 -6.946 247 HD11 LEU 32 1HD1 LEU 32 8.169 -12.648 -9.289 248 HD12 LEU 32 2HD1 LEU 32 7.997 -10.937 -9.668 249 HD13 LEU 32 3HD1 LEU 32 6.852 -11.714 -8.576 250 HD21 LEU 32 3HD2 LEU 32 10.449 -10.620 -8.832 251 HD22 LEU 32 1HD2 LEU 32 10.452 -12.365 -8.559 252 HD23 LEU 32 2HD2 LEU 32 10.857 -11.263 -7.240 253 H THR 33 H THR 33 7.999 -8.792 -3.699 254 HA THR 33 HA THR 33 7.041 -6.885 -2.918 255 HB THR 33 HB THR 33 8.670 -4.830 -3.210 256 HG1 THR 33 HG1 THR 33 9.872 -6.266 -4.843 257 HG21 THR 33 3HG2 THR 33 8.256 -6.099 -1.138 258 HG22 THR 33 1HG2 THR 33 9.944 -5.620 -1.302 259 HG23 THR 33 2HG2 THR 33 9.463 -7.283 -1.636 260 HA PRO 34 HA PRO 34 5.585 -5.241 -6.980 261 HB2 PRO 34 2HB PRO 34 3.011 -6.384 -6.542 262 HB3 PRO 34 1HB PRO 34 4.214 -6.870 -7.733 263 HG2 PRO 34 2HG PRO 34 3.409 -8.408 -5.579 264 HG3 PRO 34 1HG PRO 34 4.927 -8.618 -6.469 265 HD2 PRO 34 2HD PRO 34 4.425 -7.237 -3.864 266 HD3 PRO 34 1HD PRO 34 5.804 -8.242 -4.365 267 H GLU 35 H GLU 35 4.340 -5.263 -3.746 268 HA GLU 35 HA GLU 35 2.270 -3.358 -4.126 269 HB2 GLU 35 2HB GLU 35 2.132 -3.253 -1.717 270 HB3 GLU 35 1HB GLU 35 2.335 -4.925 -2.211 271 HG2 GLU 35 2HG GLU 35 4.462 -3.132 -1.055 272 HG3 GLU 35 1HG GLU 35 3.634 -4.449 -0.229 273 H GLN 36 H GLN 36 5.682 -3.109 -3.210 274 HA GLN 36 HA GLN 36 5.581 -0.322 -2.653 275 HB2 GLN 36 2HB GLN 36 7.865 -2.190 -3.275 276 HB3 GLN 36 1HB GLN 36 8.103 -0.483 -2.917 277 HG2 GLN 36 2HG GLN 36 6.845 -0.907 -0.760 278 HG3 GLN 36 1HG GLN 36 7.017 -2.625 -1.115 279 HE21 GLN 36 1HE2 GLN 36 8.259 -2.925 0.734 280 HE22 GLN 36 2HE2 GLN 36 9.901 -2.391 0.838 281 H VAL 37 H VAL 37 5.847 -2.141 -5.584 282 HA VAL 37 HA VAL 37 6.961 0.010 -7.138 283 HB VAL 37 HB VAL 37 5.573 -2.449 -8.210 284 HG11 VAL 37 1HG1 VAL 37 6.028 -0.685 -9.850 285 HG12 VAL 37 2HG1 VAL 37 7.019 -2.112 -10.151 286 HG13 VAL 37 3HG1 VAL 37 7.729 -0.691 -9.387 287 HG21 VAL 37 3HG2 VAL 37 7.276 -3.134 -6.606 288 HG22 VAL 37 1HG2 VAL 37 8.468 -2.128 -7.426 289 HG23 VAL 37 2HG2 VAL 37 7.771 -3.522 -8.253 290 H VAL 38 H VAL 38 3.807 -0.784 -6.052 291 HA VAL 38 HA VAL 38 2.705 1.033 -8.088 292 HB VAL 38 HB VAL 38 1.772 -1.179 -8.380 293 HG11 VAL 38 1HG1 VAL 38 2.060 -2.053 -6.131 294 HG12 VAL 38 2HG1 VAL 38 0.396 -2.256 -6.682 295 HG13 VAL 38 3HG1 VAL 38 0.794 -0.972 -5.541 296 HG21 VAL 38 3HG2 VAL 38 -0.631 -0.636 -8.177 297 HG22 VAL 38 1HG2 VAL 38 0.318 0.662 -8.899 298 HG23 VAL 38 2HG2 VAL 38 -0.200 0.778 -7.215 299 H ALA 39 H ALA 39 2.378 0.083 -4.659 300 HA ALA 39 HA ALA 39 0.584 2.211 -4.043 301 HB1 ALA 39 3HB ALA 39 0.705 0.150 -2.711 302 HB2 ALA 39 1HB ALA 39 0.927 1.594 -1.723 303 HB3 ALA 39 2HB ALA 39 2.318 0.609 -2.166 304 H ILE 40 H ILE 40 4.044 1.742 -3.290 305 HA ILE 40 HA ILE 40 4.443 4.255 -2.118 306 HB ILE 40 HB ILE 40 6.402 2.452 -3.546 307 HG12 ILE 40 2HG1 ILE 40 5.363 1.525 -1.507 308 HG13 ILE 40 1HG1 ILE 40 7.090 1.795 -1.304 309 HG21 ILE 40 1HG2 ILE 40 8.179 3.733 -2.418 310 HG22 ILE 40 2HG2 ILE 40 6.970 4.891 -1.866 311 HG23 ILE 40 3HG2 ILE 40 7.284 4.701 -3.591 312 HD11 ILE 40 3HD1 ILE 40 5.970 2.467 0.693 313 HD12 ILE 40 1HD1 ILE 40 4.844 3.477 -0.215 314 HD13 ILE 40 2HD1 ILE 40 6.550 3.917 -0.128 315 H ALA 41 H ALA 41 4.890 3.171 -5.458 316 HA ALA 41 HA ALA 41 5.911 5.543 -6.517 317 HB1 ALA 41 3HB ALA 41 5.946 3.396 -7.696 318 HB2 ALA 41 1HB ALA 41 5.253 4.680 -8.688 319 HB3 ALA 41 2HB ALA 41 4.200 3.497 -7.914 320 H SER 42 H SER 42 2.531 4.450 -6.237 321 HA SER 42 HA SER 42 1.459 6.741 -7.540 322 HB2 SER 42 2HB SER 42 0.098 4.780 -5.680 323 HB3 SER 42 1HB SER 42 -0.717 5.932 -6.740 324 HG SER 42 HG SER 42 0.720 3.602 -7.389 325 H HIS 43 H HIS 43 2.405 6.080 -4.256 326 HA HIS 43 HA HIS 43 0.914 8.306 -3.181 327 HB2 HIS 43 2HB HIS 43 1.267 6.485 -1.675 328 HB3 HIS 43 1HB HIS 43 2.999 6.479 -1.981 329 HD1 HIS 43 HD1 HIS 43 0.463 8.978 -0.571 330 HD2 HIS 43 HD2 HIS 43 4.369 7.673 -0.011 331 HE1 HIS 43 HE1 HIS 43 1.335 10.284 1.385 332 HE2 HIS 43 HE2 HIS 43 3.771 9.651 1.540 333 H ASP 44 H ASP 44 4.320 7.566 -3.778 334 HA ASP 44 HA ASP 44 5.279 10.111 -2.962 335 HB2 ASP 44 2HB ASP 44 6.543 7.877 -3.108 336 HB3 ASP 44 1HB ASP 44 6.725 8.243 -4.822 337 H GLY 45 H GLY 45 5.034 8.644 -6.214 338 HA2 GLY 45 2HA GLY 45 5.282 11.347 -7.338 339 HA3 GLY 45 1HA GLY 45 5.537 9.847 -8.217 340 H GLY 46 H GLY 46 2.822 10.839 -6.152 341 HA2 GLY 46 2HA GLY 46 1.103 11.276 -8.417 342 HA3 GLY 46 1HA GLY 46 0.795 9.750 -7.608 343 H LYS 47 H LYS 47 0.735 10.107 -5.070 344 HA LYS 47 HA LYS 47 -1.612 11.555 -4.569 345 HB2 LYS 47 2HB LYS 47 0.363 10.124 -2.873 346 HB3 LYS 47 1HB LYS 47 -0.772 11.206 -2.083 347 HG2 LYS 47 2HG LYS 47 -1.499 8.878 -3.852 348 HG3 LYS 47 1HG LYS 47 -1.594 8.918 -2.088 349 HD2 LYS 47 2HD LYS 47 -3.012 11.155 -2.816 350 HD3 LYS 47 1HD LYS 47 -3.421 10.010 -4.097 351 HE2 LYS 47 2HE LYS 47 -5.004 9.351 -2.626 352 HE3 LYS 47 1HE LYS 47 -3.678 8.419 -1.935 353 HZ1 LYS 47 3HZ LYS 47 -4.654 11.068 -1.029 354 HZ2 LYS 47 1HZ LYS 47 -3.250 10.323 -0.431 355 HZ3 LYS 47 2HZ LYS 47 -4.771 9.602 -0.189 356 H GLN 48 H GLN 48 1.610 12.680 -4.684 357 HA GLN 48 HA GLN 48 1.478 14.762 -2.793 358 HB2 GLN 48 2HB GLN 48 3.169 14.200 -5.190 359 HB3 GLN 48 1HB GLN 48 3.206 15.815 -4.500 360 HG2 GLN 48 2HG GLN 48 3.701 13.323 -2.901 361 HG3 GLN 48 1HG GLN 48 4.980 14.256 -3.678 362 HE21 GLN 48 1HE2 GLN 48 2.656 14.157 -1.107 363 HE22 GLN 48 2HE2 GLN 48 3.242 15.531 -0.239 364 H ALA 49 H ALA 49 -0.025 14.371 -5.839 365 HA ALA 49 HA ALA 49 -0.494 17.212 -6.223 366 HB1 ALA 49 3HB ALA 49 -1.658 16.549 -8.255 367 HB2 ALA 49 1HB ALA 49 -1.532 14.852 -7.793 368 HB3 ALA 49 2HB ALA 49 -0.078 15.773 -8.170 369 H LEU 50 H LEU 50 -1.752 14.907 -4.266 370 HA LEU 50 HA LEU 50 -4.445 16.114 -4.298 371 HB2 LEU 50 2HB LEU 50 -3.632 13.287 -3.607 372 HB3 LEU 50 1HB LEU 50 -5.210 13.950 -3.242 373 HG LEU 50 HG LEU 50 -5.606 12.752 -5.178 374 HD11 LEU 50 1HD1 LEU 50 -6.093 14.297 -6.913 375 HD12 LEU 50 2HD1 LEU 50 -4.872 15.429 -6.329 376 HD13 LEU 50 3HD1 LEU 50 -6.326 15.132 -5.376 377 HD21 LEU 50 3HD2 LEU 50 -4.118 12.763 -7.148 378 HD22 LEU 50 1HD2 LEU 50 -3.346 12.118 -5.698 379 HD23 LEU 50 2HD2 LEU 50 -2.974 13.756 -6.241 380 H GLU 51 H GLU 51 -1.987 14.564 -2.263 381 HA GLU 51 HA GLU 51 -3.187 15.545 0.178 382 HB2 GLU 51 2HB GLU 51 -0.600 14.058 -0.341 383 HB3 GLU 51 1HB GLU 51 -1.228 14.443 1.255 384 HG2 GLU 51 2HG GLU 51 -3.108 13.018 0.949 385 HG3 GLU 51 1HG GLU 51 -2.730 12.788 -0.757 Start of MODEL 4 1 H1 GLU 1 1HT GLU 1 -15.034 -5.133 5.659 2 H2 GLU 1 2HT GLU 1 -15.455 -3.502 5.533 3 H3 GLU 1 3HT GLU 1 -14.344 -4.005 6.704 4 HA GLU 1 HA GLU 1 -13.890 -4.291 3.804 5 HB2 GLU 1 2HB GLU 1 -13.311 -2.032 5.682 6 HB3 GLU 1 1HB GLU 1 -12.177 -2.375 4.382 7 HG2 GLU 1 2HG GLU 1 -15.111 -1.944 3.902 8 HG3 GLU 1 1HG GLU 1 -13.936 -0.628 3.917 9 H GLN 2 H GLN 2 -11.560 -4.597 3.368 10 HA GLN 2 HA GLN 2 -10.488 -6.632 5.034 11 HB2 GLN 2 2HB GLN 2 -10.173 -6.515 2.564 12 HB3 GLN 2 1HB GLN 2 -9.130 -5.119 2.794 13 HG2 GLN 2 2HG GLN 2 -7.527 -6.446 3.985 14 HG3 GLN 2 1HG GLN 2 -8.602 -7.838 3.959 15 HE21 GLN 2 1HE2 GLN 2 -8.213 -5.726 1.201 16 HE22 GLN 2 2HE2 GLN 2 -7.374 -6.866 0.213 17 H VAL 3 H VAL 3 -8.499 -6.614 6.194 18 HA VAL 3 HA VAL 3 -8.137 -4.526 7.965 19 HB VAL 3 HB VAL 3 -5.869 -5.528 8.430 20 HG11 VAL 3 1HG1 VAL 3 -6.799 -7.614 9.336 21 HG12 VAL 3 2HG1 VAL 3 -8.252 -7.373 8.360 22 HG13 VAL 3 3HG1 VAL 3 -7.846 -6.225 9.637 23 HG21 VAL 3 3HG2 VAL 3 -6.725 -7.483 6.296 24 HG22 VAL 3 1HG2 VAL 3 -5.339 -7.669 7.369 25 HG23 VAL 3 2HG2 VAL 3 -5.372 -6.357 6.192 26 H VAL 4 H VAL 4 -6.692 -4.948 4.799 27 HA VAL 4 HA VAL 4 -4.629 -3.027 5.096 28 HB VAL 4 HB VAL 4 -4.282 -3.173 2.751 29 HG11 VAL 4 1HG1 VAL 4 -5.288 -5.844 3.719 30 HG12 VAL 4 2HG1 VAL 4 -3.674 -5.182 3.978 31 HG13 VAL 4 3HG1 VAL 4 -4.212 -5.584 2.349 32 HG21 VAL 4 3HG2 VAL 4 -7.007 -4.439 2.491 33 HG22 VAL 4 1HG2 VAL 4 -5.859 -4.148 1.183 34 HG23 VAL 4 2HG2 VAL 4 -6.596 -2.786 2.030 35 H ALA 5 H ALA 5 -8.015 -2.777 4.495 36 HA ALA 5 HA ALA 5 -7.788 -0.007 3.579 37 HB1 ALA 5 3HB ALA 5 -10.204 -0.182 3.156 38 HB2 ALA 5 1HB ALA 5 -10.184 -1.824 3.794 39 HB3 ALA 5 2HB ALA 5 -9.296 -1.440 2.322 40 H ILE 6 H ILE 6 -8.511 -1.903 6.361 41 HA ILE 6 HA ILE 6 -10.020 0.092 7.758 42 HB ILE 6 HB ILE 6 -8.558 -2.330 8.835 43 HG12 ILE 6 2HG1 ILE 6 -11.499 -1.934 8.236 44 HG13 ILE 6 1HG1 ILE 6 -10.378 -2.827 7.215 45 HG21 ILE 6 1HG2 ILE 6 -8.901 -0.667 10.572 46 HG22 ILE 6 2HG2 ILE 6 -9.969 -2.053 10.824 47 HG23 ILE 6 3HG2 ILE 6 -10.613 -0.553 10.149 48 HD11 ILE 6 3HD1 ILE 6 -10.026 -4.449 8.976 49 HD12 ILE 6 1HD1 ILE 6 -11.744 -4.293 8.610 50 HD13 ILE 6 2HD1 ILE 6 -11.078 -3.531 10.053 51 H ALA 7 H ALA 7 -6.686 -1.109 7.986 52 HA ALA 7 HA ALA 7 -5.806 0.666 9.969 53 HB1 ALA 7 3HB ALA 7 -3.547 0.065 9.256 54 HB2 ALA 7 1HB ALA 7 -4.196 -0.658 7.788 55 HB3 ALA 7 2HB ALA 7 -4.581 -1.359 9.358 56 H SER 8 H SER 8 -5.863 0.951 6.443 57 HA SER 8 HA SER 8 -4.385 3.379 6.345 58 HB2 SER 8 2HB SER 8 -5.498 3.493 4.006 59 HB3 SER 8 1HB SER 8 -4.364 2.183 4.340 60 HG SER 8 HG SER 8 -5.924 0.810 4.071 61 H ASN 9 H ASN 9 -7.799 2.604 6.550 62 HA ASN 9 HA ASN 9 -8.817 5.178 6.014 63 HB2 ASN 9 2HB ASN 9 -9.979 2.792 6.313 64 HB3 ASN 9 1HB ASN 9 -10.248 3.409 7.941 65 HD21 ASN 9 1HD2 ASN 9 -12.474 3.496 7.630 66 HD22 ASN 9 2HD2 ASN 9 -13.219 4.699 6.632 67 H ILE 10 H ILE 10 -7.726 3.611 8.964 68 HA ILE 10 HA ILE 10 -8.500 5.816 10.655 69 HB ILE 10 HB ILE 10 -6.696 3.475 11.301 70 HG12 ILE 10 2HG1 ILE 10 -9.634 3.752 11.947 71 HG13 ILE 10 1HG1 ILE 10 -9.050 2.903 10.519 72 HG21 ILE 10 1HG2 ILE 10 -7.256 3.972 13.630 73 HG22 ILE 10 2HG2 ILE 10 -8.206 5.363 13.106 74 HG23 ILE 10 3HG2 ILE 10 -6.460 5.343 12.852 75 HD11 ILE 10 3HD1 ILE 10 -7.825 1.348 11.951 76 HD12 ILE 10 1HD1 ILE 10 -9.549 1.356 12.322 77 HD13 ILE 10 2HD1 ILE 10 -8.414 2.201 13.374 78 H GLY 11 H GLY 11 -5.433 4.445 9.487 79 HA2 GLY 11 2HA GLY 11 -3.759 6.348 10.731 80 HA3 GLY 11 1HA GLY 11 -3.316 5.315 9.384 81 H GLY 12 H GLY 12 -5.557 6.477 7.744 82 HA2 GLY 12 2HA GLY 12 -6.051 8.450 6.573 83 HA3 GLY 12 1HA GLY 12 -4.734 9.257 7.413 84 H LYS 13 H LYS 13 -3.044 6.832 6.736 85 HA LYS 13 HA LYS 13 -2.066 7.859 4.223 86 HB2 LYS 13 2HB LYS 13 -1.031 5.738 6.107 87 HB3 LYS 13 1HB LYS 13 -0.239 6.148 4.590 88 HG2 LYS 13 2HG LYS 13 0.465 8.198 5.349 89 HG3 LYS 13 1HG LYS 13 -0.824 8.312 6.550 90 HD2 LYS 13 2HD LYS 13 1.304 6.215 6.775 91 HD3 LYS 13 1HD LYS 13 1.589 7.859 7.352 92 HE2 LYS 13 2HE LYS 13 -0.078 7.708 8.977 93 HE3 LYS 13 1HE LYS 13 -0.862 6.344 8.183 94 HZ1 LYS 13 3HZ LYS 13 0.611 4.863 9.059 95 HZ2 LYS 13 1HZ LYS 13 0.612 6.014 10.302 96 HZ3 LYS 13 2HZ LYS 13 1.874 5.989 9.176 97 H GLN 14 H GLN 14 -3.948 7.209 2.990 98 HA GLN 14 HA GLN 14 -4.552 4.424 2.656 99 HB2 GLN 14 2HB GLN 14 -5.421 6.865 1.107 100 HB3 GLN 14 1HB GLN 14 -6.040 5.242 0.828 101 HG2 GLN 14 2HG GLN 14 -6.903 5.171 3.106 102 HG3 GLN 14 1HG GLN 14 -6.279 6.795 3.393 103 HE21 GLN 14 1HE2 GLN 14 -8.679 4.894 1.738 104 HE22 GLN 14 2HE2 GLN 14 -9.732 6.205 1.340 105 H ALA 15 H ALA 15 -2.000 4.443 2.266 106 HA ALA 15 HA ALA 15 -1.621 3.403 -0.338 107 HB1 ALA 15 3HB ALA 15 -0.222 6.024 0.229 108 HB2 ALA 15 1HB ALA 15 -1.498 5.772 -0.964 109 HB3 ALA 15 2HB ALA 15 0.063 4.975 -1.159 110 H LEU 16 H LEU 16 0.092 4.985 2.335 111 HA LEU 16 HA LEU 16 2.289 3.151 2.215 112 HB2 LEU 16 2HB LEU 16 1.598 5.059 4.440 113 HB3 LEU 16 1HB LEU 16 3.163 4.351 4.098 114 HG LEU 16 HG LEU 16 1.738 6.319 2.310 115 HD11 LEU 16 1HD1 LEU 16 4.088 6.735 4.152 116 HD12 LEU 16 2HD1 LEU 16 2.450 7.328 4.428 117 HD13 LEU 16 3HD1 LEU 16 3.388 7.931 3.064 118 HD21 LEU 16 3HD2 LEU 16 3.783 6.402 1.057 119 HD22 LEU 16 1HD2 LEU 16 3.260 4.722 1.168 120 HD23 LEU 16 2HD2 LEU 16 4.572 5.307 2.188 121 H GLU 17 H GLU 17 -0.575 3.538 4.236 122 HA GLU 17 HA GLU 17 0.172 1.565 6.134 123 HB2 GLU 17 2HB GLU 17 -1.715 3.498 6.084 124 HB3 GLU 17 1HB GLU 17 -2.700 2.085 5.726 125 HG2 GLU 17 2HG GLU 17 -2.550 2.683 8.140 126 HG3 GLU 17 1HG GLU 17 -2.082 1.029 7.749 127 H THR 18 H THR 18 -1.779 1.493 3.178 128 HA THR 18 HA THR 18 -2.663 -1.179 3.563 129 HB THR 18 HB THR 18 -3.971 0.258 2.144 130 HG1 THR 18 HG1 THR 18 -3.480 -1.194 0.043 131 HG21 THR 18 3HG2 THR 18 -3.179 1.030 -0.038 132 HG22 THR 18 1HG2 THR 18 -1.581 0.370 0.304 133 HG23 THR 18 2HG2 THR 18 -2.214 1.698 1.274 134 H VAL 19 H VAL 19 0.061 0.262 1.764 135 HA VAL 19 HA VAL 19 0.888 -2.192 0.604 136 HB VAL 19 HB VAL 19 1.585 0.108 -0.192 137 HG11 VAL 19 1HG1 VAL 19 2.267 0.990 2.015 138 HG12 VAL 19 2HG1 VAL 19 3.513 1.168 0.780 139 HG13 VAL 19 3HG1 VAL 19 3.649 -0.106 1.994 140 HG21 VAL 19 3HG2 VAL 19 3.885 -0.652 -0.829 141 HG22 VAL 19 1HG2 VAL 19 2.597 -1.810 -1.164 142 HG23 VAL 19 2HG2 VAL 19 3.648 -2.040 0.233 143 H GLN 20 H GLN 20 1.397 -0.717 3.705 144 HA GLN 20 HA GLN 20 3.634 -2.290 4.492 145 HB2 GLN 20 2HB GLN 20 2.287 -0.108 5.525 146 HB3 GLN 20 1HB GLN 20 1.900 -1.394 6.656 147 HG2 GLN 20 2HG GLN 20 3.827 -0.283 7.461 148 HG3 GLN 20 1HG GLN 20 4.332 -1.859 6.861 149 HE21 GLN 20 1HE2 GLN 20 3.563 0.905 4.840 150 HE22 GLN 20 2HE2 GLN 20 5.169 1.152 4.253 151 H ARG 21 H ARG 21 0.229 -2.798 4.365 152 HA ARG 21 HA ARG 21 0.351 -5.115 6.131 153 HB2 ARG 21 2HB ARG 21 -1.535 -3.456 6.240 154 HB3 ARG 21 1HB ARG 21 -2.037 -4.004 4.648 155 HG2 ARG 21 2HG ARG 21 -3.392 -5.101 6.271 156 HG3 ARG 21 1HG ARG 21 -2.287 -6.299 5.594 157 HD2 ARG 21 2HD ARG 21 -1.046 -5.063 7.851 158 HD3 ARG 21 1HD ARG 21 -2.663 -5.592 8.306 159 HE ARG 21 HE ARG 21 -0.964 -7.509 6.906 160 HH11 ARG 21 1HH1 ARG 21 -2.386 -6.420 9.922 161 HH12 ARG 21 2HH1 ARG 21 -2.061 -7.908 10.756 162 HH21 ARG 21 1HH2 ARG 21 -0.559 -9.467 8.006 163 HH22 ARG 21 2HH2 ARG 21 -1.028 -9.637 9.669 164 H LEU 22 H LEU 22 0.138 -4.291 2.757 165 HA LEU 22 HA LEU 22 -0.518 -6.984 1.929 166 HB2 LEU 22 2HB LEU 22 0.178 -4.473 0.421 167 HB3 LEU 22 1HB LEU 22 -0.086 -6.012 -0.378 168 HG LEU 22 HG LEU 22 -2.145 -4.633 1.345 169 HD11 LEU 22 1HD1 LEU 22 -1.860 -4.679 -1.650 170 HD12 LEU 22 2HD1 LEU 22 -1.671 -3.276 -0.602 171 HD13 LEU 22 3HD1 LEU 22 -3.247 -4.049 -0.764 172 HD21 LEU 22 3HD2 LEU 22 -2.280 -7.007 -0.510 173 HD22 LEU 22 1HD2 LEU 22 -3.683 -6.207 0.197 174 HD23 LEU 22 2HD2 LEU 22 -2.510 -7.005 1.239 175 H LEU 23 H LEU 23 2.303 -5.172 2.585 176 HA LEU 23 HA LEU 23 4.193 -6.289 0.906 177 HB2 LEU 23 2HB LEU 23 4.405 -4.407 2.667 178 HB3 LEU 23 1HB LEU 23 4.806 -5.696 3.783 179 HG LEU 23 HG LEU 23 6.649 -6.336 2.130 180 HD11 LEU 23 1HD1 LEU 23 7.449 -4.512 0.704 181 HD12 LEU 23 2HD1 LEU 23 6.028 -3.560 1.133 182 HD13 LEU 23 3HD1 LEU 23 5.842 -5.058 0.226 183 HD21 LEU 23 3HD2 LEU 23 6.851 -3.660 3.508 184 HD22 LEU 23 1HD2 LEU 23 8.181 -4.746 3.100 185 HD23 LEU 23 2HD2 LEU 23 6.996 -5.221 4.314 186 HA PRO 24 HA PRO 24 5.012 -9.868 4.073 187 HB2 PRO 24 2HB PRO 24 3.055 -10.422 5.882 188 HB3 PRO 24 1HB PRO 24 4.420 -9.355 6.224 189 HG2 PRO 24 2HG PRO 24 1.628 -8.648 5.413 190 HG3 PRO 24 1HG PRO 24 2.647 -7.916 6.667 191 HD2 PRO 24 2HD PRO 24 2.344 -6.766 4.259 192 HD3 PRO 24 1HD PRO 24 3.885 -6.704 5.139 193 H VAL 25 H VAL 25 2.269 -9.161 2.292 194 HA VAL 25 HA VAL 25 1.343 -11.944 2.211 195 HB VAL 25 HB VAL 25 0.125 -9.549 0.820 196 HG11 VAL 25 1HG1 VAL 25 -1.858 -10.969 0.633 197 HG12 VAL 25 2HG1 VAL 25 -0.991 -12.290 1.418 198 HG13 VAL 25 3HG1 VAL 25 -0.467 -11.707 -0.164 199 HG21 VAL 25 3HG2 VAL 25 0.084 -9.200 3.232 200 HG22 VAL 25 1HG2 VAL 25 -0.637 -10.793 3.462 201 HG23 VAL 25 2HG2 VAL 25 -1.539 -9.531 2.625 202 H LEU 26 H LEU 26 2.142 -9.319 -0.061 203 HA LEU 26 HA LEU 26 2.355 -11.023 -2.319 204 HB2 LEU 26 2HB LEU 26 2.915 -8.194 -1.697 205 HB3 LEU 26 1HB LEU 26 3.826 -8.871 -3.032 206 HG LEU 26 HG LEU 26 1.804 -7.734 -3.809 207 HD11 LEU 26 1HD1 LEU 26 0.984 -9.457 -5.250 208 HD12 LEU 26 2HD1 LEU 26 1.548 -10.713 -4.149 209 HD13 LEU 26 3HD1 LEU 26 2.715 -9.706 -5.013 210 HD21 LEU 26 3HD2 LEU 26 0.395 -8.067 -1.848 211 HD22 LEU 26 1HD2 LEU 26 0.319 -9.794 -2.187 212 HD23 LEU 26 2HD2 LEU 26 -0.408 -8.645 -3.305 213 H CYS 27 H CYS 27 4.693 -9.768 0.002 214 HA CYS 27 HA CYS 27 6.952 -10.797 -1.405 215 HB2 CYS 27 2HB CYS 27 6.596 -9.775 1.406 216 HB3 CYS 27 1HB CYS 27 8.142 -10.346 0.788 217 HG CYS 27 HG CYS 27 6.370 -7.755 -0.613 218 H GLN 28 H GLN 28 4.569 -12.263 0.468 219 HA GLN 28 HA GLN 28 6.304 -14.432 1.350 220 HB2 GLN 28 2HB GLN 28 4.287 -13.398 2.668 221 HB3 GLN 28 1HB GLN 28 3.322 -14.460 1.652 222 HG2 GLN 28 2HG GLN 28 3.814 -15.486 3.802 223 HG3 GLN 28 1HG GLN 28 4.550 -16.390 2.478 224 HE21 GLN 28 1HE2 GLN 28 6.763 -16.510 2.327 225 HE22 GLN 28 2HE2 GLN 28 7.822 -15.931 3.569 226 H ALA 29 H ALA 29 3.648 -13.798 -0.887 227 HA ALA 29 HA ALA 29 3.524 -16.506 -1.832 228 HB1 ALA 29 3HB ALA 29 1.939 -15.661 -3.461 229 HB2 ALA 29 1HB ALA 29 2.370 -14.000 -3.046 230 HB3 ALA 29 2HB ALA 29 1.566 -15.025 -1.856 231 H HIS 30 H HIS 30 5.012 -13.504 -2.966 232 HA HIS 30 HA HIS 30 6.320 -15.070 -5.098 233 HB2 HIS 30 2HB HIS 30 5.270 -12.263 -5.081 234 HB3 HIS 30 1HB HIS 30 6.603 -12.691 -6.146 235 HD1 HIS 30 HD1 HIS 30 6.079 -14.106 -8.195 236 HD2 HIS 30 HD2 HIS 30 2.787 -13.472 -5.733 237 HE1 HIS 30 HE1 HIS 30 4.085 -14.884 -9.513 238 HE2 HIS 30 HE2 HIS 30 2.123 -14.624 -7.954 239 H GLY 31 H GLY 31 6.791 -12.166 -3.075 240 HA2 GLY 31 2HA GLY 31 8.669 -11.653 -1.786 241 HA3 GLY 31 1HA GLY 31 9.477 -13.065 -2.450 242 H LEU 32 H LEU 32 7.996 -10.818 -4.627 243 HA LEU 32 HA LEU 32 10.681 -9.955 -5.457 244 HB2 LEU 32 2HB LEU 32 9.045 -11.205 -7.028 245 HB3 LEU 32 1HB LEU 32 8.191 -9.678 -7.110 246 HG LEU 32 HG LEU 32 10.377 -8.640 -7.886 247 HD11 LEU 32 1HD1 LEU 32 11.921 -10.330 -7.192 248 HD12 LEU 32 2HD1 LEU 32 11.949 -10.241 -8.954 249 HD13 LEU 32 3HD1 LEU 32 11.090 -11.553 -8.153 250 HD21 LEU 32 3HD2 LEU 32 8.979 -10.710 -9.571 251 HD22 LEU 32 1HD2 LEU 32 10.089 -9.496 -10.202 252 HD23 LEU 32 2HD2 LEU 32 8.585 -8.998 -9.434 253 H THR 33 H THR 33 8.334 -8.893 -3.563 254 HA THR 33 HA THR 33 7.447 -6.910 -2.885 255 HB THR 33 HB THR 33 9.452 -5.049 -3.604 256 HG1 THR 33 HG1 THR 33 10.737 -6.865 -4.207 257 HG21 THR 33 3HG2 THR 33 9.255 -6.633 -1.045 258 HG22 THR 33 1HG2 THR 33 8.193 -5.286 -1.448 259 HG23 THR 33 2HG2 THR 33 9.925 -5.016 -1.263 260 HA PRO 34 HA PRO 34 6.490 -5.316 -7.178 261 HB2 PRO 34 2HB PRO 34 4.229 -6.576 -7.773 262 HB3 PRO 34 1HB PRO 34 5.781 -7.407 -7.936 263 HG2 PRO 34 2HG PRO 34 3.752 -7.604 -5.746 264 HG3 PRO 34 1HG PRO 34 4.679 -8.896 -6.533 265 HD2 PRO 34 2HD PRO 34 5.337 -7.720 -4.108 266 HD3 PRO 34 1HD PRO 34 6.474 -8.587 -5.159 267 H GLU 35 H GLU 35 5.228 -5.143 -4.130 268 HA GLU 35 HA GLU 35 2.840 -3.624 -4.805 269 HB2 GLU 35 2HB GLU 35 3.654 -3.581 -2.001 270 HB3 GLU 35 1HB GLU 35 2.131 -4.078 -2.715 271 HG2 GLU 35 2HG GLU 35 2.900 -5.989 -1.661 272 HG3 GLU 35 1HG GLU 35 3.351 -6.238 -3.345 273 H GLN 36 H GLN 36 5.763 -3.121 -2.852 274 HA GLN 36 HA GLN 36 5.437 -0.375 -2.458 275 HB2 GLN 36 2HB GLN 36 7.842 -0.347 -1.919 276 HB3 GLN 36 1HB GLN 36 6.999 -1.682 -1.145 277 HG2 GLN 36 2HG GLN 36 8.147 -3.243 -2.290 278 HG3 GLN 36 1HG GLN 36 8.206 -2.276 -3.761 279 HE21 GLN 36 1HE2 GLN 36 9.749 -2.998 -0.746 280 HE22 GLN 36 2HE2 GLN 36 11.231 -2.172 -1.075 281 H VAL 37 H VAL 37 6.836 -2.099 -5.168 282 HA VAL 37 HA VAL 37 8.232 -0.017 -6.383 283 HB VAL 37 HB VAL 37 6.831 -2.378 -7.636 284 HG11 VAL 37 1HG1 VAL 37 7.185 -0.611 -9.299 285 HG12 VAL 37 2HG1 VAL 37 8.223 -2.007 -9.599 286 HG13 VAL 37 3HG1 VAL 37 8.896 -0.551 -8.864 287 HG21 VAL 37 3HG2 VAL 37 8.556 -3.023 -6.081 288 HG22 VAL 37 1HG2 VAL 37 9.696 -1.903 -6.828 289 HG23 VAL 37 2HG2 VAL 37 9.121 -3.305 -7.726 290 H VAL 38 H VAL 38 4.786 -0.834 -6.560 291 HA VAL 38 HA VAL 38 4.426 1.430 -8.391 292 HB VAL 38 HB VAL 38 3.468 -0.657 -9.187 293 HG11 VAL 38 1HG1 VAL 38 3.028 -1.760 -7.069 294 HG12 VAL 38 2HG1 VAL 38 1.572 -1.716 -8.063 295 HG13 VAL 38 3HG1 VAL 38 1.751 -0.596 -6.712 296 HG21 VAL 38 3HG2 VAL 38 1.172 0.119 -9.619 297 HG22 VAL 38 1HG2 VAL 38 2.374 1.393 -9.841 298 HG23 VAL 38 2HG2 VAL 38 1.382 1.362 -8.383 299 H ALA 39 H ALA 39 3.319 0.195 -5.259 300 HA ALA 39 HA ALA 39 1.374 2.180 -4.795 301 HB1 ALA 39 3HB ALA 39 1.479 0.081 -3.549 302 HB2 ALA 39 1HB ALA 39 1.446 1.478 -2.480 303 HB3 ALA 39 2HB ALA 39 2.960 0.624 -2.764 304 H ILE 40 H ILE 40 4.790 2.020 -3.778 305 HA ILE 40 HA ILE 40 4.702 4.505 -2.394 306 HB ILE 40 HB ILE 40 7.118 3.059 -3.500 307 HG12 ILE 40 2HG1 ILE 40 5.888 1.645 -1.943 308 HG13 ILE 40 1HG1 ILE 40 7.376 2.204 -1.188 309 HG21 ILE 40 1HG2 ILE 40 7.566 5.409 -3.009 310 HG22 ILE 40 2HG2 ILE 40 8.397 4.351 -1.869 311 HG23 ILE 40 3HG2 ILE 40 6.928 5.197 -1.379 312 HD11 ILE 40 3HD1 ILE 40 4.597 3.250 -0.688 313 HD12 ILE 40 1HD1 ILE 40 6.070 3.939 -0.005 314 HD13 ILE 40 2HD1 ILE 40 5.589 2.293 0.411 315 H ALA 41 H ALA 41 5.709 3.549 -5.647 316 HA ALA 41 HA ALA 41 6.728 6.027 -6.476 317 HB1 ALA 41 3HB ALA 41 7.128 3.926 -7.683 318 HB2 ALA 41 1HB ALA 41 6.505 5.192 -8.742 319 HB3 ALA 41 2HB ALA 41 5.436 3.901 -8.183 320 H SER 42 H SER 42 3.459 4.655 -6.813 321 HA SER 42 HA SER 42 2.420 6.925 -8.179 322 HB2 SER 42 2HB SER 42 0.876 4.818 -6.655 323 HB3 SER 42 1HB SER 42 0.260 5.876 -7.926 324 HG SER 42 HG SER 42 2.090 3.727 -8.137 325 H HIS 43 H HIS 43 3.230 6.434 -4.932 326 HA HIS 43 HA HIS 43 1.256 8.372 -3.979 327 HB2 HIS 43 2HB HIS 43 1.467 6.498 -2.514 328 HB3 HIS 43 1HB HIS 43 3.222 6.585 -2.542 329 HD1 HIS 43 HD1 HIS 43 0.223 8.077 -0.868 330 HD2 HIS 43 HD2 HIS 43 4.348 8.541 -0.844 331 HE1 HIS 43 HE1 HIS 43 0.737 9.431 1.179 332 HE2 HIS 43 HE2 HIS 43 3.250 9.606 1.236 333 H ASP 44 H ASP 44 4.771 7.867 -3.654 334 HA ASP 44 HA ASP 44 5.244 10.547 -2.836 335 HB2 ASP 44 2HB ASP 44 6.710 8.681 -2.189 336 HB3 ASP 44 1HB ASP 44 7.209 8.498 -3.869 337 H GLY 45 H GLY 45 5.196 8.970 -5.959 338 HA2 GLY 45 2HA GLY 45 6.127 11.511 -7.142 339 HA3 GLY 45 1HA GLY 45 6.367 9.940 -7.889 340 H GLY 46 H GLY 46 3.328 10.508 -6.367 341 HA2 GLY 46 2HA GLY 46 2.121 11.357 -8.890 342 HA3 GLY 46 1HA GLY 46 1.631 9.800 -8.249 343 H LYS 47 H LYS 47 0.726 9.799 -6.046 344 HA LYS 47 HA LYS 47 -1.325 11.780 -5.874 345 HB2 LYS 47 2HB LYS 47 -1.260 9.197 -5.219 346 HB3 LYS 47 1HB LYS 47 -0.896 9.876 -3.636 347 HG2 LYS 47 2HG LYS 47 -2.937 11.269 -3.816 348 HG3 LYS 47 1HG LYS 47 -3.309 10.454 -5.334 349 HD2 LYS 47 2HD LYS 47 -4.570 9.294 -3.752 350 HD3 LYS 47 1HD LYS 47 -3.145 8.280 -3.988 351 HE2 LYS 47 2HE LYS 47 -3.713 8.487 -1.623 352 HE3 LYS 47 1HE LYS 47 -2.145 9.213 -1.966 353 HZ1 LYS 47 3HZ LYS 47 -3.237 10.724 -0.581 354 HZ2 LYS 47 1HZ LYS 47 -4.710 10.579 -1.407 355 HZ3 LYS 47 2HZ LYS 47 -3.414 11.383 -2.130 356 H GLN 48 H GLN 48 1.702 12.332 -5.127 357 HA GLN 48 HA GLN 48 1.662 13.153 -2.419 358 HB2 GLN 48 2HB GLN 48 3.428 13.576 -4.753 359 HB3 GLN 48 1HB GLN 48 3.485 14.838 -3.531 360 HG2 GLN 48 2HG GLN 48 3.652 12.052 -2.565 361 HG3 GLN 48 1HG GLN 48 5.033 12.668 -3.473 362 HE21 GLN 48 1HE2 GLN 48 6.409 12.671 -1.730 363 HE22 GLN 48 2HE2 GLN 48 6.256 13.796 -0.422 364 H ALA 49 H ALA 49 0.845 14.734 -5.445 365 HA ALA 49 HA ALA 49 0.319 17.284 -4.256 366 HB1 ALA 49 3HB ALA 49 -0.551 17.900 -6.440 367 HB2 ALA 49 1HB ALA 49 -0.531 16.211 -6.946 368 HB3 ALA 49 2HB ALA 49 0.985 17.049 -6.613 369 H LEU 50 H LEU 50 -1.401 14.345 -4.659 370 HA LEU 50 HA LEU 50 -3.963 15.641 -4.028 371 HB2 LEU 50 2HB LEU 50 -3.308 12.916 -5.146 372 HB3 LEU 50 1HB LEU 50 -4.905 13.335 -4.568 373 HG LEU 50 HG LEU 50 -5.103 13.623 -6.852 374 HD11 LEU 50 1HD1 LEU 50 -5.296 15.980 -7.296 375 HD12 LEU 50 2HD1 LEU 50 -4.236 16.358 -5.939 376 HD13 LEU 50 3HD1 LEU 50 -5.822 15.642 -5.648 377 HD21 LEU 50 3HD2 LEU 50 -3.415 14.683 -8.281 378 HD22 LEU 50 1HD2 LEU 50 -2.784 13.264 -7.444 379 HD23 LEU 50 2HD2 LEU 50 -2.364 14.880 -6.880 380 H GLU 51 H GLU 51 -1.783 15.225 -2.146 381 HA GLU 51 HA GLU 51 -2.889 13.182 -0.361 382 HB2 GLU 51 2HB GLU 51 -0.313 13.586 -1.030 383 HB3 GLU 51 1HB GLU 51 -0.413 14.660 0.359 384 HG2 GLU 51 2HG GLU 51 0.393 12.405 0.932 385 HG3 GLU 51 1HG GLU 51 -1.084 12.851 1.784 Start of MODEL 5 1 H1 GLU 1 1HT GLU 1 -14.032 -4.114 2.825 2 H2 GLU 1 2HT GLU 1 -15.457 -3.740 3.663 3 H3 GLU 1 3HT GLU 1 -14.782 -5.290 3.780 4 HA GLU 1 HA GLU 1 -13.465 -2.814 4.711 5 HB2 GLU 1 2HB GLU 1 -14.149 -4.706 6.788 6 HB3 GLU 1 1HB GLU 1 -14.527 -2.995 6.680 7 HG2 GLU 1 2HG GLU 1 -16.123 -5.091 5.246 8 HG3 GLU 1 1HG GLU 1 -16.474 -4.595 6.898 9 H GLN 2 H GLN 2 -11.852 -3.989 3.232 10 HA GLN 2 HA GLN 2 -10.643 -6.391 4.200 11 HB2 GLN 2 2HB GLN 2 -10.584 -4.990 1.836 12 HB3 GLN 2 1HB GLN 2 -8.993 -4.662 2.504 13 HG2 GLN 2 2HG GLN 2 -8.869 -7.216 2.859 14 HG3 GLN 2 1HG GLN 2 -10.194 -7.272 1.697 15 HE21 GLN 2 1HE2 GLN 2 -9.819 -6.572 -0.427 16 HE22 GLN 2 2HE2 GLN 2 -8.217 -6.455 -1.071 17 H VAL 3 H VAL 3 -8.458 -6.591 4.990 18 HA VAL 3 HA VAL 3 -7.886 -4.956 7.182 19 HB VAL 3 HB VAL 3 -5.590 -6.053 7.119 20 HG11 VAL 3 1HG1 VAL 3 -6.488 -8.252 7.769 21 HG12 VAL 3 2HG1 VAL 3 -8.058 -7.788 7.112 22 HG13 VAL 3 3HG1 VAL 3 -7.384 -6.915 8.489 23 HG21 VAL 3 3HG2 VAL 3 -5.370 -8.010 5.631 24 HG22 VAL 3 1HG2 VAL 3 -5.432 -6.489 4.740 25 HG23 VAL 3 2HG2 VAL 3 -6.854 -7.527 4.808 26 H VAL 4 H VAL 4 -6.896 -4.673 3.853 27 HA VAL 4 HA VAL 4 -4.790 -2.789 4.375 28 HB VAL 4 HB VAL 4 -4.636 -2.499 1.977 29 HG11 VAL 4 1HG1 VAL 4 -4.273 -4.848 1.282 30 HG12 VAL 4 2HG1 VAL 4 -5.075 -5.375 2.761 31 HG13 VAL 4 3HG1 VAL 4 -3.566 -4.469 2.851 32 HG21 VAL 4 3HG2 VAL 4 -7.105 -4.210 1.737 33 HG22 VAL 4 1HG2 VAL 4 -6.171 -3.513 0.415 34 HG23 VAL 4 2HG2 VAL 4 -7.065 -2.461 1.514 35 H ALA 5 H ALA 5 -8.160 -2.589 4.260 36 HA ALA 5 HA ALA 5 -8.119 0.242 3.500 37 HB1 ALA 5 3HB ALA 5 -10.531 0.051 3.244 38 HB2 ALA 5 1HB ALA 5 -10.474 -1.610 3.832 39 HB3 ALA 5 2HB ALA 5 -9.703 -1.191 2.303 40 H ILE 6 H ILE 6 -9.160 -1.925 6.118 41 HA ILE 6 HA ILE 6 -10.264 0.145 7.716 42 HB ILE 6 HB ILE 6 -10.126 -1.469 9.603 43 HG12 ILE 6 2HG1 ILE 6 -9.075 -3.461 7.606 44 HG13 ILE 6 1HG1 ILE 6 -7.999 -2.563 8.671 45 HG21 ILE 6 1HG2 ILE 6 -11.713 -3.077 8.659 46 HG22 ILE 6 2HG2 ILE 6 -11.253 -2.572 7.033 47 HG23 ILE 6 3HG2 ILE 6 -12.054 -1.434 8.116 48 HD11 ILE 6 3HD1 ILE 6 -8.480 -4.756 9.566 49 HD12 ILE 6 1HD1 ILE 6 -10.209 -4.416 9.524 50 HD13 ILE 6 2HD1 ILE 6 -9.157 -3.506 10.608 51 H ALA 7 H ALA 7 -7.033 -1.262 7.506 52 HA ALA 7 HA ALA 7 -6.003 0.042 9.811 53 HB1 ALA 7 3HB ALA 7 -3.812 -0.613 8.976 54 HB2 ALA 7 1HB ALA 7 -4.515 -1.021 7.409 55 HB3 ALA 7 2HB ALA 7 -4.952 -1.952 8.841 56 H SER 8 H SER 8 -6.057 0.841 6.374 57 HA SER 8 HA SER 8 -4.451 3.171 6.612 58 HB2 SER 8 2HB SER 8 -5.536 3.665 4.313 59 HB3 SER 8 1HB SER 8 -4.489 2.250 4.461 60 HG SER 8 HG SER 8 -6.130 1.081 3.905 61 H ASN 9 H ASN 9 -7.870 2.513 6.890 62 HA ASN 9 HA ASN 9 -8.765 5.192 6.669 63 HB2 ASN 9 2HB ASN 9 -9.949 2.648 7.103 64 HB3 ASN 9 1HB ASN 9 -10.490 3.709 8.402 65 HD21 ASN 9 1HD2 ASN 9 -12.577 3.863 7.672 66 HD22 ASN 9 2HD2 ASN 9 -13.007 4.711 6.228 67 H ILE 10 H ILE 10 -7.293 3.395 9.214 68 HA ILE 10 HA ILE 10 -8.045 5.376 11.220 69 HB ILE 10 HB ILE 10 -6.239 2.985 11.609 70 HG12 ILE 10 2HG1 ILE 10 -8.392 2.187 10.789 71 HG13 ILE 10 1HG1 ILE 10 -8.214 1.807 12.498 72 HG21 ILE 10 1HG2 ILE 10 -7.828 4.645 13.558 73 HG22 ILE 10 2HG2 ILE 10 -6.080 4.672 13.345 74 HG23 ILE 10 3HG2 ILE 10 -6.867 3.224 13.965 75 HD11 ILE 10 3HD1 ILE 10 -9.844 4.052 11.329 76 HD12 ILE 10 1HD1 ILE 10 -9.629 3.734 13.051 77 HD13 ILE 10 2HD1 ILE 10 -10.457 2.556 12.033 78 H GLY 11 H GLY 11 -5.261 4.252 9.385 79 HA2 GLY 11 2HA GLY 11 -3.373 5.923 10.764 80 HA3 GLY 11 1HA GLY 11 -3.082 5.019 9.287 81 H GLY 12 H GLY 12 -5.242 6.185 7.791 82 HA2 GLY 12 2HA GLY 12 -5.921 8.231 6.843 83 HA3 GLY 12 1HA GLY 12 -4.636 9.042 7.724 84 H LYS 13 H LYS 13 -3.438 6.259 6.315 85 HA LYS 13 HA LYS 13 -2.684 7.654 3.840 86 HB2 LYS 13 2HB LYS 13 -0.694 6.007 5.388 87 HB3 LYS 13 1HB LYS 13 -0.391 7.166 4.101 88 HG2 LYS 13 2HG LYS 13 -0.924 9.005 5.551 89 HG3 LYS 13 1HG LYS 13 -1.430 7.907 6.832 90 HD2 LYS 13 2HD LYS 13 1.358 8.193 5.725 91 HD3 LYS 13 1HD LYS 13 0.784 8.796 7.277 92 HE2 LYS 13 2HE LYS 13 1.056 5.921 6.415 93 HE3 LYS 13 1HE LYS 13 1.994 6.762 7.646 94 HZ1 LYS 13 3HZ LYS 13 0.479 5.646 8.911 95 HZ2 LYS 13 1HZ LYS 13 -0.768 5.761 7.770 96 HZ3 LYS 13 2HZ LYS 13 -0.339 7.109 8.710 97 H GLN 14 H GLN 14 -3.979 6.387 2.562 98 HA GLN 14 HA GLN 14 -4.343 3.621 2.813 99 HB2 GLN 14 2HB GLN 14 -4.925 5.657 0.758 100 HB3 GLN 14 1HB GLN 14 -4.840 3.999 0.185 101 HG2 GLN 14 2HG GLN 14 -7.110 4.490 0.700 102 HG3 GLN 14 1HG GLN 14 -6.501 3.373 1.920 103 HE21 GLN 14 1HE2 GLN 14 -7.964 3.930 3.475 104 HE22 GLN 14 2HE2 GLN 14 -7.969 5.468 4.263 105 H ALA 15 H ALA 15 -2.192 5.398 0.621 106 HA ALA 15 HA ALA 15 -1.143 3.038 -0.582 107 HB1 ALA 15 3HB ALA 15 0.021 5.813 -0.604 108 HB2 ALA 15 1HB ALA 15 -1.213 5.219 -1.716 109 HB3 ALA 15 2HB ALA 15 0.396 4.497 -1.717 110 H LEU 16 H LEU 16 -0.250 4.901 2.220 111 HA LEU 16 HA LEU 16 2.367 3.655 2.349 112 HB2 LEU 16 2HB LEU 16 0.981 5.630 4.149 113 HB3 LEU 16 1HB LEU 16 2.578 4.980 4.475 114 HG LEU 16 HG LEU 16 1.820 6.580 2.027 115 HD11 LEU 16 1HD1 LEU 16 3.286 7.335 4.539 116 HD12 LEU 16 2HD1 LEU 16 1.815 8.051 3.880 117 HD13 LEU 16 3HD1 LEU 16 3.352 8.274 3.048 118 HD21 LEU 16 3HD2 LEU 16 4.244 6.639 1.623 119 HD22 LEU 16 1HD2 LEU 16 3.588 5.005 1.541 120 HD23 LEU 16 2HD2 LEU 16 4.480 5.525 2.968 121 H GLU 17 H GLU 17 -0.785 3.033 3.530 122 HA GLU 17 HA GLU 17 0.186 1.359 5.700 123 HB2 GLU 17 2HB GLU 17 -2.385 2.526 4.938 124 HB3 GLU 17 1HB GLU 17 -2.519 0.862 5.487 125 HG2 GLU 17 2HG GLU 17 -2.847 2.257 7.374 126 HG3 GLU 17 1HG GLU 17 -1.254 1.524 7.537 127 H THR 18 H THR 18 -1.175 1.039 2.472 128 HA THR 18 HA THR 18 -1.701 -1.728 2.577 129 HB THR 18 HB THR 18 -2.636 -0.280 0.815 130 HG1 THR 18 HG1 THR 18 -1.079 -2.165 -0.598 131 HG21 THR 18 3HG2 THR 18 0.144 -0.292 -0.360 132 HG22 THR 18 1HG2 THR 18 -0.634 1.097 0.400 133 HG23 THR 18 2HG2 THR 18 -1.299 0.418 -1.086 134 H VAL 19 H VAL 19 1.244 0.077 1.884 135 HA VAL 19 HA VAL 19 2.712 -2.068 0.784 136 HB VAL 19 HB VAL 19 3.339 0.363 0.617 137 HG11 VAL 19 1HG1 VAL 19 4.821 1.224 2.447 138 HG12 VAL 19 2HG1 VAL 19 4.245 -0.109 3.448 139 HG13 VAL 19 3HG1 VAL 19 3.112 1.108 2.863 140 HG21 VAL 19 3HG2 VAL 19 4.877 -1.387 -0.079 141 HG22 VAL 19 1HG2 VAL 19 5.475 -1.542 1.571 142 HG23 VAL 19 2HG2 VAL 19 5.760 -0.055 0.666 143 H GLN 20 H GLN 20 1.967 -1.183 4.062 144 HA GLN 20 HA GLN 20 3.952 -3.050 5.109 145 HB2 GLN 20 2HB GLN 20 2.303 -0.860 6.242 146 HB3 GLN 20 1HB GLN 20 2.678 -2.202 7.317 147 HG2 GLN 20 2HG GLN 20 4.765 -0.692 5.767 148 HG3 GLN 20 1HG GLN 20 4.267 -0.269 7.405 149 HE21 GLN 20 1HE2 GLN 20 6.837 -1.264 6.248 150 HE22 GLN 20 2HE2 GLN 20 7.253 -2.634 7.219 151 H ARG 21 H ARG 21 0.556 -2.784 4.519 152 HA ARG 21 HA ARG 21 -0.205 -4.964 6.223 153 HB2 ARG 21 2HB ARG 21 -1.703 -3.054 5.514 154 HB3 ARG 21 1HB ARG 21 -1.774 -3.798 3.922 155 HG2 ARG 21 2HG ARG 21 -3.717 -4.494 5.023 156 HG3 ARG 21 1HG ARG 21 -2.626 -5.880 5.094 157 HD2 ARG 21 2HD ARG 21 -2.165 -4.217 7.364 158 HD3 ARG 21 1HD ARG 21 -3.895 -4.527 7.230 159 HE ARG 21 HE ARG 21 -2.579 -6.958 6.877 160 HH11 ARG 21 1HH1 ARG 21 -3.021 -4.567 9.396 161 HH12 ARG 21 2HH1 ARG 21 -2.868 -5.714 10.687 162 HH21 ARG 21 1HH2 ARG 21 -2.391 -8.469 8.574 163 HH22 ARG 21 2HH2 ARG 21 -2.514 -7.932 10.222 164 H LEU 22 H LEU 22 0.259 -4.531 2.729 165 HA LEU 22 HA LEU 22 -0.204 -7.364 2.267 166 HB2 LEU 22 2HB LEU 22 0.299 -5.017 0.461 167 HB3 LEU 22 1HB LEU 22 0.309 -6.662 -0.142 168 HG LEU 22 HG LEU 22 -2.028 -5.300 1.192 169 HD11 LEU 22 1HD1 LEU 22 -1.548 -6.037 -1.691 170 HD12 LEU 22 2HD1 LEU 22 -1.563 -4.406 -1.021 171 HD13 LEU 22 3HD1 LEU 22 -3.040 -5.368 -1.031 172 HD21 LEU 22 3HD2 LEU 22 -1.728 -8.049 -0.013 173 HD22 LEU 22 1HD2 LEU 22 -3.278 -7.301 0.376 174 HD23 LEU 22 2HD2 LEU 22 -2.120 -7.645 1.658 175 H LEU 23 H LEU 23 2.341 -5.644 3.332 176 HA LEU 23 HA LEU 23 4.501 -6.395 1.752 177 HB2 LEU 23 2HB LEU 23 4.728 -4.735 3.491 178 HB3 LEU 23 1HB LEU 23 4.394 -5.927 4.730 179 HG LEU 23 HG LEU 23 6.510 -7.109 4.013 180 HD11 LEU 23 1HD1 LEU 23 8.125 -5.900 2.711 181 HD12 LEU 23 2HD1 LEU 23 7.042 -4.515 2.575 182 HD13 LEU 23 3HD1 LEU 23 6.635 -6.036 1.782 183 HD21 LEU 23 3HD2 LEU 23 6.756 -4.286 5.048 184 HD22 LEU 23 1HD2 LEU 23 7.967 -5.557 5.220 185 HD23 LEU 23 2HD2 LEU 23 6.400 -5.718 6.014 186 HA PRO 24 HA PRO 24 5.224 -10.316 4.532 187 HB2 PRO 24 2HB PRO 24 3.005 -11.224 5.885 188 HB3 PRO 24 1HB PRO 24 4.283 -10.244 6.614 189 HG2 PRO 24 2HG PRO 24 1.618 -9.400 5.545 190 HG3 PRO 24 1HG PRO 24 2.448 -8.877 7.023 191 HD2 PRO 24 2HD PRO 24 2.426 -7.353 4.821 192 HD3 PRO 24 1HD PRO 24 3.857 -7.440 5.870 193 H VAL 25 H VAL 25 1.987 -9.769 3.265 194 HA VAL 25 HA VAL 25 1.465 -12.407 2.413 195 HB VAL 25 HB VAL 25 0.346 -9.872 1.212 196 HG11 VAL 25 1HG1 VAL 25 -1.604 -11.273 0.704 197 HG12 VAL 25 2HG1 VAL 25 -0.765 -12.675 1.371 198 HG13 VAL 25 3HG1 VAL 25 -0.143 -11.878 -0.074 199 HG21 VAL 25 3HG2 VAL 25 0.111 -9.840 3.650 200 HG22 VAL 25 1HG2 VAL 25 -0.663 -11.424 3.597 201 HG23 VAL 25 2HG2 VAL 25 -1.450 -10.031 2.856 202 H LEU 26 H LEU 26 2.464 -9.539 0.541 203 HA LEU 26 HA LEU 26 2.799 -10.995 -1.868 204 HB2 LEU 26 2HB LEU 26 3.364 -8.236 -0.955 205 HB3 LEU 26 1HB LEU 26 4.257 -8.809 -2.350 206 HG LEU 26 HG LEU 26 2.254 -7.579 -3.024 207 HD11 LEU 26 1HD1 LEU 26 1.432 -9.119 -4.627 208 HD12 LEU 26 2HD1 LEU 26 1.848 -10.499 -3.613 209 HD13 LEU 26 3HD1 LEU 26 3.125 -9.532 -4.350 210 HD21 LEU 26 3HD2 LEU 26 0.972 -8.330 -0.922 211 HD22 LEU 26 1HD2 LEU 26 0.556 -9.757 -1.869 212 HD23 LEU 26 2HD2 LEU 26 0.081 -8.155 -2.434 213 H CYS 27 H CYS 27 5.073 -10.077 0.692 214 HA CYS 27 HA CYS 27 7.394 -10.783 -0.781 215 HB2 CYS 27 2HB CYS 27 8.614 -10.540 1.245 216 HB3 CYS 27 1HB CYS 27 7.341 -9.328 1.280 217 HG CYS 27 HG CYS 27 5.971 -11.803 2.737 218 H GLN 28 H GLN 28 5.072 -12.643 0.967 219 HA GLN 28 HA GLN 28 6.813 -14.977 1.094 220 HB2 GLN 28 2HB GLN 28 5.390 -14.490 3.016 221 HB3 GLN 28 1HB GLN 28 3.959 -14.564 1.999 222 HG2 GLN 28 2HG GLN 28 4.314 -16.923 1.606 223 HG3 GLN 28 1HG GLN 28 5.817 -16.868 2.527 224 HE21 GLN 28 1HE2 GLN 28 3.368 -18.432 2.941 225 HE22 GLN 28 2HE2 GLN 28 2.850 -18.064 4.549 226 H ALA 29 H ALA 29 3.803 -13.949 -0.461 227 HA ALA 29 HA ALA 29 3.366 -16.379 -1.845 228 HB1 ALA 29 3HB ALA 29 1.677 -15.169 -3.088 229 HB2 ALA 29 1HB ALA 29 2.321 -13.634 -2.503 230 HB3 ALA 29 2HB ALA 29 1.586 -14.769 -1.373 231 H HIS 30 H HIS 30 5.105 -13.430 -2.724 232 HA HIS 30 HA HIS 30 6.047 -14.857 -5.119 233 HB2 HIS 30 2HB HIS 30 4.903 -12.085 -4.983 234 HB3 HIS 30 1HB HIS 30 6.084 -12.500 -6.220 235 HD1 HIS 30 HD1 HIS 30 5.234 -13.707 -8.254 236 HD2 HIS 30 HD2 HIS 30 2.459 -13.619 -5.159 237 HE1 HIS 30 HE1 HIS 30 3.112 -14.643 -9.218 238 HE2 HIS 30 HE2 HIS 30 1.418 -14.471 -7.365 239 H GLY 31 H GLY 31 6.620 -12.162 -2.884 240 HA2 GLY 31 2HA GLY 31 8.741 -11.937 -1.781 241 HA3 GLY 31 1HA GLY 31 9.503 -12.684 -3.177 242 H LEU 32 H LEU 32 8.132 -11.153 -5.138 243 HA LEU 32 HA LEU 32 9.873 -9.032 -5.521 244 HB2 LEU 32 2HB LEU 32 7.069 -9.196 -6.611 245 HB3 LEU 32 1HB LEU 32 8.426 -8.337 -7.312 246 HG LEU 32 HG LEU 32 8.339 -11.334 -7.017 247 HD11 LEU 32 1HD1 LEU 32 6.521 -10.616 -8.461 248 HD12 LEU 32 2HD1 LEU 32 7.794 -11.394 -9.399 249 HD13 LEU 32 3HD1 LEU 32 7.641 -9.638 -9.409 250 HD21 LEU 32 3HD2 LEU 32 10.084 -9.499 -8.652 251 HD22 LEU 32 1HD2 LEU 32 10.129 -11.261 -8.680 252 HD23 LEU 32 2HD2 LEU 32 10.570 -10.393 -7.211 253 H THR 33 H THR 33 6.497 -8.916 -4.410 254 HA THR 33 HA THR 33 5.341 -7.412 -3.168 255 HB THR 33 HB THR 33 7.965 -6.138 -2.398 256 HG1 THR 33 HG1 THR 33 8.339 -8.223 -1.877 257 HG21 THR 33 3HG2 THR 33 6.813 -5.602 -0.338 258 HG22 THR 33 1HG2 THR 33 5.391 -6.505 -0.857 259 HG23 THR 33 2HG2 THR 33 5.853 -5.027 -1.701 260 HA PRO 34 HA PRO 34 5.732 -4.395 -6.660 261 HB2 PRO 34 2HB PRO 34 3.066 -4.312 -7.186 262 HB3 PRO 34 1HB PRO 34 4.155 -5.525 -7.871 263 HG2 PRO 34 2HG PRO 34 2.318 -5.748 -5.517 264 HG3 PRO 34 1HG PRO 34 2.605 -6.909 -6.827 265 HD2 PRO 34 2HD PRO 34 3.747 -7.174 -4.401 266 HD3 PRO 34 1HD PRO 34 4.571 -7.672 -5.891 267 H GLU 35 H GLU 35 4.103 -4.423 -3.645 268 HA GLU 35 HA GLU 35 2.794 -1.954 -3.693 269 HB2 GLU 35 2HB GLU 35 4.091 -3.337 -1.338 270 HB3 GLU 35 1HB GLU 35 2.921 -2.028 -1.239 271 HG2 GLU 35 2HG GLU 35 2.415 -4.761 -2.399 272 HG3 GLU 35 1HG GLU 35 1.891 -4.197 -0.815 273 H GLN 36 H GLN 36 6.144 -2.774 -2.898 274 HA GLN 36 HA GLN 36 6.806 -0.033 -2.259 275 HB2 GLN 36 2HB GLN 36 9.108 -0.892 -2.008 276 HB3 GLN 36 1HB GLN 36 7.947 -1.836 -1.081 277 HG2 GLN 36 2HG GLN 36 8.033 -3.628 -2.603 278 HG3 GLN 36 1HG GLN 36 8.857 -2.656 -3.821 279 HE21 GLN 36 1HE2 GLN 36 10.498 -4.173 -3.988 280 HE22 GLN 36 2HE2 GLN 36 11.708 -4.361 -2.769 281 H VAL 37 H VAL 37 6.289 -1.651 -5.085 282 HA VAL 37 HA VAL 37 8.390 -0.252 -6.562 283 HB VAL 37 HB VAL 37 6.463 -2.352 -7.564 284 HG11 VAL 37 1HG1 VAL 37 8.990 -1.286 -8.825 285 HG12 VAL 37 2HG1 VAL 37 7.354 -0.829 -9.301 286 HG13 VAL 37 3HG1 VAL 37 7.902 -2.494 -9.503 287 HG21 VAL 37 3HG2 VAL 37 7.946 -3.270 -5.863 288 HG22 VAL 37 1HG2 VAL 37 9.347 -2.614 -6.713 289 HG23 VAL 37 2HG2 VAL 37 8.379 -3.886 -7.459 290 H VAL 38 H VAL 38 4.853 -0.810 -6.825 291 HA VAL 38 HA VAL 38 4.755 1.679 -8.389 292 HB VAL 38 HB VAL 38 4.078 -0.316 -9.639 293 HG11 VAL 38 1HG1 VAL 38 3.157 -1.682 -7.884 294 HG12 VAL 38 2HG1 VAL 38 1.932 -1.414 -9.124 295 HG13 VAL 38 3HG1 VAL 38 1.864 -0.516 -7.608 296 HG21 VAL 38 3HG2 VAL 38 1.901 0.565 -10.459 297 HG22 VAL 38 1HG2 VAL 38 3.166 1.789 -10.326 298 HG23 VAL 38 2HG2 VAL 38 1.898 1.694 -9.105 299 H ALA 39 H ALA 39 3.168 -0.025 -5.701 300 HA ALA 39 HA ALA 39 1.031 1.754 -5.355 301 HB1 ALA 39 3HB ALA 39 1.226 -0.451 -4.242 302 HB2 ALA 39 1HB ALA 39 0.788 0.854 -3.142 303 HB3 ALA 39 2HB ALA 39 2.441 0.236 -3.163 304 H ILE 40 H ILE 40 4.137 1.684 -3.602 305 HA ILE 40 HA ILE 40 3.752 4.139 -2.276 306 HB ILE 40 HB ILE 40 6.310 2.692 -2.986 307 HG12 ILE 40 2HG1 ILE 40 4.811 1.469 -1.477 308 HG13 ILE 40 1HG1 ILE 40 6.267 1.993 -0.638 309 HG21 ILE 40 1HG2 ILE 40 5.930 5.000 -1.079 310 HG22 ILE 40 2HG2 ILE 40 6.760 5.078 -2.633 311 HG23 ILE 40 3HG2 ILE 40 7.422 4.095 -1.326 312 HD11 ILE 40 3HD1 ILE 40 4.381 2.319 0.786 313 HD12 ILE 40 1HD1 ILE 40 3.532 3.229 -0.464 314 HD13 ILE 40 2HD1 ILE 40 4.984 3.896 0.283 315 H ALA 41 H ALA 41 5.129 3.314 -5.392 316 HA ALA 41 HA ALA 41 6.309 5.770 -6.032 317 HB1 ALA 41 3HB ALA 41 5.065 3.850 -7.983 318 HB2 ALA 41 1HB ALA 41 6.649 3.622 -7.240 319 HB3 ALA 41 2HB ALA 41 6.359 5.010 -8.286 320 H SER 42 H SER 42 2.998 4.618 -6.437 321 HA SER 42 HA SER 42 2.084 6.768 -8.016 322 HB2 SER 42 2HB SER 42 0.502 5.042 -6.095 323 HB3 SER 42 1HB SER 42 -0.161 6.019 -7.407 324 HG SER 42 HG SER 42 1.462 3.699 -7.577 325 H HIS 43 H HIS 43 2.338 6.307 -4.534 326 HA HIS 43 HA HIS 43 0.961 8.757 -3.921 327 HB2 HIS 43 2HB HIS 43 0.769 7.145 -2.219 328 HB3 HIS 43 1HB HIS 43 2.476 6.732 -2.293 329 HD1 HIS 43 HD1 HIS 43 0.223 9.570 -1.109 330 HD2 HIS 43 HD2 HIS 43 4.033 8.009 -0.456 331 HE1 HIS 43 HE1 HIS 43 1.182 10.869 0.811 332 HE2 HIS 43 HE2 HIS 43 3.553 10.062 1.033 333 H ASP 44 H ASP 44 4.300 7.654 -4.093 334 HA ASP 44 HA ASP 44 5.529 9.989 -3.108 335 HB2 ASP 44 2HB ASP 44 6.587 7.694 -3.446 336 HB3 ASP 44 1HB ASP 44 6.737 8.118 -5.147 337 H GLY 45 H GLY 45 5.360 8.881 -6.497 338 HA2 GLY 45 2HA GLY 45 5.664 11.694 -7.321 339 HA3 GLY 45 1HA GLY 45 6.138 10.307 -8.287 340 H GLY 46 H GLY 46 3.372 12.068 -6.995 341 HA2 GLY 46 2HA GLY 46 1.865 12.304 -9.187 342 HA3 GLY 46 1HA GLY 46 1.552 10.633 -8.748 343 H LYS 47 H LYS 47 0.857 10.308 -6.430 344 HA LYS 47 HA LYS 47 -1.442 11.930 -5.981 345 HB2 LYS 47 2HB LYS 47 -0.972 9.398 -5.447 346 HB3 LYS 47 1HB LYS 47 -0.404 10.044 -3.917 347 HG2 LYS 47 2HG LYS 47 -2.671 9.416 -3.626 348 HG3 LYS 47 1HG LYS 47 -2.601 11.176 -3.653 349 HD2 LYS 47 2HD LYS 47 -3.169 11.021 -6.121 350 HD3 LYS 47 1HD LYS 47 -3.540 9.322 -5.822 351 HE2 LYS 47 2HE LYS 47 -5.174 10.002 -4.111 352 HE3 LYS 47 1HE LYS 47 -4.825 11.692 -4.468 353 HZ1 LYS 47 3HZ LYS 47 -6.804 10.980 -5.606 354 HZ2 LYS 47 1HZ LYS 47 -5.972 9.713 -6.349 355 HZ3 LYS 47 2HZ LYS 47 -5.596 11.312 -6.739 356 H GLN 48 H GLN 48 1.801 12.136 -4.897 357 HA GLN 48 HA GLN 48 1.407 13.364 -2.389 358 HB2 GLN 48 2HB GLN 48 3.587 12.455 -3.664 359 HB3 GLN 48 1HB GLN 48 3.757 14.171 -4.009 360 HG2 GLN 48 2HG GLN 48 3.424 14.514 -1.488 361 HG3 GLN 48 1HG GLN 48 3.757 12.789 -1.355 362 HE21 GLN 48 1HE2 GLN 48 5.623 12.853 -3.623 363 HE22 GLN 48 2HE2 GLN 48 7.068 13.584 -3.010 364 H ALA 49 H ALA 49 1.002 14.522 -5.586 365 HA ALA 49 HA ALA 49 1.156 17.320 -4.785 366 HB1 ALA 49 3HB ALA 49 0.774 17.816 -7.141 367 HB2 ALA 49 1HB ALA 49 0.486 16.107 -7.467 368 HB3 ALA 49 2HB ALA 49 2.085 16.649 -6.958 369 H LEU 50 H LEU 50 -1.046 14.918 -4.533 370 HA LEU 50 HA LEU 50 -3.360 16.709 -4.897 371 HB2 LEU 50 2HB LEU 50 -2.967 13.790 -5.289 372 HB3 LEU 50 1HB LEU 50 -4.520 14.306 -4.661 373 HG LEU 50 HG LEU 50 -4.645 14.036 -7.062 374 HD11 LEU 50 1HD1 LEU 50 -4.628 16.994 -6.572 375 HD12 LEU 50 2HD1 LEU 50 -5.841 15.935 -5.856 376 HD13 LEU 50 3HD1 LEU 50 -5.695 16.051 -7.611 377 HD21 LEU 50 3HD2 LEU 50 -3.341 15.439 -8.587 378 HD22 LEU 50 1HD2 LEU 50 -2.302 14.382 -7.629 379 HD23 LEU 50 2HD2 LEU 50 -2.443 16.092 -7.218 380 H GLU 51 H GLU 51 -1.739 14.466 -2.749 381 HA GLU 51 HA GLU 51 -3.716 14.751 -0.664 382 HB2 GLU 51 2HB GLU 51 -1.003 13.412 -0.644 383 HB3 GLU 51 1HB GLU 51 -2.179 13.334 0.660 384 HG2 GLU 51 2HG GLU 51 -3.769 12.266 -0.907 385 HG3 GLU 51 1HG GLU 51 -2.492 12.243 -2.120 Start of MODEL 6 1 H1 GLU 1 1HT GLU 1 -14.438 -5.661 1.072 2 H2 GLU 1 2HT GLU 1 -15.474 -4.348 1.286 3 H3 GLU 1 3HT GLU 1 -15.337 -5.521 2.503 4 HA GLU 1 HA GLU 1 -13.296 -3.571 1.631 5 HB2 GLU 1 2HB GLU 1 -13.442 -2.698 3.868 6 HB3 GLU 1 1HB GLU 1 -15.069 -2.777 3.204 7 HG2 GLU 1 2HG GLU 1 -13.972 -4.963 4.948 8 HG3 GLU 1 1HG GLU 1 -14.709 -3.513 5.625 9 H GLN 2 H GLN 2 -11.234 -3.790 2.437 10 HA GLN 2 HA GLN 2 -10.603 -6.423 3.598 11 HB2 GLN 2 2HB GLN 2 -9.812 -6.034 1.235 12 HB3 GLN 2 1HB GLN 2 -8.794 -4.741 1.853 13 HG2 GLN 2 2HG GLN 2 -7.517 -6.290 3.161 14 HG3 GLN 2 1HG GLN 2 -8.622 -7.603 2.759 15 HE21 GLN 2 1HE2 GLN 2 -7.653 -5.247 0.385 16 HE22 GLN 2 2HE2 GLN 2 -6.659 -6.313 -0.545 17 H VAL 3 H VAL 3 -8.699 -6.444 5.033 18 HA VAL 3 HA VAL 3 -8.841 -4.546 7.047 19 HB VAL 3 HB VAL 3 -6.601 -5.443 7.802 20 HG11 VAL 3 1HG1 VAL 3 -8.778 -7.431 7.171 21 HG12 VAL 3 2HG1 VAL 3 -8.709 -6.376 8.582 22 HG13 VAL 3 3HG1 VAL 3 -7.504 -7.647 8.372 23 HG21 VAL 3 3HG2 VAL 3 -5.788 -7.473 6.649 24 HG22 VAL 3 1HG2 VAL 3 -5.653 -6.026 5.650 25 HG23 VAL 3 2HG2 VAL 3 -6.955 -7.179 5.358 26 H VAL 4 H VAL 4 -6.823 -4.567 4.188 27 HA VAL 4 HA VAL 4 -5.099 -2.453 5.043 28 HB VAL 4 HB VAL 4 -4.270 -2.415 2.757 29 HG11 VAL 4 1HG1 VAL 4 -4.739 -5.252 3.671 30 HG12 VAL 4 2HG1 VAL 4 -3.495 -4.177 4.306 31 HG13 VAL 4 3HG1 VAL 4 -3.441 -4.688 2.620 32 HG21 VAL 4 3HG2 VAL 4 -6.507 -4.342 2.135 33 HG22 VAL 4 1HG2 VAL 4 -5.211 -3.880 1.032 34 HG23 VAL 4 2HG2 VAL 4 -6.385 -2.676 1.569 35 H ALA 5 H ALA 5 -8.287 -2.426 4.292 36 HA ALA 5 HA ALA 5 -8.180 0.318 3.224 37 HB1 ALA 5 3HB ALA 5 -9.246 -1.283 1.686 38 HB2 ALA 5 1HB ALA 5 -10.383 -0.063 2.264 39 HB3 ALA 5 2HB ALA 5 -10.417 -1.692 2.943 40 H ILE 6 H ILE 6 -8.363 -1.209 5.979 41 HA ILE 6 HA ILE 6 -10.437 0.550 7.110 42 HB ILE 6 HB ILE 6 -9.505 -2.100 8.239 43 HG12 ILE 6 2HG1 ILE 6 -12.147 -1.416 6.931 44 HG13 ILE 6 1HG1 ILE 6 -10.848 -2.299 6.136 45 HG21 ILE 6 1HG2 ILE 6 -11.369 -1.831 9.802 46 HG22 ILE 6 2HG2 ILE 6 -11.732 -0.257 9.099 47 HG23 ILE 6 3HG2 ILE 6 -10.208 -0.510 9.949 48 HD11 ILE 6 3HD1 ILE 6 -11.045 -4.052 7.873 49 HD12 ILE 6 1HD1 ILE 6 -12.507 -3.844 6.909 50 HD13 ILE 6 2HD1 ILE 6 -12.426 -3.183 8.540 51 H ALA 7 H ALA 7 -7.539 -1.266 8.150 52 HA ALA 7 HA ALA 7 -6.906 0.439 10.294 53 HB1 ALA 7 3HB ALA 7 -5.031 -1.305 8.698 54 HB2 ALA 7 1HB ALA 7 -6.034 -1.849 10.042 55 HB3 ALA 7 2HB ALA 7 -4.750 -0.674 10.320 56 H SER 8 H SER 8 -5.534 0.251 7.030 57 HA SER 8 HA SER 8 -3.784 2.406 7.217 58 HB2 SER 8 2HB SER 8 -5.187 1.732 4.653 59 HB3 SER 8 1HB SER 8 -3.490 2.136 4.920 60 HG SER 8 HG SER 8 -3.467 0.058 6.173 61 H ASN 9 H ASN 9 -7.206 2.277 6.506 62 HA ASN 9 HA ASN 9 -7.507 4.898 5.499 63 HB2 ASN 9 2HB ASN 9 -9.159 2.974 5.324 64 HB3 ASN 9 1HB ASN 9 -9.622 3.339 6.984 65 HD21 ASN 9 1HD2 ASN 9 -10.718 5.293 7.417 66 HD22 ASN 9 2HD2 ASN 9 -11.475 6.199 6.154 67 H ILE 10 H ILE 10 -7.970 3.537 8.755 68 HA ILE 10 HA ILE 10 -8.688 6.033 9.943 69 HB ILE 10 HB ILE 10 -7.598 3.621 11.401 70 HG12 ILE 10 2HG1 ILE 10 -9.424 2.884 9.948 71 HG13 ILE 10 1HG1 ILE 10 -9.938 2.865 11.631 72 HG21 ILE 10 1HG2 ILE 10 -9.462 5.832 12.267 73 HG22 ILE 10 2HG2 ILE 10 -7.775 5.643 12.749 74 HG23 ILE 10 3HG2 ILE 10 -8.976 4.453 13.256 75 HD11 ILE 10 3HD1 ILE 10 -11.691 3.718 10.201 76 HD12 ILE 10 1HD1 ILE 10 -10.614 4.976 9.593 77 HD13 ILE 10 2HD1 ILE 10 -11.114 4.982 11.286 78 H GLY 11 H GLY 11 -5.679 4.461 9.232 79 HA2 GLY 11 2HA GLY 11 -4.102 6.010 11.068 80 HA3 GLY 11 1HA GLY 11 -3.493 4.981 9.783 81 H GLY 12 H GLY 12 -5.587 6.748 8.142 82 HA2 GLY 12 2HA GLY 12 -5.542 8.809 7.039 83 HA3 GLY 12 1HA GLY 12 -4.102 9.241 7.957 84 H LYS 13 H LYS 13 -2.362 7.323 7.433 85 HA LYS 13 HA LYS 13 -1.608 7.826 4.697 86 HB2 LYS 13 2HB LYS 13 0.151 5.930 5.726 87 HB3 LYS 13 1HB LYS 13 0.400 7.669 5.695 88 HG2 LYS 13 2HG LYS 13 -0.373 7.902 7.925 89 HG3 LYS 13 1HG LYS 13 -0.996 6.251 7.949 90 HD2 LYS 13 2HD LYS 13 1.190 5.334 7.961 91 HD3 LYS 13 1HD LYS 13 1.920 6.896 7.584 92 HE2 LYS 13 2HE LYS 13 1.637 7.699 9.720 93 HE3 LYS 13 1HE LYS 13 0.278 6.627 10.056 94 HZ1 LYS 13 3HZ LYS 13 3.133 5.833 9.887 95 HZ2 LYS 13 1HZ LYS 13 1.847 4.770 10.147 96 HZ3 LYS 13 2HZ LYS 13 2.214 5.952 11.298 97 H GLN 14 H GLN 14 -3.663 6.705 4.030 98 HA GLN 14 HA GLN 14 -4.142 3.995 4.286 99 HB2 GLN 14 2HB GLN 14 -5.825 5.440 3.392 100 HB3 GLN 14 1HB GLN 14 -4.794 5.904 2.048 101 HG2 GLN 14 2HG GLN 14 -4.969 3.700 1.089 102 HG3 GLN 14 1HG GLN 14 -5.890 3.134 2.484 103 HE21 GLN 14 1HE2 GLN 14 -7.576 2.522 1.095 104 HE22 GLN 14 2HE2 GLN 14 -8.659 3.692 0.427 105 H ALA 15 H ALA 15 -2.500 5.589 1.545 106 HA ALA 15 HA ALA 15 -1.837 3.159 0.258 107 HB1 ALA 15 3HB ALA 15 -0.568 5.864 -0.105 108 HB2 ALA 15 1HB ALA 15 -2.028 5.298 -0.917 109 HB3 ALA 15 2HB ALA 15 -0.483 4.502 -1.224 110 H LEU 16 H LEU 16 -0.274 4.893 2.820 111 HA LEU 16 HA LEU 16 2.277 3.597 2.331 112 HB2 LEU 16 2HB LEU 16 1.320 5.597 4.344 113 HB3 LEU 16 1HB LEU 16 2.837 4.753 4.580 114 HG LEU 16 HG LEU 16 3.409 5.625 2.194 115 HD11 LEU 16 1HD1 LEU 16 1.168 6.436 1.665 116 HD12 LEU 16 2HD1 LEU 16 2.349 7.744 1.641 117 HD13 LEU 16 3HD1 LEU 16 1.257 7.569 3.012 118 HD21 LEU 16 3HD2 LEU 16 4.304 7.690 3.161 119 HD22 LEU 16 1HD2 LEU 16 4.557 6.310 4.227 120 HD23 LEU 16 2HD2 LEU 16 3.276 7.468 4.577 121 H GLU 17 H GLU 17 -0.453 3.303 4.522 122 HA GLU 17 HA GLU 17 0.875 1.343 6.163 123 HB2 GLU 17 2HB GLU 17 -1.093 3.015 6.736 124 HB3 GLU 17 1HB GLU 17 -2.091 1.686 6.174 125 HG2 GLU 17 2HG GLU 17 0.011 1.312 8.277 126 HG3 GLU 17 1HG GLU 17 -1.624 1.839 8.666 127 H THR 18 H THR 18 -1.490 1.343 3.535 128 HA THR 18 HA THR 18 -2.151 -1.372 3.645 129 HB THR 18 HB THR 18 -3.375 0.326 2.269 130 HG1 THR 18 HG1 THR 18 -2.632 -2.226 1.461 131 HG21 THR 18 3HG2 THR 18 -1.135 -0.112 0.291 132 HG22 THR 18 1HG2 THR 18 -1.421 1.376 1.191 133 HG23 THR 18 2HG2 THR 18 -2.606 0.816 0.013 134 H VAL 19 H VAL 19 0.597 0.281 2.196 135 HA VAL 19 HA VAL 19 1.516 -2.052 0.804 136 HB VAL 19 HB VAL 19 2.030 0.405 0.218 137 HG11 VAL 19 1HG1 VAL 19 2.861 1.163 2.347 138 HG12 VAL 19 2HG1 VAL 19 4.147 1.260 1.145 139 HG13 VAL 19 3HG1 VAL 19 4.136 -0.055 2.320 140 HG21 VAL 19 3HG2 VAL 19 4.233 -0.218 -0.721 141 HG22 VAL 19 1HG2 VAL 19 2.974 -1.417 -1.015 142 HG23 VAL 19 2HG2 VAL 19 4.183 -1.695 0.239 143 H GLN 20 H GLN 20 1.878 -0.705 3.964 144 HA GLN 20 HA GLN 20 4.209 -2.184 4.712 145 HB2 GLN 20 2HB GLN 20 3.352 -0.044 5.801 146 HB3 GLN 20 1HB GLN 20 2.109 -1.029 6.558 147 HG2 GLN 20 2HG GLN 20 4.010 -2.421 7.511 148 HG3 GLN 20 1HG GLN 20 5.075 -1.116 6.993 149 HE21 GLN 20 1HE2 GLN 20 4.544 -2.046 9.674 150 HE22 GLN 20 2HE2 GLN 20 3.897 -0.704 10.550 151 H ARG 21 H ARG 21 0.743 -2.656 4.857 152 HA ARG 21 HA ARG 21 0.929 -5.070 6.432 153 HB2 ARG 21 2HB ARG 21 -0.981 -3.410 6.504 154 HB3 ARG 21 1HB ARG 21 -1.474 -4.028 4.936 155 HG2 ARG 21 2HG ARG 21 -2.801 -5.132 6.550 156 HG3 ARG 21 1HG ARG 21 -1.612 -6.307 5.983 157 HD2 ARG 21 2HD ARG 21 -0.775 -4.717 8.311 158 HD3 ARG 21 1HD ARG 21 -2.150 -5.777 8.596 159 HE ARG 21 HE ARG 21 -0.188 -7.271 7.296 160 HH11 ARG 21 1HH1 ARG 21 -0.644 -5.620 10.352 161 HH12 ARG 21 2HH1 ARG 21 0.363 -6.717 11.243 162 HH21 ARG 21 1HH2 ARG 21 1.135 -8.744 8.493 163 HH22 ARG 21 2HH2 ARG 21 1.369 -8.484 10.191 164 H LEU 22 H LEU 22 0.620 -4.231 3.033 165 HA LEU 22 HA LEU 22 -0.033 -6.911 2.212 166 HB2 LEU 22 2HB LEU 22 0.712 -4.411 0.726 167 HB3 LEU 22 1HB LEU 22 0.551 -5.949 -0.100 168 HG LEU 22 HG LEU 22 -1.649 -4.626 1.489 169 HD11 LEU 22 1HD1 LEU 22 -1.231 -4.768 -1.495 170 HD12 LEU 22 2HD1 LEU 22 -1.079 -3.323 -0.493 171 HD13 LEU 22 3HD1 LEU 22 -2.648 -4.110 -0.675 172 HD21 LEU 22 3HD2 LEU 22 -1.911 -7.022 1.426 173 HD22 LEU 22 1HD2 LEU 22 -1.622 -7.045 -0.314 174 HD23 LEU 22 2HD2 LEU 22 -3.077 -6.284 0.329 175 H LEU 23 H LEU 23 2.860 -5.082 2.705 176 HA LEU 23 HA LEU 23 4.707 -6.324 1.110 177 HB2 LEU 23 2HB LEU 23 5.412 -4.455 2.315 178 HB3 LEU 23 1HB LEU 23 4.900 -5.130 3.848 179 HG LEU 23 HG LEU 23 6.767 -6.839 3.558 180 HD11 LEU 23 1HD1 LEU 23 8.607 -6.199 2.111 181 HD12 LEU 23 2HD1 LEU 23 7.678 -4.828 1.504 182 HD13 LEU 23 3HD1 LEU 23 7.144 -6.476 1.165 183 HD21 LEU 23 3HD2 LEU 23 7.510 -3.932 3.849 184 HD22 LEU 23 1HD2 LEU 23 8.429 -5.312 4.444 185 HD23 LEU 23 2HD2 LEU 23 6.841 -4.952 5.123 186 HA PRO 24 HA PRO 24 5.635 -9.733 4.476 187 HB2 PRO 24 2HB PRO 24 3.513 -10.301 6.137 188 HB3 PRO 24 1HB PRO 24 4.901 -9.308 6.585 189 HG2 PRO 24 2HG PRO 24 2.184 -8.467 5.667 190 HG3 PRO 24 1HG PRO 24 3.209 -7.767 6.934 191 HD2 PRO 24 2HD PRO 24 2.995 -6.624 4.518 192 HD3 PRO 24 1HD PRO 24 4.530 -6.624 5.410 193 H VAL 25 H VAL 25 2.516 -9.201 3.033 194 HA VAL 25 HA VAL 25 1.862 -12.006 2.827 195 HB VAL 25 HB VAL 25 0.560 -9.668 1.422 196 HG11 VAL 25 1HG1 VAL 25 -1.366 -11.153 1.216 197 HG12 VAL 25 2HG1 VAL 25 -0.462 -12.444 2.008 198 HG13 VAL 25 3HG1 VAL 25 0.053 -11.849 0.430 199 HG21 VAL 25 3HG2 VAL 25 -0.149 -10.959 4.054 200 HG22 VAL 25 1HG2 VAL 25 -1.098 -9.723 3.229 201 HG23 VAL 25 2HG2 VAL 25 0.514 -9.341 3.834 202 H LEU 26 H LEU 26 2.622 -9.423 0.477 203 HA LEU 26 HA LEU 26 2.824 -11.207 -1.723 204 HB2 LEU 26 2HB LEU 26 3.501 -8.350 -1.246 205 HB3 LEU 26 1HB LEU 26 4.207 -9.140 -2.640 206 HG LEU 26 HG LEU 26 2.241 -8.016 -3.376 207 HD11 LEU 26 1HD1 LEU 26 1.018 -9.767 -4.391 208 HD12 LEU 26 2HD1 LEU 26 1.411 -10.894 -3.093 209 HD13 LEU 26 3HD1 LEU 26 2.672 -10.358 -4.206 210 HD21 LEU 26 3HD2 LEU 26 1.136 -7.748 -1.223 211 HD22 LEU 26 1HD2 LEU 26 0.754 -9.472 -1.195 212 HD23 LEU 26 2HD2 LEU 26 0.033 -8.429 -2.423 213 H CYS 27 H CYS 27 5.111 -10.060 0.653 214 HA CYS 27 HA CYS 27 7.441 -10.914 -0.740 215 HB2 CYS 27 2HB CYS 27 7.200 -9.256 1.272 216 HB3 CYS 27 1HB CYS 27 7.351 -10.713 2.248 217 HG CYS 27 HG CYS 27 9.859 -11.413 1.194 218 H GLN 28 H GLN 28 5.041 -12.543 1.073 219 HA GLN 28 HA GLN 28 6.721 -14.828 1.699 220 HB2 GLN 28 2HB GLN 28 4.957 -14.083 3.274 221 HB3 GLN 28 1HB GLN 28 3.740 -14.448 2.059 222 HG2 GLN 28 2HG GLN 28 4.748 -16.824 2.107 223 HG3 GLN 28 1HG GLN 28 5.438 -16.319 3.647 224 HE21 GLN 28 1HE2 GLN 28 3.517 -18.387 3.201 225 HE22 GLN 28 2HE2 GLN 28 2.095 -17.958 4.088 226 H ALA 29 H ALA 29 3.964 -14.055 -0.381 227 HA ALA 29 HA ALA 29 3.812 -16.660 -1.532 228 HB1 ALA 29 3HB ALA 29 2.183 -15.668 -3.054 229 HB2 ALA 29 1HB ALA 29 2.630 -14.059 -2.491 230 HB3 ALA 29 2HB ALA 29 1.866 -15.200 -1.384 231 H HIS 30 H HIS 30 5.102 -13.551 -2.721 232 HA HIS 30 HA HIS 30 6.365 -15.069 -4.910 233 HB2 HIS 30 2HB HIS 30 5.298 -12.266 -4.826 234 HB3 HIS 30 1HB HIS 30 6.517 -12.731 -6.007 235 HD1 HIS 30 HD1 HIS 30 5.747 -14.073 -8.019 236 HD2 HIS 30 HD2 HIS 30 2.783 -13.545 -5.152 237 HE1 HIS 30 HE1 HIS 30 3.610 -14.830 -9.103 238 HE2 HIS 30 HE2 HIS 30 1.849 -14.582 -7.327 239 H GLY 31 H GLY 31 6.873 -12.233 -2.799 240 HA2 GLY 31 2HA GLY 31 8.859 -11.766 -1.623 241 HA3 GLY 31 1HA GLY 31 9.681 -12.992 -2.571 242 H LEU 32 H LEU 32 8.110 -11.385 -4.850 243 HA LEU 32 HA LEU 32 10.436 -9.869 -5.617 244 HB2 LEU 32 2HB LEU 32 7.963 -10.803 -6.906 245 HB3 LEU 32 1HB LEU 32 8.543 -9.252 -7.482 246 HG LEU 32 HG LEU 32 9.339 -11.116 -8.865 247 HD11 LEU 32 1HD1 LEU 32 11.513 -9.725 -7.313 248 HD12 LEU 32 2HD1 LEU 32 10.677 -9.103 -8.733 249 HD13 LEU 32 3HD1 LEU 32 11.712 -10.522 -8.873 250 HD21 LEU 32 3HD2 LEU 32 10.968 -12.702 -7.990 251 HD22 LEU 32 1HD2 LEU 32 9.432 -12.839 -7.137 252 HD23 LEU 32 2HD2 LEU 32 10.790 -12.010 -6.379 253 H THR 33 H THR 33 7.770 -9.241 -3.761 254 HA THR 33 HA THR 33 6.651 -7.410 -3.032 255 HB THR 33 HB THR 33 8.166 -5.443 -2.510 256 HG1 THR 33 HG1 THR 33 9.669 -6.309 -4.340 257 HG21 THR 33 3HG2 THR 33 7.745 -7.270 -0.925 258 HG22 THR 33 1HG2 THR 33 9.394 -6.659 -0.787 259 HG23 THR 33 2HG2 THR 33 9.083 -8.180 -1.623 260 HA PRO 34 HA PRO 34 6.072 -5.285 -7.074 261 HB2 PRO 34 2HB PRO 34 3.651 -6.216 -7.693 262 HB3 PRO 34 1HB PRO 34 5.095 -7.205 -7.943 263 HG2 PRO 34 2HG PRO 34 3.044 -7.350 -5.783 264 HG3 PRO 34 1HG PRO 34 3.908 -8.662 -6.603 265 HD2 PRO 34 2HD PRO 34 4.558 -7.581 -4.105 266 HD3 PRO 34 1HD PRO 34 5.617 -8.591 -5.107 267 H GLU 35 H GLU 35 4.341 -5.429 -4.108 268 HA GLU 35 HA GLU 35 2.298 -3.567 -4.664 269 HB2 GLU 35 2HB GLU 35 1.925 -3.469 -2.285 270 HB3 GLU 35 1HB GLU 35 2.218 -5.131 -2.764 271 HG2 GLU 35 2HG GLU 35 4.117 -3.283 -1.340 272 HG3 GLU 35 1HG GLU 35 3.306 -4.696 -0.675 273 H GLN 36 H GLN 36 5.534 -3.147 -3.243 274 HA GLN 36 HA GLN 36 5.242 -0.355 -2.806 275 HB2 GLN 36 2HB GLN 36 7.703 -2.085 -3.083 276 HB3 GLN 36 1HB GLN 36 7.747 -0.385 -2.636 277 HG2 GLN 36 2HG GLN 36 6.780 -0.758 -0.576 278 HG3 GLN 36 1HG GLN 36 6.069 -2.292 -1.071 279 HE21 GLN 36 1HE2 GLN 36 7.412 -4.116 -1.263 280 HE22 GLN 36 2HE2 GLN 36 8.912 -4.208 -0.390 281 H VAL 37 H VAL 37 5.971 -2.242 -5.579 282 HA VAL 37 HA VAL 37 7.326 -0.245 -7.098 283 HB VAL 37 HB VAL 37 5.845 -2.696 -8.079 284 HG11 VAL 37 1HG1 VAL 37 6.301 -1.135 -9.873 285 HG12 VAL 37 2HG1 VAL 37 7.361 -2.536 -10.016 286 HG13 VAL 37 3HG1 VAL 37 7.985 -1.017 -9.377 287 HG21 VAL 37 3HG2 VAL 37 7.524 -3.317 -6.438 288 HG22 VAL 37 1HG2 VAL 37 8.736 -2.357 -7.288 289 HG23 VAL 37 2HG2 VAL 37 8.052 -3.790 -8.055 290 H VAL 38 H VAL 38 3.993 -0.871 -6.395 291 HA VAL 38 HA VAL 38 3.245 1.042 -8.503 292 HB VAL 38 HB VAL 38 2.269 -1.098 -8.991 293 HG11 VAL 38 1HG1 VAL 38 2.298 -2.114 -6.799 294 HG12 VAL 38 2HG1 VAL 38 0.676 -2.196 -7.482 295 HG13 VAL 38 3HG1 VAL 38 1.050 -1.003 -6.238 296 HG21 VAL 38 3HG2 VAL 38 -0.073 -0.509 -9.135 297 HG22 VAL 38 1HG2 VAL 38 0.929 0.906 -9.461 298 HG23 VAL 38 2HG2 VAL 38 0.138 0.728 -7.895 299 H ALA 39 H ALA 39 2.424 0.041 -5.170 300 HA ALA 39 HA ALA 39 0.589 2.142 -4.706 301 HB1 ALA 39 3HB ALA 39 0.649 0.111 -3.340 302 HB2 ALA 39 1HB ALA 39 0.777 1.567 -2.353 303 HB3 ALA 39 2HB ALA 39 2.213 0.600 -2.687 304 H ILE 40 H ILE 40 4.010 1.814 -3.775 305 HA ILE 40 HA ILE 40 4.183 4.378 -2.584 306 HB ILE 40 HB ILE 40 6.351 2.549 -3.632 307 HG12 ILE 40 2HG1 ILE 40 5.048 1.648 -1.739 308 HG13 ILE 40 1HG1 ILE 40 6.709 2.004 -1.271 309 HG21 ILE 40 1HG2 ILE 40 7.927 3.903 -2.332 310 HG22 ILE 40 2HG2 ILE 40 6.630 5.034 -1.945 311 HG23 ILE 40 3HG2 ILE 40 7.164 4.841 -3.616 312 HD11 ILE 40 3HD1 ILE 40 4.205 3.491 -0.564 313 HD12 ILE 40 1HD1 ILE 40 5.805 4.214 -0.389 314 HD13 ILE 40 2HD1 ILE 40 5.399 2.753 0.507 315 H ALA 41 H ALA 41 4.978 3.150 -5.807 316 HA ALA 41 HA ALA 41 6.228 5.411 -6.834 317 HB1 ALA 41 3HB ALA 41 4.542 3.393 -8.304 318 HB2 ALA 41 1HB ALA 41 6.264 3.257 -7.955 319 HB3 ALA 41 2HB ALA 41 5.683 4.517 -9.040 320 H SER 42 H SER 42 2.767 4.545 -6.982 321 HA SER 42 HA SER 42 2.015 6.866 -8.419 322 HB2 SER 42 2HB SER 42 0.275 5.171 -6.618 323 HB3 SER 42 1HB SER 42 -0.261 6.219 -7.932 324 HG SER 42 HG SER 42 1.469 4.649 -9.043 325 H HIS 43 H HIS 43 2.446 6.238 -4.999 326 HA HIS 43 HA HIS 43 1.040 8.638 -4.239 327 HB2 HIS 43 2HB HIS 43 1.378 6.411 -2.859 328 HB3 HIS 43 1HB HIS 43 2.840 7.237 -2.324 329 HD1 HIS 43 HD1 HIS 43 -0.893 7.431 -2.146 330 HD2 HIS 43 HD2 HIS 43 2.428 9.431 -0.634 331 HE1 HIS 43 HE1 HIS 43 -1.780 8.969 -0.360 332 HE2 HIS 43 HE2 HIS 43 0.224 10.271 0.457 333 H ASP 44 H ASP 44 4.368 7.614 -4.636 334 HA ASP 44 HA ASP 44 5.572 9.907 -3.485 335 HB2 ASP 44 2HB ASP 44 6.969 8.025 -3.701 336 HB3 ASP 44 1HB ASP 44 6.527 7.781 -5.387 337 H GLY 45 H GLY 45 5.266 9.000 -6.931 338 HA2 GLY 45 2HA GLY 45 5.515 11.860 -7.589 339 HA3 GLY 45 1HA GLY 45 5.868 10.536 -8.689 340 H GLY 46 H GLY 46 3.225 12.148 -6.962 341 HA2 GLY 46 2HA GLY 46 1.535 12.616 -8.987 342 HA3 GLY 46 1HA GLY 46 1.259 10.909 -8.695 343 H LYS 47 H LYS 47 0.504 10.273 -6.561 344 HA LYS 47 HA LYS 47 -1.702 11.785 -5.738 345 HB2 LYS 47 2HB LYS 47 -1.226 9.281 -5.416 346 HB3 LYS 47 1HB LYS 47 -0.360 9.767 -3.967 347 HG2 LYS 47 2HG LYS 47 -2.547 9.116 -3.323 348 HG3 LYS 47 1HG LYS 47 -2.434 10.867 -3.162 349 HD2 LYS 47 2HD LYS 47 -3.650 11.196 -5.202 350 HD3 LYS 47 1HD LYS 47 -3.615 9.468 -5.556 351 HE2 LYS 47 2HE LYS 47 -4.956 9.052 -3.535 352 HE3 LYS 47 1HE LYS 47 -5.014 10.787 -3.235 353 HZ1 LYS 47 3HZ LYS 47 -6.111 11.021 -5.428 354 HZ2 LYS 47 1HZ LYS 47 -7.020 10.145 -4.305 355 HZ3 LYS 47 2HZ LYS 47 -6.192 9.336 -5.539 356 H GLN 48 H GLN 48 1.609 11.936 -4.657 357 HA GLN 48 HA GLN 48 1.163 13.119 -2.140 358 HB2 GLN 48 2HB GLN 48 3.375 12.258 -3.489 359 HB3 GLN 48 1HB GLN 48 3.590 14.005 -3.536 360 HG2 GLN 48 2HG GLN 48 3.412 14.122 -1.126 361 HG3 GLN 48 1HG GLN 48 3.106 12.389 -1.042 362 HE21 GLN 48 1HE2 GLN 48 5.074 11.787 -3.130 363 HE22 GLN 48 2HE2 GLN 48 6.620 11.966 -2.377 364 H ALA 49 H ALA 49 0.849 14.367 -5.320 365 HA ALA 49 HA ALA 49 1.225 17.134 -4.632 366 HB1 ALA 49 3HB ALA 49 0.428 17.598 -6.873 367 HB2 ALA 49 1HB ALA 49 -0.121 15.932 -7.050 368 HB3 ALA 49 2HB ALA 49 1.601 16.282 -6.909 369 H LEU 50 H LEU 50 -1.170 14.898 -4.032 370 HA LEU 50 HA LEU 50 -3.191 17.012 -3.658 371 HB2 LEU 50 2HB LEU 50 -3.374 14.323 -4.824 372 HB3 LEU 50 1HB LEU 50 -4.595 14.651 -3.612 373 HG LEU 50 HG LEU 50 -5.462 15.142 -5.820 374 HD11 LEU 50 1HD1 LEU 50 -6.278 17.359 -5.454 375 HD12 LEU 50 2HD1 LEU 50 -4.930 17.734 -4.383 376 HD13 LEU 50 3HD1 LEU 50 -6.143 16.555 -3.891 377 HD21 LEU 50 3HD2 LEU 50 -4.500 16.978 -7.165 378 HD22 LEU 50 1HD2 LEU 50 -3.420 15.592 -7.012 379 HD23 LEU 50 2HD2 LEU 50 -3.135 17.042 -6.049 380 H GLU 51 H GLU 51 -0.962 15.584 -2.022 381 HA GLU 51 HA GLU 51 -2.314 14.277 0.120 382 HB2 GLU 51 2HB GLU 51 0.135 13.999 -0.558 383 HB3 GLU 51 1HB GLU 51 0.426 15.529 0.257 384 HG2 GLU 51 2HG GLU 51 0.982 13.838 1.798 385 HG3 GLU 51 1HG GLU 51 -0.570 14.486 2.323 Start of MODEL 7 1 H1 GLU 1 1HT GLU 1 -14.154 -1.386 0.917 2 H2 GLU 1 2HT GLU 1 -14.256 0.251 1.307 3 H3 GLU 1 3HT GLU 1 -14.674 -0.919 2.457 4 HA GLU 1 HA GLU 1 -11.984 -0.399 1.354 5 HB2 GLU 1 2HB GLU 1 -13.068 -0.146 4.169 6 HB3 GLU 1 1HB GLU 1 -11.419 0.194 3.663 7 HG2 GLU 1 2HG GLU 1 -13.801 1.663 2.575 8 HG3 GLU 1 1HG GLU 1 -12.916 2.186 4.007 9 H GLN 2 H GLN 2 -10.666 -2.096 1.332 10 HA GLN 2 HA GLN 2 -11.550 -4.640 2.328 11 HB2 GLN 2 2HB GLN 2 -9.239 -5.389 1.546 12 HB3 GLN 2 1HB GLN 2 -10.326 -4.764 0.316 13 HG2 GLN 2 2HG GLN 2 -8.454 -2.865 1.604 14 HG3 GLN 2 1HG GLN 2 -7.789 -4.041 0.471 15 HE21 GLN 2 1HE2 GLN 2 -8.316 -3.900 -1.690 16 HE22 GLN 2 2HE2 GLN 2 -9.077 -2.507 -2.373 17 H VAL 3 H VAL 3 -9.719 -5.999 3.486 18 HA VAL 3 HA VAL 3 -9.606 -5.169 6.122 19 HB VAL 3 HB VAL 3 -7.828 -6.920 6.437 20 HG11 VAL 3 1HG1 VAL 3 -10.273 -7.352 6.563 21 HG12 VAL 3 2HG1 VAL 3 -9.331 -8.754 6.065 22 HG13 VAL 3 3HG1 VAL 3 -10.233 -7.829 4.868 23 HG21 VAL 3 3HG2 VAL 3 -8.214 -7.288 3.466 24 HG22 VAL 3 1HG2 VAL 3 -7.367 -8.414 4.526 25 HG23 VAL 3 2HG2 VAL 3 -6.731 -6.787 4.277 26 H VAL 4 H VAL 4 -7.168 -4.696 3.605 27 HA VAL 4 HA VAL 4 -5.282 -3.577 5.478 28 HB VAL 4 HB VAL 4 -3.930 -3.044 3.454 29 HG11 VAL 4 1HG1 VAL 4 -3.603 -5.142 4.596 30 HG12 VAL 4 2HG1 VAL 4 -3.473 -5.397 2.856 31 HG13 VAL 4 3HG1 VAL 4 -4.939 -5.873 3.709 32 HG21 VAL 4 3HG2 VAL 4 -6.206 -4.385 1.994 33 HG22 VAL 4 1HG2 VAL 4 -4.649 -3.958 1.285 34 HG23 VAL 4 2HG2 VAL 4 -5.733 -2.692 1.860 35 H ALA 5 H ALA 5 -7.882 -2.404 3.570 36 HA ALA 5 HA ALA 5 -6.914 0.314 3.440 37 HB1 ALA 5 3HB ALA 5 -9.070 0.819 2.401 38 HB2 ALA 5 1HB ALA 5 -9.615 -0.824 2.743 39 HB3 ALA 5 2HB ALA 5 -8.278 -0.555 1.623 40 H ILE 6 H ILE 6 -9.275 -1.533 5.332 41 HA ILE 6 HA ILE 6 -10.332 0.712 6.705 42 HB ILE 6 HB ILE 6 -11.141 -0.927 8.397 43 HG12 ILE 6 2HG1 ILE 6 -9.767 -2.944 6.603 44 HG13 ILE 6 1HG1 ILE 6 -9.294 -2.547 8.251 45 HG21 ILE 6 1HG2 ILE 6 -12.687 -2.085 6.875 46 HG22 ILE 6 2HG2 ILE 6 -11.680 -1.609 5.510 47 HG23 ILE 6 3HG2 ILE 6 -12.501 -0.379 6.470 48 HD11 ILE 6 3HD1 ILE 6 -11.417 -3.426 9.071 49 HD12 ILE 6 1HD1 ILE 6 -10.522 -4.639 8.156 50 HD13 ILE 6 2HD1 ILE 6 -11.893 -3.813 7.418 51 H ALA 7 H ALA 7 -7.491 -1.220 7.123 52 HA ALA 7 HA ALA 7 -6.937 -0.349 9.803 53 HB1 ALA 7 3HB ALA 7 -4.805 -1.490 9.522 54 HB2 ALA 7 1HB ALA 7 -5.098 -1.648 7.790 55 HB3 ALA 7 2HB ALA 7 -6.123 -2.507 8.938 56 H SER 8 H SER 8 -5.746 0.464 6.561 57 HA SER 8 HA SER 8 -3.893 2.419 7.495 58 HB2 SER 8 2HB SER 8 -3.862 3.072 5.031 59 HB3 SER 8 1HB SER 8 -3.396 1.417 5.404 60 HG SER 8 HG SER 8 -5.035 0.721 4.306 61 H ASN 9 H ASN 9 -7.255 2.425 6.663 62 HA ASN 9 HA ASN 9 -7.688 5.133 6.116 63 HB2 ASN 9 2HB ASN 9 -9.319 3.136 5.964 64 HB3 ASN 9 1HB ASN 9 -9.634 3.433 7.669 65 HD21 ASN 9 1HD2 ASN 9 -10.311 4.346 4.471 66 HD22 ASN 9 2HD2 ASN 9 -11.346 5.685 4.824 67 H ILE 10 H ILE 10 -7.543 3.387 9.180 68 HA ILE 10 HA ILE 10 -8.312 5.547 10.841 69 HB ILE 10 HB ILE 10 -6.547 3.221 11.624 70 HG12 ILE 10 2HG1 ILE 10 -8.537 2.331 10.563 71 HG13 ILE 10 1HG1 ILE 10 -8.665 2.105 12.302 72 HG21 ILE 10 1HG2 ILE 10 -7.415 3.587 13.856 73 HG22 ILE 10 2HG2 ILE 10 -8.446 4.894 13.270 74 HG23 ILE 10 3HG2 ILE 10 -6.690 5.075 13.246 75 HD11 ILE 10 3HD1 ILE 10 -10.148 4.037 12.441 76 HD12 ILE 10 1HD1 ILE 10 -10.779 2.807 11.346 77 HD13 ILE 10 2HD1 ILE 10 -10.019 4.258 10.696 78 H GLY 11 H GLY 11 -5.218 4.400 9.628 79 HA2 GLY 11 2HA GLY 11 -3.640 6.216 11.186 80 HA3 GLY 11 1HA GLY 11 -3.078 5.246 9.834 81 H GLY 12 H GLY 12 -5.382 6.430 8.226 82 HA2 GLY 12 2HA GLY 12 -5.866 8.378 7.039 83 HA3 GLY 12 1HA GLY 12 -4.613 9.212 7.943 84 H LYS 13 H LYS 13 -3.458 6.309 6.770 85 HA LYS 13 HA LYS 13 -2.428 7.579 4.327 86 HB2 LYS 13 2HB LYS 13 -0.402 5.868 5.130 87 HB3 LYS 13 1HB LYS 13 -0.389 7.621 5.238 88 HG2 LYS 13 2HG LYS 13 -1.617 7.140 7.527 89 HG3 LYS 13 1HG LYS 13 -0.802 5.581 7.361 90 HD2 LYS 13 2HD LYS 13 1.345 6.749 7.115 91 HD3 LYS 13 1HD LYS 13 0.521 8.299 7.301 92 HE2 LYS 13 2HE LYS 13 1.283 7.933 9.440 93 HE3 LYS 13 1HE LYS 13 -0.339 7.248 9.530 94 HZ1 LYS 13 3HZ LYS 13 1.367 5.822 10.530 95 HZ2 LYS 13 1HZ LYS 13 2.128 5.684 9.028 96 HZ3 LYS 13 2HZ LYS 13 0.570 5.057 9.245 97 H GLN 14 H GLN 14 -4.108 6.426 3.287 98 HA GLN 14 HA GLN 14 -4.414 3.628 3.355 99 HB2 GLN 14 2HB GLN 14 -5.803 5.700 2.254 100 HB3 GLN 14 1HB GLN 14 -5.106 4.953 0.825 101 HG2 GLN 14 2HG GLN 14 -6.024 2.749 1.835 102 HG3 GLN 14 1HG GLN 14 -7.048 3.820 2.791 103 HE21 GLN 14 1HE2 GLN 14 -8.957 3.203 1.820 104 HE22 GLN 14 2HE2 GLN 14 -9.341 3.597 0.182 105 H ALA 15 H ALA 15 -2.286 5.696 1.484 106 HA ALA 15 HA ALA 15 -1.431 3.380 -0.100 107 HB1 ALA 15 3HB ALA 15 -0.391 4.937 -1.597 108 HB2 ALA 15 1HB ALA 15 -0.684 6.271 -0.482 109 HB3 ALA 15 2HB ALA 15 -2.040 5.473 -1.277 110 H LEU 16 H LEU 16 -0.682 4.184 2.805 111 HA LEU 16 HA LEU 16 2.214 3.840 2.399 112 HB2 LEU 16 2HB LEU 16 0.922 6.007 3.671 113 HB3 LEU 16 1HB LEU 16 1.692 5.065 4.934 114 HG LEU 16 HG LEU 16 3.113 6.133 2.491 115 HD11 LEU 16 1HD1 LEU 16 4.110 7.761 4.022 116 HD12 LEU 16 2HD1 LEU 16 3.082 7.161 5.326 117 HD13 LEU 16 3HD1 LEU 16 2.357 7.952 3.924 118 HD21 LEU 16 3HD2 LEU 16 5.143 5.558 3.743 119 HD22 LEU 16 1HD2 LEU 16 4.157 4.135 3.408 120 HD23 LEU 16 2HD2 LEU 16 4.150 4.854 5.019 121 H GLU 17 H GLU 17 -0.511 3.314 4.639 122 HA GLU 17 HA GLU 17 0.986 1.424 6.200 123 HB2 GLU 17 2HB GLU 17 -1.457 2.813 6.472 124 HB3 GLU 17 1HB GLU 17 -1.851 1.101 6.502 125 HG2 GLU 17 2HG GLU 17 -1.512 1.592 8.724 126 HG3 GLU 17 1HG GLU 17 0.039 0.914 8.235 127 H THR 18 H THR 18 -1.339 1.261 3.577 128 HA THR 18 HA THR 18 -1.903 -1.470 3.637 129 HB THR 18 HB THR 18 -1.833 0.375 1.248 130 HG1 THR 18 HG1 THR 18 -3.601 1.178 2.061 131 HG21 THR 18 3HG2 THR 18 -3.260 -2.256 1.675 132 HG22 THR 18 1HG2 THR 18 -1.938 -1.951 0.547 133 HG23 THR 18 2HG2 THR 18 -3.503 -1.177 0.300 134 H VAL 19 H VAL 19 0.666 0.284 1.878 135 HA VAL 19 HA VAL 19 1.630 -1.948 0.471 136 HB VAL 19 HB VAL 19 2.268 0.284 -0.215 137 HG11 VAL 19 1HG1 VAL 19 3.903 1.604 1.043 138 HG12 VAL 19 2HG1 VAL 19 3.836 0.423 2.352 139 HG13 VAL 19 3HG1 VAL 19 2.407 1.371 1.944 140 HG21 VAL 19 3HG2 VAL 19 3.749 -1.425 -0.940 141 HG22 VAL 19 1HG2 VAL 19 4.564 -1.467 0.623 142 HG23 VAL 19 2HG2 VAL 19 4.748 -0.066 -0.430 143 H GLN 20 H GLN 20 2.311 -0.756 3.703 144 HA GLN 20 HA GLN 20 4.495 -2.556 4.161 145 HB2 GLN 20 2HB GLN 20 4.298 -0.437 5.396 146 HB3 GLN 20 1HB GLN 20 2.804 -1.004 6.132 147 HG2 GLN 20 2HG GLN 20 4.185 -2.946 7.030 148 HG3 GLN 20 1HG GLN 20 5.597 -1.995 6.572 149 HE21 GLN 20 1HE2 GLN 20 4.644 -2.856 9.197 150 HE22 GLN 20 2HE2 GLN 20 4.478 -1.408 10.130 151 H ARG 21 H ARG 21 1.040 -2.518 4.859 152 HA ARG 21 HA ARG 21 1.027 -4.835 6.477 153 HB2 ARG 21 2HB ARG 21 -0.784 -3.125 6.405 154 HB3 ARG 21 1HB ARG 21 -1.246 -3.731 4.820 155 HG2 ARG 21 2HG ARG 21 -2.685 -4.613 6.587 156 HG3 ARG 21 1HG ARG 21 -1.784 -5.898 5.784 157 HD2 ARG 21 2HD ARG 21 -0.128 -5.810 7.642 158 HD3 ARG 21 1HD ARG 21 -1.177 -4.655 8.460 159 HE ARG 21 HE ARG 21 -2.667 -6.357 8.943 160 HH11 ARG 21 1HH1 ARG 21 -0.127 -7.550 6.828 161 HH12 ARG 21 2HH1 ARG 21 -0.468 -9.218 7.150 162 HH21 ARG 21 1HH2 ARG 21 -3.137 -8.548 9.339 163 HH22 ARG 21 2HH2 ARG 21 -2.192 -9.788 8.571 164 H LEU 22 H LEU 22 0.786 -4.338 3.016 165 HA LEU 22 HA LEU 22 0.214 -7.155 2.552 166 HB2 LEU 22 2HB LEU 22 0.489 -4.769 0.735 167 HB3 LEU 22 1HB LEU 22 0.349 -6.402 0.113 168 HG LEU 22 HG LEU 22 -1.717 -5.067 1.866 169 HD11 LEU 22 1HD1 LEU 22 -1.710 -5.518 -1.113 170 HD12 LEU 22 2HD1 LEU 22 -1.566 -3.962 -0.296 171 HD13 LEU 22 3HD1 LEU 22 -3.057 -4.891 -0.163 172 HD21 LEU 22 3HD2 LEU 22 -1.766 -7.469 2.096 173 HD22 LEU 22 1HD2 LEU 22 -1.718 -7.674 0.345 174 HD23 LEU 22 2HD2 LEU 22 -3.135 -6.956 1.109 175 H LEU 23 H LEU 23 2.932 -5.268 3.035 176 HA LEU 23 HA LEU 23 4.763 -6.199 1.166 177 HB2 LEU 23 2HB LEU 23 5.202 -4.334 2.694 178 HB3 LEU 23 1HB LEU 23 5.268 -5.446 4.044 179 HG LEU 23 HG LEU 23 7.180 -6.528 2.498 180 HD11 LEU 23 1HD1 LEU 23 8.481 -4.851 1.415 181 HD12 LEU 23 2HD1 LEU 23 7.407 -3.571 1.978 182 HD13 LEU 23 3HD1 LEU 23 6.837 -4.741 0.789 183 HD21 LEU 23 3HD2 LEU 23 7.519 -4.197 4.381 184 HD22 LEU 23 1HD2 LEU 23 8.788 -5.324 3.897 185 HD23 LEU 23 2HD2 LEU 23 7.408 -5.898 4.834 186 HA PRO 24 HA PRO 24 6.044 -9.777 4.235 187 HB2 PRO 24 2HB PRO 24 4.054 -10.554 5.969 188 HB3 PRO 24 1HB PRO 24 5.392 -9.488 6.407 189 HG2 PRO 24 2HG PRO 24 2.592 -8.783 5.605 190 HG3 PRO 24 1HG PRO 24 3.583 -8.110 6.913 191 HD2 PRO 24 2HD PRO 24 3.284 -6.793 4.618 192 HD3 PRO 24 1HD PRO 24 4.852 -6.816 5.454 193 H VAL 25 H VAL 25 2.673 -9.385 3.334 194 HA VAL 25 HA VAL 25 2.082 -12.095 2.832 195 HB VAL 25 HB VAL 25 0.858 -9.612 1.608 196 HG11 VAL 25 1HG1 VAL 25 0.338 -11.533 0.243 197 HG12 VAL 25 2HG1 VAL 25 -1.095 -11.065 1.157 198 HG13 VAL 25 3HG1 VAL 25 -0.140 -12.457 1.667 199 HG21 VAL 25 3HG2 VAL 25 -0.019 -11.269 3.972 200 HG22 VAL 25 1HG2 VAL 25 -0.888 -9.894 3.298 201 HG23 VAL 25 2HG2 VAL 25 0.691 -9.659 4.044 202 H LEU 26 H LEU 26 2.969 -9.443 0.635 203 HA LEU 26 HA LEU 26 3.132 -11.095 -1.663 204 HB2 LEU 26 2HB LEU 26 3.647 -8.298 -0.982 205 HB3 LEU 26 1HB LEU 26 4.693 -8.921 -2.241 206 HG LEU 26 HG LEU 26 2.758 -7.835 -3.219 207 HD11 LEU 26 1HD1 LEU 26 2.034 -9.560 -4.701 208 HD12 LEU 26 2HD1 LEU 26 2.451 -10.815 -3.537 209 HD13 LEU 26 3HD1 LEU 26 3.724 -9.860 -4.301 210 HD21 LEU 26 3HD2 LEU 26 1.197 -8.099 -1.364 211 HD22 LEU 26 1HD2 LEU 26 1.104 -9.831 -1.676 212 HD23 LEU 26 2HD2 LEU 26 0.494 -8.687 -2.871 213 H CYS 27 H CYS 27 5.492 -10.113 0.758 214 HA CYS 27 HA CYS 27 7.778 -10.980 -0.694 215 HB2 CYS 27 2HB CYS 27 7.315 -10.538 2.254 216 HB3 CYS 27 1HB CYS 27 8.875 -10.999 1.587 217 HG CYS 27 HG CYS 27 7.714 -8.381 -0.041 218 H GLN 28 H GLN 28 5.516 -12.582 1.440 219 HA GLN 28 HA GLN 28 7.100 -14.984 1.629 220 HB2 GLN 28 2HB GLN 28 5.725 -14.412 3.504 221 HB3 GLN 28 1HB GLN 28 4.294 -14.300 2.496 222 HG2 GLN 28 2HG GLN 28 4.576 -16.759 2.020 223 HG3 GLN 28 1HG GLN 28 5.799 -16.772 3.290 224 HE21 GLN 28 1HE2 GLN 28 5.178 -16.639 5.411 225 HE22 GLN 28 2HE2 GLN 28 3.528 -16.718 5.916 226 H ALA 29 H ALA 29 4.143 -13.991 -0.056 227 HA ALA 29 HA ALA 29 3.772 -16.562 -1.272 228 HB1 ALA 29 3HB ALA 29 1.940 -15.505 -2.468 229 HB2 ALA 29 1HB ALA 29 2.466 -13.924 -1.894 230 HB3 ALA 29 2HB ALA 29 1.877 -15.130 -0.746 231 H HIS 30 H HIS 30 5.492 -13.672 -2.160 232 HA HIS 30 HA HIS 30 6.153 -14.957 -4.724 233 HB2 HIS 30 2HB HIS 30 4.932 -12.315 -4.288 234 HB3 HIS 30 1HB HIS 30 6.325 -12.305 -5.362 235 HD1 HIS 30 HD1 HIS 30 6.099 -13.603 -7.613 236 HD2 HIS 30 HD2 HIS 30 2.634 -13.486 -5.318 237 HE1 HIS 30 HE1 HIS 30 4.245 -14.313 -9.150 238 HE2 HIS 30 HE2 HIS 30 2.141 -14.110 -7.778 239 H GLY 31 H GLY 31 7.061 -11.995 -2.974 240 HA2 GLY 31 2HA GLY 31 9.268 -12.016 -1.836 241 HA3 GLY 31 1HA GLY 31 9.884 -12.821 -3.275 242 H LEU 32 H LEU 32 8.527 -11.322 -5.208 243 HA LEU 32 HA LEU 32 10.253 -9.140 -5.565 244 HB2 LEU 32 2HB LEU 32 9.204 -10.214 -7.448 245 HB3 LEU 32 1HB LEU 32 7.608 -9.812 -6.847 246 HG LEU 32 HG LEU 32 8.175 -7.387 -7.184 247 HD11 LEU 32 1HD1 LEU 32 10.543 -8.521 -8.662 248 HD12 LEU 32 2HD1 LEU 32 10.607 -7.613 -7.151 249 HD13 LEU 32 3HD1 LEU 32 10.048 -6.830 -8.628 250 HD21 LEU 32 3HD2 LEU 32 8.320 -9.109 -9.655 251 HD22 LEU 32 1HD2 LEU 32 7.795 -7.427 -9.571 252 HD23 LEU 32 2HD2 LEU 32 6.839 -8.688 -8.791 253 H THR 33 H THR 33 6.846 -9.253 -4.595 254 HA THR 33 HA THR 33 5.494 -7.793 -3.518 255 HB THR 33 HB THR 33 7.936 -6.327 -2.548 256 HG1 THR 33 HG1 THR 33 8.475 -8.403 -2.072 257 HG21 THR 33 3HG2 THR 33 6.511 -6.240 -0.457 258 HG22 THR 33 1HG2 THR 33 5.189 -6.875 -1.434 259 HG23 THR 33 2HG2 THR 33 5.907 -5.313 -1.832 260 HA PRO 34 HA PRO 34 6.034 -4.759 -6.974 261 HB2 PRO 34 2HB PRO 34 3.177 -5.296 -7.370 262 HB3 PRO 34 1HB PRO 34 4.506 -5.409 -8.526 263 HG2 PRO 34 2HG PRO 34 3.255 -7.593 -7.557 264 HG3 PRO 34 1HG PRO 34 4.979 -7.593 -7.971 265 HD2 PRO 34 2HD PRO 34 3.668 -7.386 -5.286 266 HD3 PRO 34 1HD PRO 34 5.122 -8.288 -5.761 267 H GLU 35 H GLU 35 4.134 -5.018 -4.157 268 HA GLU 35 HA GLU 35 2.509 -2.758 -4.286 269 HB2 GLU 35 2HB GLU 35 3.903 -3.807 -1.814 270 HB3 GLU 35 1HB GLU 35 2.436 -2.842 -1.866 271 HG2 GLU 35 2HG GLU 35 2.799 -5.691 -2.735 272 HG3 GLU 35 1HG GLU 35 1.788 -5.073 -1.431 273 H GLN 36 H GLN 36 5.910 -3.091 -3.455 274 HA GLN 36 HA GLN 36 6.236 -0.364 -2.639 275 HB2 GLN 36 2HB GLN 36 7.665 -2.373 -1.956 276 HB3 GLN 36 1HB GLN 36 8.414 -2.254 -3.541 277 HG2 GLN 36 2HG GLN 36 8.354 0.221 -1.935 278 HG3 GLN 36 1HG GLN 36 9.388 -1.077 -1.343 279 HE21 GLN 36 1HE2 GLN 36 10.159 1.497 -2.364 280 HE22 GLN 36 2HE2 GLN 36 11.171 1.209 -3.735 281 H VAL 37 H VAL 37 6.116 -2.022 -5.604 282 HA VAL 37 HA VAL 37 7.586 -0.009 -7.098 283 HB VAL 37 HB VAL 37 6.124 -2.407 -8.198 284 HG11 VAL 37 1HG1 VAL 37 8.423 -0.798 -9.303 285 HG12 VAL 37 2HG1 VAL 37 6.742 -0.668 -9.822 286 HG13 VAL 37 3HG1 VAL 37 7.635 -2.169 -10.086 287 HG21 VAL 37 3HG2 VAL 37 7.733 -3.129 -6.501 288 HG22 VAL 37 1HG2 VAL 37 9.003 -2.225 -7.324 289 HG23 VAL 37 2HG2 VAL 37 8.245 -3.603 -8.121 290 H VAL 38 H VAL 38 4.238 -1.017 -6.555 291 HA VAL 38 HA VAL 38 3.417 1.050 -8.472 292 HB VAL 38 HB VAL 38 2.499 -1.100 -9.039 293 HG11 VAL 38 1HG1 VAL 38 2.530 -2.140 -6.820 294 HG12 VAL 38 2HG1 VAL 38 0.963 -2.320 -7.610 295 HG13 VAL 38 3HG1 VAL 38 1.175 -1.124 -6.334 296 HG21 VAL 38 3HG2 VAL 38 0.111 -0.540 -9.091 297 HG22 VAL 38 1HG2 VAL 38 1.130 0.833 -9.518 298 HG23 VAL 38 2HG2 VAL 38 0.400 0.742 -7.916 299 H ALA 39 H ALA 39 2.424 -0.159 -5.230 300 HA ALA 39 HA ALA 39 0.626 1.942 -4.727 301 HB1 ALA 39 3HB ALA 39 0.622 -0.146 -3.453 302 HB2 ALA 39 1HB ALA 39 0.705 1.263 -2.396 303 HB3 ALA 39 2HB ALA 39 2.155 0.307 -2.707 304 H ILE 40 H ILE 40 3.970 1.530 -3.546 305 HA ILE 40 HA ILE 40 4.151 4.032 -2.286 306 HB ILE 40 HB ILE 40 6.182 2.078 -3.305 307 HG12 ILE 40 2HG1 ILE 40 4.995 1.745 -1.148 308 HG13 ILE 40 1HG1 ILE 40 6.740 1.874 -0.961 309 HG21 ILE 40 1HG2 ILE 40 6.852 4.809 -2.215 310 HG22 ILE 40 2HG2 ILE 40 7.214 4.196 -3.829 311 HG23 ILE 40 3HG2 ILE 40 8.004 3.488 -2.418 312 HD11 ILE 40 3HD1 ILE 40 5.706 3.100 0.798 313 HD12 ILE 40 1HD1 ILE 40 4.674 3.971 -0.335 314 HD13 ILE 40 2HD1 ILE 40 6.412 4.263 -0.322 315 H ALA 41 H ALA 41 4.882 3.044 -5.597 316 HA ALA 41 HA ALA 41 6.013 5.480 -6.452 317 HB1 ALA 41 3HB ALA 41 4.612 3.359 -8.066 318 HB2 ALA 41 1HB ALA 41 6.332 3.410 -7.682 319 HB3 ALA 41 2HB ALA 41 5.623 4.648 -8.718 320 H SER 42 H SER 42 2.689 4.247 -6.520 321 HA SER 42 HA SER 42 1.602 6.433 -7.951 322 HB2 SER 42 2HB SER 42 0.201 4.589 -5.997 323 HB3 SER 42 1HB SER 42 -0.578 5.609 -7.207 324 HG SER 42 HG SER 42 1.119 3.376 -7.629 325 H HIS 43 H HIS 43 2.308 5.885 -4.566 326 HA HIS 43 HA HIS 43 0.831 8.168 -3.662 327 HB2 HIS 43 2HB HIS 43 1.335 6.216 -2.192 328 HB3 HIS 43 1HB HIS 43 3.032 6.689 -2.207 329 HD1 HIS 43 HD1 HIS 43 3.700 8.080 -0.267 330 HD2 HIS 43 HD2 HIS 43 -0.339 8.519 -1.157 331 HE1 HIS 43 HE1 HIS 43 2.784 9.641 1.482 332 HE2 HIS 43 HE2 HIS 43 0.381 10.032 0.818 333 H ASP 44 H ASP 44 4.298 7.466 -4.088 334 HA ASP 44 HA ASP 44 5.161 10.071 -3.385 335 HB2 ASP 44 2HB ASP 44 6.691 8.210 -3.264 336 HB3 ASP 44 1HB ASP 44 6.511 7.898 -4.987 337 H GLY 45 H GLY 45 4.623 8.527 -6.553 338 HA2 GLY 45 2HA GLY 45 4.978 11.179 -7.796 339 HA3 GLY 45 1HA GLY 45 5.154 9.642 -8.627 340 H GLY 46 H GLY 46 2.640 11.267 -6.683 341 HA2 GLY 46 2HA GLY 46 0.811 11.705 -8.694 342 HA3 GLY 46 1HA GLY 46 0.531 10.049 -8.175 343 H LYS 47 H LYS 47 0.129 9.714 -5.856 344 HA LYS 47 HA LYS 47 -1.989 11.340 -4.973 345 HB2 LYS 47 2HB LYS 47 -1.375 8.862 -4.426 346 HB3 LYS 47 1HB LYS 47 -0.470 9.570 -3.096 347 HG2 LYS 47 2HG LYS 47 -2.581 8.969 -2.232 348 HG3 LYS 47 1HG LYS 47 -2.590 10.724 -2.405 349 HD2 LYS 47 2HD LYS 47 -3.864 10.565 -4.444 350 HD3 LYS 47 1HD LYS 47 -3.751 8.805 -4.419 351 HE2 LYS 47 2HE LYS 47 -5.165 10.538 -2.396 352 HE3 LYS 47 1HE LYS 47 -5.931 9.545 -3.635 353 HZ1 LYS 47 3HZ LYS 47 -4.860 7.592 -2.558 354 HZ2 LYS 47 1HZ LYS 47 -6.011 8.365 -1.594 355 HZ3 LYS 47 2HZ LYS 47 -4.368 8.605 -1.294 356 H GLN 48 H GLN 48 1.423 11.519 -4.391 357 HA GLN 48 HA GLN 48 1.429 12.986 -2.005 358 HB2 GLN 48 2HB GLN 48 3.393 11.879 -3.242 359 HB3 GLN 48 1HB GLN 48 3.458 13.357 -4.192 360 HG2 GLN 48 2HG GLN 48 5.067 13.527 -2.447 361 HG3 GLN 48 1HG GLN 48 3.746 14.631 -2.074 362 HE21 GLN 48 1HE2 GLN 48 5.727 13.443 -0.304 363 HE22 GLN 48 2HE2 GLN 48 4.840 12.583 0.903 364 H ALA 49 H ALA 49 0.654 13.930 -5.240 365 HA ALA 49 HA ALA 49 1.015 16.756 -4.721 366 HB1 ALA 49 3HB ALA 49 0.099 17.060 -6.986 367 HB2 ALA 49 1HB ALA 49 -0.204 15.324 -7.076 368 HB3 ALA 49 2HB ALA 49 1.449 15.925 -6.953 369 H LEU 50 H LEU 50 -1.340 14.444 -4.096 370 HA LEU 50 HA LEU 50 -3.503 16.433 -4.059 371 HB2 LEU 50 2HB LEU 50 -3.542 13.421 -4.037 372 HB3 LEU 50 1HB LEU 50 -4.959 14.375 -3.652 373 HG LEU 50 HG LEU 50 -5.340 13.921 -5.863 374 HD11 LEU 50 1HD1 LEU 50 -5.005 15.885 -7.158 375 HD12 LEU 50 2HD1 LEU 50 -3.621 16.367 -6.178 376 HD13 LEU 50 3HD1 LEU 50 -5.241 16.383 -5.484 377 HD21 LEU 50 3HD2 LEU 50 -3.604 13.816 -7.599 378 HD22 LEU 50 1HD2 LEU 50 -3.308 12.684 -6.281 379 HD23 LEU 50 2HD2 LEU 50 -2.384 14.183 -6.380 380 H GLU 51 H GLU 51 -1.414 14.607 -2.047 381 HA GLU 51 HA GLU 51 -3.101 15.003 0.301 382 HB2 GLU 51 2HB GLU 51 -0.564 13.459 -0.190 383 HB3 GLU 51 1HB GLU 51 -1.159 13.755 1.437 384 HG2 GLU 51 2HG GLU 51 -3.230 12.608 0.920 385 HG3 GLU 51 1HG GLU 51 -2.703 12.363 -0.742 Start of MODEL 8 1 H1 GLU 1 1HT GLU 1 -13.796 -1.751 1.770 2 H2 GLU 1 2HT GLU 1 -12.322 -2.552 1.539 3 H3 GLU 1 3HT GLU 1 -12.681 -1.842 3.037 4 HA GLU 1 HA GLU 1 -14.458 -3.370 3.419 5 HB2 GLU 1 2HB GLU 1 -14.937 -5.204 1.916 6 HB3 GLU 1 1HB GLU 1 -15.101 -3.685 1.054 7 HG2 GLU 1 2HG GLU 1 -12.721 -5.520 0.894 8 HG3 GLU 1 1HG GLU 1 -14.024 -5.438 -0.289 9 H GLN 2 H GLN 2 -11.361 -4.225 1.868 10 HA GLN 2 HA GLN 2 -10.935 -6.425 3.676 11 HB2 GLN 2 2HB GLN 2 -10.063 -6.268 1.298 12 HB3 GLN 2 1HB GLN 2 -8.885 -5.109 1.895 13 HG2 GLN 2 2HG GLN 2 -7.858 -6.736 3.284 14 HG3 GLN 2 1HG GLN 2 -9.163 -7.886 3.009 15 HE21 GLN 2 1HE2 GLN 2 -7.858 -5.946 0.427 16 HE22 GLN 2 2HE2 GLN 2 -7.032 -7.227 -0.386 17 H VAL 3 H VAL 3 -9.346 -6.572 5.275 18 HA VAL 3 HA VAL 3 -9.164 -4.437 7.041 19 HB VAL 3 HB VAL 3 -7.341 -5.756 8.168 20 HG11 VAL 3 1HG1 VAL 3 -8.816 -7.547 8.871 21 HG12 VAL 3 2HG1 VAL 3 -9.834 -7.294 7.450 22 HG13 VAL 3 3HG1 VAL 3 -9.724 -6.044 8.689 23 HG21 VAL 3 3HG2 VAL 3 -6.876 -8.010 7.345 24 HG22 VAL 3 1HG2 VAL 3 -6.376 -6.786 6.175 25 HG23 VAL 3 2HG2 VAL 3 -7.866 -7.699 5.919 26 H VAL 4 H VAL 4 -7.077 -5.256 4.374 27 HA VAL 4 HA VAL 4 -4.854 -3.683 5.223 28 HB VAL 4 HB VAL 4 -3.927 -4.029 3.037 29 HG11 VAL 4 1HG1 VAL 4 -3.847 -5.923 4.559 30 HG12 VAL 4 2HG1 VAL 4 -3.991 -6.468 2.888 31 HG13 VAL 4 3HG1 VAL 4 -5.401 -6.496 3.947 32 HG21 VAL 4 3HG2 VAL 4 -6.627 -5.083 2.200 33 HG22 VAL 4 1HG2 VAL 4 -5.164 -5.078 1.214 34 HG23 VAL 4 2HG2 VAL 4 -5.911 -3.553 1.692 35 H ALA 5 H ALA 5 -7.892 -2.855 4.017 36 HA ALA 5 HA ALA 5 -6.896 -0.304 2.953 37 HB1 ALA 5 3HB ALA 5 -9.091 -0.049 1.913 38 HB2 ALA 5 1HB ALA 5 -9.620 -1.565 2.644 39 HB3 ALA 5 2HB ALA 5 -8.336 -1.570 1.433 40 H ILE 6 H ILE 6 -9.148 -1.746 5.239 41 HA ILE 6 HA ILE 6 -10.313 0.593 6.246 42 HB ILE 6 HB ILE 6 -9.776 -1.986 7.728 43 HG12 ILE 6 2HG1 ILE 6 -12.257 -1.131 6.228 44 HG13 ILE 6 1HG1 ILE 6 -11.045 -2.232 5.580 45 HG21 ILE 6 1HG2 ILE 6 -11.749 0.228 8.274 46 HG22 ILE 6 2HG2 ILE 6 -10.339 -0.185 9.248 47 HG23 ILE 6 3HG2 ILE 6 -11.687 -1.314 9.125 48 HD11 ILE 6 3HD1 ILE 6 -12.711 -2.702 8.040 49 HD12 ILE 6 1HD1 ILE 6 -11.516 -3.808 7.370 50 HD13 ILE 6 2HD1 ILE 6 -12.974 -3.427 6.454 51 H ALA 7 H ALA 7 -7.580 -1.291 7.554 52 HA ALA 7 HA ALA 7 -6.996 0.437 9.687 53 HB1 ALA 7 3HB ALA 7 -4.841 -0.706 9.801 54 HB2 ALA 7 1HB ALA 7 -5.124 -1.410 8.209 55 HB3 ALA 7 2HB ALA 7 -6.159 -1.856 9.567 56 H SER 8 H SER 8 -5.904 0.415 6.352 57 HA SER 8 HA SER 8 -3.893 2.378 6.634 58 HB2 SER 8 2HB SER 8 -5.456 1.624 4.156 59 HB3 SER 8 1HB SER 8 -3.886 2.429 4.207 60 HG SER 8 HG SER 8 -4.346 -0.159 4.166 61 H ASN 9 H ASN 9 -7.325 2.524 5.837 62 HA ASN 9 HA ASN 9 -7.404 5.244 5.104 63 HB2 ASN 9 2HB ASN 9 -9.231 3.609 4.660 64 HB3 ASN 9 1HB ASN 9 -9.623 3.622 6.372 65 HD21 ASN 9 1HD2 ASN 9 -9.710 5.381 3.399 66 HD22 ASN 9 2HD2 ASN 9 -10.791 6.623 3.917 67 H ILE 10 H ILE 10 -8.030 3.637 8.210 68 HA ILE 10 HA ILE 10 -8.518 6.045 9.641 69 HB ILE 10 HB ILE 10 -8.078 3.191 10.401 70 HG12 ILE 10 2HG1 ILE 10 -10.221 3.690 11.676 71 HG13 ILE 10 1HG1 ILE 10 -10.215 5.266 10.896 72 HG21 ILE 10 1HG2 ILE 10 -8.000 5.450 12.392 73 HG22 ILE 10 2HG2 ILE 10 -6.688 4.333 12.024 74 HG23 ILE 10 3HG2 ILE 10 -8.161 3.740 12.792 75 HD11 ILE 10 3HD1 ILE 10 -11.673 3.839 9.679 76 HD12 ILE 10 1HD1 ILE 10 -10.448 2.574 9.579 77 HD13 ILE 10 2HD1 ILE 10 -10.225 4.086 8.701 78 H GLY 11 H GLY 11 -5.645 4.139 8.984 79 HA2 GLY 11 2HA GLY 11 -3.930 5.390 10.852 80 HA3 GLY 11 1HA GLY 11 -3.422 4.518 9.413 81 H GLY 12 H GLY 12 -5.024 6.320 7.683 82 HA2 GLY 12 2HA GLY 12 -4.988 8.616 7.010 83 HA3 GLY 12 1HA GLY 12 -3.538 8.839 7.983 84 H LYS 13 H LYS 13 -1.997 6.729 7.149 85 HA LYS 13 HA LYS 13 -1.206 7.663 4.516 86 HB2 LYS 13 2HB LYS 13 0.146 5.493 6.103 87 HB3 LYS 13 1HB LYS 13 0.848 6.548 4.885 88 HG2 LYS 13 2HG LYS 13 0.619 8.448 6.413 89 HG3 LYS 13 1HG LYS 13 -0.067 7.375 7.633 90 HD2 LYS 13 2HD LYS 13 2.701 7.169 6.445 91 HD3 LYS 13 1HD LYS 13 2.313 7.796 8.046 92 HE2 LYS 13 2HE LYS 13 1.894 4.978 7.055 93 HE3 LYS 13 1HE LYS 13 3.099 5.513 8.221 94 HZ1 LYS 13 3HZ LYS 13 0.907 6.368 9.416 95 HZ2 LYS 13 1HZ LYS 13 1.527 4.815 9.656 96 HZ3 LYS 13 2HZ LYS 13 0.243 5.050 8.577 97 H GLN 14 H GLN 14 -3.235 6.766 3.639 98 HA GLN 14 HA GLN 14 -4.081 4.193 3.548 99 HB2 GLN 14 2HB GLN 14 -5.082 6.229 2.431 100 HB3 GLN 14 1HB GLN 14 -3.974 5.935 1.097 101 HG2 GLN 14 2HG GLN 14 -4.965 3.715 0.778 102 HG3 GLN 14 1HG GLN 14 -6.102 4.050 2.083 103 HE21 GLN 14 1HE2 GLN 14 -6.568 3.467 -0.730 104 HE22 GLN 14 2HE2 GLN 14 -7.462 4.803 -1.362 105 H ALA 15 H ALA 15 -1.607 5.560 1.392 106 HA ALA 15 HA ALA 15 -1.193 3.117 -0.005 107 HB1 ALA 15 3HB ALA 15 0.567 5.554 0.123 108 HB2 ALA 15 1HB ALA 15 -0.752 5.295 -1.018 109 HB3 ALA 15 2HB ALA 15 0.670 4.252 -1.065 110 H LEU 16 H LEU 16 0.772 4.838 2.427 111 HA LEU 16 HA LEU 16 2.852 2.958 2.516 112 HB2 LEU 16 2HB LEU 16 2.182 5.375 3.825 113 HB3 LEU 16 1HB LEU 16 2.557 4.195 5.067 114 HG LEU 16 HG LEU 16 4.380 4.866 2.753 115 HD11 LEU 16 1HD1 LEU 16 4.143 6.785 4.215 116 HD12 LEU 16 2HD1 LEU 16 5.727 6.044 4.435 117 HD13 LEU 16 3HD1 LEU 16 4.457 5.777 5.625 118 HD21 LEU 16 3HD2 LEU 16 6.053 3.640 4.046 119 HD22 LEU 16 1HD2 LEU 16 4.680 2.606 3.641 120 HD23 LEU 16 2HD2 LEU 16 4.840 3.265 5.272 121 H GLU 17 H GLU 17 -0.022 3.285 4.598 122 HA GLU 17 HA GLU 17 0.582 1.201 6.372 123 HB2 GLU 17 2HB GLU 17 -1.525 2.996 5.969 124 HB3 GLU 17 1HB GLU 17 -2.260 1.406 5.819 125 HG2 GLU 17 2HG GLU 17 -2.496 1.750 8.054 126 HG3 GLU 17 1HG GLU 17 -0.928 0.947 8.036 127 H THR 18 H THR 18 -1.095 1.224 3.272 128 HA THR 18 HA THR 18 -1.934 -1.449 3.238 129 HB THR 18 HB THR 18 -1.340 0.532 1.046 130 HG1 THR 18 HG1 THR 18 -3.261 0.734 2.354 131 HG21 THR 18 3HG2 THR 18 -2.379 -2.284 0.694 132 HG22 THR 18 1HG2 THR 18 -0.839 -1.653 0.099 133 HG23 THR 18 2HG2 THR 18 -2.356 -1.037 -0.556 134 H VAL 19 H VAL 19 1.036 0.086 2.058 135 HA VAL 19 HA VAL 19 2.167 -2.236 0.928 136 HB VAL 19 HB VAL 19 3.523 0.259 1.962 137 HG11 VAL 19 1HG1 VAL 19 5.458 -0.406 0.650 138 HG12 VAL 19 2HG1 VAL 19 4.642 -1.891 0.162 139 HG13 VAL 19 3HG1 VAL 19 5.084 -1.644 1.849 140 HG21 VAL 19 3HG2 VAL 19 2.818 -0.560 -0.852 141 HG22 VAL 19 1HG2 VAL 19 3.547 0.961 -0.340 142 HG23 VAL 19 2HG2 VAL 19 1.892 0.576 0.129 143 H GLN 20 H GLN 20 2.615 -0.737 4.135 144 HA GLN 20 HA GLN 20 4.534 -2.634 5.002 145 HB2 GLN 20 2HB GLN 20 3.712 -0.253 5.958 146 HB3 GLN 20 1HB GLN 20 2.855 -1.329 7.055 147 HG2 GLN 20 2HG GLN 20 4.890 -2.344 7.765 148 HG3 GLN 20 1HG GLN 20 5.809 -1.491 6.525 149 HE21 GLN 20 1HE2 GLN 20 7.179 -0.474 7.920 150 HE22 GLN 20 2HE2 GLN 20 6.671 0.763 9.026 151 H ARG 21 H ARG 21 1.199 -2.917 4.563 152 HA ARG 21 HA ARG 21 0.985 -5.090 6.516 153 HB2 ARG 21 2HB ARG 21 -0.787 -3.358 6.518 154 HB3 ARG 21 1HB ARG 21 -1.190 -3.790 4.863 155 HG2 ARG 21 2HG ARG 21 -2.783 -4.832 6.270 156 HG3 ARG 21 1HG ARG 21 -1.702 -6.098 5.685 157 HD2 ARG 21 2HD ARG 21 -1.899 -6.591 7.943 158 HD3 ARG 21 1HD ARG 21 -0.400 -5.671 7.871 159 HE ARG 21 HE ARG 21 -2.992 -4.585 8.766 160 HH11 ARG 21 1HH1 ARG 21 0.513 -4.601 8.853 161 HH12 ARG 21 2HH1 ARG 21 0.614 -3.388 10.087 162 HH21 ARG 21 1HH2 ARG 21 -2.853 -3.010 10.415 163 HH22 ARG 21 2HH2 ARG 21 -1.300 -2.496 10.986 164 H LEU 22 H LEU 22 0.852 -4.439 3.061 165 HA LEU 22 HA LEU 22 0.128 -7.174 2.440 166 HB2 LEU 22 2HB LEU 22 0.662 -4.733 0.780 167 HB3 LEU 22 1HB LEU 22 0.531 -6.317 0.039 168 HG LEU 22 HG LEU 22 -1.622 -4.922 1.635 169 HD11 LEU 22 1HD1 LEU 22 -1.423 -5.560 -1.306 170 HD12 LEU 22 2HD1 LEU 22 -1.247 -3.959 -0.583 171 HD13 LEU 22 3HD1 LEU 22 -2.795 -4.799 -0.496 172 HD21 LEU 22 3HD2 LEU 22 -1.571 -7.620 0.288 173 HD22 LEU 22 1HD2 LEU 22 -3.040 -6.810 0.829 174 HD23 LEU 22 2HD2 LEU 22 -1.811 -7.284 2.002 175 H LEU 23 H LEU 23 3.033 -5.179 2.367 176 HA LEU 23 HA LEU 23 4.673 -6.718 0.769 177 HB2 LEU 23 2HB LEU 23 5.348 -4.550 1.614 178 HB3 LEU 23 1HB LEU 23 5.415 -5.173 3.250 179 HG LEU 23 HG LEU 23 7.248 -6.732 2.470 180 HD11 LEU 23 1HD1 LEU 23 8.439 -6.124 0.429 181 HD12 LEU 23 2HD1 LEU 23 7.213 -4.910 0.065 182 HD13 LEU 23 3HD1 LEU 23 6.784 -6.621 0.075 183 HD21 LEU 23 3HD2 LEU 23 8.972 -5.002 2.570 184 HD22 LEU 23 1HD2 LEU 23 7.708 -4.720 3.767 185 HD23 LEU 23 2HD2 LEU 23 7.749 -3.762 2.284 186 HA PRO 24 HA PRO 24 6.077 -9.318 4.698 187 HB2 PRO 24 2HB PRO 24 4.005 -9.608 6.521 188 HB3 PRO 24 1HB PRO 24 5.410 -8.562 6.729 189 HG2 PRO 24 2HG PRO 24 2.659 -7.882 5.789 190 HG3 PRO 24 1HG PRO 24 3.743 -6.963 6.851 191 HD2 PRO 24 2HD PRO 24 3.411 -6.280 4.292 192 HD3 PRO 24 1HD PRO 24 5.002 -6.161 5.073 193 H VAL 25 H VAL 25 2.952 -9.224 3.212 194 HA VAL 25 HA VAL 25 2.561 -12.101 3.531 195 HB VAL 25 HB VAL 25 0.792 -10.101 2.113 196 HG11 VAL 25 1HG1 VAL 25 0.439 -12.379 1.340 197 HG12 VAL 25 2HG1 VAL 25 -0.931 -11.848 2.315 198 HG13 VAL 25 3HG1 VAL 25 0.272 -12.939 3.001 199 HG21 VAL 25 3HG2 VAL 25 0.612 -11.212 4.909 200 HG22 VAL 25 1HG2 VAL 25 -0.634 -10.247 4.119 201 HG23 VAL 25 2HG2 VAL 25 0.945 -9.541 4.459 202 H LEU 26 H LEU 26 2.751 -9.700 0.903 203 HA LEU 26 HA LEU 26 2.790 -11.605 -1.188 204 HB2 LEU 26 2HB LEU 26 2.938 -8.749 -0.921 205 HB3 LEU 26 1HB LEU 26 4.143 -9.298 -2.070 206 HG LEU 26 HG LEU 26 2.077 -8.700 -3.212 207 HD11 LEU 26 1HD1 LEU 26 1.769 -10.699 -4.511 208 HD12 LEU 26 2HD1 LEU 26 2.441 -11.693 -3.218 209 HD13 LEU 26 3HD1 LEU 26 3.473 -10.556 -4.081 210 HD21 LEU 26 3HD2 LEU 26 0.493 -9.086 -1.421 211 HD22 LEU 26 1HD2 LEU 26 0.808 -10.821 -1.483 212 HD23 LEU 26 2HD2 LEU 26 0.028 -10.019 -2.845 213 H CYS 27 H CYS 27 5.314 -10.182 0.771 214 HA CYS 27 HA CYS 27 7.522 -10.897 -0.822 215 HB2 CYS 27 2HB CYS 27 7.578 -9.311 1.115 216 HB3 CYS 27 1HB CYS 27 7.450 -10.696 2.193 217 HG CYS 27 HG CYS 27 9.895 -11.782 0.875 218 H GLN 28 H GLN 28 5.503 -12.728 1.318 219 HA GLN 28 HA GLN 28 7.364 -14.969 1.349 220 HB2 GLN 28 2HB GLN 28 5.876 -14.127 3.329 221 HB3 GLN 28 1HB GLN 28 4.616 -15.059 2.530 222 HG2 GLN 28 2HG GLN 28 6.398 -16.958 2.566 223 HG3 GLN 28 1HG GLN 28 7.115 -15.987 3.852 224 HE21 GLN 28 1HE2 GLN 28 4.485 -18.020 2.928 225 HE22 GLN 28 2HE2 GLN 28 3.752 -18.133 4.490 226 H ALA 29 H ALA 29 4.140 -14.122 0.194 227 HA ALA 29 HA ALA 29 3.413 -16.604 -0.868 228 HB1 ALA 29 3HB ALA 29 1.734 -15.394 -2.120 229 HB2 ALA 29 1HB ALA 29 2.587 -13.877 -1.847 230 HB3 ALA 29 2HB ALA 29 1.860 -14.739 -0.491 231 H HIS 30 H HIS 30 4.749 -13.789 -2.630 232 HA HIS 30 HA HIS 30 5.731 -15.704 -4.640 233 HB2 HIS 30 2HB HIS 30 4.206 -13.179 -5.008 234 HB3 HIS 30 1HB HIS 30 5.492 -13.512 -6.166 235 HD1 HIS 30 HD1 HIS 30 2.151 -13.676 -6.358 236 HD2 HIS 30 HD2 HIS 30 4.989 -16.702 -6.606 237 HE1 HIS 30 HE1 HIS 30 1.047 -15.533 -7.640 238 HE2 HIS 30 HE2 HIS 30 2.839 -17.285 -7.916 239 H GLY 31 H GLY 31 6.328 -12.760 -2.855 240 HA2 GLY 31 2HA GLY 31 8.323 -11.765 -2.295 241 HA3 GLY 31 1HA GLY 31 9.142 -13.148 -2.998 242 H LEU 32 H LEU 32 6.932 -10.908 -4.622 243 HA LEU 32 HA LEU 32 9.197 -10.075 -6.312 244 HB2 LEU 32 2HB LEU 32 6.643 -11.208 -7.007 245 HB3 LEU 32 1HB LEU 32 6.805 -9.615 -7.717 246 HG LEU 32 HG LEU 32 7.536 -11.280 -9.298 247 HD11 LEU 32 1HD1 LEU 32 9.878 -9.770 -8.142 248 HD12 LEU 32 2HD1 LEU 32 8.725 -9.164 -9.330 249 HD13 LEU 32 3HD1 LEU 32 9.809 -10.488 -9.752 250 HD21 LEU 32 3HD2 LEU 32 9.471 -12.720 -8.833 251 HD22 LEU 32 1HD2 LEU 32 8.100 -13.070 -7.781 252 HD23 LEU 32 2HD2 LEU 32 9.473 -12.152 -7.163 253 H THR 33 H THR 33 7.454 -9.002 -3.901 254 HA THR 33 HA THR 33 6.413 -7.073 -3.236 255 HB THR 33 HB THR 33 8.746 -6.762 -2.692 256 HG1 THR 33 HG1 THR 33 7.012 -4.909 -2.719 257 HG21 THR 33 3HG2 THR 33 10.321 -5.597 -4.064 258 HG22 THR 33 1HG2 THR 33 9.093 -5.276 -5.292 259 HG23 THR 33 2HG2 THR 33 9.652 -6.927 -5.010 260 HA PRO 34 HA PRO 34 4.897 -5.298 -7.183 261 HB2 PRO 34 2HB PRO 34 2.570 -6.604 -7.407 262 HB3 PRO 34 1HB PRO 34 4.095 -7.346 -7.900 263 HG2 PRO 34 2HG PRO 34 2.391 -7.942 -5.573 264 HG3 PRO 34 1HG PRO 34 3.602 -8.957 -6.367 265 HD2 PRO 34 2HD PRO 34 3.878 -7.348 -3.982 266 HD3 PRO 34 1HD PRO 34 5.061 -8.452 -4.711 267 H GLU 35 H GLU 35 4.466 -4.707 -4.151 268 HA GLU 35 HA GLU 35 1.972 -3.173 -4.494 269 HB2 GLU 35 2HB GLU 35 1.535 -3.387 -2.130 270 HB3 GLU 35 1HB GLU 35 1.788 -4.987 -2.805 271 HG2 GLU 35 2HG GLU 35 3.794 -3.400 -1.207 272 HG3 GLU 35 1HG GLU 35 2.836 -4.756 -0.617 273 H GLN 36 H GLN 36 5.216 -3.183 -3.114 274 HA GLN 36 HA GLN 36 5.173 -0.513 -2.170 275 HB2 GLN 36 2HB GLN 36 6.763 -2.329 -1.475 276 HB3 GLN 36 1HB GLN 36 7.571 -2.133 -3.021 277 HG2 GLN 36 2HG GLN 36 7.970 0.260 -2.405 278 HG3 GLN 36 1HG GLN 36 7.370 -0.129 -0.791 279 HE21 GLN 36 1HE2 GLN 36 9.971 -0.491 -3.046 280 HE22 GLN 36 2HE2 GLN 36 11.098 -1.210 -1.949 281 H VAL 37 H VAL 37 6.241 -1.975 -5.197 282 HA VAL 37 HA VAL 37 7.329 0.433 -6.276 283 HB VAL 37 HB VAL 37 6.478 -1.882 -7.978 284 HG11 VAL 37 1HG1 VAL 37 7.450 0.092 -9.059 285 HG12 VAL 37 2HG1 VAL 37 8.488 -1.322 -9.232 286 HG13 VAL 37 3HG1 VAL 37 8.890 -0.070 -8.054 287 HG21 VAL 37 3HG2 VAL 37 7.515 -2.919 -6.059 288 HG22 VAL 37 1HG2 VAL 37 8.885 -1.810 -6.164 289 HG23 VAL 37 2HG2 VAL 37 8.611 -2.993 -7.441 290 H VAL 38 H VAL 38 4.150 -0.306 -5.724 291 HA VAL 38 HA VAL 38 3.353 1.317 -8.041 292 HB VAL 38 HB VAL 38 2.502 -0.917 -8.375 293 HG11 VAL 38 1HG1 VAL 38 2.460 -1.680 -6.052 294 HG12 VAL 38 2HG1 VAL 38 0.924 -1.980 -6.865 295 HG13 VAL 38 3HG1 VAL 38 1.074 -0.636 -5.738 296 HG21 VAL 38 3HG2 VAL 38 0.074 -0.426 -8.527 297 HG22 VAL 38 1HG2 VAL 38 1.100 0.847 -9.190 298 HG23 VAL 38 2HG2 VAL 38 0.353 1.051 -7.604 299 H ALA 39 H ALA 39 2.324 0.459 -4.720 300 HA ALA 39 HA ALA 39 0.559 2.663 -4.496 301 HB1 ALA 39 3HB ALA 39 0.430 2.115 -2.145 302 HB2 ALA 39 1HB ALA 39 1.854 1.082 -2.285 303 HB3 ALA 39 2HB ALA 39 0.363 0.644 -3.119 304 H ILE 40 H ILE 40 3.912 2.176 -3.417 305 HA ILE 40 HA ILE 40 4.091 4.706 -2.126 306 HB ILE 40 HB ILE 40 6.313 2.938 -3.172 307 HG12 ILE 40 2HG1 ILE 40 4.954 1.813 -1.483 308 HG13 ILE 40 1HG1 ILE 40 6.537 2.210 -0.828 309 HG21 ILE 40 1HG2 ILE 40 7.069 5.230 -2.875 310 HG22 ILE 40 2HG2 ILE 40 7.775 4.170 -1.653 311 HG23 ILE 40 3HG2 ILE 40 6.436 5.237 -1.227 312 HD11 ILE 40 3HD1 ILE 40 3.932 3.607 -0.283 313 HD12 ILE 40 1HD1 ILE 40 5.502 4.212 0.242 314 HD13 ILE 40 2HD1 ILE 40 4.909 2.665 0.843 315 H ALA 41 H ALA 41 5.018 3.519 -5.316 316 HA ALA 41 HA ALA 41 6.297 5.820 -6.248 317 HB1 ALA 41 3HB ALA 41 6.449 3.625 -7.332 318 HB2 ALA 41 1HB ALA 41 6.004 4.897 -8.466 319 HB3 ALA 41 2HB ALA 41 4.780 3.782 -7.865 320 H SER 42 H SER 42 2.884 4.837 -6.624 321 HA SER 42 HA SER 42 2.164 7.155 -8.091 322 HB2 SER 42 2HB SER 42 0.448 5.189 -6.564 323 HB3 SER 42 1HB SER 42 -0.167 6.413 -7.674 324 HG SER 42 HG SER 42 0.880 5.400 -9.358 325 H HIS 43 H HIS 43 2.287 6.456 -4.656 326 HA HIS 43 HA HIS 43 0.701 8.763 -3.962 327 HB2 HIS 43 2HB HIS 43 0.779 6.720 -2.534 328 HB3 HIS 43 1HB HIS 43 2.460 7.087 -2.162 329 HD1 HIS 43 HD1 HIS 43 -1.034 8.139 -1.380 330 HD2 HIS 43 HD2 HIS 43 2.849 9.238 -0.371 331 HE1 HIS 43 HE1 HIS 43 -1.256 9.695 0.578 332 HE2 HIS 43 HE2 HIS 43 1.099 10.244 1.251 333 H ASP 44 H ASP 44 4.137 7.893 -3.783 334 HA ASP 44 HA ASP 44 4.959 10.402 -2.710 335 HB2 ASP 44 2HB ASP 44 6.213 8.213 -2.531 336 HB3 ASP 44 1HB ASP 44 6.676 8.424 -4.217 337 H GLY 45 H GLY 45 4.799 9.060 -5.979 338 HA2 GLY 45 2HA GLY 45 5.518 11.736 -7.016 339 HA3 GLY 45 1HA GLY 45 5.917 10.235 -7.841 340 H GLY 46 H GLY 46 2.995 11.670 -6.416 341 HA2 GLY 46 2HA GLY 46 1.651 12.075 -8.839 342 HA3 GLY 46 1HA GLY 46 1.212 10.482 -8.235 343 H LYS 47 H LYS 47 0.428 10.409 -5.958 344 HA LYS 47 HA LYS 47 -1.706 12.263 -5.615 345 HB2 LYS 47 2HB LYS 47 -0.997 9.726 -4.598 346 HB3 LYS 47 1HB LYS 47 -1.152 10.783 -3.204 347 HG2 LYS 47 2HG LYS 47 -3.271 10.550 -5.322 348 HG3 LYS 47 1HG LYS 47 -3.220 9.524 -3.886 349 HD2 LYS 47 2HD LYS 47 -3.293 12.539 -3.804 350 HD3 LYS 47 1HD LYS 47 -4.726 11.518 -3.692 351 HE2 LYS 47 2HE LYS 47 -3.672 10.414 -1.707 352 HE3 LYS 47 1HE LYS 47 -2.396 11.630 -1.785 353 HZ1 LYS 47 3HZ LYS 47 -3.916 12.436 -0.229 354 HZ2 LYS 47 1HZ LYS 47 -5.260 12.011 -1.165 355 HZ3 LYS 47 2HZ LYS 47 -4.276 13.303 -1.638 356 H GLN 48 H GLN 48 1.490 12.645 -5.017 357 HA GLN 48 HA GLN 48 1.576 13.867 -2.485 358 HB2 GLN 48 2HB GLN 48 3.473 13.077 -4.147 359 HB3 GLN 48 1HB GLN 48 3.386 14.746 -4.693 360 HG2 GLN 48 2HG GLN 48 3.702 14.110 -1.789 361 HG3 GLN 48 1HG GLN 48 5.089 14.088 -2.873 362 HE21 GLN 48 1HE2 GLN 48 4.447 15.827 -0.611 363 HE22 GLN 48 2HE2 GLN 48 4.502 17.439 -1.229 364 H ALA 49 H ALA 49 1.003 15.148 -5.729 365 HA ALA 49 HA ALA 49 0.801 17.864 -4.783 366 HB1 ALA 49 3HB ALA 49 0.257 18.412 -7.094 367 HB2 ALA 49 1HB ALA 49 0.127 16.696 -7.478 368 HB3 ALA 49 2HB ALA 49 1.685 17.379 -7.012 369 H LEU 50 H LEU 50 -1.207 15.219 -4.743 370 HA LEU 50 HA LEU 50 -3.625 16.901 -4.683 371 HB2 LEU 50 2HB LEU 50 -3.225 14.063 -5.596 372 HB3 LEU 50 1HB LEU 50 -4.800 14.642 -5.101 373 HG LEU 50 HG LEU 50 -4.861 14.841 -7.413 374 HD11 LEU 50 1HD1 LEU 50 -4.939 17.183 -7.916 375 HD12 LEU 50 2HD1 LEU 50 -3.869 17.552 -6.561 376 HD13 LEU 50 3HD1 LEU 50 -5.496 16.938 -6.259 377 HD21 LEU 50 3HD2 LEU 50 -3.052 15.754 -8.784 378 HD22 LEU 50 1HD2 LEU 50 -2.522 14.348 -7.862 379 HD23 LEU 50 2HD2 LEU 50 -2.066 15.969 -7.340 380 H GLU 51 H GLU 51 -1.726 16.360 -2.548 381 HA GLU 51 HA GLU 51 -3.267 14.637 -0.754 382 HB2 GLU 51 2HB GLU 51 -0.750 14.385 -1.009 383 HB3 GLU 51 1HB GLU 51 -0.600 15.931 -0.188 384 HG2 GLU 51 2HG GLU 51 -0.285 13.984 1.297 385 HG3 GLU 51 1HG GLU 51 -1.597 15.050 1.795 Start of MODEL 9 1 H1 GLU 1 1HT GLU 1 -15.361 -1.886 4.139 2 H2 GLU 1 2HT GLU 1 -15.177 -3.227 5.156 3 H3 GLU 1 3HT GLU 1 -15.044 -3.417 3.485 4 HA GLU 1 HA GLU 1 -13.061 -2.134 3.414 5 HB2 GLU 1 2HB GLU 1 -13.665 -1.730 6.341 6 HB3 GLU 1 1HB GLU 1 -12.041 -1.532 5.700 7 HG2 GLU 1 2HG GLU 1 -12.917 0.619 5.737 8 HG3 GLU 1 1HG GLU 1 -13.067 0.116 4.054 9 H GLN 2 H GLN 2 -11.249 -3.338 3.308 10 HA GLN 2 HA GLN 2 -11.285 -5.911 4.720 11 HB2 GLN 2 2HB GLN 2 -9.445 -6.419 2.941 12 HB3 GLN 2 1HB GLN 2 -11.137 -6.425 2.468 13 HG2 GLN 2 2HG GLN 2 -10.884 -4.127 1.628 14 HG3 GLN 2 1HG GLN 2 -9.172 -4.186 2.043 15 HE21 GLN 2 1HE2 GLN 2 -10.480 -3.820 -0.539 16 HE22 GLN 2 2HE2 GLN 2 -9.876 -5.081 -1.560 17 H VAL 3 H VAL 3 -8.685 -6.668 4.649 18 HA VAL 3 HA VAL 3 -7.555 -5.432 6.856 19 HB VAL 3 HB VAL 3 -5.395 -6.559 6.139 20 HG11 VAL 3 1HG1 VAL 3 -6.272 -8.812 6.546 21 HG12 VAL 3 2HG1 VAL 3 -7.908 -8.214 6.286 22 HG13 VAL 3 3HG1 VAL 3 -6.962 -7.625 7.649 23 HG21 VAL 3 3HG2 VAL 3 -5.716 -6.536 3.736 24 HG22 VAL 3 1HG2 VAL 3 -7.161 -7.535 3.896 25 HG23 VAL 3 2HG2 VAL 3 -5.582 -8.199 4.312 26 H VAL 4 H VAL 4 -7.044 -4.724 3.443 27 HA VAL 4 HA VAL 4 -4.948 -2.802 4.044 28 HB VAL 4 HB VAL 4 -4.970 -2.393 1.565 29 HG11 VAL 4 1HG1 VAL 4 -4.018 -4.634 1.003 30 HG12 VAL 4 2HG1 VAL 4 -4.543 -5.189 2.592 31 HG13 VAL 4 3HG1 VAL 4 -3.354 -3.894 2.459 32 HG21 VAL 4 3HG2 VAL 4 -6.904 -4.712 1.553 33 HG22 VAL 4 1HG2 VAL 4 -6.173 -3.956 0.136 34 HG23 VAL 4 2HG2 VAL 4 -7.298 -3.040 1.141 35 H ALA 5 H ALA 5 -7.933 -2.536 4.766 36 HA ALA 5 HA ALA 5 -8.187 0.213 3.752 37 HB1 ALA 5 3HB ALA 5 -10.595 -0.053 3.572 38 HB2 ALA 5 1HB ALA 5 -10.462 -1.734 4.089 39 HB3 ALA 5 2HB ALA 5 -9.760 -1.226 2.553 40 H ILE 6 H ILE 6 -9.129 -2.092 6.294 41 HA ILE 6 HA ILE 6 -10.249 -0.197 8.041 42 HB ILE 6 HB ILE 6 -9.764 -1.872 9.860 43 HG12 ILE 6 2HG1 ILE 6 -8.738 -3.539 7.548 44 HG13 ILE 6 1HG1 ILE 6 -7.737 -2.867 8.830 45 HG21 ILE 6 1HG2 ILE 6 -11.377 -3.515 8.993 46 HG22 ILE 6 2HG2 ILE 6 -11.179 -2.837 7.379 47 HG23 ILE 6 3HG2 ILE 6 -11.868 -1.854 8.670 48 HD11 ILE 6 3HD1 ILE 6 -8.965 -4.216 10.470 49 HD12 ILE 6 1HD1 ILE 6 -8.179 -5.203 9.236 50 HD13 ILE 6 2HD1 ILE 6 -9.915 -4.915 9.159 51 H ALA 7 H ALA 7 -6.938 -1.491 7.893 52 HA ALA 7 HA ALA 7 -5.983 0.078 10.058 53 HB1 ALA 7 3HB ALA 7 -3.753 -0.585 9.302 54 HB2 ALA 7 1HB ALA 7 -4.438 -1.203 7.800 55 HB3 ALA 7 2HB ALA 7 -4.848 -1.966 9.336 56 H SER 8 H SER 8 -6.090 0.501 6.578 57 HA SER 8 HA SER 8 -4.504 2.790 6.350 58 HB2 SER 8 2HB SER 8 -6.873 2.139 4.605 59 HB3 SER 8 1HB SER 8 -5.379 2.956 4.154 60 HG SER 8 HG SER 8 -5.654 0.602 3.619 61 H ASN 9 H ASN 9 -7.921 2.388 7.096 62 HA ASN 9 HA ASN 9 -8.588 5.148 6.862 63 HB2 ASN 9 2HB ASN 9 -10.205 3.174 6.805 64 HB3 ASN 9 1HB ASN 9 -10.048 3.122 8.558 65 HD21 ASN 9 1HD2 ASN 9 -11.973 3.810 9.243 66 HD22 ASN 9 2HD2 ASN 9 -12.694 5.321 8.820 67 H ILE 10 H ILE 10 -7.401 3.112 9.432 68 HA ILE 10 HA ILE 10 -7.824 5.045 11.514 69 HB ILE 10 HB ILE 10 -6.150 2.527 11.490 70 HG12 ILE 10 2HG1 ILE 10 -8.525 2.064 11.217 71 HG13 ILE 10 1HG1 ILE 10 -8.003 1.589 12.829 72 HG21 ILE 10 1HG2 ILE 10 -6.956 4.266 13.818 73 HG22 ILE 10 2HG2 ILE 10 -5.329 4.098 13.159 74 HG23 ILE 10 3HG2 ILE 10 -6.116 2.719 13.928 75 HD11 ILE 10 3HD1 ILE 10 -9.554 4.061 12.092 76 HD12 ILE 10 1HD1 ILE 10 -8.944 3.697 13.709 77 HD13 ILE 10 2HD1 ILE 10 -10.146 2.647 12.962 78 H GLY 11 H GLY 11 -4.983 3.817 9.753 79 HA2 GLY 11 2HA GLY 11 -3.114 5.520 11.022 80 HA3 GLY 11 1HA GLY 11 -2.878 4.701 9.485 81 H GLY 12 H GLY 12 -4.923 5.844 7.988 82 HA2 GLY 12 2HA GLY 12 -5.699 7.941 7.194 83 HA3 GLY 12 1HA GLY 12 -4.429 8.735 8.111 84 H LYS 13 H LYS 13 -2.936 6.196 6.753 85 HA LYS 13 HA LYS 13 -2.241 7.710 4.319 86 HB2 LYS 13 2HB LYS 13 -0.328 5.803 5.607 87 HB3 LYS 13 1HB LYS 13 0.013 7.210 4.608 88 HG2 LYS 13 2HG LYS 13 -0.672 8.669 6.464 89 HG3 LYS 13 1HG LYS 13 -0.967 7.246 7.458 90 HD2 LYS 13 2HD LYS 13 1.687 8.059 6.280 91 HD3 LYS 13 1HD LYS 13 1.203 8.251 7.962 92 HE2 LYS 13 2HE LYS 13 1.536 5.646 6.480 93 HE3 LYS 13 1HE LYS 13 2.625 6.300 7.701 94 HZ1 LYS 13 3HZ LYS 13 1.298 4.738 8.802 95 HZ2 LYS 13 1HZ LYS 13 -0.133 5.268 8.068 96 HZ3 LYS 13 2HZ LYS 13 0.635 6.227 9.240 97 H GLN 14 H GLN 14 -3.767 6.594 3.089 98 HA GLN 14 HA GLN 14 -4.303 3.904 3.003 99 HB2 GLN 14 2HB GLN 14 -4.583 6.158 1.120 100 HB3 GLN 14 1HB GLN 14 -4.653 4.553 0.404 101 HG2 GLN 14 2HG GLN 14 -6.611 4.020 1.449 102 HG3 GLN 14 1HG GLN 14 -6.299 5.088 2.816 103 HE21 GLN 14 1HE2 GLN 14 -6.949 7.182 2.741 104 HE22 GLN 14 2HE2 GLN 14 -7.934 7.833 1.473 105 H ALA 15 H ALA 15 -2.026 5.556 0.808 106 HA ALA 15 HA ALA 15 -1.162 3.166 -0.421 107 HB1 ALA 15 3HB ALA 15 0.203 5.845 -0.318 108 HB2 ALA 15 1HB ALA 15 -0.976 5.314 -1.518 109 HB3 ALA 15 2HB ALA 15 0.597 4.525 -1.419 110 H LEU 16 H LEU 16 -0.175 4.639 2.556 111 HA LEU 16 HA LEU 16 2.345 3.165 2.549 112 HB2 LEU 16 2HB LEU 16 1.195 5.161 4.488 113 HB3 LEU 16 1HB LEU 16 2.698 4.301 4.769 114 HG LEU 16 HG LEU 16 2.119 6.277 2.559 115 HD11 LEU 16 1HD1 LEU 16 4.035 6.327 4.883 116 HD12 LEU 16 2HD1 LEU 16 2.590 7.315 4.686 117 HD13 LEU 16 3HD1 LEU 16 3.959 7.531 3.598 118 HD21 LEU 16 3HD2 LEU 16 4.476 4.449 2.977 119 HD22 LEU 16 1HD2 LEU 16 4.560 5.915 2.003 120 HD23 LEU 16 2HD2 LEU 16 3.465 4.616 1.543 121 H GLU 17 H GLU 17 -0.817 3.061 4.017 122 HA GLU 17 HA GLU 17 -0.078 1.117 5.988 123 HB2 GLU 17 2HB GLU 17 -2.480 2.597 5.229 124 HB3 GLU 17 1HB GLU 17 -2.824 0.937 5.697 125 HG2 GLU 17 2HG GLU 17 -3.011 2.409 7.602 126 HG3 GLU 17 1HG GLU 17 -1.664 1.295 7.817 127 H THR 18 H THR 18 -1.426 1.058 2.747 128 HA THR 18 HA THR 18 -2.133 -1.688 2.782 129 HB THR 18 HB THR 18 -3.107 -0.067 1.174 130 HG1 THR 18 HG1 THR 18 -1.794 -2.363 0.104 131 HG21 THR 18 3HG2 THR 18 -0.464 -0.289 -0.268 132 HG22 THR 18 1HG2 THR 18 -1.021 1.138 0.610 133 HG23 THR 18 2HG2 THR 18 -1.897 0.582 -0.816 134 H VAL 19 H VAL 19 0.811 0.046 1.879 135 HA VAL 19 HA VAL 19 2.073 -2.173 0.647 136 HB VAL 19 HB VAL 19 2.799 0.147 0.226 137 HG11 VAL 19 1HG1 VAL 19 4.164 1.346 1.824 138 HG12 VAL 19 2HG1 VAL 19 3.976 0.041 2.994 139 HG13 VAL 19 3HG1 VAL 19 2.577 1.001 2.514 140 HG21 VAL 19 3HG2 VAL 19 4.323 -1.662 -0.296 141 HG22 VAL 19 1HG2 VAL 19 4.944 -1.648 1.354 142 HG23 VAL 19 2HG2 VAL 19 5.225 -0.267 0.293 143 H GLN 20 H GLN 20 1.835 -1.081 3.956 144 HA GLN 20 HA GLN 20 3.865 -2.904 4.897 145 HB2 GLN 20 2HB GLN 20 2.312 -0.718 5.996 146 HB3 GLN 20 1HB GLN 20 2.328 -2.098 7.086 147 HG2 GLN 20 2HG GLN 20 4.737 -2.114 7.097 148 HG3 GLN 20 1HG GLN 20 4.779 -0.813 5.908 149 HE21 GLN 20 1HE2 GLN 20 4.149 -1.648 9.223 150 HE22 GLN 20 2HE2 GLN 20 4.144 -0.030 9.833 151 H ARG 21 H ARG 21 0.409 -2.855 4.517 152 HA ARG 21 HA ARG 21 -0.087 -5.153 6.159 153 HB2 ARG 21 2HB ARG 21 -1.760 -3.349 5.728 154 HB3 ARG 21 1HB ARG 21 -1.864 -3.903 4.064 155 HG2 ARG 21 2HG ARG 21 -3.707 -4.845 5.143 156 HG3 ARG 21 1HG ARG 21 -2.537 -6.158 5.005 157 HD2 ARG 21 2HD ARG 21 -2.570 -4.479 7.477 158 HD3 ARG 21 1HD ARG 21 -3.800 -5.723 7.262 159 HE ARG 21 HE ARG 21 -0.923 -6.350 7.129 160 HH11 ARG 21 1HH1 ARG 21 -4.120 -6.941 8.440 161 HH12 ARG 21 2HH1 ARG 21 -3.632 -8.354 9.320 162 HH21 ARG 21 1HH2 ARG 21 -0.281 -8.192 8.272 163 HH22 ARG 21 2HH2 ARG 21 -1.434 -9.054 9.242 164 H LEU 22 H LEU 22 0.188 -4.550 2.675 165 HA LEU 22 HA LEU 22 -0.234 -7.358 2.078 166 HB2 LEU 22 2HB LEU 22 0.141 -4.888 0.431 167 HB3 LEU 22 1HB LEU 22 0.321 -6.467 -0.305 168 HG LEU 22 HG LEU 22 -2.168 -5.508 1.105 169 HD11 LEU 22 1HD1 LEU 22 -1.568 -5.752 -1.838 170 HD12 LEU 22 2HD1 LEU 22 -1.773 -4.249 -0.941 171 HD13 LEU 22 3HD1 LEU 22 -3.133 -5.351 -1.137 172 HD21 LEU 22 3HD2 LEU 22 -1.536 -7.999 -0.462 173 HD22 LEU 22 1HD2 LEU 22 -3.172 -7.490 -0.044 174 HD23 LEU 22 2HD2 LEU 22 -2.020 -7.887 1.230 175 H LEU 23 H LEU 23 2.338 -5.671 3.175 176 HA LEU 23 HA LEU 23 4.445 -6.405 1.504 177 HB2 LEU 23 2HB LEU 23 4.699 -4.755 3.276 178 HB3 LEU 23 1HB LEU 23 4.461 -5.990 4.492 179 HG LEU 23 HG LEU 23 6.563 -7.101 3.453 180 HD11 LEU 23 1HD1 LEU 23 8.129 -5.543 2.438 181 HD12 LEU 23 2HD1 LEU 23 6.911 -4.266 2.487 182 HD13 LEU 23 3HD1 LEU 23 6.665 -5.683 1.467 183 HD21 LEU 23 3HD2 LEU 23 6.735 -4.538 5.036 184 HD22 LEU 23 1HD2 LEU 23 8.020 -5.739 4.888 185 HD23 LEU 23 2HD2 LEU 23 6.507 -6.162 5.688 186 HA PRO 24 HA PRO 24 5.192 -10.376 4.183 187 HB2 PRO 24 2HB PRO 24 3.090 -11.252 5.696 188 HB3 PRO 24 1HB PRO 24 4.398 -10.242 6.329 189 HG2 PRO 24 2HG PRO 24 1.672 -9.435 5.379 190 HG3 PRO 24 1HG PRO 24 2.549 -8.908 6.827 191 HD2 PRO 24 2HD PRO 24 2.449 -7.373 4.638 192 HD3 PRO 24 1HD PRO 24 3.925 -7.472 5.624 193 H VAL 25 H VAL 25 2.146 -9.562 2.765 194 HA VAL 25 HA VAL 25 1.373 -12.231 2.084 195 HB VAL 25 HB VAL 25 0.427 -9.637 0.857 196 HG11 VAL 25 1HG1 VAL 25 -1.580 -10.915 0.267 197 HG12 VAL 25 2HG1 VAL 25 -0.844 -12.373 0.935 198 HG13 VAL 25 3HG1 VAL 25 -0.133 -11.594 -0.480 199 HG21 VAL 25 3HG2 VAL 25 0.100 -9.590 3.263 200 HG22 VAL 25 1HG2 VAL 25 -0.681 -11.169 3.209 201 HG23 VAL 25 2HG2 VAL 25 -1.447 -9.782 2.439 202 H LEU 26 H LEU 26 2.464 -9.470 0.106 203 HA LEU 26 HA LEU 26 2.831 -11.042 -2.224 204 HB2 LEU 26 2HB LEU 26 3.433 -8.255 -1.415 205 HB3 LEU 26 1HB LEU 26 4.306 -8.896 -2.794 206 HG LEU 26 HG LEU 26 2.366 -7.681 -3.558 207 HD11 LEU 26 1HD1 LEU 26 1.412 -9.300 -4.996 208 HD12 LEU 26 2HD1 LEU 26 1.739 -10.606 -3.860 209 HD13 LEU 26 3HD1 LEU 26 3.072 -9.813 -4.697 210 HD21 LEU 26 3HD2 LEU 26 0.986 -7.846 -1.564 211 HD22 LEU 26 1HD2 LEU 26 0.742 -9.567 -1.857 212 HD23 LEU 26 2HD2 LEU 26 0.096 -8.379 -2.988 213 H CYS 27 H CYS 27 4.961 -10.143 0.412 214 HA CYS 27 HA CYS 27 7.361 -10.903 -0.931 215 HB2 CYS 27 2HB CYS 27 6.725 -10.415 1.974 216 HB3 CYS 27 1HB CYS 27 8.332 -10.857 1.411 217 HG CYS 27 HG CYS 27 8.911 -8.577 0.142 218 H GLN 28 H GLN 28 4.908 -12.635 0.767 219 HA GLN 28 HA GLN 28 6.632 -14.965 1.115 220 HB2 GLN 28 2HB GLN 28 5.101 -14.303 2.940 221 HB3 GLN 28 1HB GLN 28 3.734 -14.571 1.874 222 HG2 GLN 28 2HG GLN 28 4.383 -16.948 1.695 223 HG3 GLN 28 1HG GLN 28 5.686 -16.648 2.844 224 HE21 GLN 28 1HE2 GLN 28 5.189 -16.262 4.995 225 HE22 GLN 28 2HE2 GLN 28 3.632 -16.616 5.666 226 H ALA 29 H ALA 29 3.706 -13.980 -0.619 227 HA ALA 29 HA ALA 29 3.199 -16.473 -1.839 228 HB1 ALA 29 3HB ALA 29 1.698 -15.256 -3.300 229 HB2 ALA 29 1HB ALA 29 2.417 -13.727 -2.792 230 HB3 ALA 29 2HB ALA 29 1.523 -14.711 -1.632 231 H HIS 30 H HIS 30 5.100 -13.683 -2.900 232 HA HIS 30 HA HIS 30 6.189 -15.396 -5.029 233 HB2 HIS 30 2HB HIS 30 4.552 -13.196 -5.480 234 HB3 HIS 30 1HB HIS 30 6.176 -12.585 -5.766 235 HD1 HIS 30 HD1 HIS 30 7.629 -14.194 -7.494 236 HD2 HIS 30 HD2 HIS 30 3.480 -14.441 -7.629 237 HE1 HIS 30 HE1 HIS 30 7.083 -15.235 -9.710 238 HE2 HIS 30 HE2 HIS 30 4.569 -15.300 -9.807 239 H GLY 31 H GLY 31 6.671 -12.532 -3.008 240 HA2 GLY 31 2HA GLY 31 8.643 -11.999 -1.862 241 HA3 GLY 31 1HA GLY 31 9.493 -13.206 -2.811 242 H LEU 32 H LEU 32 7.481 -10.646 -4.140 243 HA LEU 32 HA LEU 32 9.917 -9.429 -5.268 244 HB2 LEU 32 2HB LEU 32 7.191 -9.737 -6.524 245 HB3 LEU 32 1HB LEU 32 8.483 -8.767 -7.205 246 HG LEU 32 HG LEU 32 8.691 -11.737 -6.713 247 HD11 LEU 32 1HD1 LEU 32 8.064 -10.235 -9.252 248 HD12 LEU 32 2HD1 LEU 32 6.978 -11.316 -8.375 249 HD13 LEU 32 3HD1 LEU 32 8.429 -11.958 -9.149 250 HD21 LEU 32 3HD2 LEU 32 10.626 -11.547 -8.229 251 HD22 LEU 32 1HD2 LEU 32 10.840 -10.620 -6.745 252 HD23 LEU 32 2HD2 LEU 32 10.419 -9.799 -8.247 253 H THR 33 H THR 33 7.209 -8.946 -3.339 254 HA THR 33 HA THR 33 5.952 -7.148 -2.683 255 HB THR 33 HB THR 33 7.826 -7.211 -1.145 256 HG1 THR 33 HG1 THR 33 6.822 -5.570 -0.330 257 HG21 THR 33 3HG2 THR 33 9.170 -5.164 -2.909 258 HG22 THR 33 1HG2 THR 33 9.671 -6.846 -2.721 259 HG23 THR 33 2HG2 THR 33 9.748 -5.743 -1.347 260 HA PRO 34 HA PRO 34 6.289 -4.602 -6.567 261 HB2 PRO 34 2HB PRO 34 3.679 -4.871 -7.281 262 HB3 PRO 34 1HB PRO 34 4.932 -6.018 -7.761 263 HG2 PRO 34 2HG PRO 34 2.941 -6.212 -5.532 264 HG3 PRO 34 1HG PRO 34 3.458 -7.460 -6.682 265 HD2 PRO 34 2HD PRO 34 4.411 -7.328 -4.154 266 HD3 PRO 34 1HD PRO 34 5.392 -7.913 -5.512 267 H GLU 35 H GLU 35 4.349 -4.611 -3.713 268 HA GLU 35 HA GLU 35 2.903 -2.229 -4.076 269 HB2 GLU 35 2HB GLU 35 3.903 -3.574 -1.563 270 HB3 GLU 35 1HB GLU 35 2.822 -2.186 -1.561 271 HG2 GLU 35 2HG GLU 35 2.199 -4.799 -2.909 272 HG3 GLU 35 1HG GLU 35 1.704 -4.389 -1.267 273 H GLN 36 H GLN 36 6.178 -2.869 -2.984 274 HA GLN 36 HA GLN 36 6.662 -0.130 -2.231 275 HB2 GLN 36 2HB GLN 36 8.549 -2.460 -2.583 276 HB3 GLN 36 1HB GLN 36 9.010 -0.888 -1.946 277 HG2 GLN 36 2HG GLN 36 7.213 -1.275 -0.174 278 HG3 GLN 36 1HG GLN 36 7.225 -2.953 -0.715 279 HE21 GLN 36 1HE2 GLN 36 9.059 -4.207 -0.377 280 HE22 GLN 36 2HE2 GLN 36 10.279 -3.756 0.765 281 H VAL 37 H VAL 37 6.188 -1.495 -5.106 282 HA VAL 37 HA VAL 37 8.237 0.086 -6.497 283 HB VAL 37 HB VAL 37 6.492 -2.120 -7.609 284 HG11 VAL 37 1HG1 VAL 37 7.147 -0.504 -9.306 285 HG12 VAL 37 2HG1 VAL 37 8.001 -2.028 -9.544 286 HG13 VAL 37 3HG1 VAL 37 8.836 -0.654 -8.820 287 HG21 VAL 37 3HG2 VAL 37 8.124 -2.948 -5.970 288 HG22 VAL 37 1HG2 VAL 37 9.419 -2.195 -6.894 289 HG23 VAL 37 2HG2 VAL 37 8.481 -3.506 -7.603 290 H VAL 38 H VAL 38 4.755 -0.757 -6.689 291 HA VAL 38 HA VAL 38 4.374 1.648 -8.308 292 HB VAL 38 HB VAL 38 3.429 -0.338 -9.274 293 HG11 VAL 38 1HG1 VAL 38 3.074 -1.636 -7.237 294 HG12 VAL 38 2HG1 VAL 38 1.624 -1.594 -8.241 295 HG13 VAL 38 3HG1 VAL 38 1.728 -0.585 -6.799 296 HG21 VAL 38 3HG2 VAL 38 1.121 0.401 -9.619 297 HG22 VAL 38 1HG2 VAL 38 2.253 1.752 -9.672 298 HG23 VAL 38 2HG2 VAL 38 1.264 1.487 -8.238 299 H ALA 39 H ALA 39 2.952 0.168 -5.364 300 HA ALA 39 HA ALA 39 1.145 2.244 -4.833 301 HB1 ALA 39 3HB ALA 39 1.018 0.050 -3.753 302 HB2 ALA 39 1HB ALA 39 1.008 1.361 -2.573 303 HB3 ALA 39 2HB ALA 39 2.478 0.422 -2.837 304 H ILE 40 H ILE 40 4.420 1.724 -3.517 305 HA ILE 40 HA ILE 40 4.526 4.067 -1.975 306 HB ILE 40 HB ILE 40 6.741 2.472 -3.271 307 HG12 ILE 40 2HG1 ILE 40 5.438 1.343 -1.498 308 HG13 ILE 40 1HG1 ILE 40 7.106 1.616 -1.015 309 HG21 ILE 40 1HG2 ILE 40 7.528 4.749 -2.965 310 HG22 ILE 40 2HG2 ILE 40 8.308 3.668 -1.813 311 HG23 ILE 40 3HG2 ILE 40 6.999 4.727 -1.283 312 HD11 ILE 40 3HD1 ILE 40 6.278 3.679 0.184 313 HD12 ILE 40 1HD1 ILE 40 5.791 2.125 0.855 314 HD13 ILE 40 2HD1 ILE 40 4.650 3.066 -0.102 315 H ALA 41 H ALA 41 5.412 3.446 -5.344 316 HA ALA 41 HA ALA 41 6.499 5.972 -5.907 317 HB1 ALA 41 3HB ALA 41 5.100 4.132 -7.834 318 HB2 ALA 41 1HB ALA 41 6.782 3.975 -7.333 319 HB3 ALA 41 2HB ALA 41 6.259 5.400 -8.232 320 H SER 42 H SER 42 3.191 4.748 -6.073 321 HA SER 42 HA SER 42 2.056 6.986 -7.343 322 HB2 SER 42 2HB SER 42 0.735 5.074 -5.404 323 HB3 SER 42 1HB SER 42 -0.091 6.119 -6.556 324 HG SER 42 HG SER 42 1.776 4.109 -7.305 325 H HIS 43 H HIS 43 2.685 6.262 -3.940 326 HA HIS 43 HA HIS 43 1.285 8.549 -2.951 327 HB2 HIS 43 2HB HIS 43 1.705 6.568 -1.541 328 HB3 HIS 43 1HB HIS 43 3.432 6.891 -1.607 329 HD1 HIS 43 HD1 HIS 43 0.233 8.302 -0.155 330 HD2 HIS 43 HD2 HIS 43 4.356 8.758 0.194 331 HE1 HIS 43 HE1 HIS 43 0.582 9.825 1.815 332 HE2 HIS 43 HE2 HIS 43 3.080 10.018 2.065 333 H ASP 44 H ASP 44 4.639 7.837 -3.740 334 HA ASP 44 HA ASP 44 5.684 10.320 -2.812 335 HB2 ASP 44 2HB ASP 44 7.153 8.423 -2.988 336 HB3 ASP 44 1HB ASP 44 6.781 8.227 -4.699 337 H GLY 45 H GLY 45 5.234 9.053 -6.111 338 HA2 GLY 45 2HA GLY 45 5.045 11.843 -7.049 339 HA3 GLY 45 1HA GLY 45 5.673 10.515 -8.017 340 H GLY 46 H GLY 46 2.969 12.335 -7.216 341 HA2 GLY 46 2HA GLY 46 1.199 11.951 -9.008 342 HA3 GLY 46 1HA GLY 46 1.136 10.324 -8.341 343 H LYS 47 H LYS 47 0.867 10.317 -5.861 344 HA LYS 47 HA LYS 47 -1.619 11.510 -5.258 345 HB2 LYS 47 2HB LYS 47 -0.380 9.416 -4.237 346 HB3 LYS 47 1HB LYS 47 0.233 10.594 -3.088 347 HG2 LYS 47 2HG LYS 47 -2.702 10.391 -3.615 348 HG3 LYS 47 1HG LYS 47 -1.906 9.255 -2.527 349 HD2 LYS 47 2HD LYS 47 -1.083 11.137 -1.184 350 HD3 LYS 47 1HD LYS 47 -1.894 12.263 -2.274 351 HE2 LYS 47 2HE LYS 47 -4.037 11.005 -1.707 352 HE3 LYS 47 1HE LYS 47 -3.125 10.265 -0.393 353 HZ1 LYS 47 3HZ LYS 47 -3.707 13.153 -0.777 354 HZ2 LYS 47 1HZ LYS 47 -2.622 12.561 0.384 355 HZ3 LYS 47 2HZ LYS 47 -4.258 12.147 0.467 356 H GLN 48 H GLN 48 1.684 12.494 -4.705 357 HA GLN 48 HA GLN 48 1.178 14.484 -2.765 358 HB2 GLN 48 2HB GLN 48 3.424 13.431 -3.465 359 HB3 GLN 48 1HB GLN 48 3.421 14.608 -4.766 360 HG2 GLN 48 2HG GLN 48 2.940 15.707 -2.087 361 HG3 GLN 48 1HG GLN 48 4.534 15.003 -2.343 362 HE21 GLN 48 1HE2 GLN 48 2.347 17.539 -3.222 363 HE22 GLN 48 2HE2 GLN 48 3.494 18.508 -4.079 364 H ALA 49 H ALA 49 1.110 14.484 -6.281 365 HA ALA 49 HA ALA 49 0.800 17.327 -6.510 366 HB1 ALA 49 3HB ALA 49 0.350 15.133 -8.529 367 HB2 ALA 49 1HB ALA 49 1.820 16.080 -8.315 368 HB3 ALA 49 2HB ALA 49 0.344 16.860 -8.883 369 H LEU 50 H LEU 50 -1.286 14.762 -5.748 370 HA LEU 50 HA LEU 50 -3.671 16.210 -6.641 371 HB2 LEU 50 2HB LEU 50 -3.069 13.399 -5.916 372 HB3 LEU 50 1HB LEU 50 -4.662 13.981 -5.482 373 HG LEU 50 HG LEU 50 -4.757 12.848 -7.608 374 HD11 LEU 50 1HD1 LEU 50 -5.855 14.513 -8.914 375 HD12 LEU 50 2HD1 LEU 50 -4.980 15.810 -8.100 376 HD13 LEU 50 3HD1 LEU 50 -6.171 14.858 -7.214 377 HD21 LEU 50 3HD2 LEU 50 -2.463 13.104 -8.318 378 HD22 LEU 50 1HD2 LEU 50 -2.687 14.841 -8.519 379 HD23 LEU 50 2HD2 LEU 50 -3.546 13.712 -9.565 380 H GLU 51 H GLU 51 -2.035 15.087 -3.765 381 HA GLU 51 HA GLU 51 -2.225 15.571 -1.573 382 HB2 GLU 51 2HB GLU 51 -3.561 17.978 -2.775 383 HB3 GLU 51 1HB GLU 51 -3.497 17.766 -1.032 384 HG2 GLU 51 2HG GLU 51 -1.010 17.590 -2.677 385 HG3 GLU 51 1HG GLU 51 -1.667 19.153 -2.200 Start of MODEL 10 1 H1 GLU 1 1HT GLU 1 -15.747 -4.451 2.604 2 H2 GLU 1 2HT GLU 1 -15.068 -5.856 3.254 3 H3 GLU 1 3HT GLU 1 -14.575 -5.306 1.735 4 HA GLU 1 HA GLU 1 -13.509 -3.428 2.627 5 HB2 GLU 1 2HB GLU 1 -14.677 -4.316 5.275 6 HB3 GLU 1 1HB GLU 1 -13.509 -3.014 5.076 7 HG2 GLU 1 2HG GLU 1 -16.357 -3.117 4.145 8 HG3 GLU 1 1HG GLU 1 -15.608 -1.980 5.265 9 H GLN 2 H GLN 2 -11.437 -3.454 3.820 10 HA GLN 2 HA GLN 2 -10.511 -6.067 4.681 11 HB2 GLN 2 2HB GLN 2 -8.502 -5.890 3.144 12 HB3 GLN 2 1HB GLN 2 -10.021 -6.313 2.372 13 HG2 GLN 2 2HG GLN 2 -9.542 -3.448 2.432 14 HG3 GLN 2 1HG GLN 2 -8.290 -4.343 1.574 15 HE21 GLN 2 1HE2 GLN 2 -8.938 -3.426 -0.381 16 HE22 GLN 2 2HE2 GLN 2 -10.375 -3.937 -1.199 17 H VAL 3 H VAL 3 -8.580 -5.964 5.924 18 HA VAL 3 HA VAL 3 -8.290 -3.630 7.452 19 HB VAL 3 HB VAL 3 -6.259 -4.676 8.405 20 HG11 VAL 3 1HG1 VAL 3 -8.463 -5.214 9.288 21 HG12 VAL 3 2HG1 VAL 3 -7.379 -6.600 9.395 22 HG13 VAL 3 3HG1 VAL 3 -8.608 -6.536 8.135 23 HG21 VAL 3 3HG2 VAL 3 -6.779 -6.885 6.425 24 HG22 VAL 3 1HG2 VAL 3 -5.569 -6.895 7.705 25 HG23 VAL 3 2HG2 VAL 3 -5.427 -5.759 6.366 26 H VAL 4 H VAL 4 -6.620 -4.703 4.571 27 HA VAL 4 HA VAL 4 -4.450 -2.871 4.773 28 HB VAL 4 HB VAL 4 -3.959 -3.408 2.444 29 HG11 VAL 4 1HG1 VAL 4 -3.669 -5.848 2.695 30 HG12 VAL 4 2HG1 VAL 4 -4.716 -5.799 4.114 31 HG13 VAL 4 3HG1 VAL 4 -3.174 -4.942 4.124 32 HG21 VAL 4 3HG2 VAL 4 -6.520 -5.000 2.476 33 HG22 VAL 4 1HG2 VAL 4 -5.352 -4.931 1.157 34 HG23 VAL 4 2HG2 VAL 4 -6.264 -3.489 1.604 35 H ALA 5 H ALA 5 -7.666 -2.302 4.269 36 HA ALA 5 HA ALA 5 -7.089 0.156 2.753 37 HB1 ALA 5 3HB ALA 5 -9.415 0.104 1.958 38 HB2 ALA 5 1HB ALA 5 -9.653 -1.434 2.789 39 HB3 ALA 5 2HB ALA 5 -8.510 -1.323 1.450 40 H ILE 6 H ILE 6 -9.059 -1.297 5.324 41 HA ILE 6 HA ILE 6 -10.252 1.071 6.254 42 HB ILE 6 HB ILE 6 -9.547 -1.425 7.810 43 HG12 ILE 6 2HG1 ILE 6 -12.218 -0.626 6.638 44 HG13 ILE 6 1HG1 ILE 6 -11.081 -1.690 5.815 45 HG21 ILE 6 1HG2 ILE 6 -11.466 0.797 8.505 46 HG22 ILE 6 2HG2 ILE 6 -9.922 0.476 9.291 47 HG23 ILE 6 3HG2 ILE 6 -11.235 -0.692 9.417 48 HD11 ILE 6 3HD1 ILE 6 -12.358 -2.208 8.492 49 HD12 ILE 6 1HD1 ILE 6 -11.232 -3.281 7.659 50 HD13 ILE 6 2HD1 ILE 6 -12.818 -2.949 6.960 51 H ALA 7 H ALA 7 -7.328 -0.629 7.375 52 HA ALA 7 HA ALA 7 -6.617 1.166 9.399 53 HB1 ALA 7 3HB ALA 7 -4.366 0.195 9.210 54 HB2 ALA 7 1HB ALA 7 -4.844 -0.587 7.705 55 HB3 ALA 7 2HB ALA 7 -5.625 -1.038 9.220 56 H SER 8 H SER 8 -5.808 1.106 5.975 57 HA SER 8 HA SER 8 -4.036 3.314 6.045 58 HB2 SER 8 2HB SER 8 -5.540 2.499 3.579 59 HB3 SER 8 1HB SER 8 -3.862 3.016 3.748 60 HG SER 8 HG SER 8 -4.631 0.577 3.562 61 H ASN 9 H ASN 9 -7.495 3.009 5.689 62 HA ASN 9 HA ASN 9 -7.988 5.618 4.660 63 HB2 ASN 9 2HB ASN 9 -9.595 3.681 4.550 64 HB3 ASN 9 1HB ASN 9 -9.882 3.895 6.274 65 HD21 ASN 9 1HD2 ASN 9 -11.969 4.525 6.229 66 HD22 ASN 9 2HD2 ASN 9 -12.531 5.965 5.458 67 H ILE 10 H ILE 10 -7.947 4.218 7.899 68 HA ILE 10 HA ILE 10 -8.632 6.714 9.166 69 HB ILE 10 HB ILE 10 -7.990 3.959 10.128 70 HG12 ILE 10 2HG1 ILE 10 -10.101 4.522 11.499 71 HG13 ILE 10 1HG1 ILE 10 -10.246 5.921 10.445 72 HG21 ILE 10 1HG2 ILE 10 -8.028 4.732 12.470 73 HG22 ILE 10 2HG2 ILE 10 -7.957 6.399 11.896 74 HG23 ILE 10 3HG2 ILE 10 -6.615 5.300 11.580 75 HD11 ILE 10 3HD1 ILE 10 -10.343 4.427 8.504 76 HD12 ILE 10 1HD1 ILE 10 -11.637 4.110 9.659 77 HD13 ILE 10 2HD1 ILE 10 -10.239 3.037 9.585 78 H GLY 11 H GLY 11 -5.715 4.816 8.585 79 HA2 GLY 11 2HA GLY 11 -3.985 6.402 10.180 80 HA3 GLY 11 1HA GLY 11 -3.490 5.301 8.903 81 H GLY 12 H GLY 12 -5.238 6.774 6.963 82 HA2 GLY 12 2HA GLY 12 -5.272 8.880 5.873 83 HA3 GLY 12 1HA GLY 12 -3.840 9.343 6.782 84 H LYS 13 H LYS 13 -2.539 6.741 6.183 85 HA LYS 13 HA LYS 13 -1.490 7.531 3.581 86 HB2 LYS 13 2HB LYS 13 -0.443 5.233 5.204 87 HB3 LYS 13 1HB LYS 13 0.417 6.280 4.084 88 HG2 LYS 13 2HG LYS 13 0.327 8.108 5.668 89 HG3 LYS 13 1HG LYS 13 -0.626 7.125 6.779 90 HD2 LYS 13 2HD LYS 13 1.401 5.474 6.554 91 HD3 LYS 13 1HD LYS 13 2.264 6.934 6.075 92 HE2 LYS 13 2HE LYS 13 2.513 6.560 8.457 93 HE3 LYS 13 1HE LYS 13 1.561 8.017 8.167 94 HZ1 LYS 13 3HZ LYS 13 0.652 6.575 9.927 95 HZ2 LYS 13 1HZ LYS 13 0.402 5.348 8.785 96 HZ3 LYS 13 2HZ LYS 13 -0.433 6.815 8.659 97 H GLN 14 H GLN 14 -3.203 6.854 2.243 98 HA GLN 14 HA GLN 14 -4.209 4.185 2.297 99 HB2 GLN 14 2HB GLN 14 -5.389 4.782 0.242 100 HB3 GLN 14 1HB GLN 14 -5.572 6.022 1.472 101 HG2 GLN 14 2HG GLN 14 -3.797 7.331 0.357 102 HG3 GLN 14 1HG GLN 14 -3.749 6.113 -0.917 103 HE21 GLN 14 1HE2 GLN 14 -6.650 7.205 0.712 104 HE22 GLN 14 2HE2 GLN 14 -7.354 7.993 -0.654 105 H ALA 15 H ALA 15 -1.235 4.810 1.770 106 HA ALA 15 HA ALA 15 -0.936 2.783 -0.322 107 HB1 ALA 15 3HB ALA 15 0.681 5.331 -0.244 108 HB2 ALA 15 1HB ALA 15 -0.615 4.980 -1.387 109 HB3 ALA 15 2HB ALA 15 0.856 4.007 -1.397 110 H LEU 16 H LEU 16 0.744 4.735 2.141 111 HA LEU 16 HA LEU 16 2.849 2.829 2.440 112 HB2 LEU 16 2HB LEU 16 2.046 5.275 3.975 113 HB3 LEU 16 1HB LEU 16 3.342 4.235 4.531 114 HG LEU 16 HG LEU 16 3.353 5.439 1.778 115 HD11 LEU 16 1HD1 LEU 16 4.474 6.609 4.322 116 HD12 LEU 16 2HD1 LEU 16 3.184 7.288 3.328 117 HD13 LEU 16 3HD1 LEU 16 4.828 7.190 2.693 118 HD21 LEU 16 3HD2 LEU 16 5.750 5.046 1.948 119 HD22 LEU 16 1HD2 LEU 16 4.848 3.549 2.187 120 HD23 LEU 16 2HD2 LEU 16 5.539 4.394 3.574 121 H GLU 17 H GLU 17 -0.237 3.331 4.036 122 HA GLU 17 HA GLU 17 0.379 1.657 6.280 123 HB2 GLU 17 2HB GLU 17 -1.708 3.397 5.564 124 HB3 GLU 17 1HB GLU 17 -2.446 1.808 5.700 125 HG2 GLU 17 2HG GLU 17 -2.677 2.557 7.832 126 HG3 GLU 17 1HG GLU 17 -1.125 1.727 7.959 127 H THR 18 H THR 18 -1.075 1.185 3.122 128 HA THR 18 HA THR 18 -1.955 -1.476 3.697 129 HB THR 18 HB THR 18 -3.041 0.063 2.015 130 HG1 THR 18 HG1 THR 18 -3.888 -1.769 1.473 131 HG21 THR 18 3HG2 THR 18 -0.755 -0.828 0.260 132 HG22 THR 18 1HG2 THR 18 -1.038 0.816 0.833 133 HG23 THR 18 2HG2 THR 18 -2.187 0.055 -0.268 134 H VAL 19 H VAL 19 0.865 -0.056 2.082 135 HA VAL 19 HA VAL 19 1.879 -2.481 1.049 136 HB VAL 19 HB VAL 19 2.623 -0.210 0.316 137 HG11 VAL 19 1HG1 VAL 19 4.347 0.963 1.555 138 HG12 VAL 19 2HG1 VAL 19 4.272 -0.243 2.838 139 HG13 VAL 19 3HG1 VAL 19 2.886 0.802 2.531 140 HG21 VAL 19 3HG2 VAL 19 3.879 -2.174 -0.336 141 HG22 VAL 19 1HG2 VAL 19 4.799 -2.115 1.166 142 HG23 VAL 19 2HG2 VAL 19 4.977 -0.830 -0.030 143 H GLN 20 H GLN 20 2.013 -1.026 4.194 144 HA GLN 20 HA GLN 20 4.194 -2.481 5.242 145 HB2 GLN 20 2HB GLN 20 3.273 -0.432 6.263 146 HB3 GLN 20 1HB GLN 20 1.807 -1.306 6.679 147 HG2 GLN 20 2HG GLN 20 3.152 -1.140 8.631 148 HG3 GLN 20 1HG GLN 20 3.180 -2.817 8.094 149 HE21 GLN 20 1HE2 GLN 20 5.051 -1.218 9.744 150 HE22 GLN 20 2HE2 GLN 20 6.593 -1.392 8.980 151 H ARG 21 H ARG 21 0.836 -3.279 4.751 152 HA ARG 21 HA ARG 21 1.111 -5.697 6.371 153 HB2 ARG 21 2HB ARG 21 -0.910 -4.407 6.733 154 HB3 ARG 21 1HB ARG 21 -1.294 -4.470 5.021 155 HG2 ARG 21 2HG ARG 21 -2.667 -6.117 5.781 156 HG3 ARG 21 1HG ARG 21 -1.224 -7.072 5.444 157 HD2 ARG 21 2HD ARG 21 -2.184 -6.054 8.111 158 HD3 ARG 21 1HD ARG 21 -2.041 -7.729 7.585 159 HE ARG 21 HE ARG 21 0.130 -5.951 8.398 160 HH11 ARG 21 1HH1 ARG 21 -0.878 -9.109 7.255 161 HH12 ARG 21 2HH1 ARG 21 0.607 -9.881 7.712 162 HH21 ARG 21 1HH2 ARG 21 2.079 -6.968 8.986 163 HH22 ARG 21 2HH2 ARG 21 2.286 -8.667 8.692 164 H LEU 22 H LEU 22 0.697 -4.654 3.044 165 HA LEU 22 HA LEU 22 0.211 -7.274 2.020 166 HB2 LEU 22 2HB LEU 22 1.022 -4.697 0.694 167 HB3 LEU 22 1HB LEU 22 0.710 -6.176 -0.193 168 HG LEU 22 HG LEU 22 -1.327 -4.769 1.544 169 HD11 LEU 22 1HD1 LEU 22 -1.059 -4.802 -1.457 170 HD12 LEU 22 2HD1 LEU 22 -0.697 -3.430 -0.412 171 HD13 LEU 22 3HD1 LEU 22 -2.349 -4.038 -0.530 172 HD21 LEU 22 3HD2 LEU 22 -1.547 -7.086 -0.375 173 HD22 LEU 22 1HD2 LEU 22 -2.915 -6.252 0.362 174 HD23 LEU 22 2HD2 LEU 22 -1.771 -7.133 1.375 175 H LEU 23 H LEU 23 3.078 -5.364 2.617 176 HA LEU 23 HA LEU 23 4.932 -6.578 0.982 177 HB2 LEU 23 2HB LEU 23 5.472 -4.623 2.264 178 HB3 LEU 23 1HB LEU 23 5.276 -5.494 3.771 179 HG LEU 23 HG LEU 23 7.230 -6.956 2.978 180 HD11 LEU 23 1HD1 LEU 23 8.764 -5.893 1.409 181 HD12 LEU 23 2HD1 LEU 23 7.599 -4.598 1.136 182 HD13 LEU 23 3HD1 LEU 23 7.216 -6.247 0.643 183 HD21 LEU 23 3HD2 LEU 23 7.707 -4.048 3.612 184 HD22 LEU 23 1HD2 LEU 23 8.864 -5.363 3.828 185 HD23 LEU 23 2HD2 LEU 23 7.384 -5.323 4.787 186 HA PRO 24 HA PRO 24 5.974 -9.963 4.259 187 HB2 PRO 24 2HB PRO 24 4.188 -10.439 6.252 188 HB3 PRO 24 1HB PRO 24 5.544 -9.318 6.414 189 HG2 PRO 24 2HG PRO 24 2.674 -8.740 5.792 190 HG3 PRO 24 1HG PRO 24 3.769 -7.901 6.912 191 HD2 PRO 24 2HD PRO 24 3.226 -6.932 4.455 192 HD3 PRO 24 1HD PRO 24 4.821 -6.742 5.212 193 H VAL 25 H VAL 25 3.002 -9.401 2.765 194 HA VAL 25 HA VAL 25 2.192 -12.214 2.897 195 HB VAL 25 HB VAL 25 0.758 -9.825 1.718 196 HG11 VAL 25 1HG1 VAL 25 0.200 -11.894 0.529 197 HG12 VAL 25 2HG1 VAL 25 -1.166 -11.294 1.470 198 HG13 VAL 25 3HG1 VAL 25 -0.219 -12.659 2.062 199 HG21 VAL 25 3HG2 VAL 25 0.227 -11.408 4.230 200 HG22 VAL 25 1HG2 VAL 25 -0.772 -10.093 3.609 201 HG23 VAL 25 2HG2 VAL 25 0.876 -9.770 4.150 202 H LEU 26 H LEU 26 2.704 -9.672 0.445 203 HA LEU 26 HA LEU 26 2.635 -11.490 -1.737 204 HB2 LEU 26 2HB LEU 26 3.110 -8.631 -1.346 205 HB3 LEU 26 1HB LEU 26 4.025 -9.320 -2.674 206 HG LEU 26 HG LEU 26 1.888 -8.355 -3.412 207 HD11 LEU 26 1HD1 LEU 26 1.120 -10.263 -4.722 208 HD12 LEU 26 2HD1 LEU 26 2.015 -11.353 -3.665 209 HD13 LEU 26 3HD1 LEU 26 2.882 -10.190 -4.666 210 HD21 LEU 26 3HD2 LEU 26 0.545 -8.716 -1.441 211 HD22 LEU 26 1HD2 LEU 26 0.674 -10.464 -1.635 212 HD23 LEU 26 2HD2 LEU 26 -0.216 -9.511 -2.821 213 H CYS 27 H CYS 27 5.210 -10.322 0.338 214 HA CYS 27 HA CYS 27 7.309 -11.270 -1.355 215 HB2 CYS 27 2HB CYS 27 7.227 -10.385 1.518 216 HB3 CYS 27 1HB CYS 27 8.691 -11.042 0.794 217 HG CYS 27 HG CYS 27 7.543 -7.993 0.672 218 H GLN 28 H GLN 28 5.318 -12.644 1.125 219 HA GLN 28 HA GLN 28 6.953 -14.969 1.532 220 HB2 GLN 28 2HB GLN 28 5.334 -14.022 3.231 221 HB3 GLN 28 1HB GLN 28 4.027 -14.624 2.219 222 HG2 GLN 28 2HG GLN 28 4.446 -16.166 4.014 223 HG3 GLN 28 1HG GLN 28 4.902 -16.905 2.479 224 HE21 GLN 28 1HE2 GLN 28 6.321 -18.347 3.382 225 HE22 GLN 28 2HE2 GLN 28 7.822 -17.879 4.106 226 H ALA 29 H ALA 29 4.056 -14.163 -0.313 227 HA ALA 29 HA ALA 29 3.692 -16.808 -1.334 228 HB1 ALA 29 3HB ALA 29 1.835 -15.224 -1.057 229 HB2 ALA 29 1HB ALA 29 1.953 -15.839 -2.705 230 HB3 ALA 29 2HB ALA 29 2.523 -14.213 -2.326 231 H HIS 30 H HIS 30 4.927 -13.773 -2.741 232 HA HIS 30 HA HIS 30 6.006 -15.368 -4.971 233 HB2 HIS 30 2HB HIS 30 5.080 -12.511 -4.825 234 HB3 HIS 30 1HB HIS 30 6.195 -13.028 -6.081 235 HD1 HIS 30 HD1 HIS 30 4.663 -12.860 -8.077 236 HD2 HIS 30 HD2 HIS 30 3.038 -15.114 -4.984 237 HE1 HIS 30 HE1 HIS 30 2.574 -13.894 -9.016 238 HE2 HIS 30 HE2 HIS 30 1.504 -15.067 -7.063 239 H GLY 31 H GLY 31 6.784 -12.313 -3.285 240 HA2 GLY 31 2HA GLY 31 8.858 -12.115 -2.041 241 HA3 GLY 31 1HA GLY 31 9.584 -13.233 -3.180 242 H LEU 32 H LEU 32 7.574 -10.963 -4.703 243 HA LEU 32 HA LEU 32 9.947 -9.389 -5.461 244 HB2 LEU 32 2HB LEU 32 7.443 -9.875 -7.072 245 HB3 LEU 32 1HB LEU 32 8.848 -8.972 -7.597 246 HG LEU 32 HG LEU 32 8.942 -11.903 -6.899 247 HD11 LEU 32 1HD1 LEU 32 8.620 -10.591 -9.593 248 HD12 LEU 32 2HD1 LEU 32 7.438 -11.607 -8.768 249 HD13 LEU 32 3HD1 LEU 32 8.961 -12.300 -9.323 250 HD21 LEU 32 3HD2 LEU 32 11.050 -11.825 -8.164 251 HD22 LEU 32 1HD2 LEU 32 11.082 -10.759 -6.761 252 HD23 LEU 32 2HD2 LEU 32 10.850 -10.085 -8.374 253 H THR 33 H THR 33 7.143 -9.237 -3.744 254 HA THR 33 HA THR 33 5.604 -7.644 -3.183 255 HB THR 33 HB THR 33 7.334 -7.387 -1.542 256 HG1 THR 33 HG1 THR 33 5.556 -5.858 -1.595 257 HG21 THR 33 3HG2 THR 33 9.261 -6.932 -2.948 258 HG22 THR 33 1HG2 THR 33 9.090 -5.678 -1.720 259 HG23 THR 33 2HG2 THR 33 8.597 -5.358 -3.385 260 HA PRO 34 HA PRO 34 5.421 -5.121 -7.003 261 HB2 PRO 34 2HB PRO 34 2.722 -5.354 -7.281 262 HB3 PRO 34 1HB PRO 34 3.866 -6.542 -7.915 263 HG2 PRO 34 2HG PRO 34 2.229 -6.621 -5.416 264 HG3 PRO 34 1HG PRO 34 2.584 -7.923 -6.566 265 HD2 PRO 34 2HD PRO 34 3.874 -7.660 -4.192 266 HD3 PRO 34 1HD PRO 34 4.641 -8.359 -5.629 267 H GLU 35 H GLU 35 3.535 -5.049 -4.039 268 HA GLU 35 HA GLU 35 2.402 -2.482 -4.393 269 HB2 GLU 35 2HB GLU 35 2.038 -2.543 -1.923 270 HB3 GLU 35 1HB GLU 35 1.410 -3.941 -2.784 271 HG2 GLU 35 2HG GLU 35 4.107 -3.996 -1.477 272 HG3 GLU 35 1HG GLU 35 2.632 -4.322 -0.569 273 H GLN 36 H GLN 36 5.530 -3.546 -3.265 274 HA GLN 36 HA GLN 36 6.268 -1.100 -2.009 275 HB2 GLN 36 2HB GLN 36 7.366 -3.382 -1.703 276 HB3 GLN 36 1HB GLN 36 8.168 -3.092 -3.241 277 HG2 GLN 36 2HG GLN 36 8.774 -0.811 -1.956 278 HG3 GLN 36 1HG GLN 36 8.663 -1.920 -0.591 279 HE21 GLN 36 1HE2 GLN 36 10.333 -1.168 -3.547 280 HE22 GLN 36 2HE2 GLN 36 11.705 -2.180 -3.262 281 H VAL 37 H VAL 37 5.677 -1.840 -5.186 282 HA VAL 37 HA VAL 37 7.508 0.244 -6.163 283 HB VAL 37 HB VAL 37 6.106 -1.897 -7.774 284 HG11 VAL 37 1HG1 VAL 37 6.537 0.121 -9.060 285 HG12 VAL 37 2HG1 VAL 37 7.598 -1.185 -9.585 286 HG13 VAL 37 3HG1 VAL 37 8.226 0.099 -8.554 287 HG21 VAL 37 3HG2 VAL 37 7.784 -2.893 -6.333 288 HG22 VAL 37 1HG2 VAL 37 8.980 -1.714 -6.872 289 HG23 VAL 37 2HG2 VAL 37 8.341 -2.904 -8.007 290 H VAL 38 H VAL 38 4.287 -1.093 -6.940 291 HA VAL 38 HA VAL 38 3.439 1.255 -8.273 292 HB VAL 38 HB VAL 38 2.492 -0.911 -8.824 293 HG11 VAL 38 1HG1 VAL 38 2.441 -1.953 -6.644 294 HG12 VAL 38 2HG1 VAL 38 0.832 -1.984 -7.365 295 HG13 VAL 38 3HG1 VAL 38 1.209 -0.815 -6.102 296 HG21 VAL 38 3HG2 VAL 38 0.104 -0.263 -8.880 297 HG22 VAL 38 1HG2 VAL 38 1.190 1.025 -9.400 298 HG23 VAL 38 2HG2 VAL 38 0.477 1.069 -7.786 299 H ALA 39 H ALA 39 2.706 0.064 -4.977 300 HA ALA 39 HA ALA 39 0.889 2.164 -4.395 301 HB1 ALA 39 3HB ALA 39 0.893 0.050 -3.155 302 HB2 ALA 39 1HB ALA 39 1.047 1.437 -2.080 303 HB3 ALA 39 2HB ALA 39 2.462 0.461 -2.468 304 H ILE 40 H ILE 40 4.333 1.710 -3.762 305 HA ILE 40 HA ILE 40 4.700 4.074 -2.268 306 HB ILE 40 HB ILE 40 6.703 2.540 -3.936 307 HG12 ILE 40 2HG1 ILE 40 5.733 1.160 -2.189 308 HG13 ILE 40 1HG1 ILE 40 7.385 1.579 -1.751 309 HG21 ILE 40 1HG2 ILE 40 8.422 3.654 -2.599 310 HG22 ILE 40 2HG2 ILE 40 7.177 4.598 -1.779 311 HG23 ILE 40 3HG2 ILE 40 7.460 4.824 -3.505 312 HD11 ILE 40 3HD1 ILE 40 4.851 2.760 -0.638 313 HD12 ILE 40 1HD1 ILE 40 6.472 3.367 -0.288 314 HD13 ILE 40 2HD1 ILE 40 6.020 1.730 0.192 315 H ALA 41 H ALA 41 5.145 3.368 -5.726 316 HA ALA 41 HA ALA 41 6.050 5.920 -6.473 317 HB1 ALA 41 3HB ALA 41 6.289 3.940 -7.891 318 HB2 ALA 41 1HB ALA 41 5.518 5.275 -8.749 319 HB3 ALA 41 2HB ALA 41 4.546 3.926 -8.156 320 H SER 42 H SER 42 2.779 4.611 -6.151 321 HA SER 42 HA SER 42 1.429 6.746 -7.396 322 HB2 SER 42 2HB SER 42 0.491 4.845 -5.234 323 HB3 SER 42 1HB SER 42 -0.564 5.932 -6.142 324 HG SER 42 HG SER 42 0.962 3.743 -7.107 325 H HIS 43 H HIS 43 2.493 6.245 -4.058 326 HA HIS 43 HA HIS 43 1.260 8.663 -3.122 327 HB2 HIS 43 2HB HIS 43 1.544 7.049 -1.430 328 HB3 HIS 43 1HB HIS 43 3.203 6.713 -1.906 329 HD1 HIS 43 HD1 HIS 43 1.198 9.561 -0.314 330 HD2 HIS 43 HD2 HIS 43 5.052 7.973 -0.401 331 HE1 HIS 43 HE1 HIS 43 2.522 10.871 1.371 332 HE2 HIS 43 HE2 HIS 43 4.808 9.811 1.396 333 H ASP 44 H ASP 44 4.540 7.649 -3.953 334 HA ASP 44 HA ASP 44 5.914 9.993 -3.364 335 HB2 ASP 44 2HB ASP 44 7.138 8.009 -3.858 336 HB3 ASP 44 1HB ASP 44 6.394 7.865 -5.447 337 H GLY 45 H GLY 45 4.422 9.013 -6.434 338 HA2 GLY 45 2HA GLY 45 4.463 11.854 -7.230 339 HA3 GLY 45 1HA GLY 45 4.841 10.566 -8.366 340 H GLY 46 H GLY 46 2.377 12.385 -6.858 341 HA2 GLY 46 2HA GLY 46 0.366 12.313 -8.446 342 HA3 GLY 46 1HA GLY 46 0.313 10.620 -7.982 343 H LYS 47 H LYS 47 -0.023 10.128 -5.695 344 HA LYS 47 HA LYS 47 -2.210 11.575 -4.662 345 HB2 LYS 47 2HB LYS 47 -0.460 9.420 -3.503 346 HB3 LYS 47 1HB LYS 47 -1.800 10.115 -2.604 347 HG2 LYS 47 2HG LYS 47 -2.079 8.815 -5.304 348 HG3 LYS 47 1HG LYS 47 -2.322 7.979 -3.770 349 HD2 LYS 47 2HD LYS 47 -4.116 9.530 -3.197 350 HD3 LYS 47 1HD LYS 47 -3.857 10.402 -4.710 351 HE2 LYS 47 2HE LYS 47 -4.574 8.532 -5.999 352 HE3 LYS 47 1HE LYS 47 -4.576 7.479 -4.584 353 HZ1 LYS 47 3HZ LYS 47 -6.381 9.796 -5.016 354 HZ2 LYS 47 1HZ LYS 47 -6.388 8.781 -3.663 355 HZ3 LYS 47 2HZ LYS 47 -6.812 8.173 -5.182 356 H GLN 48 H GLN 48 1.226 11.750 -3.989 357 HA GLN 48 HA GLN 48 1.101 13.169 -1.566 358 HB2 GLN 48 2HB GLN 48 3.141 12.095 -2.716 359 HB3 GLN 48 1HB GLN 48 3.253 13.593 -3.624 360 HG2 GLN 48 2HG GLN 48 3.625 14.860 -1.636 361 HG3 GLN 48 1HG GLN 48 3.296 13.453 -0.622 362 HE21 GLN 48 1HE2 GLN 48 5.692 15.185 -0.886 363 HE22 GLN 48 2HE2 GLN 48 6.998 14.112 -1.240 364 H ALA 49 H ALA 49 0.397 14.134 -4.781 365 HA ALA 49 HA ALA 49 0.848 16.948 -4.356 366 HB1 ALA 49 3HB ALA 49 1.093 15.964 -6.572 367 HB2 ALA 49 1HB ALA 49 -0.145 17.220 -6.566 368 HB3 ALA 49 2HB ALA 49 -0.614 15.520 -6.571 369 H LEU 50 H LEU 50 -1.548 14.767 -3.486 370 HA LEU 50 HA LEU 50 -3.584 16.888 -3.304 371 HB2 LEU 50 2HB LEU 50 -3.839 13.897 -3.499 372 HB3 LEU 50 1HB LEU 50 -5.153 14.895 -2.913 373 HG LEU 50 HG LEU 50 -5.679 14.550 -5.154 374 HD11 LEU 50 1HD1 LEU 50 -5.534 16.682 -6.223 375 HD12 LEU 50 2HD1 LEU 50 -4.142 17.137 -5.245 376 HD13 LEU 50 3HD1 LEU 50 -5.724 16.945 -4.491 377 HD21 LEU 50 3HD2 LEU 50 -4.088 14.767 -7.004 378 HD22 LEU 50 1HD2 LEU 50 -3.601 13.521 -5.858 379 HD23 LEU 50 2HD2 LEU 50 -2.796 15.090 -5.846 380 H GLU 51 H GLU 51 -1.874 14.361 -1.561 381 HA GLU 51 HA GLU 51 -3.238 14.440 0.869 382 HB2 GLU 51 2HB GLU 51 -0.327 13.853 0.311 383 HB3 GLU 51 1HB GLU 51 -1.113 13.559 1.857 384 HG2 GLU 51 2HG GLU 51 -2.718 12.063 0.633 385 HG3 GLU 51 1HG GLU 51 -1.678 12.229 -0.780 Start of MODEL 11 1 H1 GLU 1 1HT GLU 1 -14.055 -1.551 -0.467 2 H2 GLU 1 2HT GLU 1 -12.505 -1.852 -1.079 3 H3 GLU 1 3HT GLU 1 -13.122 -0.280 -1.087 4 HA GLU 1 HA GLU 1 -11.652 -0.293 0.676 5 HB2 GLU 1 2HB GLU 1 -13.851 -0.976 2.457 6 HB3 GLU 1 1HB GLU 1 -13.038 0.563 2.225 7 HG2 GLU 1 2HG GLU 1 -15.203 1.060 1.632 8 HG3 GLU 1 1HG GLU 1 -14.470 0.709 0.066 9 H GLN 2 H GLN 2 -10.259 -2.037 0.547 10 HA GLN 2 HA GLN 2 -10.930 -4.636 1.482 11 HB2 GLN 2 2HB GLN 2 -8.417 -4.967 1.458 12 HB3 GLN 2 1HB GLN 2 -9.147 -4.507 -0.073 13 HG2 GLN 2 2HG GLN 2 -8.338 -2.297 0.098 14 HG3 GLN 2 1HG GLN 2 -7.891 -2.514 1.787 15 HE21 GLN 2 1HE2 GLN 2 -6.296 -1.678 -0.531 16 HE22 GLN 2 2HE2 GLN 2 -4.969 -2.782 -0.609 17 H VAL 3 H VAL 3 -9.805 -5.691 3.316 18 HA VAL 3 HA VAL 3 -10.414 -4.432 5.725 19 HB VAL 3 HB VAL 3 -8.903 -6.249 6.755 20 HG11 VAL 3 1HG1 VAL 3 -11.318 -6.421 6.673 21 HG12 VAL 3 2HG1 VAL 3 -10.587 -7.983 6.311 22 HG13 VAL 3 3HG1 VAL 3 -11.243 -6.997 5.006 23 HG21 VAL 3 3HG2 VAL 3 -8.283 -8.090 5.330 24 HG22 VAL 3 1HG2 VAL 3 -7.549 -6.613 4.705 25 HG23 VAL 3 2HG2 VAL 3 -8.978 -7.287 3.922 26 H VAL 4 H VAL 4 -7.334 -4.631 4.003 27 HA VAL 4 HA VAL 4 -5.763 -3.531 6.097 28 HB VAL 4 HB VAL 4 -5.075 -3.256 3.178 29 HG11 VAL 4 1HG1 VAL 4 -3.639 -2.162 4.853 30 HG12 VAL 4 2HG1 VAL 4 -2.800 -3.441 3.975 31 HG13 VAL 4 3HG1 VAL 4 -3.368 -3.727 5.619 32 HG21 VAL 4 3HG2 VAL 4 -4.088 -5.479 3.240 33 HG22 VAL 4 1HG2 VAL 4 -5.824 -5.557 3.542 34 HG23 VAL 4 2HG2 VAL 4 -4.688 -5.713 4.883 35 H ALA 5 H ALA 5 -7.595 -2.140 3.452 36 HA ALA 5 HA ALA 5 -6.557 0.478 3.575 37 HB1 ALA 5 3HB ALA 5 -8.583 1.129 2.338 38 HB2 ALA 5 1HB ALA 5 -9.256 -0.475 2.626 39 HB3 ALA 5 2HB ALA 5 -7.803 -0.292 1.645 40 H ILE 6 H ILE 6 -9.163 -1.133 5.303 41 HA ILE 6 HA ILE 6 -10.324 1.136 6.486 42 HB ILE 6 HB ILE 6 -10.153 -1.656 7.649 43 HG12 ILE 6 2HG1 ILE 6 -12.341 -0.439 5.945 44 HG13 ILE 6 1HG1 ILE 6 -11.101 -1.519 5.322 45 HG21 ILE 6 1HG2 ILE 6 -12.092 0.596 8.187 46 HG22 ILE 6 2HG2 ILE 6 -10.839 0.021 9.286 47 HG23 ILE 6 3HG2 ILE 6 -12.190 -1.030 8.862 48 HD11 ILE 6 3HD1 ILE 6 -13.137 -2.206 7.425 49 HD12 ILE 6 1HD1 ILE 6 -11.904 -3.292 6.784 50 HD13 ILE 6 2HD1 ILE 6 -13.188 -2.692 5.731 51 H ALA 7 H ALA 7 -7.721 -1.006 7.589 52 HA ALA 7 HA ALA 7 -7.283 0.368 10.045 53 HB1 ALA 7 3HB ALA 7 -5.491 -1.508 8.505 54 HB2 ALA 7 1HB ALA 7 -6.622 -1.952 9.784 55 HB3 ALA 7 2HB ALA 7 -5.211 -0.960 10.158 56 H SER 8 H SER 8 -5.906 0.556 6.812 57 HA SER 8 HA SER 8 -3.785 2.318 7.455 58 HB2 SER 8 2HB SER 8 -5.162 1.922 4.790 59 HB3 SER 8 1HB SER 8 -3.572 2.637 5.049 60 HG SER 8 HG SER 8 -4.378 -0.042 5.496 61 H ASN 9 H ASN 9 -7.159 2.803 6.676 62 HA ASN 9 HA ASN 9 -7.033 5.570 6.099 63 HB2 ASN 9 2HB ASN 9 -8.996 4.041 5.643 64 HB3 ASN 9 1HB ASN 9 -9.363 4.115 7.364 65 HD21 ASN 9 1HD2 ASN 9 -11.294 5.145 7.184 66 HD22 ASN 9 2HD2 ASN 9 -11.464 6.771 6.618 67 H ILE 10 H ILE 10 -7.412 3.733 9.068 68 HA ILE 10 HA ILE 10 -7.870 5.932 10.800 69 HB ILE 10 HB ILE 10 -6.710 3.206 11.421 70 HG12 ILE 10 2HG1 ILE 10 -8.960 3.107 10.419 71 HG13 ILE 10 1HG1 ILE 10 -8.979 2.602 12.102 72 HG21 ILE 10 1HG2 ILE 10 -7.410 3.639 13.736 73 HG22 ILE 10 2HG2 ILE 10 -7.888 5.275 13.276 74 HG23 ILE 10 3HG2 ILE 10 -6.193 4.792 13.186 75 HD11 ILE 10 3HD1 ILE 10 -9.881 5.260 11.019 76 HD12 ILE 10 1HD1 ILE 10 -9.815 4.836 12.731 77 HD13 ILE 10 2HD1 ILE 10 -10.900 3.968 11.647 78 H GLY 11 H GLY 11 -5.014 4.345 9.540 79 HA2 GLY 11 2HA GLY 11 -3.198 5.745 11.296 80 HA3 GLY 11 1HA GLY 11 -2.758 4.692 9.961 81 H GLY 12 H GLY 12 -4.940 6.719 8.669 82 HA2 GLY 12 2HA GLY 12 -4.860 8.767 7.589 83 HA3 GLY 12 1HA GLY 12 -3.303 9.071 8.341 84 H LYS 13 H LYS 13 -1.703 7.174 7.517 85 HA LYS 13 HA LYS 13 -1.256 7.824 4.755 86 HB2 LYS 13 2HB LYS 13 0.298 5.676 6.126 87 HB3 LYS 13 1HB LYS 13 0.854 6.926 5.025 88 HG2 LYS 13 2HG LYS 13 0.720 8.584 6.763 89 HG3 LYS 13 1HG LYS 13 0.020 7.409 7.877 90 HD2 LYS 13 2HD LYS 13 2.745 7.094 6.622 91 HD3 LYS 13 1HD LYS 13 2.480 7.869 8.183 92 HE2 LYS 13 2HE LYS 13 1.613 5.058 7.526 93 HE3 LYS 13 1HE LYS 13 3.135 5.456 8.314 94 HZ1 LYS 13 3HZ LYS 13 0.693 5.036 9.518 95 HZ2 LYS 13 1HZ LYS 13 0.963 6.706 9.639 96 HZ3 LYS 13 2HZ LYS 13 2.106 5.623 10.248 97 H GLN 14 H GLN 14 -3.236 6.883 3.916 98 HA GLN 14 HA GLN 14 -3.990 4.232 4.112 99 HB2 GLN 14 2HB GLN 14 -5.287 6.129 3.070 100 HB3 GLN 14 1HB GLN 14 -4.315 5.895 1.623 101 HG2 GLN 14 2HG GLN 14 -5.114 3.516 1.592 102 HG3 GLN 14 1HG GLN 14 -6.241 3.951 2.873 103 HE21 GLN 14 1HE2 GLN 14 -5.442 4.279 -0.480 104 HE22 GLN 14 2HE2 GLN 14 -6.941 4.991 -0.977 105 H ALA 15 H ALA 15 -1.581 5.656 1.965 106 HA ALA 15 HA ALA 15 -1.276 3.194 0.476 107 HB1 ALA 15 3HB ALA 15 0.395 5.695 0.328 108 HB2 ALA 15 1HB ALA 15 -1.068 5.402 -0.612 109 HB3 ALA 15 2HB ALA 15 0.350 4.375 -0.841 110 H LEU 16 H LEU 16 0.613 5.019 2.874 111 HA LEU 16 HA LEU 16 2.829 3.217 2.748 112 HB2 LEU 16 2HB LEU 16 2.080 5.409 4.657 113 HB3 LEU 16 1HB LEU 16 3.493 4.404 4.912 114 HG LEU 16 HG LEU 16 3.008 6.150 2.496 115 HD11 LEU 16 1HD1 LEU 16 4.834 6.489 4.867 116 HD12 LEU 16 2HD1 LEU 16 3.430 7.477 4.465 117 HD13 LEU 16 3HD1 LEU 16 4.849 7.493 3.419 118 HD21 LEU 16 3HD2 LEU 16 5.386 5.640 2.007 119 HD22 LEU 16 1HD2 LEU 16 4.325 4.236 1.885 120 HD23 LEU 16 2HD2 LEU 16 5.356 4.441 3.301 121 H GLU 17 H GLU 17 0.024 3.507 4.877 122 HA GLU 17 HA GLU 17 0.978 1.585 6.748 123 HB2 GLU 17 2HB GLU 17 -1.015 3.384 6.837 124 HB3 GLU 17 1HB GLU 17 -1.947 1.950 6.435 125 HG2 GLU 17 2HG GLU 17 -2.016 1.993 8.744 126 HG3 GLU 17 1HG GLU 17 -0.715 0.851 8.407 127 H THR 18 H THR 18 -0.936 1.395 3.805 128 HA THR 18 HA THR 18 -1.704 -1.320 4.206 129 HB THR 18 HB THR 18 -2.916 0.378 2.724 130 HG1 THR 18 HG1 THR 18 -2.408 -2.316 2.181 131 HG21 THR 18 3HG2 THR 18 -0.823 -0.518 0.741 132 HG22 THR 18 1HG2 THR 18 -1.014 1.118 1.378 133 HG23 THR 18 2HG2 THR 18 -2.270 0.414 0.362 134 H VAL 19 H VAL 19 0.996 0.259 2.541 135 HA VAL 19 HA VAL 19 1.874 -2.074 1.189 136 HB VAL 19 HB VAL 19 2.541 0.310 0.638 137 HG11 VAL 19 1HG1 VAL 19 4.535 1.205 1.706 138 HG12 VAL 19 2HG1 VAL 19 4.552 -0.153 2.834 139 HG13 VAL 19 3HG1 VAL 19 3.227 1.011 2.869 140 HG21 VAL 19 3HG2 VAL 19 3.553 -1.611 -0.455 141 HG22 VAL 19 1HG2 VAL 19 4.725 -1.757 0.854 142 HG23 VAL 19 2HG2 VAL 19 4.746 -0.340 -0.195 143 H GLN 20 H GLN 20 2.243 -0.955 4.433 144 HA GLN 20 HA GLN 20 4.530 -2.509 5.109 145 HB2 GLN 20 2HB GLN 20 2.367 -1.243 6.781 146 HB3 GLN 20 1HB GLN 20 3.723 -2.114 7.481 147 HG2 GLN 20 2HG GLN 20 5.275 -0.524 6.739 148 HG3 GLN 20 1HG GLN 20 4.135 0.177 5.592 149 HE21 GLN 20 1HE2 GLN 20 1.953 0.179 7.479 150 HE22 GLN 20 2HE2 GLN 20 2.254 1.459 8.603 151 H ARG 21 H ARG 21 1.151 -3.205 4.821 152 HA ARG 21 HA ARG 21 1.494 -5.753 6.234 153 HB2 ARG 21 2HB ARG 21 -0.686 -3.919 5.942 154 HB3 ARG 21 1HB ARG 21 -1.165 -5.486 5.303 155 HG2 ARG 21 2HG ARG 21 -1.778 -5.459 7.582 156 HG3 ARG 21 1HG ARG 21 -0.356 -6.497 7.454 157 HD2 ARG 21 2HD ARG 21 0.118 -5.187 9.314 158 HD3 ARG 21 1HD ARG 21 0.978 -4.360 8.016 159 HE ARG 21 HE ARG 21 -1.634 -3.308 8.307 160 HH11 ARG 21 1HH1 ARG 21 1.522 -3.274 9.835 161 HH12 ARG 21 2HH1 ARG 21 1.272 -1.734 10.591 162 HH21 ARG 21 1HH2 ARG 21 -1.945 -1.275 9.277 163 HH22 ARG 21 2HH2 ARG 21 -0.698 -0.600 10.277 164 H LEU 22 H LEU 22 0.880 -4.413 3.060 165 HA LEU 22 HA LEU 22 0.220 -6.940 1.878 166 HB2 LEU 22 2HB LEU 22 1.055 -4.341 0.594 167 HB3 LEU 22 1HB LEU 22 0.439 -5.737 -0.267 168 HG LEU 22 HG LEU 22 -1.100 -4.110 1.758 169 HD11 LEU 22 1HD1 LEU 22 -1.301 -4.252 -1.247 170 HD12 LEU 22 2HD1 LEU 22 -0.746 -2.876 -0.292 171 HD13 LEU 22 3HD1 LEU 22 -2.427 -3.402 -0.186 172 HD21 LEU 22 3HD2 LEU 22 -1.843 -6.393 1.813 173 HD22 LEU 22 1HD2 LEU 22 -1.906 -6.457 0.053 174 HD23 LEU 22 2HD2 LEU 22 -3.034 -5.433 0.937 175 H LEU 23 H LEU 23 3.127 -5.200 2.557 176 HA LEU 23 HA LEU 23 4.862 -6.256 0.664 177 HB2 LEU 23 2HB LEU 23 5.326 -4.404 2.311 178 HB3 LEU 23 1HB LEU 23 5.613 -5.645 3.514 179 HG LEU 23 HG LEU 23 7.392 -6.553 1.899 180 HD11 LEU 23 1HD1 LEU 23 8.365 -4.849 0.407 181 HD12 LEU 23 2HD1 LEU 23 7.001 -3.786 0.761 182 HD13 LEU 23 3HD1 LEU 23 6.734 -5.316 -0.077 183 HD21 LEU 23 3HD2 LEU 23 9.056 -4.939 2.730 184 HD22 LEU 23 1HD2 LEU 23 7.948 -5.472 3.994 185 HD23 LEU 23 2HD2 LEU 23 7.745 -3.883 3.257 186 HA PRO 24 HA PRO 24 6.014 -9.888 3.721 187 HB2 PRO 24 2HB PRO 24 4.026 -10.510 5.532 188 HB3 PRO 24 1HB PRO 24 5.481 -9.585 5.914 189 HG2 PRO 24 2HG PRO 24 2.720 -8.615 5.289 190 HG3 PRO 24 1HG PRO 24 3.868 -8.023 6.507 191 HD2 PRO 24 2HD PRO 24 3.492 -6.716 4.206 192 HD3 PRO 24 1HD PRO 24 5.103 -6.836 4.949 193 H VAL 25 H VAL 25 2.538 -9.396 3.143 194 HA VAL 25 HA VAL 25 1.865 -12.069 2.637 195 HB VAL 25 HB VAL 25 0.592 -9.588 1.461 196 HG11 VAL 25 1HG1 VAL 25 -1.403 -10.969 1.186 197 HG12 VAL 25 2HG1 VAL 25 -0.532 -12.369 1.812 198 HG13 VAL 25 3HG1 VAL 25 -0.048 -11.643 0.279 199 HG21 VAL 25 3HG2 VAL 25 0.633 -9.476 3.879 200 HG22 VAL 25 1HG2 VAL 25 -0.033 -11.107 3.991 201 HG23 VAL 25 2HG2 VAL 25 -1.010 -9.798 3.323 202 H LEU 26 H LEU 26 2.652 -9.447 0.365 203 HA LEU 26 HA LEU 26 2.555 -11.081 -1.941 204 HB2 LEU 26 2HB LEU 26 3.167 -8.336 -1.286 205 HB3 LEU 26 1HB LEU 26 4.285 -8.953 -2.482 206 HG LEU 26 HG LEU 26 2.375 -7.822 -3.519 207 HD11 LEU 26 1HD1 LEU 26 1.743 -9.576 -5.090 208 HD12 LEU 26 2HD1 LEU 26 2.378 -10.797 -3.988 209 HD13 LEU 26 3HD1 LEU 26 3.469 -9.628 -4.731 210 HD21 LEU 26 3HD2 LEU 26 0.707 -9.995 -2.267 211 HD22 LEU 26 1HD2 LEU 26 0.141 -8.751 -3.380 212 HD23 LEU 26 2HD2 LEU 26 0.718 -8.302 -1.774 213 H CYS 27 H CYS 27 5.096 -10.324 0.348 214 HA CYS 27 HA CYS 27 7.234 -11.326 -1.257 215 HB2 CYS 27 2HB CYS 27 7.160 -9.795 0.955 216 HB3 CYS 27 1HB CYS 27 7.500 -11.356 1.697 217 HG CYS 27 HG CYS 27 9.455 -10.664 -0.935 218 H GLN 28 H GLN 28 4.972 -12.721 0.986 219 HA GLN 28 HA GLN 28 6.396 -15.210 1.244 220 HB2 GLN 28 2HB GLN 28 4.910 -14.240 3.016 221 HB3 GLN 28 1HB GLN 28 3.533 -14.560 1.975 222 HG2 GLN 28 2HG GLN 28 3.904 -16.922 2.110 223 HG3 GLN 28 1HG GLN 28 5.413 -16.682 2.989 224 HE21 GLN 28 1HE2 GLN 28 2.532 -14.802 3.570 225 HE22 GLN 28 2HE2 GLN 28 2.192 -15.440 5.138 226 H ALA 29 H ALA 29 3.526 -14.035 -0.474 227 HA ALA 29 HA ALA 29 2.941 -16.565 -1.663 228 HB1 ALA 29 3HB ALA 29 1.290 -15.327 -2.978 229 HB2 ALA 29 1HB ALA 29 1.964 -13.806 -2.389 230 HB3 ALA 29 2HB ALA 29 1.194 -14.924 -1.262 231 H HIS 30 H HIS 30 4.256 -13.524 -3.010 232 HA HIS 30 HA HIS 30 5.085 -15.036 -5.391 233 HB2 HIS 30 2HB HIS 30 4.710 -12.083 -4.909 234 HB3 HIS 30 1HB HIS 30 5.508 -12.715 -6.342 235 HD1 HIS 30 HD1 HIS 30 3.209 -11.184 -7.118 236 HD2 HIS 30 HD2 HIS 30 2.749 -15.109 -5.826 237 HE1 HIS 30 HE1 HIS 30 0.983 -11.934 -8.012 238 HE2 HIS 30 HE2 HIS 30 0.674 -14.274 -7.125 239 H GLY 31 H GLY 31 6.349 -12.646 -3.072 240 HA2 GLY 31 2HA GLY 31 8.537 -13.089 -2.093 241 HA3 GLY 31 1HA GLY 31 9.039 -13.718 -3.656 242 H LEU 32 H LEU 32 8.378 -11.877 -5.433 243 HA LEU 32 HA LEU 32 10.330 -9.887 -5.120 244 HB2 LEU 32 2HB LEU 32 8.143 -10.375 -7.093 245 HB3 LEU 32 1HB LEU 32 9.026 -8.865 -7.147 246 HG LEU 32 HG LEU 32 9.993 -10.358 -8.742 247 HD11 LEU 32 1HD1 LEU 32 11.491 -8.922 -7.324 248 HD12 LEU 32 2HD1 LEU 32 12.263 -10.307 -8.091 249 HD13 LEU 32 3HD1 LEU 32 11.850 -10.368 -6.379 250 HD21 LEU 32 3HD2 LEU 32 9.245 -12.483 -7.931 251 HD22 LEU 32 1HD2 LEU 32 10.215 -12.321 -6.465 252 HD23 LEU 32 2HD2 LEU 32 11.005 -12.520 -8.028 253 H THR 33 H THR 33 6.912 -9.899 -4.486 254 HA THR 33 HA THR 33 5.421 -8.307 -3.874 255 HB THR 33 HB THR 33 6.383 -8.918 -1.740 256 HG1 THR 33 HG1 THR 33 5.427 -7.309 -0.704 257 HG21 THR 33 3HG2 THR 33 8.732 -8.345 -2.118 258 HG22 THR 33 1HG2 THR 33 8.126 -7.592 -0.643 259 HG23 THR 33 2HG2 THR 33 8.320 -6.629 -2.108 260 HA PRO 34 HA PRO 34 7.004 -4.842 -6.417 261 HB2 PRO 34 2HB PRO 34 4.320 -4.959 -7.577 262 HB3 PRO 34 1HB PRO 34 5.887 -5.118 -8.375 263 HG2 PRO 34 2HG PRO 34 4.209 -7.208 -8.088 264 HG3 PRO 34 1HG PRO 34 5.970 -7.400 -8.046 265 HD2 PRO 34 2HD PRO 34 4.025 -7.271 -5.764 266 HD3 PRO 34 1HD PRO 34 5.403 -8.367 -6.006 267 H GLU 35 H GLU 35 4.752 -5.210 -4.004 268 HA GLU 35 HA GLU 35 3.183 -2.893 -4.172 269 HB2 GLU 35 2HB GLU 35 4.149 -4.321 -1.688 270 HB3 GLU 35 1HB GLU 35 2.812 -3.181 -1.763 271 HG2 GLU 35 2HG GLU 35 2.976 -5.917 -2.986 272 HG3 GLU 35 1HG GLU 35 1.883 -5.357 -1.723 273 H GLN 36 H GLN 36 6.416 -3.459 -2.947 274 HA GLN 36 HA GLN 36 6.703 -0.861 -1.774 275 HB2 GLN 36 2HB GLN 36 9.095 -1.468 -1.577 276 HB3 GLN 36 1HB GLN 36 8.027 -2.703 -0.923 277 HG2 GLN 36 2HG GLN 36 8.290 -4.005 -2.982 278 HG3 GLN 36 1HG GLN 36 9.386 -2.773 -3.606 279 HE21 GLN 36 1HE2 GLN 36 9.833 -5.604 -3.070 280 HE22 GLN 36 2HE2 GLN 36 11.176 -5.669 -1.980 281 H VAL 37 H VAL 37 6.356 -1.717 -4.872 282 HA VAL 37 HA VAL 37 8.192 0.358 -5.870 283 HB VAL 37 HB VAL 37 6.947 -1.872 -7.488 284 HG11 VAL 37 1HG1 VAL 37 9.167 0.069 -8.122 285 HG12 VAL 37 2HG1 VAL 37 7.539 0.093 -8.796 286 HG13 VAL 37 3HG1 VAL 37 8.627 -1.245 -9.165 287 HG21 VAL 37 3HG2 VAL 37 8.466 -2.825 -5.843 288 HG22 VAL 37 1HG2 VAL 37 9.730 -1.698 -6.336 289 HG23 VAL 37 2HG2 VAL 37 9.162 -2.933 -7.460 290 H VAL 38 H VAL 38 5.089 -1.156 -6.823 291 HA VAL 38 HA VAL 38 4.236 1.130 -8.253 292 HB VAL 38 HB VAL 38 3.376 -1.029 -8.874 293 HG11 VAL 38 1HG1 VAL 38 3.379 -2.097 -6.678 294 HG12 VAL 38 2HG1 VAL 38 1.823 -2.291 -7.481 295 HG13 VAL 38 3HG1 VAL 38 2.007 -1.105 -6.189 296 HG21 VAL 38 3HG2 VAL 38 0.958 -0.530 -8.952 297 HG22 VAL 38 1HG2 VAL 38 1.959 0.854 -9.388 298 HG23 VAL 38 2HG2 VAL 38 1.214 0.772 -7.793 299 H ALA 39 H ALA 39 3.310 -0.073 -5.006 300 HA ALA 39 HA ALA 39 1.408 1.983 -4.551 301 HB1 ALA 39 3HB ALA 39 1.378 -0.136 -3.324 302 HB2 ALA 39 1HB ALA 39 1.419 1.251 -2.235 303 HB3 ALA 39 2HB ALA 39 2.883 0.310 -2.522 304 H ILE 40 H ILE 40 4.823 1.639 -3.738 305 HA ILE 40 HA ILE 40 4.999 4.009 -2.196 306 HB ILE 40 HB ILE 40 7.156 2.485 -3.668 307 HG12 ILE 40 2HG1 ILE 40 6.044 1.208 -1.890 308 HG13 ILE 40 1HG1 ILE 40 7.698 1.602 -1.437 309 HG21 ILE 40 1HG2 ILE 40 7.438 4.663 -1.602 310 HG22 ILE 40 2HG2 ILE 40 7.850 4.791 -3.313 311 HG23 ILE 40 3HG2 ILE 40 8.754 3.695 -2.267 312 HD11 ILE 40 3HD1 ILE 40 6.726 3.553 -0.148 313 HD12 ILE 40 1HD1 ILE 40 6.400 1.938 0.485 314 HD13 ILE 40 2HD1 ILE 40 5.153 2.803 -0.409 315 H ALA 41 H ALA 41 5.755 3.317 -5.607 316 HA ALA 41 HA ALA 41 6.662 5.871 -6.303 317 HB1 ALA 41 3HB ALA 41 5.220 3.931 -8.105 318 HB2 ALA 41 1HB ALA 41 6.938 3.866 -7.718 319 HB3 ALA 41 2HB ALA 41 6.286 5.244 -8.600 320 H SER 42 H SER 42 3.376 4.515 -6.357 321 HA SER 42 HA SER 42 2.163 6.810 -7.508 322 HB2 SER 42 2HB SER 42 0.871 4.685 -5.782 323 HB3 SER 42 1HB SER 42 0.049 5.778 -6.893 324 HG SER 42 HG SER 42 1.816 3.649 -7.497 325 H HIS 43 H HIS 43 3.021 5.912 -4.263 326 HA HIS 43 HA HIS 43 1.414 7.857 -2.942 327 HB2 HIS 43 2HB HIS 43 1.997 6.190 -1.471 328 HB3 HIS 43 1HB HIS 43 3.597 5.981 -2.167 329 HD1 HIS 43 HD1 HIS 43 1.743 8.472 0.052 330 HD2 HIS 43 HD2 HIS 43 5.592 7.073 -0.681 331 HE1 HIS 43 HE1 HIS 43 3.205 9.550 1.788 332 HE2 HIS 43 HE2 HIS 43 5.546 8.839 1.203 333 H ASP 44 H ASP 44 4.780 7.779 -4.056 334 HA ASP 44 HA ASP 44 5.278 10.451 -3.058 335 HB2 ASP 44 2HB ASP 44 6.992 8.564 -3.193 336 HB3 ASP 44 1HB ASP 44 7.041 8.873 -4.926 337 H GLY 45 H GLY 45 4.401 8.922 -6.052 338 HA2 GLY 45 2HA GLY 45 4.137 11.588 -7.272 339 HA3 GLY 45 1HA GLY 45 4.892 10.272 -8.164 340 H GLY 46 H GLY 46 1.995 11.815 -7.393 341 HA2 GLY 46 2HA GLY 46 0.225 11.089 -9.078 342 HA3 GLY 46 1HA GLY 46 0.398 9.512 -8.316 343 H LYS 47 H LYS 47 0.502 10.007 -5.706 344 HA LYS 47 HA LYS 47 -2.139 11.148 -5.146 345 HB2 LYS 47 2HB LYS 47 -0.336 9.280 -3.608 346 HB3 LYS 47 1HB LYS 47 -1.766 10.012 -2.892 347 HG2 LYS 47 2HG LYS 47 -3.096 8.997 -4.760 348 HG3 LYS 47 1HG LYS 47 -1.641 8.111 -5.215 349 HD2 LYS 47 2HD LYS 47 -3.032 6.701 -3.841 350 HD3 LYS 47 1HD LYS 47 -1.580 7.136 -2.938 351 HE2 LYS 47 2HE LYS 47 -3.702 7.245 -1.620 352 HE3 LYS 47 1HE LYS 47 -2.778 8.744 -1.641 353 HZ1 LYS 47 3HZ LYS 47 -4.786 8.477 -3.717 354 HZ2 LYS 47 1HZ LYS 47 -4.378 9.820 -2.765 355 HZ3 LYS 47 2HZ LYS 47 -5.387 8.607 -2.147 356 H GLN 48 H GLN 48 0.126 12.847 -5.660 357 HA GLN 48 HA GLN 48 0.530 14.072 -3.013 358 HB2 GLN 48 2HB GLN 48 2.187 14.179 -5.528 359 HB3 GLN 48 1HB GLN 48 2.437 15.274 -4.175 360 HG2 GLN 48 2HG GLN 48 2.563 12.276 -3.987 361 HG3 GLN 48 1HG GLN 48 3.963 13.329 -4.194 362 HE21 GLN 48 1HE2 GLN 48 3.158 11.483 -2.011 363 HE22 GLN 48 2HE2 GLN 48 3.198 12.452 -0.574 364 H ALA 49 H ALA 49 -1.129 14.352 -5.891 365 HA ALA 49 HA ALA 49 -1.504 17.247 -5.503 366 HB1 ALA 49 3HB ALA 49 -2.078 17.405 -7.853 367 HB2 ALA 49 1HB ALA 49 -1.898 15.660 -8.036 368 HB3 ALA 49 2HB ALA 49 -0.493 16.655 -7.667 369 H LEU 50 H LEU 50 -2.884 14.487 -4.685 370 HA LEU 50 HA LEU 50 -5.616 15.289 -5.389 371 HB2 LEU 50 2HB LEU 50 -4.331 12.698 -4.702 372 HB3 LEU 50 1HB LEU 50 -5.999 12.918 -4.215 373 HG LEU 50 HG LEU 50 -5.913 11.754 -6.330 374 HD11 LEU 50 1HD1 LEU 50 -7.726 13.406 -5.918 375 HD12 LEU 50 2HD1 LEU 50 -7.384 13.113 -7.623 376 HD13 LEU 50 3HD1 LEU 50 -6.798 14.584 -6.849 377 HD21 LEU 50 3HD2 LEU 50 -4.972 12.754 -8.337 378 HD22 LEU 50 1HD2 LEU 50 -3.733 12.545 -7.098 379 HD23 LEU 50 2HD2 LEU 50 -4.418 14.141 -7.399 380 H GLU 51 H GLU 51 -3.716 14.124 -2.618 381 HA GLU 51 HA GLU 51 -5.613 15.511 -0.856 382 HB2 GLU 51 2HB GLU 51 -4.581 13.978 0.932 383 HB3 GLU 51 1HB GLU 51 -5.689 13.257 -0.225 384 HG2 GLU 51 2HG GLU 51 -2.900 13.172 -1.077 385 HG3 GLU 51 1HG GLU 51 -3.213 12.297 0.420 Start of MODEL 12 1 H1 GLU 1 1HT GLU 1 -16.042 -3.680 4.040 2 H2 GLU 1 2HT GLU 1 -15.695 -5.155 4.784 3 H3 GLU 1 3HT GLU 1 -14.931 -4.739 3.333 4 HA GLU 1 HA GLU 1 -13.948 -2.802 4.498 5 HB2 GLU 1 2HB GLU 1 -13.762 -3.115 7.003 6 HB3 GLU 1 1HB GLU 1 -15.334 -2.596 6.416 7 HG2 GLU 1 2HG GLU 1 -14.767 -5.490 6.911 8 HG3 GLU 1 1HG GLU 1 -15.194 -4.411 8.238 9 H GLN 2 H GLN 2 -12.079 -3.417 3.651 10 HA GLN 2 HA GLN 2 -10.980 -6.047 4.190 11 HB2 GLN 2 2HB GLN 2 -10.912 -4.656 1.958 12 HB3 GLN 2 1HB GLN 2 -9.513 -3.900 2.704 13 HG2 GLN 2 2HG GLN 2 -9.111 -5.874 1.147 14 HG3 GLN 2 1HG GLN 2 -8.289 -5.877 2.706 15 HE21 GLN 2 1HE2 GLN 2 -10.917 -7.260 0.850 16 HE22 GLN 2 2HE2 GLN 2 -11.131 -8.658 1.843 17 H VAL 3 H VAL 3 -8.948 -6.409 5.167 18 HA VAL 3 HA VAL 3 -8.476 -4.973 7.515 19 HB VAL 3 HB VAL 3 -6.308 -6.209 7.646 20 HG11 VAL 3 1HG1 VAL 3 -7.337 -8.428 7.830 21 HG12 VAL 3 2HG1 VAL 3 -8.744 -7.839 6.944 22 HG13 VAL 3 3HG1 VAL 3 -8.353 -7.166 8.528 23 HG21 VAL 3 3HG2 VAL 3 -7.172 -7.326 4.979 24 HG22 VAL 3 1HG2 VAL 3 -5.832 -7.925 5.957 25 HG23 VAL 3 2HG2 VAL 3 -5.768 -6.301 5.274 26 H VAL 4 H VAL 4 -7.091 -4.588 4.311 27 HA VAL 4 HA VAL 4 -4.982 -2.850 5.116 28 HB VAL 4 HB VAL 4 -4.722 -2.329 2.740 29 HG11 VAL 4 1HG1 VAL 4 -4.158 -4.530 1.963 30 HG12 VAL 4 2HG1 VAL 4 -5.264 -5.271 3.118 31 HG13 VAL 4 3HG1 VAL 4 -3.818 -4.439 3.691 32 HG21 VAL 4 3HG2 VAL 4 -6.185 -3.296 1.048 33 HG22 VAL 4 1HG2 VAL 4 -7.092 -2.226 2.119 34 HG23 VAL 4 2HG2 VAL 4 -7.216 -3.975 2.311 35 H ALA 5 H ALA 5 -8.334 -2.413 4.273 36 HA ALA 5 HA ALA 5 -8.159 0.426 3.908 37 HB1 ALA 5 3HB ALA 5 -10.606 0.357 3.842 38 HB2 ALA 5 1HB ALA 5 -10.571 -1.332 4.351 39 HB3 ALA 5 2HB ALA 5 -9.901 -0.871 2.787 40 H ILE 6 H ILE 6 -9.297 -1.752 6.469 41 HA ILE 6 HA ILE 6 -10.188 0.145 8.295 42 HB ILE 6 HB ILE 6 -8.831 -2.488 8.908 43 HG12 ILE 6 2HG1 ILE 6 -11.786 -1.891 8.759 44 HG13 ILE 6 1HG1 ILE 6 -10.869 -2.538 7.403 45 HG21 ILE 6 1HG2 ILE 6 -8.930 -0.974 10.841 46 HG22 ILE 6 2HG2 ILE 6 -9.952 -2.395 11.048 47 HG23 ILE 6 3HG2 ILE 6 -10.677 -0.842 10.630 48 HD11 ILE 6 3HD1 ILE 6 -11.218 -3.857 10.089 49 HD12 ILE 6 1HD1 ILE 6 -10.304 -4.510 8.728 50 HD13 ILE 6 2HD1 ILE 6 -12.048 -4.294 8.597 51 H ALA 7 H ALA 7 -6.936 -1.270 7.971 52 HA ALA 7 HA ALA 7 -5.731 0.159 10.064 53 HB1 ALA 7 3HB ALA 7 -3.605 -0.426 9.001 54 HB2 ALA 7 1HB ALA 7 -4.462 -0.898 7.537 55 HB3 ALA 7 2HB ALA 7 -4.702 -1.805 9.029 56 H SER 8 H SER 8 -6.183 0.924 6.657 57 HA SER 8 HA SER 8 -4.621 3.271 6.593 58 HB2 SER 8 2HB SER 8 -6.913 2.332 4.866 59 HB3 SER 8 1HB SER 8 -5.948 3.764 4.518 60 HG SER 8 HG SER 8 -5.205 1.045 4.481 61 H ASN 9 H ASN 9 -8.009 2.663 7.309 62 HA ASN 9 HA ASN 9 -8.822 5.379 7.366 63 HB2 ASN 9 2HB ASN 9 -10.023 2.864 8.514 64 HB3 ASN 9 1HB ASN 9 -10.784 4.442 8.696 65 HD21 ASN 9 1HD2 ASN 9 -11.563 1.952 7.250 66 HD22 ASN 9 2HD2 ASN 9 -11.912 2.473 5.639 67 H ILE 10 H ILE 10 -7.217 3.338 9.636 68 HA ILE 10 HA ILE 10 -7.795 5.071 11.885 69 HB ILE 10 HB ILE 10 -5.926 2.704 11.685 70 HG12 ILE 10 2HG1 ILE 10 -8.647 2.916 12.989 71 HG13 ILE 10 1HG1 ILE 10 -8.366 2.220 11.398 72 HG21 ILE 10 1HG2 ILE 10 -5.908 2.758 14.139 73 HG22 ILE 10 2HG2 ILE 10 -6.858 4.247 14.105 74 HG23 ILE 10 3HG2 ILE 10 -5.222 4.229 13.445 75 HD11 ILE 10 3HD1 ILE 10 -7.199 1.197 13.974 76 HD12 ILE 10 1HD1 ILE 10 -7.004 0.475 12.378 77 HD13 ILE 10 2HD1 ILE 10 -8.596 0.523 13.138 78 H GLY 11 H GLY 11 -5.051 4.262 9.810 79 HA2 GLY 11 2HA GLY 11 -3.253 6.059 11.140 80 HA3 GLY 11 1HA GLY 11 -2.965 5.233 9.616 81 H GLY 12 H GLY 12 -4.498 6.118 7.797 82 HA2 GLY 12 2HA GLY 12 -5.684 8.318 7.292 83 HA3 GLY 12 1HA GLY 12 -4.197 9.050 7.871 84 H LYS 13 H LYS 13 -2.769 6.639 6.557 85 HA LYS 13 HA LYS 13 -2.727 7.864 3.879 86 HB2 LYS 13 2HB LYS 13 -0.586 6.351 5.377 87 HB3 LYS 13 1HB LYS 13 -0.451 6.812 3.686 88 HG2 LYS 13 2HG LYS 13 0.659 8.544 4.647 89 HG3 LYS 13 1HG LYS 13 -0.974 9.207 4.653 90 HD2 LYS 13 2HD LYS 13 -0.056 9.606 6.810 91 HD3 LYS 13 1HD LYS 13 -1.226 8.295 6.984 92 HE2 LYS 13 2HE LYS 13 1.300 7.152 6.370 93 HE3 LYS 13 1HE LYS 13 1.534 8.323 7.667 94 HZ1 LYS 13 3HZ LYS 13 1.028 6.303 8.706 95 HZ2 LYS 13 1HZ LYS 13 -0.247 5.954 7.643 96 HZ3 LYS 13 2HZ LYS 13 -0.402 7.196 8.785 97 H GLN 14 H GLN 14 -4.260 6.719 2.854 98 HA GLN 14 HA GLN 14 -4.863 4.031 3.068 99 HB2 GLN 14 2HB GLN 14 -5.079 5.641 0.525 100 HB3 GLN 14 1HB GLN 14 -6.053 4.254 0.995 101 HG2 GLN 14 2HG GLN 14 -6.033 6.835 2.537 102 HG3 GLN 14 1HG GLN 14 -7.144 6.512 1.210 103 HE21 GLN 14 1HE2 GLN 14 -7.650 6.994 4.068 104 HE22 GLN 14 2HE2 GLN 14 -8.548 5.621 4.618 105 H ALA 15 H ALA 15 -2.334 5.548 1.185 106 HA ALA 15 HA ALA 15 -1.765 3.149 -0.301 107 HB1 ALA 15 3HB ALA 15 0.076 4.408 -1.267 108 HB2 ALA 15 1HB ALA 15 -0.181 5.704 -0.098 109 HB3 ALA 15 2HB ALA 15 -1.416 5.346 -1.306 110 H LEU 16 H LEU 16 -0.161 4.936 2.328 111 HA LEU 16 HA LEU 16 2.054 3.169 2.484 112 HB2 LEU 16 2HB LEU 16 1.007 5.391 4.157 113 HB3 LEU 16 1HB LEU 16 2.177 4.298 4.870 114 HG LEU 16 HG LEU 16 2.647 5.818 2.304 115 HD11 LEU 16 1HD1 LEU 16 3.532 6.452 5.114 116 HD12 LEU 16 2HD1 LEU 16 2.400 7.383 4.132 117 HD13 LEU 16 3HD1 LEU 16 4.096 7.268 3.655 118 HD21 LEU 16 3HD2 LEU 16 5.006 5.234 2.754 119 HD22 LEU 16 1HD2 LEU 16 3.992 3.823 2.466 120 HD23 LEU 16 2HD2 LEU 16 4.476 4.239 4.108 121 H GLU 17 H GLU 17 -0.988 3.356 4.286 122 HA GLU 17 HA GLU 17 -0.253 1.344 6.154 123 HB2 GLU 17 2HB GLU 17 -2.758 2.779 5.438 124 HB3 GLU 17 1HB GLU 17 -2.917 1.256 6.302 125 HG2 GLU 17 2HG GLU 17 -2.909 2.924 7.948 126 HG3 GLU 17 1HG GLU 17 -1.309 2.191 8.006 127 H THR 18 H THR 18 -1.904 1.289 3.043 128 HA THR 18 HA THR 18 -2.696 -1.438 3.205 129 HB THR 18 HB THR 18 -2.415 0.417 0.836 130 HG1 THR 18 HG1 THR 18 -4.146 1.079 1.972 131 HG21 THR 18 3HG2 THR 18 -3.720 -1.225 -0.435 132 HG22 THR 18 1HG2 THR 18 -3.659 -2.338 0.930 133 HG23 THR 18 2HG2 THR 18 -2.174 -1.900 0.081 134 H VAL 19 H VAL 19 0.112 0.209 1.735 135 HA VAL 19 HA VAL 19 1.145 -2.104 0.487 136 HB VAL 19 HB VAL 19 1.814 0.248 -0.072 137 HG11 VAL 19 1HG1 VAL 19 2.221 0.988 2.265 138 HG12 VAL 19 2HG1 VAL 19 3.549 1.351 1.165 139 HG13 VAL 19 3HG1 VAL 19 3.675 -0.006 2.284 140 HG21 VAL 19 3HG2 VAL 19 4.152 -0.334 -0.594 141 HG22 VAL 19 1HG2 VAL 19 3.024 -1.631 -0.987 142 HG23 VAL 19 2HG2 VAL 19 4.018 -1.736 0.465 143 H GLN 20 H GLN 20 1.603 -0.788 3.730 144 HA GLN 20 HA GLN 20 3.720 -2.552 4.448 145 HB2 GLN 20 2HB GLN 20 1.814 -0.829 6.000 146 HB3 GLN 20 1HB GLN 20 2.895 -1.939 6.831 147 HG2 GLN 20 2HG GLN 20 4.818 -0.819 5.958 148 HG3 GLN 20 1HG GLN 20 3.816 0.192 4.917 149 HE21 GLN 20 1HE2 GLN 20 2.653 1.867 5.804 150 HE22 GLN 20 2HE2 GLN 20 2.972 2.482 7.387 151 H ARG 21 H ARG 21 0.251 -2.774 4.450 152 HA ARG 21 HA ARG 21 0.181 -5.112 6.130 153 HB2 ARG 21 2HB ARG 21 -1.623 -3.323 5.954 154 HB3 ARG 21 1HB ARG 21 -2.055 -4.053 4.415 155 HG2 ARG 21 2HG ARG 21 -3.515 -4.859 6.160 156 HG3 ARG 21 1HG ARG 21 -2.504 -6.175 5.563 157 HD2 ARG 21 2HD ARG 21 -1.321 -4.720 7.799 158 HD3 ARG 21 1HD ARG 21 -2.853 -5.492 8.201 159 HE ARG 21 HE ARG 21 -0.419 -6.850 7.265 160 HH11 ARG 21 1HH1 ARG 21 -3.604 -6.968 8.702 161 HH12 ARG 21 2HH1 ARG 21 -3.490 -8.641 9.143 162 HH21 ARG 21 1HH2 ARG 21 -0.249 -9.069 7.865 163 HH22 ARG 21 2HH2 ARG 21 -1.581 -9.828 8.677 164 H LEU 22 H LEU 22 0.167 -4.429 2.682 165 HA LEU 22 HA LEU 22 -0.434 -7.201 2.033 166 HB2 LEU 22 2HB LEU 22 0.077 -4.771 0.335 167 HB3 LEU 22 1HB LEU 22 -0.123 -6.376 -0.340 168 HG LEU 22 HG LEU 22 -2.189 -4.846 1.243 169 HD11 LEU 22 1HD1 LEU 22 -2.086 -5.628 -1.665 170 HD12 LEU 22 2HD1 LEU 22 -1.840 -4.004 -1.023 171 HD13 LEU 22 3HD1 LEU 22 -3.412 -4.788 -0.861 172 HD21 LEU 22 3HD2 LEU 22 -2.222 -7.620 0.068 173 HD22 LEU 22 1HD2 LEU 22 -3.681 -6.741 0.526 174 HD23 LEU 22 2HD2 LEU 22 -2.482 -7.154 1.748 175 H LEU 23 H LEU 23 2.318 -5.295 2.596 176 HA LEU 23 HA LEU 23 4.226 -6.325 0.902 177 HB2 LEU 23 2HB LEU 23 4.455 -4.479 2.637 178 HB3 LEU 23 1HB LEU 23 4.766 -5.748 3.803 179 HG LEU 23 HG LEU 23 6.639 -6.457 2.112 180 HD11 LEU 23 1HD1 LEU 23 7.619 -4.565 0.935 181 HD12 LEU 23 2HD1 LEU 23 6.282 -3.538 1.453 182 HD13 LEU 23 3HD1 LEU 23 5.983 -4.889 0.356 183 HD21 LEU 23 3HD2 LEU 23 6.845 -4.050 3.916 184 HD22 LEU 23 1HD2 LEU 23 8.214 -4.958 3.275 185 HD23 LEU 23 2HD2 LEU 23 7.078 -5.737 4.376 186 HA PRO 24 HA PRO 24 5.154 -9.955 4.007 187 HB2 PRO 24 2HB PRO 24 3.129 -10.656 5.698 188 HB3 PRO 24 1HB PRO 24 4.437 -9.555 6.147 189 HG2 PRO 24 2HG PRO 24 1.660 -8.922 5.214 190 HG3 PRO 24 1HG PRO 24 2.581 -8.201 6.548 191 HD2 PRO 24 2HD PRO 24 2.358 -6.967 4.180 192 HD3 PRO 24 1HD PRO 24 3.860 -6.895 5.124 193 H VAL 25 H VAL 25 2.297 -9.312 2.295 194 HA VAL 25 HA VAL 25 1.534 -12.112 2.040 195 HB VAL 25 HB VAL 25 0.316 -9.699 0.678 196 HG11 VAL 25 1HG1 VAL 25 -1.613 -11.167 0.318 197 HG12 VAL 25 2HG1 VAL 25 -0.732 -12.504 1.056 198 HG13 VAL 25 3HG1 VAL 25 -0.162 -11.802 -0.458 199 HG21 VAL 25 3HG2 VAL 25 0.129 -9.485 3.097 200 HG22 VAL 25 1HG2 VAL 25 -0.554 -11.104 3.202 201 HG23 VAL 25 2HG2 VAL 25 -1.445 -9.824 2.382 202 H LEU 26 H LEU 26 2.503 -9.414 -0.087 203 HA LEU 26 HA LEU 26 2.826 -11.107 -2.360 204 HB2 LEU 26 2HB LEU 26 3.424 -8.251 -1.752 205 HB3 LEU 26 1HB LEU 26 4.185 -8.984 -3.148 206 HG LEU 26 HG LEU 26 2.233 -7.861 -3.918 207 HD11 LEU 26 1HD1 LEU 26 1.040 -9.591 -5.006 208 HD12 LEU 26 2HD1 LEU 26 1.426 -10.752 -3.738 209 HD13 LEU 26 3HD1 LEU 26 2.697 -10.166 -4.810 210 HD21 LEU 26 3HD2 LEU 26 1.053 -7.635 -1.811 211 HD22 LEU 26 1HD2 LEU 26 0.704 -9.364 -1.798 212 HD23 LEU 26 2HD2 LEU 26 -0.008 -8.330 -3.036 213 H CYS 27 H CYS 27 4.954 -10.035 0.210 214 HA CYS 27 HA CYS 27 7.367 -10.771 -1.114 215 HB2 CYS 27 2HB CYS 27 8.472 -10.361 0.926 216 HB3 CYS 27 1HB CYS 27 7.121 -9.233 0.922 217 HG CYS 27 HG CYS 27 7.200 -12.195 2.640 218 H GLN 28 H GLN 28 4.879 -12.533 0.382 219 HA GLN 28 HA GLN 28 6.556 -14.897 0.780 220 HB2 GLN 28 2HB GLN 28 4.892 -14.167 2.524 221 HB3 GLN 28 1HB GLN 28 3.612 -14.551 1.385 222 HG2 GLN 28 2HG GLN 28 3.919 -16.348 2.980 223 HG3 GLN 28 1HG GLN 28 4.332 -16.882 1.353 224 HE21 GLN 28 1HE2 GLN 28 5.548 -18.577 2.262 225 HE22 GLN 28 2HE2 GLN 28 7.128 -18.294 2.907 226 H ALA 29 H ALA 29 3.718 -13.791 -1.028 227 HA ALA 29 HA ALA 29 3.355 -16.253 -2.428 228 HB1 ALA 29 3HB ALA 29 1.719 -15.039 -3.752 229 HB2 ALA 29 1HB ALA 29 2.297 -13.508 -3.092 230 HB3 ALA 29 2HB ALA 29 1.515 -14.685 -2.036 231 H HIS 30 H HIS 30 5.207 -13.342 -3.038 232 HA HIS 30 HA HIS 30 6.167 -14.583 -5.530 233 HB2 HIS 30 2HB HIS 30 5.223 -11.797 -5.060 234 HB3 HIS 30 1HB HIS 30 6.580 -12.031 -6.156 235 HD1 HIS 30 HD1 HIS 30 6.076 -12.968 -8.466 236 HD2 HIS 30 HD2 HIS 30 2.785 -13.010 -5.922 237 HE1 HIS 30 HE1 HIS 30 4.101 -13.554 -9.913 238 HE2 HIS 30 HE2 HIS 30 2.114 -13.514 -8.367 239 H GLY 31 H GLY 31 6.960 -12.081 -3.109 240 HA2 GLY 31 2HA GLY 31 8.935 -12.101 -1.816 241 HA3 GLY 31 1HA GLY 31 9.660 -13.201 -2.975 242 H LEU 32 H LEU 32 8.642 -11.351 -5.170 243 HA LEU 32 HA LEU 32 11.033 -9.839 -5.443 244 HB2 LEU 32 2HB LEU 32 9.735 -10.775 -7.330 245 HB3 LEU 32 1HB LEU 32 8.460 -9.618 -7.002 246 HG LEU 32 HG LEU 32 10.194 -7.802 -7.417 247 HD11 LEU 32 1HD1 LEU 32 12.187 -9.156 -7.185 248 HD12 LEU 32 2HD1 LEU 32 12.110 -8.451 -8.800 249 HD13 LEU 32 3HD1 LEU 32 11.696 -10.148 -8.557 250 HD21 LEU 32 3HD2 LEU 32 8.442 -8.326 -9.017 251 HD22 LEU 32 1HD2 LEU 32 9.414 -9.641 -9.674 252 HD23 LEU 32 2HD2 LEU 32 9.953 -7.973 -9.853 253 H THR 33 H THR 33 8.186 -9.240 -3.776 254 HA THR 33 HA THR 33 7.135 -7.440 -2.892 255 HB THR 33 HB THR 33 8.842 -5.606 -2.093 256 HG1 THR 33 HG1 THR 33 10.476 -6.834 -3.545 257 HG21 THR 33 3HG2 THR 33 7.716 -7.178 -0.618 258 HG22 THR 33 1HG2 THR 33 9.410 -7.011 -0.160 259 HG23 THR 33 2HG2 THR 33 8.875 -8.434 -1.052 260 HA PRO 34 HA PRO 34 7.332 -4.792 -6.686 261 HB2 PRO 34 2HB PRO 34 5.015 -5.486 -7.829 262 HB3 PRO 34 1HB PRO 34 6.467 -6.471 -8.025 263 HG2 PRO 34 2HG PRO 34 4.107 -6.906 -6.250 264 HG3 PRO 34 1HG PRO 34 5.052 -8.091 -7.168 265 HD2 PRO 34 2HD PRO 34 5.349 -7.558 -4.460 266 HD3 PRO 34 1HD PRO 34 6.568 -8.338 -5.486 267 H GLU 35 H GLU 35 5.164 -5.296 -4.099 268 HA GLU 35 HA GLU 35 3.201 -3.350 -4.582 269 HB2 GLU 35 2HB GLU 35 3.850 -3.579 -1.763 270 HB3 GLU 35 1HB GLU 35 2.371 -4.005 -2.607 271 HG2 GLU 35 2HG GLU 35 3.103 -5.983 -1.606 272 HG3 GLU 35 1HG GLU 35 3.555 -6.134 -3.302 273 H GLN 36 H GLN 36 6.072 -3.154 -2.480 274 HA GLN 36 HA GLN 36 5.800 -0.387 -1.991 275 HB2 GLN 36 2HB GLN 36 8.125 -0.504 -1.162 276 HB3 GLN 36 1HB GLN 36 7.094 -1.764 -0.501 277 HG2 GLN 36 2HG GLN 36 8.295 -3.411 -1.433 278 HG3 GLN 36 1HG GLN 36 8.558 -2.518 -2.930 279 HE21 GLN 36 1HE2 GLN 36 10.724 -3.100 -2.983 280 HE22 GLN 36 2HE2 GLN 36 11.891 -2.396 -1.921 281 H VAL 37 H VAL 37 6.814 -1.998 -4.778 282 HA VAL 37 HA VAL 37 8.516 0.176 -5.685 283 HB VAL 37 HB VAL 37 7.661 -2.306 -7.181 284 HG11 VAL 37 1HG1 VAL 37 9.630 -1.793 -8.604 285 HG12 VAL 37 2HG1 VAL 37 9.809 -0.265 -7.745 286 HG13 VAL 37 3HG1 VAL 37 8.362 -0.573 -8.704 287 HG21 VAL 37 3HG2 VAL 37 8.907 -2.969 -5.244 288 HG22 VAL 37 1HG2 VAL 37 10.126 -1.730 -5.545 289 HG23 VAL 37 2HG2 VAL 37 9.967 -3.096 -6.647 290 H VAL 38 H VAL 38 5.238 -0.998 -6.138 291 HA VAL 38 HA VAL 38 4.866 1.035 -8.221 292 HB VAL 38 HB VAL 38 4.189 -1.226 -8.865 293 HG11 VAL 38 1HG1 VAL 38 3.513 -2.126 -6.718 294 HG12 VAL 38 2HG1 VAL 38 2.195 -2.266 -7.881 295 HG13 VAL 38 3HG1 VAL 38 2.152 -1.001 -6.652 296 HG21 VAL 38 3HG2 VAL 38 1.949 -0.669 -9.699 297 HG22 VAL 38 1HG2 VAL 38 3.083 0.668 -9.896 298 HG23 VAL 38 2HG2 VAL 38 1.892 0.706 -8.596 299 H ALA 39 H ALA 39 3.434 -0.070 -5.146 300 HA ALA 39 HA ALA 39 1.349 1.837 -5.090 301 HB1 ALA 39 3HB ALA 39 1.339 -0.178 -3.705 302 HB2 ALA 39 1HB ALA 39 1.134 1.279 -2.733 303 HB3 ALA 39 2HB ALA 39 2.692 0.460 -2.774 304 H ILE 40 H ILE 40 4.586 1.852 -3.621 305 HA ILE 40 HA ILE 40 4.323 4.388 -2.407 306 HB ILE 40 HB ILE 40 6.859 3.006 -3.301 307 HG12 ILE 40 2HG1 ILE 40 5.469 1.664 -1.743 308 HG13 ILE 40 1HG1 ILE 40 7.003 2.148 -1.028 309 HG21 ILE 40 1HG2 ILE 40 7.988 4.410 -1.649 310 HG22 ILE 40 2HG2 ILE 40 6.463 5.219 -1.288 311 HG23 ILE 40 3HG2 ILE 40 7.195 5.391 -2.882 312 HD11 ILE 40 3HD1 ILE 40 4.280 3.294 -0.486 313 HD12 ILE 40 1HD1 ILE 40 5.776 4.020 0.091 314 HD13 ILE 40 2HD1 ILE 40 5.321 2.401 0.623 315 H ALA 41 H ALA 41 5.447 3.333 -5.566 316 HA ALA 41 HA ALA 41 6.382 5.859 -6.444 317 HB1 ALA 41 3HB ALA 41 7.092 3.752 -7.469 318 HB2 ALA 41 1HB ALA 41 6.433 4.870 -8.662 319 HB3 ALA 41 2HB ALA 41 5.462 3.512 -8.094 320 H SER 42 H SER 42 3.244 4.574 -6.057 321 HA SER 42 HA SER 42 2.001 6.261 -8.040 322 HB2 SER 42 2HB SER 42 0.756 4.654 -5.790 323 HB3 SER 42 1HB SER 42 -0.121 5.425 -7.112 324 HG SER 42 HG SER 42 1.935 3.533 -7.572 325 H HIS 43 H HIS 43 2.547 6.274 -4.565 326 HA HIS 43 HA HIS 43 1.057 8.734 -4.205 327 HB2 HIS 43 2HB HIS 43 0.860 7.219 -2.387 328 HB3 HIS 43 1HB HIS 43 2.597 6.945 -2.324 329 HD1 HIS 43 HD1 HIS 43 0.457 10.115 -2.032 330 HD2 HIS 43 HD2 HIS 43 3.537 8.106 -0.083 331 HE1 HIS 43 HE1 HIS 43 1.037 11.526 -0.039 332 HE2 HIS 43 HE2 HIS 43 2.762 10.196 1.226 333 H ASP 44 H ASP 44 4.438 7.721 -3.674 334 HA ASP 44 HA ASP 44 5.273 10.485 -3.467 335 HB2 ASP 44 2HB ASP 44 6.595 7.831 -3.099 336 HB3 ASP 44 1HB ASP 44 7.593 9.261 -3.344 337 H GLY 45 H GLY 45 4.312 9.074 -6.030 338 HA2 GLY 45 2HA GLY 45 6.404 10.258 -7.707 339 HA3 GLY 45 1HA GLY 45 5.857 8.621 -8.047 340 H GLY 46 H GLY 46 3.646 11.003 -6.829 341 HA2 GLY 46 2HA GLY 46 2.706 12.274 -9.047 342 HA3 GLY 46 1HA GLY 46 1.967 10.686 -9.141 343 H LYS 47 H LYS 47 0.945 9.977 -6.965 344 HA LYS 47 HA LYS 47 -1.040 11.956 -6.347 345 HB2 LYS 47 2HB LYS 47 -1.173 9.300 -6.488 346 HB3 LYS 47 1HB LYS 47 -0.850 9.443 -4.765 347 HG2 LYS 47 2HG LYS 47 -3.045 9.679 -4.519 348 HG3 LYS 47 1HG LYS 47 -2.834 11.299 -5.186 349 HD2 LYS 47 2HD LYS 47 -3.369 8.839 -6.844 350 HD3 LYS 47 1HD LYS 47 -4.620 9.954 -6.299 351 HE2 LYS 47 2HE LYS 47 -3.515 11.776 -7.510 352 HE3 LYS 47 1HE LYS 47 -2.267 10.655 -8.053 353 HZ1 LYS 47 3HZ LYS 47 -3.879 10.952 -9.774 354 HZ2 LYS 47 1HZ LYS 47 -5.153 10.562 -8.735 355 HZ3 LYS 47 2HZ LYS 47 -4.029 9.378 -9.178 356 H GLN 48 H GLN 48 1.023 13.247 -5.561 357 HA GLN 48 HA GLN 48 0.930 13.109 -2.624 358 HB2 GLN 48 2HB GLN 48 3.292 13.828 -2.539 359 HB3 GLN 48 1HB GLN 48 3.101 12.246 -3.279 360 HG2 GLN 48 2HG GLN 48 3.112 13.541 -5.511 361 HG3 GLN 48 1HG GLN 48 3.805 14.853 -4.560 362 HE21 GLN 48 1HE2 GLN 48 5.222 13.023 -2.771 363 HE22 GLN 48 2HE2 GLN 48 6.556 12.412 -3.685 364 H ALA 49 H ALA 49 0.836 14.911 -5.530 365 HA ALA 49 HA ALA 49 0.826 17.466 -4.090 366 HB1 ALA 49 3HB ALA 49 1.000 18.503 -6.303 367 HB2 ALA 49 1HB ALA 49 0.895 16.914 -7.062 368 HB3 ALA 49 2HB ALA 49 2.284 17.322 -6.056 369 H LEU 50 H LEU 50 -1.282 15.135 -4.801 370 HA LEU 50 HA LEU 50 -3.476 16.916 -5.592 371 HB2 LEU 50 2HB LEU 50 -3.089 13.943 -5.721 372 HB3 LEU 50 1HB LEU 50 -4.696 14.633 -5.791 373 HG LEU 50 HG LEU 50 -4.102 14.271 -8.024 374 HD11 LEU 50 1HD1 LEU 50 -4.062 16.434 -9.016 375 HD12 LEU 50 2HD1 LEU 50 -3.352 17.151 -7.571 376 HD13 LEU 50 3HD1 LEU 50 -5.008 16.539 -7.531 377 HD21 LEU 50 3HD2 LEU 50 -1.970 15.012 -9.009 378 HD22 LEU 50 1HD2 LEU 50 -1.749 13.813 -7.736 379 HD23 LEU 50 2HD2 LEU 50 -1.426 15.515 -7.409 380 H GLU 51 H GLU 51 -2.095 15.961 -2.846 381 HA GLU 51 HA GLU 51 -4.639 15.617 -1.422 382 HB2 GLU 51 2HB GLU 51 -2.740 14.979 0.431 383 HB3 GLU 51 1HB GLU 51 -3.583 13.815 -0.580 384 HG2 GLU 51 2HG GLU 51 -1.763 13.811 -2.161 385 HG3 GLU 51 1HG GLU 51 -0.931 15.073 -1.253 Start of MODEL 13 1 H1 GLU 1 1HT GLU 1 -16.176 -3.354 4.046 2 H2 GLU 1 2HT GLU 1 -15.778 -4.997 4.087 3 H3 GLU 1 3HT GLU 1 -15.003 -3.968 2.995 4 HA GLU 1 HA GLU 1 -13.907 -2.810 4.713 5 HB2 GLU 1 2HB GLU 1 -14.149 -3.650 7.081 6 HB3 GLU 1 1HB GLU 1 -15.539 -2.789 6.442 7 HG2 GLU 1 2HG GLU 1 -16.629 -4.950 5.981 8 HG3 GLU 1 1HG GLU 1 -15.248 -5.771 6.709 9 H GLN 2 H GLN 2 -11.864 -3.402 4.932 10 HA GLN 2 HA GLN 2 -11.167 -6.236 5.166 11 HB2 GLN 2 2HB GLN 2 -10.144 -4.370 3.013 12 HB3 GLN 2 1HB GLN 2 -9.406 -5.917 3.401 13 HG2 GLN 2 2HG GLN 2 -11.532 -7.034 2.831 14 HG3 GLN 2 1HG GLN 2 -12.188 -5.470 2.353 15 HE21 GLN 2 1HE2 GLN 2 -12.503 -6.045 0.230 16 HE22 GLN 2 2HE2 GLN 2 -11.197 -6.305 -0.874 17 H VAL 3 H VAL 3 -8.885 -6.526 5.814 18 HA VAL 3 HA VAL 3 -8.192 -4.806 7.919 19 HB VAL 3 HB VAL 3 -5.979 -5.983 7.941 20 HG11 VAL 3 1HG1 VAL 3 -6.928 -8.193 8.517 21 HG12 VAL 3 2HG1 VAL 3 -8.462 -7.690 7.810 22 HG13 VAL 3 3HG1 VAL 3 -7.827 -6.851 9.223 23 HG21 VAL 3 3HG2 VAL 3 -7.105 -7.641 5.695 24 HG22 VAL 3 1HG2 VAL 3 -5.515 -7.773 6.439 25 HG23 VAL 3 2HG2 VAL 3 -5.917 -6.364 5.458 26 H VAL 4 H VAL 4 -7.222 -4.826 4.561 27 HA VAL 4 HA VAL 4 -5.057 -3.004 4.834 28 HB VAL 4 HB VAL 4 -5.310 -2.669 2.372 29 HG11 VAL 4 1HG1 VAL 4 -4.723 -5.009 1.770 30 HG12 VAL 4 2HG1 VAL 4 -5.190 -5.497 3.397 31 HG13 VAL 4 3HG1 VAL 4 -3.844 -4.388 3.164 32 HG21 VAL 4 3HG2 VAL 4 -7.544 -4.679 2.638 33 HG22 VAL 4 1HG2 VAL 4 -6.875 -4.058 1.127 34 HG23 VAL 4 2HG2 VAL 4 -7.736 -2.976 2.222 35 H ALA 5 H ALA 5 -8.499 -2.636 4.449 36 HA ALA 5 HA ALA 5 -8.350 0.176 3.807 37 HB1 ALA 5 3HB ALA 5 -10.814 0.084 3.902 38 HB2 ALA 5 1HB ALA 5 -10.711 -1.595 4.429 39 HB3 ALA 5 2HB ALA 5 -10.131 -1.137 2.828 40 H ILE 6 H ILE 6 -9.314 -1.815 6.576 41 HA ILE 6 HA ILE 6 -10.121 0.247 8.285 42 HB ILE 6 HB ILE 6 -8.873 -2.417 8.997 43 HG12 ILE 6 2HG1 ILE 6 -11.785 -1.606 9.012 44 HG13 ILE 6 1HG1 ILE 6 -11.018 -2.419 7.652 45 HG21 ILE 6 1HG2 ILE 6 -8.704 -0.859 10.860 46 HG22 ILE 6 2HG2 ILE 6 -9.901 -2.111 11.200 47 HG23 ILE 6 3HG2 ILE 6 -10.426 -0.493 10.728 48 HD11 ILE 6 3HD1 ILE 6 -11.291 -3.513 10.441 49 HD12 ILE 6 1HD1 ILE 6 -10.502 -4.323 9.087 50 HD13 ILE 6 2HD1 ILE 6 -12.233 -3.989 9.026 51 H ALA 7 H ALA 7 -6.925 -1.177 7.734 52 HA ALA 7 HA ALA 7 -5.545 0.221 9.741 53 HB1 ALA 7 3HB ALA 7 -3.521 -0.301 8.466 54 HB2 ALA 7 1HB ALA 7 -4.514 -0.774 7.088 55 HB3 ALA 7 2HB ALA 7 -4.588 -1.703 8.587 56 H SER 8 H SER 8 -6.108 0.996 6.320 57 HA SER 8 HA SER 8 -4.671 3.422 6.307 58 HB2 SER 8 2HB SER 8 -6.961 2.536 4.536 59 HB3 SER 8 1HB SER 8 -5.864 3.875 4.200 60 HG SER 8 HG SER 8 -5.322 1.835 3.166 61 H ASN 9 H ASN 9 -7.906 2.598 7.277 62 HA ASN 9 HA ASN 9 -9.024 5.197 7.237 63 HB2 ASN 9 2HB ASN 9 -10.434 3.210 7.356 64 HB3 ASN 9 1HB ASN 9 -9.745 2.781 8.918 65 HD21 ASN 9 1HD2 ASN 9 -11.662 2.848 10.016 66 HD22 ASN 9 2HD2 ASN 9 -12.530 4.311 10.316 67 H ILE 10 H ILE 10 -7.347 3.353 9.750 68 HA ILE 10 HA ILE 10 -7.628 5.490 11.678 69 HB ILE 10 HB ILE 10 -5.902 3.020 11.899 70 HG12 ILE 10 2HG1 ILE 10 -8.752 3.397 12.855 71 HG13 ILE 10 1HG1 ILE 10 -8.300 2.483 11.421 72 HG21 ILE 10 1HG2 ILE 10 -6.202 3.404 14.330 73 HG22 ILE 10 2HG2 ILE 10 -7.041 4.908 13.956 74 HG23 ILE 10 3HG2 ILE 10 -5.344 4.715 13.520 75 HD11 ILE 10 3HD1 ILE 10 -7.478 1.839 14.242 76 HD12 ILE 10 1HD1 ILE 10 -7.058 0.914 12.801 77 HD13 ILE 10 2HD1 ILE 10 -8.742 1.028 13.317 78 H GLY 11 H GLY 11 -5.184 4.273 9.473 79 HA2 GLY 11 2HA GLY 11 -3.026 5.821 10.561 80 HA3 GLY 11 1HA GLY 11 -3.027 4.972 9.024 81 H GLY 12 H GLY 12 -4.653 6.052 7.396 82 HA2 GLY 12 2HA GLY 12 -5.618 8.285 6.867 83 HA3 GLY 12 1HA GLY 12 -4.126 8.954 7.507 84 H LYS 13 H LYS 13 -2.591 6.697 6.217 85 HA LYS 13 HA LYS 13 -2.537 7.908 3.532 86 HB2 LYS 13 2HB LYS 13 -0.338 6.350 4.899 87 HB3 LYS 13 1HB LYS 13 -0.220 7.228 3.382 88 HG2 LYS 13 2HG LYS 13 0.697 8.806 4.699 89 HG3 LYS 13 1HG LYS 13 -0.991 9.230 4.990 90 HD2 LYS 13 2HD LYS 13 0.042 9.126 7.116 91 HD3 LYS 13 1HD LYS 13 -0.914 7.649 6.962 92 HE2 LYS 13 2HE LYS 13 1.461 6.841 5.938 93 HE3 LYS 13 1HE LYS 13 1.998 8.019 7.136 94 HZ1 LYS 13 3HZ LYS 13 1.893 5.992 8.252 95 HZ2 LYS 13 1HZ LYS 13 0.405 5.563 7.569 96 HZ3 LYS 13 2HZ LYS 13 0.487 6.799 8.722 97 H GLN 14 H GLN 14 -3.795 6.712 2.268 98 HA GLN 14 HA GLN 14 -4.390 4.002 2.539 99 HB2 GLN 14 2HB GLN 14 -4.363 5.555 -0.052 100 HB3 GLN 14 1HB GLN 14 -5.310 4.119 0.307 101 HG2 GLN 14 2HG GLN 14 -5.646 6.683 1.830 102 HG3 GLN 14 1HG GLN 14 -6.511 6.357 0.331 103 HE21 GLN 14 1HE2 GLN 14 -7.536 6.777 3.014 104 HE22 GLN 14 2HE2 GLN 14 -8.443 5.361 3.415 105 H ALA 15 H ALA 15 -1.996 5.578 0.442 106 HA ALA 15 HA ALA 15 -1.066 3.101 -0.650 107 HB1 ALA 15 3HB ALA 15 0.617 4.459 -1.780 108 HB2 ALA 15 1HB ALA 15 0.134 5.855 -0.820 109 HB3 ALA 15 2HB ALA 15 -0.999 5.136 -1.961 110 H LEU 16 H LEU 16 -0.656 4.113 2.399 111 HA LEU 16 HA LEU 16 2.075 3.008 2.499 112 HB2 LEU 16 2HB LEU 16 1.153 5.520 3.458 113 HB3 LEU 16 1HB LEU 16 1.584 4.531 4.842 114 HG LEU 16 HG LEU 16 3.382 5.257 2.525 115 HD11 LEU 16 1HD1 LEU 16 3.530 5.971 5.444 116 HD12 LEU 16 2HD1 LEU 16 2.980 7.043 4.157 117 HD13 LEU 16 3HD1 LEU 16 4.648 6.473 4.177 118 HD21 LEU 16 3HD2 LEU 16 5.141 4.133 3.943 119 HD22 LEU 16 1HD2 LEU 16 3.994 3.055 3.152 120 HD23 LEU 16 2HD2 LEU 16 3.822 3.420 4.866 121 H GLU 17 H GLU 17 -1.052 3.245 4.104 122 HA GLU 17 HA GLU 17 -0.351 1.360 6.144 123 HB2 GLU 17 2HB GLU 17 -2.782 2.835 5.311 124 HB3 GLU 17 1HB GLU 17 -3.044 1.325 6.172 125 HG2 GLU 17 2HG GLU 17 -3.059 3.135 7.735 126 HG3 GLU 17 1HG GLU 17 -1.620 2.154 8.001 127 H THR 18 H THR 18 -2.104 1.247 3.086 128 HA THR 18 HA THR 18 -2.879 -1.467 3.256 129 HB THR 18 HB THR 18 -2.516 0.301 0.832 130 HG1 THR 18 HG1 THR 18 -4.382 0.184 2.813 131 HG21 THR 18 3HG2 THR 18 -4.418 -1.975 0.863 132 HG22 THR 18 1HG2 THR 18 -2.709 -2.343 0.647 133 HG23 THR 18 2HG2 THR 18 -3.529 -1.265 -0.481 134 H VAL 19 H VAL 19 -0.020 0.137 1.895 135 HA VAL 19 HA VAL 19 0.994 -2.161 0.599 136 HB VAL 19 HB VAL 19 1.701 0.216 0.120 137 HG11 VAL 19 1HG1 VAL 19 2.149 0.904 2.433 138 HG12 VAL 19 2HG1 VAL 19 3.536 1.167 1.378 139 HG13 VAL 19 3HG1 VAL 19 3.517 -0.205 2.488 140 HG21 VAL 19 3HG2 VAL 19 4.017 -0.426 -0.449 141 HG22 VAL 19 1HG2 VAL 19 2.833 -1.661 -0.884 142 HG23 VAL 19 2HG2 VAL 19 3.835 -1.868 0.553 143 H GLN 20 H GLN 20 1.320 -0.940 3.881 144 HA GLN 20 HA GLN 20 3.437 -2.687 4.634 145 HB2 GLN 20 2HB GLN 20 3.058 -0.726 5.968 146 HB3 GLN 20 1HB GLN 20 1.382 -1.179 6.252 147 HG2 GLN 20 2HG GLN 20 2.133 -3.117 7.548 148 HG3 GLN 20 1HG GLN 20 3.807 -2.633 7.283 149 HE21 GLN 20 1HE2 GLN 20 4.115 -2.501 9.521 150 HE22 GLN 20 2HE2 GLN 20 3.527 -1.157 10.436 151 H ARG 21 H ARG 21 -0.049 -2.925 4.602 152 HA ARG 21 HA ARG 21 -0.155 -5.343 6.129 153 HB2 ARG 21 2HB ARG 21 -2.009 -3.709 6.052 154 HB3 ARG 21 1HB ARG 21 -2.258 -4.099 4.356 155 HG2 ARG 21 2HG ARG 21 -3.887 -5.251 5.702 156 HG3 ARG 21 1HG ARG 21 -2.777 -6.423 4.992 157 HD2 ARG 21 2HD ARG 21 -2.035 -5.386 7.650 158 HD3 ARG 21 1HD ARG 21 -3.476 -6.397 7.596 159 HE ARG 21 HE ARG 21 -1.192 -7.509 6.231 160 HH11 ARG 21 1HH1 ARG 21 -2.883 -7.209 9.279 161 HH12 ARG 21 2HH1 ARG 21 -2.230 -8.675 9.938 162 HH21 ARG 21 1HH2 ARG 21 -0.316 -9.441 7.094 163 HH22 ARG 21 2HH2 ARG 21 -0.778 -9.951 8.690 164 H LEU 22 H LEU 22 -0.071 -4.544 2.695 165 HA LEU 22 HA LEU 22 -0.557 -7.312 1.955 166 HB2 LEU 22 2HB LEU 22 -0.295 -4.746 0.468 167 HB3 LEU 22 1HB LEU 22 -0.028 -6.248 -0.393 168 HG LEU 22 HG LEU 22 -2.554 -5.550 1.111 169 HD11 LEU 22 1HD1 LEU 22 -1.969 -5.543 -1.848 170 HD12 LEU 22 2HD1 LEU 22 -2.295 -4.134 -0.843 171 HD13 LEU 22 3HD1 LEU 22 -3.559 -5.330 -1.119 172 HD21 LEU 22 3HD2 LEU 22 -1.803 -7.889 -0.634 173 HD22 LEU 22 1HD2 LEU 22 -3.457 -7.507 -0.153 174 HD23 LEU 22 2HD2 LEU 22 -2.256 -7.920 1.070 175 H LEU 23 H LEU 23 2.142 -5.370 2.649 176 HA LEU 23 HA LEU 23 4.085 -6.327 0.922 177 HB2 LEU 23 2HB LEU 23 4.469 -4.462 2.435 178 HB3 LEU 23 1HB LEU 23 4.384 -5.531 3.818 179 HG LEU 23 HG LEU 23 6.404 -6.734 2.834 180 HD11 LEU 23 1HD1 LEU 23 7.801 -5.421 1.326 181 HD12 LEU 23 2HD1 LEU 23 6.535 -4.202 1.202 182 HD13 LEU 23 3HD1 LEU 23 6.259 -5.827 0.577 183 HD21 LEU 23 3HD2 LEU 23 6.639 -3.879 3.766 184 HD22 LEU 23 1HD2 LEU 23 7.960 -5.048 3.729 185 HD23 LEU 23 2HD2 LEU 23 6.571 -5.320 4.778 186 HA PRO 24 HA PRO 24 5.100 -9.947 4.003 187 HB2 PRO 24 2HB PRO 24 3.138 -10.644 5.771 188 HB3 PRO 24 1HB PRO 24 4.457 -9.536 6.160 189 HG2 PRO 24 2HG PRO 24 1.647 -8.914 5.339 190 HG3 PRO 24 1HG PRO 24 2.625 -8.182 6.626 191 HD2 PRO 24 2HD PRO 24 2.297 -6.975 4.255 192 HD3 PRO 24 1HD PRO 24 3.829 -6.880 5.144 193 H VAL 25 H VAL 25 2.324 -9.325 2.231 194 HA VAL 25 HA VAL 25 1.504 -12.131 2.069 195 HB VAL 25 HB VAL 25 0.297 -9.689 0.745 196 HG11 VAL 25 1HG1 VAL 25 -1.622 -11.147 0.293 197 HG12 VAL 25 2HG1 VAL 25 -0.734 -12.516 0.968 198 HG13 VAL 25 3HG1 VAL 25 -0.157 -11.727 -0.501 199 HG21 VAL 25 3HG2 VAL 25 0.086 -9.608 3.174 200 HG22 VAL 25 1HG2 VAL 25 -0.611 -11.229 3.173 201 HG23 VAL 25 2HG2 VAL 25 -1.480 -9.897 2.412 202 H LEU 26 H LEU 26 2.405 -9.466 -0.124 203 HA LEU 26 HA LEU 26 2.733 -11.181 -2.369 204 HB2 LEU 26 2HB LEU 26 3.068 -8.326 -1.786 205 HB3 LEU 26 1HB LEU 26 4.164 -8.944 -3.005 206 HG LEU 26 HG LEU 26 2.205 -8.012 -4.067 207 HD11 LEU 26 1HD1 LEU 26 1.603 -9.820 -5.481 208 HD12 LEU 26 2HD1 LEU 26 1.980 -11.007 -4.232 209 HD13 LEU 26 3HD1 LEU 26 3.278 -10.081 -4.988 210 HD21 LEU 26 3HD2 LEU 26 0.618 -8.203 -2.253 211 HD22 LEU 26 1HD2 LEU 26 0.623 -9.962 -2.400 212 HD23 LEU 26 2HD2 LEU 26 -0.027 -8.970 -3.703 213 H CYS 27 H CYS 27 4.906 -9.931 0.104 214 HA CYS 27 HA CYS 27 7.277 -10.794 -1.239 215 HB2 CYS 27 2HB CYS 27 8.467 -10.141 0.694 216 HB3 CYS 27 1HB CYS 27 7.130 -9.004 0.578 217 HG CYS 27 HG CYS 27 6.832 -9.288 3.134 218 H GLN 28 H GLN 28 4.880 -12.359 0.618 219 HA GLN 28 HA GLN 28 6.584 -14.571 1.391 220 HB2 GLN 28 2HB GLN 28 4.582 -13.658 2.728 221 HB3 GLN 28 1HB GLN 28 3.583 -14.527 1.571 222 HG2 GLN 28 2HG GLN 28 3.941 -15.838 3.591 223 HG3 GLN 28 1HG GLN 28 4.657 -16.618 2.181 224 HE21 GLN 28 1HE2 GLN 28 6.081 -17.814 3.414 225 HE22 GLN 28 2HE2 GLN 28 7.458 -17.103 4.188 226 H ALA 29 H ALA 29 3.895 -13.971 -0.839 227 HA ALA 29 HA ALA 29 3.920 -16.617 -1.907 228 HB1 ALA 29 3HB ALA 29 2.337 -15.777 -3.535 229 HB2 ALA 29 1HB ALA 29 2.713 -14.115 -3.077 230 HB3 ALA 29 2HB ALA 29 1.917 -15.188 -1.925 231 H HIS 30 H HIS 30 5.327 -13.532 -2.882 232 HA HIS 30 HA HIS 30 6.756 -14.967 -5.022 233 HB2 HIS 30 2HB HIS 30 5.681 -12.162 -4.931 234 HB3 HIS 30 1HB HIS 30 7.005 -12.580 -6.010 235 HD1 HIS 30 HD1 HIS 30 6.317 -13.386 -8.253 236 HD2 HIS 30 HD2 HIS 30 3.310 -13.888 -5.429 237 HE1 HIS 30 HE1 HIS 30 4.334 -14.262 -9.527 238 HE2 HIS 30 HE2 HIS 30 2.571 -14.687 -7.777 239 H GLY 31 H GLY 31 7.231 -11.833 -3.376 240 HA2 GLY 31 2HA GLY 31 9.032 -11.673 -1.698 241 HA3 GLY 31 1HA GLY 31 9.967 -12.748 -2.722 242 H LEU 32 H LEU 32 8.860 -11.221 -5.109 243 HA LEU 32 HA LEU 32 11.044 -9.497 -5.509 244 HB2 LEU 32 2HB LEU 32 9.721 -10.590 -7.304 245 HB3 LEU 32 1HB LEU 32 8.393 -9.505 -6.956 246 HG LEU 32 HG LEU 32 10.044 -7.609 -7.499 247 HD11 LEU 32 1HD1 LEU 32 12.077 -8.965 -7.448 248 HD12 LEU 32 2HD1 LEU 32 11.850 -8.208 -9.022 249 HD13 LEU 32 3HD1 LEU 32 11.475 -9.915 -8.806 250 HD21 LEU 32 3HD2 LEU 32 8.159 -8.190 -8.925 251 HD22 LEU 32 1HD2 LEU 32 9.097 -9.493 -9.657 252 HD23 LEU 32 2HD2 LEU 32 9.580 -7.815 -9.904 253 H THR 33 H THR 33 8.166 -9.011 -3.806 254 HA THR 33 HA THR 33 7.046 -7.248 -2.948 255 HB THR 33 HB THR 33 8.511 -5.366 -2.075 256 HG1 THR 33 HG1 THR 33 10.225 -6.307 -3.803 257 HG21 THR 33 3HG2 THR 33 7.903 -7.274 -0.696 258 HG22 THR 33 1HG2 THR 33 9.563 -6.785 -0.367 259 HG23 THR 33 2HG2 THR 33 9.245 -8.206 -1.360 260 HA PRO 34 HA PRO 34 7.022 -4.722 -6.829 261 HB2 PRO 34 2HB PRO 34 4.774 -5.639 -7.948 262 HB3 PRO 34 1HB PRO 34 6.301 -6.513 -8.111 263 HG2 PRO 34 2HG PRO 34 3.972 -7.081 -6.341 264 HG3 PRO 34 1HG PRO 34 5.033 -8.210 -7.196 265 HD2 PRO 34 2HD PRO 34 5.229 -7.523 -4.500 266 HD3 PRO 34 1HD PRO 34 6.509 -8.282 -5.466 267 H GLU 35 H GLU 35 5.032 -5.240 -4.151 268 HA GLU 35 HA GLU 35 2.856 -3.515 -4.682 269 HB2 GLU 35 2HB GLU 35 3.687 -3.575 -1.877 270 HB3 GLU 35 1HB GLU 35 2.166 -4.064 -2.600 271 HG2 GLU 35 2HG GLU 35 2.967 -6.007 -1.631 272 HG3 GLU 35 1HG GLU 35 3.416 -6.178 -3.328 273 H GLN 36 H GLN 36 5.759 -3.030 -2.691 274 HA GLN 36 HA GLN 36 5.391 -0.273 -2.298 275 HB2 GLN 36 2HB GLN 36 7.892 -0.294 -1.796 276 HB3 GLN 36 1HB GLN 36 6.877 -1.356 -0.829 277 HG2 GLN 36 2HG GLN 36 8.148 -3.069 -1.389 278 HG3 GLN 36 1HG GLN 36 7.712 -2.833 -3.081 279 HE21 GLN 36 1HE2 GLN 36 9.702 -3.437 -3.850 280 HE22 GLN 36 2HE2 GLN 36 11.118 -2.456 -3.661 281 H VAL 37 H VAL 37 6.752 -2.047 -4.949 282 HA VAL 37 HA VAL 37 8.233 0.024 -6.157 283 HB VAL 37 HB VAL 37 6.934 -2.410 -7.396 284 HG11 VAL 37 1HG1 VAL 37 7.345 -0.707 -9.097 285 HG12 VAL 37 2HG1 VAL 37 8.450 -2.067 -9.285 286 HG13 VAL 37 3HG1 VAL 37 9.017 -0.565 -8.560 287 HG21 VAL 37 3HG2 VAL 37 8.605 -2.946 -5.709 288 HG22 VAL 37 1HG2 VAL 37 9.771 -1.890 -6.510 289 HG23 VAL 37 2HG2 VAL 37 9.199 -3.348 -7.320 290 H VAL 38 H VAL 38 4.840 -0.986 -6.506 291 HA VAL 38 HA VAL 38 4.442 1.197 -8.412 292 HB VAL 38 HB VAL 38 3.555 -0.932 -9.119 293 HG11 VAL 38 1HG1 VAL 38 3.159 -1.986 -6.980 294 HG12 VAL 38 2HG1 VAL 38 1.689 -2.015 -7.953 295 HG13 VAL 38 3HG1 VAL 38 1.852 -0.852 -6.636 296 HG21 VAL 38 3HG2 VAL 38 1.233 -0.282 -9.588 297 HG22 VAL 38 1HG2 VAL 38 2.365 1.044 -9.849 298 HG23 VAL 38 2HG2 VAL 38 1.367 1.009 -8.395 299 H ALA 39 H ALA 39 3.231 0.110 -5.253 300 HA ALA 39 HA ALA 39 1.230 2.072 -4.977 301 HB1 ALA 39 3HB ALA 39 1.322 0.067 -3.582 302 HB2 ALA 39 1HB ALA 39 1.249 1.535 -2.608 303 HB3 ALA 39 2HB ALA 39 2.780 0.681 -2.798 304 H ILE 40 H ILE 40 4.546 2.024 -3.639 305 HA ILE 40 HA ILE 40 4.370 4.604 -2.515 306 HB ILE 40 HB ILE 40 6.846 3.090 -3.354 307 HG12 ILE 40 2HG1 ILE 40 5.495 1.840 -1.746 308 HG13 ILE 40 1HG1 ILE 40 6.967 2.428 -0.984 309 HG21 ILE 40 1HG2 ILE 40 8.055 4.525 -1.814 310 HG22 ILE 40 2HG2 ILE 40 6.569 5.391 -1.425 311 HG23 ILE 40 3HG2 ILE 40 7.250 5.494 -3.048 312 HD11 ILE 40 3HD1 ILE 40 4.169 3.464 -0.652 313 HD12 ILE 40 1HD1 ILE 40 5.594 4.340 -0.093 314 HD13 ILE 40 2HD1 ILE 40 5.223 2.747 0.566 315 H ALA 41 H ALA 41 5.457 3.455 -5.677 316 HA ALA 41 HA ALA 41 6.510 5.913 -6.586 317 HB1 ALA 41 3HB ALA 41 7.023 3.780 -7.667 318 HB2 ALA 41 1HB ALA 41 6.385 4.955 -8.818 319 HB3 ALA 41 2HB ALA 41 5.351 3.659 -8.217 320 H SER 42 H SER 42 3.257 4.626 -6.477 321 HA SER 42 HA SER 42 2.181 6.667 -8.201 322 HB2 SER 42 2HB SER 42 0.765 4.719 -6.364 323 HB3 SER 42 1HB SER 42 -0.008 5.716 -7.599 324 HG SER 42 HG SER 42 1.793 3.552 -7.932 325 H HIS 43 H HIS 43 2.996 6.410 -4.896 326 HA HIS 43 HA HIS 43 1.203 8.581 -4.116 327 HB2 HIS 43 2HB HIS 43 1.436 6.604 -2.631 328 HB3 HIS 43 1HB HIS 43 3.139 6.993 -2.420 329 HD1 HIS 43 HD1 HIS 43 -0.293 8.388 -1.614 330 HD2 HIS 43 HD2 HIS 43 3.679 8.859 -0.478 331 HE1 HIS 43 HE1 HIS 43 -0.340 9.865 0.415 332 HE2 HIS 43 HE2 HIS 43 2.076 10.272 0.976 333 H ASP 44 H ASP 44 4.672 7.831 -3.708 334 HA ASP 44 HA ASP 44 5.285 10.616 -3.259 335 HB2 ASP 44 2HB ASP 44 6.946 8.103 -3.368 336 HB3 ASP 44 1HB ASP 44 7.683 9.699 -3.250 337 H GLY 45 H GLY 45 4.515 9.087 -5.967 338 HA2 GLY 45 2HA GLY 45 6.236 10.837 -7.588 339 HA3 GLY 45 1HA GLY 45 6.038 9.142 -8.028 340 H GLY 46 H GLY 46 3.372 10.779 -6.600 341 HA2 GLY 46 2HA GLY 46 2.167 11.747 -8.999 342 HA3 GLY 46 1HA GLY 46 1.539 10.162 -8.566 343 H LYS 47 H LYS 47 0.562 9.901 -6.471 344 HA LYS 47 HA LYS 47 -1.100 12.154 -5.800 345 HB2 LYS 47 2HB LYS 47 -1.881 9.754 -5.858 346 HB3 LYS 47 1HB LYS 47 -0.936 9.472 -4.405 347 HG2 LYS 47 2HG LYS 47 -3.095 9.814 -3.608 348 HG3 LYS 47 1HG LYS 47 -2.311 11.375 -3.369 349 HD2 LYS 47 2HD LYS 47 -4.419 11.880 -4.277 350 HD3 LYS 47 1HD LYS 47 -3.292 12.032 -5.625 351 HE2 LYS 47 2HE LYS 47 -3.974 9.980 -6.562 352 HE3 LYS 47 1HE LYS 47 -4.801 9.489 -5.085 353 HZ1 LYS 47 3HZ LYS 47 -6.501 11.063 -5.467 354 HZ2 LYS 47 1HZ LYS 47 -6.270 10.261 -6.934 355 HZ3 LYS 47 2HZ LYS 47 -5.647 11.816 -6.714 356 H GLN 48 H GLN 48 1.140 13.223 -5.307 357 HA GLN 48 HA GLN 48 1.659 12.957 -2.415 358 HB2 GLN 48 2HB GLN 48 3.913 13.935 -2.917 359 HB3 GLN 48 1HB GLN 48 3.651 12.343 -3.614 360 HG2 GLN 48 2HG GLN 48 3.138 13.410 -5.779 361 HG3 GLN 48 1HG GLN 48 3.505 14.975 -5.062 362 HE21 GLN 48 1HE2 GLN 48 5.701 13.919 -3.459 363 HE22 GLN 48 2HE2 GLN 48 7.008 13.662 -4.559 364 H ALA 49 H ALA 49 1.180 15.131 -5.122 365 HA ALA 49 HA ALA 49 0.936 17.378 -3.245 366 HB1 ALA 49 3HB ALA 49 1.244 18.828 -5.228 367 HB2 ALA 49 1HB ALA 49 1.471 17.383 -6.213 368 HB3 ALA 49 2HB ALA 49 2.621 17.764 -4.932 369 H LEU 50 H LEU 50 -0.945 15.152 -4.461 370 HA LEU 50 HA LEU 50 -3.133 16.966 -5.212 371 HB2 LEU 50 2HB LEU 50 -2.622 14.059 -5.808 372 HB3 LEU 50 1HB LEU 50 -4.210 14.768 -6.005 373 HG LEU 50 HG LEU 50 -3.285 14.772 -8.156 374 HD11 LEU 50 1HD1 LEU 50 -3.113 17.059 -8.768 375 HD12 LEU 50 2HD1 LEU 50 -2.616 17.519 -7.139 376 HD13 LEU 50 3HD1 LEU 50 -4.260 16.949 -7.433 377 HD21 LEU 50 3HD2 LEU 50 -1.041 15.613 -8.682 378 HD22 LEU 50 1HD2 LEU 50 -0.997 14.233 -7.583 379 HD23 LEU 50 2HD2 LEU 50 -0.745 15.866 -6.963 380 H GLU 51 H GLU 51 -1.970 15.821 -2.524 381 HA GLU 51 HA GLU 51 -4.589 15.481 -1.307 382 HB2 GLU 51 2HB GLU 51 -3.677 13.575 0.093 383 HB3 GLU 51 1HB GLU 51 -4.022 13.190 -1.587 384 HG2 GLU 51 2HG GLU 51 -1.853 12.819 -2.089 385 HG3 GLU 51 1HG GLU 51 -1.269 14.058 -0.981 Start of MODEL 14 1 H1 GLU 1 1HT GLU 1 -15.948 -2.926 3.859 2 H2 GLU 1 2HT GLU 1 -15.491 -3.962 5.119 3 H3 GLU 1 3HT GLU 1 -15.166 -4.389 3.517 4 HA GLU 1 HA GLU 1 -13.680 -2.508 3.295 5 HB2 GLU 1 2HB GLU 1 -13.957 -2.189 6.283 6 HB3 GLU 1 1HB GLU 1 -13.086 -1.155 5.163 7 HG2 GLU 1 2HG GLU 1 -16.048 -1.405 5.549 8 HG3 GLU 1 1HG GLU 1 -15.029 0.019 5.738 9 H GLN 2 H GLN 2 -11.838 -3.488 2.978 10 HA GLN 2 HA GLN 2 -11.129 -5.839 4.487 11 HB2 GLN 2 2HB GLN 2 -9.218 -5.949 2.869 12 HB3 GLN 2 1HB GLN 2 -10.808 -5.942 2.119 13 HG2 GLN 2 2HG GLN 2 -9.293 -3.388 2.445 14 HG3 GLN 2 1HG GLN 2 -8.892 -4.496 1.138 15 HE21 GLN 2 1HE2 GLN 2 -10.366 -4.821 -0.524 16 HE22 GLN 2 2HE2 GLN 2 -11.702 -3.754 -0.790 17 H VAL 3 H VAL 3 -8.790 -6.117 5.156 18 HA VAL 3 HA VAL 3 -8.182 -4.430 7.260 19 HB VAL 3 HB VAL 3 -5.812 -5.439 7.073 20 HG11 VAL 3 1HG1 VAL 3 -6.641 -7.633 7.907 21 HG12 VAL 3 2HG1 VAL 3 -8.270 -7.144 7.441 22 HG13 VAL 3 3HG1 VAL 3 -7.399 -6.241 8.678 23 HG21 VAL 3 3HG2 VAL 3 -5.933 -6.017 4.693 24 HG22 VAL 3 1HG2 VAL 3 -7.241 -7.147 5.038 25 HG23 VAL 3 2HG2 VAL 3 -5.631 -7.438 5.692 26 H VAL 4 H VAL 4 -6.853 -4.333 3.968 27 HA VAL 4 HA VAL 4 -4.928 -2.340 4.532 28 HB VAL 4 HB VAL 4 -4.704 -2.027 2.134 29 HG11 VAL 4 1HG1 VAL 4 -5.042 -4.918 2.917 30 HG12 VAL 4 2HG1 VAL 4 -3.588 -3.937 3.092 31 HG13 VAL 4 3HG1 VAL 4 -4.184 -4.348 1.484 32 HG21 VAL 4 3HG2 VAL 4 -7.096 -3.841 1.841 33 HG22 VAL 4 1HG2 VAL 4 -6.126 -3.164 0.533 34 HG23 VAL 4 2HG2 VAL 4 -7.094 -2.101 1.553 35 H ALA 5 H ALA 5 -8.320 -2.159 4.120 36 HA ALA 5 HA ALA 5 -8.258 0.671 3.414 37 HB1 ALA 5 3HB ALA 5 -10.692 0.481 3.275 38 HB2 ALA 5 1HB ALA 5 -10.596 -1.180 3.861 39 HB3 ALA 5 2HB ALA 5 -9.895 -0.753 2.299 40 H ILE 6 H ILE 6 -8.998 -1.447 6.118 41 HA ILE 6 HA ILE 6 -10.095 0.606 7.776 42 HB ILE 6 HB ILE 6 -8.971 -2.095 8.535 43 HG12 ILE 6 2HG1 ILE 6 -11.827 -1.171 8.128 44 HG13 ILE 6 1HG1 ILE 6 -10.916 -2.204 7.032 45 HG21 ILE 6 1HG2 ILE 6 -8.955 -0.535 10.425 46 HG22 ILE 6 2HG2 ILE 6 -10.150 -1.812 10.650 47 HG23 ILE 6 3HG2 ILE 6 -10.666 -0.200 10.161 48 HD11 ILE 6 3HD1 ILE 6 -11.605 -2.907 9.870 49 HD12 ILE 6 1HD1 ILE 6 -10.826 -3.947 8.677 50 HD13 ILE 6 2HD1 ILE 6 -12.499 -3.436 8.443 51 H ALA 7 H ALA 7 -6.927 -0.961 7.522 52 HA ALA 7 HA ALA 7 -5.690 0.362 9.661 53 HB1 ALA 7 3HB ALA 7 -3.578 -0.293 8.634 54 HB2 ALA 7 1HB ALA 7 -4.418 -0.680 7.134 55 HB3 ALA 7 2HB ALA 7 -4.737 -1.620 8.589 56 H SER 8 H SER 8 -6.087 1.290 6.276 57 HA SER 8 HA SER 8 -4.398 3.590 6.493 58 HB2 SER 8 2HB SER 8 -5.532 4.163 4.259 59 HB3 SER 8 1HB SER 8 -4.535 2.708 4.323 60 HG SER 8 HG SER 8 -6.240 1.527 3.968 61 H ASN 9 H ASN 9 -7.809 2.937 6.874 62 HA ASN 9 HA ASN 9 -8.762 5.580 6.749 63 HB2 ASN 9 2HB ASN 9 -10.186 3.511 6.718 64 HB3 ASN 9 1HB ASN 9 -9.896 3.347 8.447 65 HD21 ASN 9 1HD2 ASN 9 -11.955 3.633 9.112 66 HD22 ASN 9 2HD2 ASN 9 -12.825 5.119 8.945 67 H ILE 10 H ILE 10 -7.335 3.710 9.340 68 HA ILE 10 HA ILE 10 -7.797 5.809 11.294 69 HB ILE 10 HB ILE 10 -6.180 3.274 11.612 70 HG12 ILE 10 2HG1 ILE 10 -8.483 2.719 11.021 71 HG13 ILE 10 1HG1 ILE 10 -8.175 2.332 12.711 72 HG21 ILE 10 1HG2 ILE 10 -6.491 3.627 13.999 73 HG22 ILE 10 2HG2 ILE 10 -7.382 5.114 13.674 74 HG23 ILE 10 3HG2 ILE 10 -5.673 5.000 13.258 75 HD11 ILE 10 3HD1 ILE 10 -9.648 4.741 11.671 76 HD12 ILE 10 1HD1 ILE 10 -9.312 4.407 13.369 77 HD13 ILE 10 2HD1 ILE 10 -10.359 3.328 12.447 78 H GLY 11 H GLY 11 -5.090 4.359 9.536 79 HA2 GLY 11 2HA GLY 11 -3.045 5.861 10.786 80 HA3 GLY 11 1HA GLY 11 -2.916 5.030 9.244 81 H GLY 12 H GLY 12 -4.814 6.385 7.747 82 HA2 GLY 12 2HA GLY 12 -5.378 8.605 7.031 83 HA3 GLY 12 1HA GLY 12 -3.949 9.197 7.868 84 H LYS 13 H LYS 13 -2.805 6.547 6.507 85 HA LYS 13 HA LYS 13 -2.159 7.874 3.958 86 HB2 LYS 13 2HB LYS 13 -0.302 5.960 5.355 87 HB3 LYS 13 1HB LYS 13 0.076 7.151 4.118 88 HG2 LYS 13 2HG LYS 13 -0.267 8.954 5.695 89 HG3 LYS 13 1HG LYS 13 -0.754 7.800 6.937 90 HD2 LYS 13 2HD LYS 13 1.963 7.950 5.631 91 HD3 LYS 13 1HD LYS 13 1.560 8.548 7.240 92 HE2 LYS 13 2HE LYS 13 1.502 5.685 6.293 93 HE3 LYS 13 1HE LYS 13 2.636 6.401 7.434 94 HZ1 LYS 13 3HZ LYS 13 1.067 5.253 8.714 95 HZ2 LYS 13 1HZ LYS 13 -0.246 5.843 7.828 96 HZ3 LYS 13 2HZ LYS 13 0.624 6.876 8.851 97 H GLN 14 H GLN 14 -3.529 6.819 2.613 98 HA GLN 14 HA GLN 14 -4.289 4.121 2.867 99 HB2 GLN 14 2HB GLN 14 -4.419 5.984 0.505 100 HB3 GLN 14 1HB GLN 14 -5.141 4.380 0.529 101 HG2 GLN 14 2HG GLN 14 -6.041 5.679 2.846 102 HG3 GLN 14 1HG GLN 14 -6.167 6.853 1.537 103 HE21 GLN 14 1HE2 GLN 14 -7.318 3.829 2.800 104 HE22 GLN 14 2HE2 GLN 14 -8.648 3.654 1.703 105 H ALA 15 H ALA 15 -1.964 5.632 0.624 106 HA ALA 15 HA ALA 15 -1.265 3.153 -0.583 107 HB1 ALA 15 3HB ALA 15 0.324 5.706 -0.562 108 HB2 ALA 15 1HB ALA 15 -0.981 5.334 -1.687 109 HB3 ALA 15 2HB ALA 15 0.490 4.362 -1.691 110 H LEU 16 H LEU 16 -0.006 4.882 2.207 111 HA LEU 16 HA LEU 16 2.359 3.240 2.321 112 HB2 LEU 16 2HB LEU 16 1.328 5.563 3.767 113 HB3 LEU 16 1HB LEU 16 2.219 4.434 4.771 114 HG LEU 16 HG LEU 16 3.325 5.557 2.201 115 HD11 LEU 16 1HD1 LEU 16 3.655 6.574 5.018 116 HD12 LEU 16 2HD1 LEU 16 2.928 7.429 3.658 117 HD13 LEU 16 3HD1 LEU 16 4.654 7.065 3.652 118 HD21 LEU 16 3HD2 LEU 16 5.466 4.851 3.170 119 HD22 LEU 16 1HD2 LEU 16 4.362 3.493 2.961 120 HD23 LEU 16 2HD2 LEU 16 4.611 4.188 4.561 121 H GLU 17 H GLU 17 -0.738 3.361 4.043 122 HA GLU 17 HA GLU 17 -0.030 1.307 5.877 123 HB2 GLU 17 2HB GLU 17 -2.467 2.792 5.176 124 HB3 GLU 17 1HB GLU 17 -2.758 1.151 5.730 125 HG2 GLU 17 2HG GLU 17 -2.885 2.672 7.585 126 HG3 GLU 17 1HG GLU 17 -1.481 1.626 7.770 127 H THR 18 H THR 18 -1.485 1.364 2.685 128 HA THR 18 HA THR 18 -2.202 -1.391 2.697 129 HB THR 18 HB THR 18 -3.045 0.604 1.174 130 HG1 THR 18 HG1 THR 18 -2.865 -1.876 -0.132 131 HG21 THR 18 3HG2 THR 18 -0.987 -0.713 -0.602 132 HG22 THR 18 1HG2 THR 18 -0.903 0.943 0.006 133 HG23 THR 18 2HG2 THR 18 -2.189 0.473 -1.102 134 H VAL 19 H VAL 19 0.695 0.388 1.710 135 HA VAL 19 HA VAL 19 1.844 -1.855 0.360 136 HB VAL 19 HB VAL 19 2.491 0.554 -0.065 137 HG11 VAL 19 1HG1 VAL 19 4.200 1.568 1.308 138 HG12 VAL 19 2HG1 VAL 19 4.183 0.182 2.400 139 HG13 VAL 19 3HG1 VAL 19 2.768 1.230 2.283 140 HG21 VAL 19 3HG2 VAL 19 3.762 -1.281 -0.993 141 HG22 VAL 19 1HG2 VAL 19 4.689 -1.427 0.500 142 HG23 VAL 19 2HG2 VAL 19 4.849 0.018 -0.499 143 H GLN 20 H GLN 20 1.809 -0.697 3.642 144 HA GLN 20 HA GLN 20 3.958 -2.394 4.521 145 HB2 GLN 20 2HB GLN 20 3.343 -0.216 5.611 146 HB3 GLN 20 1HB GLN 20 1.873 -0.983 6.196 147 HG2 GLN 20 2HG GLN 20 3.425 -1.019 7.980 148 HG3 GLN 20 1HG GLN 20 3.327 -2.663 7.355 149 HE21 GLN 20 1HE2 GLN 20 5.440 -1.311 8.879 150 HE22 GLN 20 2HE2 GLN 20 6.876 -1.463 7.928 151 H ARG 21 H ARG 21 0.463 -2.524 4.403 152 HA ARG 21 HA ARG 21 0.272 -4.906 5.993 153 HB2 ARG 21 2HB ARG 21 -1.589 -3.387 6.028 154 HB3 ARG 21 1HB ARG 21 -1.726 -3.435 4.275 155 HG2 ARG 21 2HG ARG 21 -3.484 -4.743 5.250 156 HG3 ARG 21 1HG ARG 21 -2.357 -5.814 4.418 157 HD2 ARG 21 2HD ARG 21 -1.269 -5.891 6.845 158 HD3 ARG 21 1HD ARG 21 -2.930 -5.526 7.309 159 HE ARG 21 HE ARG 21 -2.723 -7.690 5.438 160 HH11 ARG 21 1HH1 ARG 21 -2.618 -6.822 8.822 161 HH12 ARG 21 2HH1 ARG 21 -3.019 -8.416 9.372 162 HH21 ARG 21 1HH2 ARG 21 -3.241 -9.795 6.163 163 HH22 ARG 21 2HH2 ARG 21 -3.364 -10.105 7.864 164 H LEU 22 H LEU 22 0.305 -4.148 2.541 165 HA LEU 22 HA LEU 22 -0.229 -6.897 1.820 166 HB2 LEU 22 2HB LEU 22 0.435 -4.449 0.200 167 HB3 LEU 22 1HB LEU 22 0.240 -6.037 -0.518 168 HG LEU 22 HG LEU 22 -1.895 -4.573 1.033 169 HD11 LEU 22 1HD1 LEU 22 -2.964 -4.239 -1.137 170 HD12 LEU 22 2HD1 LEU 22 -1.580 -4.986 -1.937 171 HD13 LEU 22 3HD1 LEU 22 -1.383 -3.458 -1.077 172 HD21 LEU 22 3HD2 LEU 22 -1.916 -7.153 -0.526 173 HD22 LEU 22 1HD2 LEU 22 -3.366 -6.315 0.028 174 HD23 LEU 22 2HD2 LEU 22 -2.209 -6.943 1.202 175 H LEU 23 H LEU 23 2.477 -5.221 2.811 176 HA LEU 23 HA LEU 23 4.484 -6.216 1.141 177 HB2 LEU 23 2HB LEU 23 4.820 -4.374 2.739 178 HB3 LEU 23 1HB LEU 23 4.700 -5.508 4.070 179 HG LEU 23 HG LEU 23 6.739 -6.310 2.163 180 HD11 LEU 23 1HD1 LEU 23 8.321 -4.513 2.673 181 HD12 LEU 23 2HD1 LEU 23 7.042 -3.623 3.494 182 HD13 LEU 23 3HD1 LEU 23 6.935 -3.922 1.760 183 HD21 LEU 23 3HD2 LEU 23 6.817 -5.608 5.095 184 HD22 LEU 23 1HD2 LEU 23 8.085 -6.443 4.197 185 HD23 LEU 23 2HD2 LEU 23 6.512 -7.208 4.421 186 HA PRO 24 HA PRO 24 5.105 -9.915 4.233 187 HB2 PRO 24 2HB PRO 24 2.981 -10.523 5.841 188 HB3 PRO 24 1HB PRO 24 4.338 -9.517 6.356 189 HG2 PRO 24 2HG PRO 24 1.636 -8.691 5.359 190 HG3 PRO 24 1HG PRO 24 2.568 -8.048 6.724 191 HD2 PRO 24 2HD PRO 24 2.476 -6.774 4.367 192 HD3 PRO 24 1HD PRO 24 3.954 -6.799 5.352 193 H VAL 25 H VAL 25 2.253 -9.080 2.549 194 HA VAL 25 HA VAL 25 1.365 -11.816 2.158 195 HB VAL 25 HB VAL 25 0.371 -9.258 0.881 196 HG11 VAL 25 1HG1 VAL 25 -1.614 -10.576 0.292 197 HG12 VAL 25 2HG1 VAL 25 -0.840 -12.019 0.946 198 HG13 VAL 25 3HG1 VAL 25 -0.154 -11.211 -0.463 199 HG21 VAL 25 3HG2 VAL 25 0.044 -9.237 3.293 200 HG22 VAL 25 1HG2 VAL 25 -0.730 -10.817 3.217 201 HG23 VAL 25 2HG2 VAL 25 -1.497 -9.422 2.462 202 H LEU 26 H LEU 26 2.546 -9.136 0.144 203 HA LEU 26 HA LEU 26 2.801 -10.706 -2.200 204 HB2 LEU 26 2HB LEU 26 3.561 -7.973 -1.367 205 HB3 LEU 26 1HB LEU 26 4.474 -8.661 -2.692 206 HG LEU 26 HG LEU 26 2.666 -7.339 -3.580 207 HD11 LEU 26 1HD1 LEU 26 3.298 -9.530 -4.664 208 HD12 LEU 26 2HD1 LEU 26 1.708 -8.889 -5.074 209 HD13 LEU 26 3HD1 LEU 26 1.851 -10.214 -3.920 210 HD21 LEU 26 3HD2 LEU 26 1.234 -7.615 -1.503 211 HD22 LEU 26 1HD2 LEU 26 0.693 -9.141 -2.202 212 HD23 LEU 26 2HD2 LEU 26 0.393 -7.623 -3.053 213 H CYS 27 H CYS 27 4.981 -10.031 0.472 214 HA CYS 27 HA CYS 27 7.293 -11.006 -0.915 215 HB2 CYS 27 2HB CYS 27 8.486 -10.732 1.122 216 HB3 CYS 27 1HB CYS 27 7.347 -9.392 1.040 217 HG CYS 27 HG CYS 27 7.272 -10.003 3.655 218 H GLN 28 H GLN 28 4.710 -12.423 0.881 219 HA GLN 28 HA GLN 28 6.122 -14.922 1.297 220 HB2 GLN 28 2HB GLN 28 4.311 -13.830 2.834 221 HB3 GLN 28 1HB GLN 28 3.173 -14.565 1.711 222 HG2 GLN 28 2HG GLN 28 3.500 -16.001 3.608 223 HG3 GLN 28 1HG GLN 28 4.169 -16.761 2.165 224 HE21 GLN 28 1HE2 GLN 28 5.584 -18.064 3.272 225 HE22 GLN 28 2HE2 GLN 28 6.963 -17.456 4.122 226 H ALA 29 H ALA 29 3.445 -13.681 -0.659 227 HA ALA 29 HA ALA 29 2.943 -16.163 -1.973 228 HB1 ALA 29 3HB ALA 29 1.219 -14.444 -1.759 229 HB2 ALA 29 1HB ALA 29 1.496 -14.868 -3.448 230 HB3 ALA 29 2HB ALA 29 2.158 -13.369 -2.795 231 H HIS 30 H HIS 30 4.887 -13.315 -2.748 232 HA HIS 30 HA HIS 30 5.947 -14.799 -5.065 233 HB2 HIS 30 2HB HIS 30 5.277 -11.884 -4.786 234 HB3 HIS 30 1HB HIS 30 6.507 -12.407 -5.933 235 HD1 HIS 30 HD1 HIS 30 5.686 -13.178 -8.170 236 HD2 HIS 30 HD2 HIS 30 2.664 -13.092 -5.312 237 HE1 HIS 30 HE1 HIS 30 3.557 -13.680 -9.411 238 HE2 HIS 30 HE2 HIS 30 1.787 -13.822 -7.629 239 H GLY 31 H GLY 31 6.780 -12.073 -2.932 240 HA2 GLY 31 2HA GLY 31 8.709 -12.289 -1.459 241 HA3 GLY 31 1HA GLY 31 9.495 -13.218 -2.728 242 H LEU 32 H LEU 32 8.321 -11.283 -4.713 243 HA LEU 32 HA LEU 32 10.579 -9.552 -4.855 244 HB2 LEU 32 2HB LEU 32 8.064 -9.304 -6.486 245 HB3 LEU 32 1HB LEU 32 9.691 -8.826 -6.925 246 HG LEU 32 HG LEU 32 8.856 -11.699 -6.534 247 HD11 LEU 32 1HD1 LEU 32 8.776 -11.855 -8.963 248 HD12 LEU 32 2HD1 LEU 32 9.100 -10.126 -9.097 249 HD13 LEU 32 3HD1 LEU 32 7.595 -10.688 -8.369 250 HD21 LEU 32 3HD2 LEU 32 10.927 -12.155 -7.782 251 HD22 LEU 32 1HD2 LEU 32 11.236 -11.308 -6.267 252 HD23 LEU 32 2HD2 LEU 32 11.286 -10.429 -7.794 253 H THR 33 H THR 33 7.272 -9.196 -3.799 254 HA THR 33 HA THR 33 6.096 -7.505 -2.857 255 HB THR 33 HB THR 33 8.705 -6.208 -2.098 256 HG1 THR 33 HG1 THR 33 9.198 -8.073 -1.205 257 HG21 THR 33 3HG2 THR 33 6.589 -5.083 -1.492 258 HG22 THR 33 1HG2 THR 33 7.486 -5.621 -0.070 259 HG23 THR 33 2HG2 THR 33 6.084 -6.532 -0.627 260 HA PRO 34 HA PRO 34 6.996 -4.819 -6.612 261 HB2 PRO 34 2HB PRO 34 4.450 -4.972 -7.602 262 HB3 PRO 34 1HB PRO 34 5.747 -6.088 -8.045 263 HG2 PRO 34 2HG PRO 34 3.545 -6.439 -6.053 264 HG3 PRO 34 1HG PRO 34 4.190 -7.601 -7.226 265 HD2 PRO 34 2HD PRO 34 4.865 -7.684 -4.626 266 HD3 PRO 34 1HD PRO 34 6.018 -8.113 -5.905 267 H GLU 35 H GLU 35 4.567 -4.882 -4.121 268 HA GLU 35 HA GLU 35 3.311 -2.427 -4.590 269 HB2 GLU 35 2HB GLU 35 3.863 -3.666 -1.890 270 HB3 GLU 35 1HB GLU 35 2.593 -2.517 -2.279 271 HG2 GLU 35 2HG GLU 35 2.807 -5.402 -3.063 272 HG3 GLU 35 1HG GLU 35 1.537 -4.602 -2.141 273 H GLN 36 H GLN 36 6.425 -3.173 -3.218 274 HA GLN 36 HA GLN 36 6.839 -0.651 -1.949 275 HB2 GLN 36 2HB GLN 36 8.060 -2.875 -1.516 276 HB3 GLN 36 1HB GLN 36 9.027 -2.474 -2.928 277 HG2 GLN 36 2HG GLN 36 10.180 -1.829 -0.909 278 HG3 GLN 36 1HG GLN 36 9.746 -0.399 -1.842 279 HE21 GLN 36 1HE2 GLN 36 7.537 -2.263 0.159 280 HE22 GLN 36 2HE2 GLN 36 7.263 -1.025 1.332 281 H VAL 37 H VAL 37 6.586 -1.482 -5.141 282 HA VAL 37 HA VAL 37 8.276 0.781 -5.970 283 HB VAL 37 HB VAL 37 7.478 -1.580 -7.678 284 HG11 VAL 37 1HG1 VAL 37 9.437 0.661 -8.172 285 HG12 VAL 37 2HG1 VAL 37 7.864 0.465 -8.943 286 HG13 VAL 37 3HG1 VAL 37 9.145 -0.710 -9.245 287 HG21 VAL 37 3HG2 VAL 37 8.993 -2.330 -5.951 288 HG22 VAL 37 1HG2 VAL 37 10.099 -1.003 -6.304 289 HG23 VAL 37 2HG2 VAL 37 9.836 -2.274 -7.499 290 H VAL 38 H VAL 38 5.513 -1.105 -7.233 291 HA VAL 38 HA VAL 38 4.488 0.975 -8.795 292 HB VAL 38 HB VAL 38 3.889 -1.356 -9.188 293 HG11 VAL 38 1HG1 VAL 38 3.670 -2.163 -6.912 294 HG12 VAL 38 2HG1 VAL 38 2.186 -2.480 -7.814 295 HG13 VAL 38 3HG1 VAL 38 2.252 -1.142 -6.663 296 HG21 VAL 38 3HG2 VAL 38 1.479 -1.039 -9.617 297 HG22 VAL 38 1HG2 VAL 38 2.455 0.338 -10.134 298 HG23 VAL 38 2HG2 VAL 38 1.522 0.428 -8.639 299 H ALA 39 H ALA 39 3.512 -0.013 -5.497 300 HA ALA 39 HA ALA 39 1.446 1.954 -5.356 301 HB1 ALA 39 3HB ALA 39 1.372 -0.096 -4.016 302 HB2 ALA 39 1HB ALA 39 1.260 1.351 -3.013 303 HB3 ALA 39 2HB ALA 39 2.777 0.455 -3.104 304 H ILE 40 H ILE 40 4.751 1.773 -4.102 305 HA ILE 40 HA ILE 40 4.703 4.200 -2.680 306 HB ILE 40 HB ILE 40 7.023 2.699 -3.893 307 HG12 ILE 40 2HG1 ILE 40 5.852 1.450 -2.163 308 HG13 ILE 40 1HG1 ILE 40 7.415 1.983 -1.554 309 HG21 ILE 40 1HG2 ILE 40 8.475 4.017 -2.423 310 HG22 ILE 40 2HG2 ILE 40 7.087 4.989 -1.933 311 HG23 ILE 40 3HG2 ILE 40 7.647 5.032 -3.605 312 HD11 ILE 40 3HD1 ILE 40 4.712 3.131 -0.911 313 HD12 ILE 40 1HD1 ILE 40 6.237 3.880 -0.437 314 HD13 ILE 40 2HD1 ILE 40 5.813 2.281 0.172 315 H ALA 41 H ALA 41 5.810 3.480 -5.996 316 HA ALA 41 HA ALA 41 6.688 6.081 -6.602 317 HB1 ALA 41 3HB ALA 41 7.315 4.120 -7.924 318 HB2 ALA 41 1HB ALA 41 6.626 5.393 -8.934 319 HB3 ALA 41 2HB ALA 41 5.656 3.984 -8.507 320 H SER 42 H SER 42 3.527 4.530 -7.103 321 HA SER 42 HA SER 42 2.375 6.726 -8.474 322 HB2 SER 42 2HB SER 42 0.931 4.607 -6.873 323 HB3 SER 42 1HB SER 42 0.260 5.600 -8.167 324 HG SER 42 HG SER 42 1.941 3.378 -8.295 325 H HIS 43 H HIS 43 2.909 6.058 -5.121 326 HA HIS 43 HA HIS 43 0.955 7.958 -4.191 327 HB2 HIS 43 2HB HIS 43 1.387 6.110 -2.740 328 HB3 HIS 43 1HB HIS 43 3.121 6.408 -2.775 329 HD1 HIS 43 HD1 HIS 43 -0.081 7.918 -1.378 330 HD2 HIS 43 HD2 HIS 43 4.045 8.116 -0.850 331 HE1 HIS 43 HE1 HIS 43 0.282 9.323 0.671 332 HE2 HIS 43 HE2 HIS 43 2.779 9.604 0.839 333 H ASP 44 H ASP 44 4.532 7.844 -4.106 334 HA ASP 44 HA ASP 44 4.659 10.568 -3.221 335 HB2 ASP 44 2HB ASP 44 6.376 8.781 -2.698 336 HB3 ASP 44 1HB ASP 44 6.947 8.966 -4.356 337 H GLY 45 H GLY 45 5.342 8.939 -6.314 338 HA2 GLY 45 2HA GLY 45 5.810 11.547 -7.551 339 HA3 GLY 45 1HA GLY 45 6.094 9.982 -8.296 340 H GLY 46 H GLY 46 3.087 10.764 -6.668 341 HA2 GLY 46 2HA GLY 46 1.763 11.488 -9.131 342 HA3 GLY 46 1HA GLY 46 1.364 9.877 -8.554 343 H LYS 47 H LYS 47 0.283 9.649 -6.555 344 HA LYS 47 HA LYS 47 -1.595 11.790 -6.074 345 HB2 LYS 47 2HB LYS 47 -1.360 8.929 -5.418 346 HB3 LYS 47 1HB LYS 47 -2.188 9.900 -4.211 347 HG2 LYS 47 2HG LYS 47 -3.633 10.757 -6.120 348 HG3 LYS 47 1HG LYS 47 -2.938 9.451 -7.083 349 HD2 LYS 47 2HD LYS 47 -4.996 8.646 -6.183 350 HD3 LYS 47 1HD LYS 47 -3.693 7.857 -5.293 351 HE2 LYS 47 2HE LYS 47 -3.965 9.469 -3.469 352 HE3 LYS 47 1HE LYS 47 -5.258 10.265 -4.363 353 HZ1 LYS 47 3HZ LYS 47 -6.426 8.894 -2.976 354 HZ2 LYS 47 1HZ LYS 47 -5.268 7.662 -3.009 355 HZ3 LYS 47 2HZ LYS 47 -6.285 7.897 -4.335 356 H GLN 48 H GLN 48 1.107 12.437 -5.256 357 HA GLN 48 HA GLN 48 1.387 12.075 -2.459 358 HB2 GLN 48 2HB GLN 48 3.226 12.687 -4.101 359 HB3 GLN 48 1HB GLN 48 2.597 14.331 -4.048 360 HG2 GLN 48 2HG GLN 48 2.892 14.194 -1.531 361 HG3 GLN 48 1HG GLN 48 3.838 12.739 -1.835 362 HE21 GLN 48 1HE2 GLN 48 5.883 12.914 -2.636 363 HE22 GLN 48 2HE2 GLN 48 6.682 14.431 -2.873 364 H ALA 49 H ALA 49 0.439 14.939 -4.347 365 HA ALA 49 HA ALA 49 -0.401 16.378 -2.018 366 HB1 ALA 49 3HB ALA 49 0.494 17.534 -3.974 367 HB2 ALA 49 1HB ALA 49 -1.138 18.085 -3.604 368 HB3 ALA 49 2HB ALA 49 -0.868 16.967 -4.939 369 H LEU 50 H LEU 50 -1.776 13.896 -3.730 370 HA LEU 50 HA LEU 50 -4.529 14.807 -3.324 371 HB2 LEU 50 2HB LEU 50 -3.319 12.534 -4.878 372 HB3 LEU 50 1HB LEU 50 -5.032 12.586 -4.524 373 HG LEU 50 HG LEU 50 -4.787 13.411 -6.720 374 HD11 LEU 50 1HD1 LEU 50 -4.985 15.868 -4.998 375 HD12 LEU 50 2HD1 LEU 50 -6.291 14.706 -5.229 376 HD13 LEU 50 3HD1 LEU 50 -5.671 15.620 -6.604 377 HD21 LEU 50 3HD2 LEU 50 -3.273 15.221 -7.341 378 HD22 LEU 50 1HD2 LEU 50 -2.393 13.839 -6.687 379 HD23 LEU 50 2HD2 LEU 50 -2.652 15.271 -5.691 380 H GLU 51 H GLU 51 -2.184 13.217 -1.647 381 HA GLU 51 HA GLU 51 -4.184 11.712 -0.103 382 HB2 GLU 51 2HB GLU 51 -1.880 10.706 -1.427 383 HB3 GLU 51 1HB GLU 51 -1.567 10.626 0.299 384 HG2 GLU 51 2HG GLU 51 -3.779 9.456 0.537 385 HG3 GLU 51 1HG GLU 51 -3.815 9.353 -1.223 Start of MODEL 15 1 H1 GLU 1 1HT GLU 1 -14.972 -4.108 2.379 2 H2 GLU 1 2HT GLU 1 -13.970 -4.013 1.022 3 H3 GLU 1 3HT GLU 1 -14.964 -2.710 1.429 4 HA GLU 1 HA GLU 1 -12.618 -2.364 2.012 5 HB2 GLU 1 2HB GLU 1 -14.918 -1.806 3.499 6 HB3 GLU 1 1HB GLU 1 -13.760 -2.408 4.677 7 HG2 GLU 1 2HG GLU 1 -13.618 -0.005 4.504 8 HG3 GLU 1 1HG GLU 1 -12.128 -0.753 3.921 9 H GLN 2 H GLN 2 -11.169 -4.016 1.875 10 HA GLN 2 HA GLN 2 -11.216 -6.286 3.605 11 HB2 GLN 2 2HB GLN 2 -8.859 -6.618 2.669 12 HB3 GLN 2 1HB GLN 2 -10.198 -6.674 1.531 13 HG2 GLN 2 2HG GLN 2 -9.730 -4.421 0.805 14 HG3 GLN 2 1HG GLN 2 -8.455 -4.266 2.013 15 HE21 GLN 2 1HE2 GLN 2 -8.362 -4.039 -0.905 16 HE22 GLN 2 2HE2 GLN 2 -7.180 -5.192 -1.428 17 H VAL 3 H VAL 3 -9.062 -6.820 4.817 18 HA VAL 3 HA VAL 3 -8.946 -5.157 7.052 19 HB VAL 3 HB VAL 3 -6.945 -6.452 7.743 20 HG11 VAL 3 1HG1 VAL 3 -8.081 -8.645 7.826 21 HG12 VAL 3 2HG1 VAL 3 -9.261 -8.048 6.661 22 HG13 VAL 3 3HG1 VAL 3 -9.143 -7.305 8.254 23 HG21 VAL 3 3HG2 VAL 3 -7.247 -7.759 5.044 24 HG22 VAL 3 1HG2 VAL 3 -6.195 -8.324 6.341 25 HG23 VAL 3 2HG2 VAL 3 -5.896 -6.764 5.576 26 H VAL 4 H VAL 4 -6.782 -5.267 4.236 27 HA VAL 4 HA VAL 4 -4.940 -3.404 5.375 28 HB VAL 4 HB VAL 4 -3.797 -3.369 3.286 29 HG11 VAL 4 1HG1 VAL 4 -3.485 -5.416 4.505 30 HG12 VAL 4 2HG1 VAL 4 -3.555 -5.791 2.782 31 HG13 VAL 4 3HG1 VAL 4 -4.954 -6.102 3.806 32 HG21 VAL 4 3HG2 VAL 4 -6.231 -4.655 2.055 33 HG22 VAL 4 1HG2 VAL 4 -4.710 -4.323 1.228 34 HG23 VAL 4 2HG2 VAL 4 -5.704 -2.990 1.810 35 H ALA 5 H ALA 5 -7.946 -3.103 3.763 36 HA ALA 5 HA ALA 5 -7.519 -0.435 2.800 37 HB1 ALA 5 3HB ALA 5 -9.920 -0.459 2.309 38 HB2 ALA 5 1HB ALA 5 -10.074 -1.993 3.168 39 HB3 ALA 5 2HB ALA 5 -9.112 -1.900 1.691 40 H ILE 6 H ILE 6 -9.340 -1.882 5.492 41 HA ILE 6 HA ILE 6 -10.180 0.583 6.585 42 HB ILE 6 HB ILE 6 -10.647 -0.684 8.669 43 HG12 ILE 6 2HG1 ILE 6 -9.581 -3.074 7.151 44 HG13 ILE 6 1HG1 ILE 6 -8.728 -2.276 8.468 45 HG21 ILE 6 1HG2 ILE 6 -12.358 -2.155 7.696 46 HG22 ILE 6 2HG2 ILE 6 -11.597 -1.972 6.115 47 HG23 ILE 6 3HG2 ILE 6 -12.311 -0.572 6.918 48 HD11 ILE 6 3HD1 ILE 6 -10.569 -2.853 9.980 49 HD12 ILE 6 1HD1 ILE 6 -9.830 -4.278 9.251 50 HD13 ILE 6 2HD1 ILE 6 -11.384 -3.686 8.656 51 H ALA 7 H ALA 7 -7.320 -1.418 7.137 52 HA ALA 7 HA ALA 7 -6.318 -0.047 9.377 53 HB1 ALA 7 3HB ALA 7 -4.754 -1.492 7.242 54 HB2 ALA 7 1HB ALA 7 -5.498 -2.243 8.651 55 HB3 ALA 7 2HB ALA 7 -4.187 -1.085 8.861 56 H SER 8 H SER 8 -5.724 0.416 5.910 57 HA SER 8 HA SER 8 -3.885 2.544 6.237 58 HB2 SER 8 2HB SER 8 -5.592 1.931 3.818 59 HB3 SER 8 1HB SER 8 -4.084 2.847 3.849 60 HG SER 8 HG SER 8 -4.510 0.090 4.067 61 H ASN 9 H ASN 9 -7.379 2.419 5.740 62 HA ASN 9 HA ASN 9 -7.771 5.178 5.324 63 HB2 ASN 9 2HB ASN 9 -9.499 3.588 4.740 64 HB3 ASN 9 1HB ASN 9 -9.641 3.069 6.418 65 HD21 ASN 9 1HD2 ASN 9 -10.245 5.670 4.171 66 HD22 ASN 9 2HD2 ASN 9 -11.422 6.486 5.134 67 H ILE 10 H ILE 10 -8.103 3.209 8.279 68 HA ILE 10 HA ILE 10 -8.651 5.439 9.956 69 HB ILE 10 HB ILE 10 -7.656 2.684 10.708 70 HG12 ILE 10 2HG1 ILE 10 -9.795 2.602 9.530 71 HG13 ILE 10 1HG1 ILE 10 -10.027 2.227 11.232 72 HG21 ILE 10 1HG2 ILE 10 -8.895 4.840 12.418 73 HG22 ILE 10 2HG2 ILE 10 -7.232 4.252 12.507 74 HG23 ILE 10 3HG2 ILE 10 -8.571 3.188 12.944 75 HD11 ILE 10 3HD1 ILE 10 -11.805 3.635 10.462 76 HD12 ILE 10 1HD1 ILE 10 -10.654 4.831 9.867 77 HD13 ILE 10 2HD1 ILE 10 -10.802 4.533 11.598 78 H GLY 11 H GLY 11 -5.737 3.878 8.873 79 HA2 GLY 11 2HA GLY 11 -3.992 5.032 10.812 80 HA3 GLY 11 1HA GLY 11 -3.513 4.284 9.296 81 H GLY 12 H GLY 12 -4.970 5.938 7.534 82 HA2 GLY 12 2HA GLY 12 -5.185 8.332 7.079 83 HA3 GLY 12 1HA GLY 12 -3.715 8.570 8.016 84 H LYS 13 H LYS 13 -2.391 6.244 6.849 85 HA LYS 13 HA LYS 13 -1.548 7.524 4.363 86 HB2 LYS 13 2HB LYS 13 -0.243 5.101 5.568 87 HB3 LYS 13 1HB LYS 13 0.460 6.331 4.533 88 HG2 LYS 13 2HG LYS 13 0.180 7.951 6.431 89 HG3 LYS 13 1HG LYS 13 -0.256 6.571 7.436 90 HD2 LYS 13 2HD LYS 13 2.332 6.803 5.905 91 HD3 LYS 13 1HD LYS 13 2.140 7.244 7.601 92 HE2 LYS 13 2HE LYS 13 1.514 4.504 6.511 93 HE3 LYS 13 1HE LYS 13 3.083 4.947 7.178 94 HZ1 LYS 13 3HZ LYS 13 0.815 4.076 8.547 95 HZ2 LYS 13 1HZ LYS 13 1.072 5.694 8.996 96 HZ3 LYS 13 2HZ LYS 13 2.305 4.555 9.199 97 H GLN 14 H GLN 14 -3.434 6.918 3.219 98 HA GLN 14 HA GLN 14 -4.530 4.421 2.898 99 HB2 GLN 14 2HB GLN 14 -4.303 6.729 0.983 100 HB3 GLN 14 1HB GLN 14 -5.221 5.278 0.604 101 HG2 GLN 14 2HG GLN 14 -5.755 6.768 3.136 102 HG3 GLN 14 1HG GLN 14 -6.426 7.340 1.608 103 HE21 GLN 14 1HE2 GLN 14 -8.542 6.941 2.189 104 HE22 GLN 14 2HE2 GLN 14 -9.174 5.337 2.308 105 H ALA 15 H ALA 15 -2.126 5.865 0.679 106 HA ALA 15 HA ALA 15 -1.764 3.268 -0.573 107 HB1 ALA 15 3HB ALA 15 -0.570 5.946 -1.250 108 HB2 ALA 15 1HB ALA 15 -1.991 5.214 -1.994 109 HB3 ALA 15 2HB ALA 15 -0.404 4.474 -2.208 110 H LEU 16 H LEU 16 -0.614 4.097 2.218 111 HA LEU 16 HA LEU 16 2.102 3.129 1.598 112 HB2 LEU 16 2HB LEU 16 1.441 4.974 3.881 113 HB3 LEU 16 1HB LEU 16 3.028 4.436 3.384 114 HG LEU 16 HG LEU 16 1.242 6.185 1.690 115 HD11 LEU 16 1HD1 LEU 16 3.547 6.922 3.488 116 HD12 LEU 16 2HD1 LEU 16 1.861 7.403 3.677 117 HD13 LEU 16 3HD1 LEU 16 2.799 7.997 2.308 118 HD21 LEU 16 3HD2 LEU 16 3.321 6.585 0.432 119 HD22 LEU 16 1HD2 LEU 16 2.825 4.894 0.392 120 HD23 LEU 16 2HD2 LEU 16 4.144 5.401 1.446 121 H GLU 17 H GLU 17 -0.608 3.090 3.848 122 HA GLU 17 HA GLU 17 0.627 1.290 5.687 123 HB2 GLU 17 2HB GLU 17 -1.417 2.886 6.008 124 HB3 GLU 17 1HB GLU 17 -2.341 1.537 5.363 125 HG2 GLU 17 2HG GLU 17 -2.408 1.454 7.747 126 HG3 GLU 17 1HG GLU 17 -1.438 0.106 7.158 127 H THR 18 H THR 18 -1.407 0.959 2.841 128 HA THR 18 HA THR 18 -2.050 -1.750 3.088 129 HB THR 18 HB THR 18 -3.251 -0.500 1.463 130 HG1 THR 18 HG1 THR 18 -2.222 -2.781 0.902 131 HG21 THR 18 3HG2 THR 18 -0.625 -0.002 0.054 132 HG22 THR 18 1HG2 THR 18 -1.568 1.194 0.941 133 HG23 THR 18 2HG2 THR 18 -2.214 0.481 -0.535 134 H VAL 19 H VAL 19 0.734 -0.217 1.452 135 HA VAL 19 HA VAL 19 1.839 -2.692 0.593 136 HB VAL 19 HB VAL 19 2.420 -0.601 -0.542 137 HG11 VAL 19 1HG1 VAL 19 3.943 1.016 0.442 138 HG12 VAL 19 2HG1 VAL 19 3.931 0.116 1.959 139 HG13 VAL 19 3HG1 VAL 19 2.456 0.891 1.383 140 HG21 VAL 19 3HG2 VAL 19 4.796 -1.963 0.716 141 HG22 VAL 19 1HG2 VAL 19 4.844 -0.953 -0.730 142 HG23 VAL 19 2HG2 VAL 19 3.944 -2.472 -0.742 143 H GLN 20 H GLN 20 2.128 -0.751 3.482 144 HA GLN 20 HA GLN 20 4.414 -2.050 4.543 145 HB2 GLN 20 2HB GLN 20 3.710 0.166 5.301 146 HB3 GLN 20 1HB GLN 20 2.215 -0.506 5.932 147 HG2 GLN 20 2HG GLN 20 3.736 -0.116 7.739 148 HG3 GLN 20 1HG GLN 20 3.521 -1.850 7.527 149 HE21 GLN 20 1HE2 GLN 20 5.676 -0.442 8.826 150 HE22 GLN 20 2HE2 GLN 20 7.126 -0.898 8.000 151 H ARG 21 H ARG 21 0.964 -2.672 4.719 152 HA ARG 21 HA ARG 21 1.320 -4.762 6.696 153 HB2 ARG 21 2HB ARG 21 -0.722 -3.154 6.393 154 HB3 ARG 21 1HB ARG 21 -1.236 -4.334 5.197 155 HG2 ARG 21 2HG ARG 21 -2.302 -4.873 7.255 156 HG3 ARG 21 1HG ARG 21 -1.057 -6.090 6.968 157 HD2 ARG 21 2HD ARG 21 -0.786 -5.562 9.219 158 HD3 ARG 21 1HD ARG 21 0.449 -4.590 8.423 159 HE ARG 21 HE ARG 21 -2.037 -3.620 9.633 160 HH11 ARG 21 1HH1 ARG 21 0.990 -2.891 8.006 161 HH12 ARG 21 2HH1 ARG 21 0.943 -1.205 8.419 162 HH21 ARG 21 1HH2 ARG 21 -2.054 -1.397 10.192 163 HH22 ARG 21 2HH2 ARG 21 -0.766 -0.365 9.639 164 H LEU 22 H LEU 22 0.789 -4.528 3.225 165 HA LEU 22 HA LEU 22 0.391 -7.381 2.968 166 HB2 LEU 22 2HB LEU 22 0.506 -5.091 1.043 167 HB3 LEU 22 1HB LEU 22 0.564 -6.743 0.463 168 HG LEU 22 HG LEU 22 -1.663 -5.610 2.153 169 HD11 LEU 22 1HD1 LEU 22 -1.556 -6.113 -0.818 170 HD12 LEU 22 2HD1 LEU 22 -1.610 -4.535 -0.026 171 HD13 LEU 22 3HD1 LEU 22 -2.985 -5.633 0.099 172 HD21 LEU 22 3HD2 LEU 22 -1.545 -7.958 2.472 173 HD22 LEU 22 1HD2 LEU 22 -1.272 -8.245 0.752 174 HD23 LEU 22 2HD2 LEU 22 -2.843 -7.672 1.313 175 H LEU 23 H LEU 23 3.063 -5.339 3.197 176 HA LEU 23 HA LEU 23 4.898 -6.419 1.435 177 HB2 LEU 23 2HB LEU 23 5.417 -4.433 2.677 178 HB3 LEU 23 1HB LEU 23 5.332 -5.300 4.199 179 HG LEU 23 HG LEU 23 7.302 -6.697 3.265 180 HD11 LEU 23 1HD1 LEU 23 8.724 -5.498 1.690 181 HD12 LEU 23 2HD1 LEU 23 7.487 -4.254 1.519 182 HD13 LEU 23 3HD1 LEU 23 7.161 -5.898 0.974 183 HD21 LEU 23 3HD2 LEU 23 7.657 -3.808 4.048 184 HD22 LEU 23 1HD2 LEU 23 8.914 -5.044 4.092 185 HD23 LEU 23 2HD2 LEU 23 7.507 -5.181 5.145 186 HA PRO 24 HA PRO 24 6.329 -9.656 4.772 187 HB2 PRO 24 2HB PRO 24 4.469 -10.279 6.694 188 HB3 PRO 24 1HB PRO 24 5.792 -9.132 6.929 189 HG2 PRO 24 2HG PRO 24 2.927 -8.604 6.236 190 HG3 PRO 24 1HG PRO 24 3.977 -7.756 7.393 191 HD2 PRO 24 2HD PRO 24 3.479 -6.737 4.967 192 HD3 PRO 24 1HD PRO 24 5.079 -6.583 5.723 193 H VAL 25 H VAL 25 3.010 -9.369 3.728 194 HA VAL 25 HA VAL 25 2.495 -12.187 3.672 195 HB VAL 25 HB VAL 25 0.988 -10.007 2.221 196 HG11 VAL 25 1HG1 VAL 25 0.482 -12.241 1.421 197 HG12 VAL 25 2HG1 VAL 25 -0.887 -11.583 2.320 198 HG13 VAL 25 3HG1 VAL 25 0.171 -12.780 3.071 199 HG21 VAL 25 3HG2 VAL 25 0.549 -11.106 4.997 200 HG22 VAL 25 1HG2 VAL 25 -0.529 -9.992 4.152 201 HG23 VAL 25 2HG2 VAL 25 1.100 -9.479 4.592 202 H LEU 26 H LEU 26 2.965 -9.734 1.117 203 HA LEU 26 HA LEU 26 3.037 -11.643 -0.979 204 HB2 LEU 26 2HB LEU 26 3.619 -8.745 -0.728 205 HB3 LEU 26 1HB LEU 26 4.280 -9.581 -2.118 206 HG LEU 26 HG LEU 26 2.226 -8.618 -2.813 207 HD11 LEU 26 1HD1 LEU 26 1.466 -11.468 -2.246 208 HD12 LEU 26 2HD1 LEU 26 2.708 -11.045 -3.420 209 HD13 LEU 26 3HD1 LEU 26 1.057 -10.474 -3.642 210 HD21 LEU 26 3HD2 LEU 26 1.292 -8.243 -0.570 211 HD22 LEU 26 1HD2 LEU 26 0.889 -9.953 -0.466 212 HD23 LEU 26 2HD2 LEU 26 0.116 -8.937 -1.679 213 H CYS 27 H CYS 27 5.529 -10.230 1.057 214 HA CYS 27 HA CYS 27 7.732 -11.094 -0.504 215 HB2 CYS 27 2HB CYS 27 7.483 -10.356 2.408 216 HB3 CYS 27 1HB CYS 27 9.016 -10.804 1.668 217 HG CYS 27 HG CYS 27 7.920 -8.590 -0.333 218 H GLN 28 H GLN 28 5.862 -12.601 2.056 219 HA GLN 28 HA GLN 28 7.600 -14.897 2.211 220 HB2 GLN 28 2HB GLN 28 6.481 -14.223 4.225 221 HB3 GLN 28 1HB GLN 28 4.913 -14.255 3.436 222 HG2 GLN 28 2HG GLN 28 4.982 -16.651 3.276 223 HG3 GLN 28 1HG GLN 28 6.634 -16.679 3.890 224 HE21 GLN 28 1HE2 GLN 28 3.291 -16.049 4.710 225 HE22 GLN 28 2HE2 GLN 28 3.482 -16.232 6.423 226 H ALA 29 H ALA 29 4.686 -13.964 0.558 227 HA ALA 29 HA ALA 29 3.939 -16.606 -0.239 228 HB1 ALA 29 3HB ALA 29 2.283 -15.513 -1.642 229 HB2 ALA 29 1HB ALA 29 3.056 -13.952 -1.359 230 HB3 ALA 29 2HB ALA 29 2.293 -14.811 -0.022 231 H HIS 30 H HIS 30 5.291 -13.829 -2.070 232 HA HIS 30 HA HIS 30 6.338 -15.817 -3.982 233 HB2 HIS 30 2HB HIS 30 4.814 -13.317 -4.484 234 HB3 HIS 30 1HB HIS 30 6.117 -13.708 -5.604 235 HD1 HIS 30 HD1 HIS 30 5.193 -14.826 -7.593 236 HD2 HIS 30 HD2 HIS 30 3.189 -15.947 -4.126 237 HE1 HIS 30 HE1 HIS 30 3.473 -16.509 -8.320 238 HE2 HIS 30 HE2 HIS 30 2.138 -17.002 -6.242 239 H GLY 31 H GLY 31 6.887 -12.781 -2.320 240 HA2 GLY 31 2HA GLY 31 9.011 -12.046 -1.628 241 HA3 GLY 31 1HA GLY 31 9.744 -13.117 -2.807 242 H LEU 32 H LEU 32 7.151 -11.040 -3.795 243 HA LEU 32 HA LEU 32 9.116 -9.341 -5.179 244 HB2 LEU 32 2HB LEU 32 7.778 -10.863 -6.660 245 HB3 LEU 32 1HB LEU 32 6.336 -10.004 -6.148 246 HG LEU 32 HG LEU 32 7.518 -7.889 -7.030 247 HD11 LEU 32 1HD1 LEU 32 9.139 -10.020 -8.410 248 HD12 LEU 32 2HD1 LEU 32 9.740 -8.832 -7.254 249 HD13 LEU 32 3HD1 LEU 32 9.132 -8.306 -8.826 250 HD21 LEU 32 3HD2 LEU 32 6.608 -10.052 -8.923 251 HD22 LEU 32 1HD2 LEU 32 6.746 -8.339 -9.317 252 HD23 LEU 32 2HD2 LEU 32 5.580 -8.873 -8.108 253 H THR 33 H THR 33 5.658 -9.275 -4.316 254 HA THR 33 HA THR 33 4.365 -7.714 -3.290 255 HB THR 33 HB THR 33 6.880 -6.262 -2.457 256 HG1 THR 33 HG1 THR 33 6.047 -7.818 -0.499 257 HG21 THR 33 3HG2 THR 33 4.114 -6.478 -1.266 258 HG22 THR 33 1HG2 THR 33 4.852 -5.048 -1.991 259 HG23 THR 33 2HG2 THR 33 5.485 -5.697 -0.479 260 HA PRO 34 HA PRO 34 4.880 -5.155 -7.132 261 HB2 PRO 34 2HB PRO 34 2.150 -5.031 -7.539 262 HB3 PRO 34 1HB PRO 34 3.224 -6.251 -8.229 263 HG2 PRO 34 2HG PRO 34 1.466 -6.416 -5.821 264 HG3 PRO 34 1HG PRO 34 1.788 -7.642 -7.062 265 HD2 PRO 34 2HD PRO 34 2.950 -7.741 -4.646 266 HD3 PRO 34 1HD PRO 34 3.811 -8.247 -6.112 267 H GLU 35 H GLU 35 2.879 -4.687 -4.259 268 HA GLU 35 HA GLU 35 2.052 -2.050 -4.821 269 HB2 GLU 35 2HB GLU 35 2.228 -2.041 -2.088 270 HB3 GLU 35 1HB GLU 35 0.843 -2.584 -3.018 271 HG2 GLU 35 2HG GLU 35 3.025 -4.491 -2.319 272 HG3 GLU 35 1HG GLU 35 1.791 -4.069 -1.132 273 H GLN 36 H GLN 36 5.116 -3.284 -3.829 274 HA GLN 36 HA GLN 36 6.120 -0.878 -2.664 275 HB2 GLN 36 2HB GLN 36 7.445 -3.347 -3.758 276 HB3 GLN 36 1HB GLN 36 8.382 -1.974 -3.186 277 HG2 GLN 36 2HG GLN 36 7.155 -2.191 -1.002 278 HG3 GLN 36 1HG GLN 36 6.517 -3.719 -1.613 279 HE21 GLN 36 1HE2 GLN 36 9.298 -2.045 -0.425 280 HE22 GLN 36 2HE2 GLN 36 10.318 -3.433 -0.262 281 H VAL 37 H VAL 37 5.225 -1.545 -5.766 282 HA VAL 37 HA VAL 37 7.143 0.401 -6.868 283 HB VAL 37 HB VAL 37 5.643 -1.724 -8.410 284 HG11 VAL 37 1HG1 VAL 37 7.889 0.106 -9.241 285 HG12 VAL 37 2HG1 VAL 37 6.195 0.271 -9.712 286 HG13 VAL 37 3HG1 VAL 37 7.128 -1.128 -10.246 287 HG21 VAL 37 3HG2 VAL 37 7.274 -2.766 -6.936 288 HG22 VAL 37 1HG2 VAL 37 8.528 -1.676 -7.528 289 HG23 VAL 37 2HG2 VAL 37 7.810 -2.866 -8.614 290 H VAL 38 H VAL 38 3.920 -0.893 -7.647 291 HA VAL 38 HA VAL 38 3.081 1.429 -8.984 292 HB VAL 38 HB VAL 38 2.054 -0.674 -9.485 293 HG11 VAL 38 1HG1 VAL 38 2.164 -1.739 -7.301 294 HG12 VAL 38 2HG1 VAL 38 0.528 -1.817 -7.955 295 HG13 VAL 38 3HG1 VAL 38 0.917 -0.649 -6.692 296 HG21 VAL 38 3HG2 VAL 38 -0.272 -0.051 -9.526 297 HG22 VAL 38 1HG2 VAL 38 0.723 1.372 -9.815 298 HG23 VAL 38 2HG2 VAL 38 -0.017 1.122 -8.236 299 H ALA 39 H ALA 39 2.173 0.309 -5.695 300 HA ALA 39 HA ALA 39 0.496 2.494 -5.134 301 HB1 ALA 39 3HB ALA 39 0.426 0.412 -3.854 302 HB2 ALA 39 1HB ALA 39 0.637 1.813 -2.804 303 HB3 ALA 39 2HB ALA 39 2.012 0.776 -3.175 304 H ILE 40 H ILE 40 3.926 1.975 -4.482 305 HA ILE 40 HA ILE 40 4.375 4.313 -2.996 306 HB ILE 40 HB ILE 40 6.313 2.801 -4.754 307 HG12 ILE 40 2HG1 ILE 40 5.311 1.398 -3.003 308 HG13 ILE 40 1HG1 ILE 40 7.013 1.698 -2.674 309 HG21 ILE 40 1HG2 ILE 40 6.882 4.738 -2.510 310 HG22 ILE 40 2HG2 ILE 40 7.071 5.080 -4.231 311 HG23 ILE 40 3HG2 ILE 40 8.075 3.851 -3.460 312 HD11 ILE 40 3HD1 ILE 40 4.630 2.924 -1.320 313 HD12 ILE 40 1HD1 ILE 40 6.278 3.524 -1.112 314 HD13 ILE 40 2HD1 ILE 40 5.867 1.879 -0.623 315 H ALA 41 H ALA 41 4.815 3.646 -6.475 316 HA ALA 41 HA ALA 41 5.733 6.197 -7.187 317 HB1 ALA 41 3HB ALA 41 4.195 4.254 -8.898 318 HB2 ALA 41 1HB ALA 41 5.936 4.226 -8.625 319 HB3 ALA 41 2HB ALA 41 5.198 5.586 -9.470 320 H SER 42 H SER 42 2.424 4.885 -7.183 321 HA SER 42 HA SER 42 1.176 7.131 -8.297 322 HB2 SER 42 2HB SER 42 0.089 5.055 -6.386 323 HB3 SER 42 1HB SER 42 -0.899 6.225 -7.254 324 HG SER 42 HG SER 42 0.402 5.228 -9.154 325 H HIS 43 H HIS 43 2.143 6.460 -4.978 326 HA HIS 43 HA HIS 43 0.713 8.788 -4.005 327 HB2 HIS 43 2HB HIS 43 0.833 6.739 -2.632 328 HB3 HIS 43 1HB HIS 43 2.579 6.931 -2.525 329 HD1 HIS 43 HD1 HIS 43 -0.636 8.477 -1.297 330 HD2 HIS 43 HD2 HIS 43 3.467 8.771 -0.658 331 HE1 HIS 43 HE1 HIS 43 -0.366 9.913 0.753 332 HE2 HIS 43 HE2 HIS 43 2.124 10.140 1.075 333 H ASP 44 H ASP 44 4.082 7.823 -4.536 334 HA ASP 44 HA ASP 44 5.140 10.243 -3.416 335 HB2 ASP 44 2HB ASP 44 6.311 7.978 -3.552 336 HB3 ASP 44 1HB ASP 44 6.615 8.361 -5.242 337 H GLY 45 H GLY 45 4.526 9.074 -6.717 338 HA2 GLY 45 2HA GLY 45 5.565 11.598 -7.785 339 HA3 GLY 45 1HA GLY 45 5.122 10.180 -8.723 340 H GLY 46 H GLY 46 2.598 10.375 -6.763 341 HA2 GLY 46 2HA GLY 46 1.204 12.287 -8.532 342 HA3 GLY 46 1HA GLY 46 0.484 10.775 -8.011 343 H LYS 47 H LYS 47 0.238 10.532 -5.608 344 HA LYS 47 HA LYS 47 -1.204 12.821 -4.657 345 HB2 LYS 47 2HB LYS 47 -0.921 10.003 -3.890 346 HB3 LYS 47 1HB LYS 47 -1.220 11.103 -2.552 347 HG2 LYS 47 2HG LYS 47 -3.309 10.273 -3.319 348 HG3 LYS 47 1HG LYS 47 -3.192 11.970 -3.787 349 HD2 LYS 47 2HD LYS 47 -2.402 11.189 -6.038 350 HD3 LYS 47 1HD LYS 47 -2.810 9.549 -5.531 351 HE2 LYS 47 2HE LYS 47 -4.700 11.886 -5.751 352 HE3 LYS 47 1HE LYS 47 -4.628 10.489 -6.823 353 HZ1 LYS 47 3HZ LYS 47 -6.388 10.098 -5.340 354 HZ2 LYS 47 1HZ LYS 47 -5.479 10.557 -3.987 355 HZ3 LYS 47 2HZ LYS 47 -5.124 9.116 -4.800 356 H GLN 48 H GLN 48 1.721 13.202 -4.820 357 HA GLN 48 HA GLN 48 2.486 13.394 -2.017 358 HB2 GLN 48 2HB GLN 48 4.001 12.826 -4.164 359 HB3 GLN 48 1HB GLN 48 4.224 14.573 -4.106 360 HG2 GLN 48 2HG GLN 48 4.783 14.253 -1.649 361 HG3 GLN 48 1HG GLN 48 4.909 12.534 -2.020 362 HE21 GLN 48 1HE2 GLN 48 7.071 12.393 -1.614 363 HE22 GLN 48 2HE2 GLN 48 8.270 13.127 -2.616 364 H ALA 49 H ALA 49 1.646 15.447 -4.737 365 HA ALA 49 HA ALA 49 1.971 17.850 -3.119 366 HB1 ALA 49 3HB ALA 49 2.749 17.884 -5.448 367 HB2 ALA 49 1HB ALA 49 1.473 19.071 -5.168 368 HB3 ALA 49 2HB ALA 49 1.104 17.559 -5.996 369 H LEU 50 H LEU 50 -0.413 15.618 -4.052 370 HA LEU 50 HA LEU 50 -2.673 17.367 -3.810 371 HB2 LEU 50 2HB LEU 50 -2.173 14.626 -4.587 372 HB3 LEU 50 1HB LEU 50 -3.563 14.737 -3.527 373 HG LEU 50 HG LEU 50 -4.216 14.818 -5.878 374 HD11 LEU 50 1HD1 LEU 50 -5.623 16.780 -5.782 375 HD12 LEU 50 2HD1 LEU 50 -4.611 17.479 -4.522 376 HD13 LEU 50 3HD1 LEU 50 -5.543 16.020 -4.194 377 HD21 LEU 50 3HD2 LEU 50 -3.614 16.697 -7.296 378 HD22 LEU 50 1HD2 LEU 50 -2.172 15.831 -6.771 379 HD23 LEU 50 2HD2 LEU 50 -2.605 17.363 -6.011 380 H GLU 51 H GLU 51 -1.172 14.861 -1.794 381 HA GLU 51 HA GLU 51 -3.023 15.509 0.363 382 HB2 GLU 51 2HB GLU 51 -1.029 13.277 0.008 383 HB3 GLU 51 1HB GLU 51 -1.877 13.563 1.521 384 HG2 GLU 51 2HG GLU 51 -4.013 13.429 0.078 385 HG3 GLU 51 1HG GLU 51 -2.965 12.653 -1.108 Start of MODEL 16 1 H1 GLU 1 1HT GLU 1 -14.098 -3.274 1.884 2 H2 GLU 1 2HT GLU 1 -15.132 -2.089 2.505 3 H3 GLU 1 3HT GLU 1 -15.187 -3.665 3.118 4 HA GLU 1 HA GLU 1 -12.921 -1.776 3.353 5 HB2 GLU 1 2HB GLU 1 -14.545 -2.918 5.614 6 HB3 GLU 1 1HB GLU 1 -13.466 -1.531 5.634 7 HG2 GLU 1 2HG GLU 1 -16.203 -1.719 4.411 8 HG3 GLU 1 1HG GLU 1 -15.691 -0.718 5.767 9 H GLN 2 H GLN 2 -11.411 -3.277 2.581 10 HA GLN 2 HA GLN 2 -11.238 -5.885 3.811 11 HB2 GLN 2 2HB GLN 2 -9.200 -6.135 2.389 12 HB3 GLN 2 1HB GLN 2 -10.663 -5.772 1.489 13 HG2 GLN 2 2HG GLN 2 -9.956 -3.403 1.385 14 HG3 GLN 2 1HG GLN 2 -8.448 -3.853 2.179 15 HE21 GLN 2 1HE2 GLN 2 -8.904 -2.695 -0.470 16 HE22 GLN 2 2HE2 GLN 2 -8.182 -3.790 -1.595 17 H VAL 3 H VAL 3 -8.901 -6.558 4.487 18 HA VAL 3 HA VAL 3 -8.346 -5.268 6.905 19 HB VAL 3 HB VAL 3 -6.277 -6.635 6.983 20 HG11 VAL 3 1HG1 VAL 3 -7.403 -8.789 7.036 21 HG12 VAL 3 2HG1 VAL 3 -8.731 -8.135 6.077 22 HG13 VAL 3 3HG1 VAL 3 -8.442 -7.531 7.708 23 HG21 VAL 3 3HG2 VAL 3 -7.107 -7.427 4.192 24 HG22 VAL 3 1HG2 VAL 3 -5.915 -8.290 5.162 25 HG23 VAL 3 2HG2 VAL 3 -5.614 -6.624 4.672 26 H VAL 4 H VAL 4 -6.863 -4.866 3.733 27 HA VAL 4 HA VAL 4 -4.871 -3.043 4.805 28 HB VAL 4 HB VAL 4 -4.010 -2.876 2.523 29 HG11 VAL 4 1HG1 VAL 4 -3.423 -4.779 4.060 30 HG12 VAL 4 2HG1 VAL 4 -3.157 -5.070 2.344 31 HG13 VAL 4 3HG1 VAL 4 -4.564 -5.762 3.144 32 HG21 VAL 4 3HG2 VAL 4 -6.270 -4.726 1.767 33 HG22 VAL 4 1HG2 VAL 4 -4.966 -4.187 0.706 34 HG23 VAL 4 2HG2 VAL 4 -6.141 -3.023 1.322 35 H ALA 5 H ALA 5 -7.839 -2.508 4.724 36 HA ALA 5 HA ALA 5 -7.665 0.117 3.398 37 HB1 ALA 5 3HB ALA 5 -10.044 -0.001 2.916 38 HB2 ALA 5 1HB ALA 5 -10.134 -1.589 3.677 39 HB3 ALA 5 2HB ALA 5 -9.203 -1.375 2.196 40 H ILE 6 H ILE 6 -9.400 -1.712 5.920 41 HA ILE 6 HA ILE 6 -10.405 0.487 7.321 42 HB ILE 6 HB ILE 6 -10.548 -1.061 9.292 43 HG12 ILE 6 2HG1 ILE 6 -9.510 -3.157 7.380 44 HG13 ILE 6 1HG1 ILE 6 -8.503 -2.402 8.611 45 HG21 ILE 6 1HG2 ILE 6 -12.226 -2.513 8.262 46 HG22 ILE 6 2HG2 ILE 6 -11.618 -2.074 6.664 47 HG23 ILE 6 3HG2 ILE 6 -12.358 -0.849 7.694 48 HD11 ILE 6 3HD1 ILE 6 -9.303 -4.533 9.384 49 HD12 ILE 6 1HD1 ILE 6 -10.971 -4.051 9.078 50 HD13 ILE 6 2HD1 ILE 6 -10.037 -3.241 10.335 51 H ALA 7 H ALA 7 -7.256 -1.069 7.511 52 HA ALA 7 HA ALA 7 -6.525 0.518 9.832 53 HB1 ALA 7 3HB ALA 7 -4.427 -0.714 9.784 54 HB2 ALA 7 1HB ALA 7 -4.876 -1.445 8.243 55 HB3 ALA 7 2HB ALA 7 -5.800 -1.816 9.698 56 H SER 8 H SER 8 -5.981 0.478 6.387 57 HA SER 8 HA SER 8 -3.809 2.337 6.461 58 HB2 SER 8 2HB SER 8 -5.469 1.715 4.032 59 HB3 SER 8 1HB SER 8 -3.755 2.123 4.122 60 HG SER 8 HG SER 8 -4.650 -0.234 3.914 61 H ASN 9 H ASN 9 -7.253 2.560 5.529 62 HA ASN 9 HA ASN 9 -7.108 5.326 4.885 63 HB2 ASN 9 2HB ASN 9 -8.874 3.786 4.043 64 HB3 ASN 9 1HB ASN 9 -9.550 3.723 5.666 65 HD21 ASN 9 1HD2 ASN 9 -9.013 5.702 2.856 66 HD22 ASN 9 2HD2 ASN 9 -10.178 6.920 3.252 67 H ILE 10 H ILE 10 -8.217 3.569 7.764 68 HA ILE 10 HA ILE 10 -8.903 5.915 9.218 69 HB ILE 10 HB ILE 10 -8.633 3.020 9.885 70 HG12 ILE 10 2HG1 ILE 10 -10.930 3.475 10.834 71 HG13 ILE 10 1HG1 ILE 10 -10.776 5.123 10.238 72 HG21 ILE 10 1HG2 ILE 10 -9.079 3.468 12.278 73 HG22 ILE 10 2HG2 ILE 10 -8.762 5.179 11.989 74 HG23 ILE 10 3HG2 ILE 10 -7.475 3.993 11.763 75 HD11 ILE 10 3HD1 ILE 10 -10.545 4.240 7.951 76 HD12 ILE 10 1HD1 ILE 10 -12.078 3.808 8.707 77 HD13 ILE 10 2HD1 ILE 10 -10.791 2.612 8.584 78 H GLY 11 H GLY 11 -5.958 4.120 8.751 79 HA2 GLY 11 2HA GLY 11 -4.544 5.360 10.932 80 HA3 GLY 11 1HA GLY 11 -3.851 4.347 9.673 81 H GLY 12 H GLY 12 -5.633 6.586 8.088 82 HA2 GLY 12 2HA GLY 12 -5.232 8.689 7.196 83 HA3 GLY 12 1HA GLY 12 -3.824 8.832 8.235 84 H LYS 13 H LYS 13 -2.271 6.764 7.529 85 HA LYS 13 HA LYS 13 -1.326 7.592 4.926 86 HB2 LYS 13 2HB LYS 13 -0.092 5.344 6.451 87 HB3 LYS 13 1HB LYS 13 0.677 6.588 5.482 88 HG2 LYS 13 2HG LYS 13 0.701 8.108 7.194 89 HG3 LYS 13 1HG LYS 13 -0.696 7.390 7.996 90 HD2 LYS 13 2HD LYS 13 2.012 6.076 7.827 91 HD3 LYS 13 1HD LYS 13 1.474 7.053 9.194 92 HE2 LYS 13 2HE LYS 13 -0.314 5.517 9.659 93 HE3 LYS 13 1HE LYS 13 0.025 4.610 8.188 94 HZ1 LYS 13 3HZ LYS 13 1.259 3.315 9.490 95 HZ2 LYS 13 1HZ LYS 13 1.265 4.437 10.762 96 HZ3 LYS 13 2HZ LYS 13 2.391 4.579 9.512 97 H GLN 14 H GLN 14 -3.387 6.702 3.963 98 HA GLN 14 HA GLN 14 -3.944 3.975 3.816 99 HB2 GLN 14 2HB GLN 14 -5.528 5.702 3.130 100 HB3 GLN 14 1HB GLN 14 -4.491 6.132 1.779 101 HG2 GLN 14 2HG GLN 14 -4.893 4.055 0.701 102 HG3 GLN 14 1HG GLN 14 -5.708 3.408 2.122 103 HE21 GLN 14 1HE2 GLN 14 -6.621 3.728 -0.648 104 HE22 GLN 14 2HE2 GLN 14 -8.074 4.661 -0.555 105 H ALA 15 H ALA 15 -1.973 5.991 1.669 106 HA ALA 15 HA ALA 15 -1.333 3.794 -0.068 107 HB1 ALA 15 3HB ALA 15 -0.004 5.379 -1.295 108 HB2 ALA 15 1HB ALA 15 -0.081 6.532 0.036 109 HB3 ALA 15 2HB ALA 15 -1.544 6.128 -0.867 110 H LEU 16 H LEU 16 -0.410 4.068 2.943 111 HA LEU 16 HA LEU 16 2.344 3.204 2.369 112 HB2 LEU 16 2HB LEU 16 1.327 4.910 4.624 113 HB3 LEU 16 1HB LEU 16 2.840 4.033 4.748 114 HG LEU 16 HG LEU 16 2.227 6.101 2.633 115 HD11 LEU 16 1HD1 LEU 16 3.756 6.281 5.216 116 HD12 LEU 16 2HD1 LEU 16 2.366 7.238 4.710 117 HD13 LEU 16 3HD1 LEU 16 3.920 7.449 3.905 118 HD21 LEU 16 3HD2 LEU 16 4.691 5.989 2.279 119 HD22 LEU 16 1HD2 LEU 16 3.829 4.520 1.822 120 HD23 LEU 16 2HD2 LEU 16 4.730 4.579 3.337 121 H GLU 17 H GLU 17 -0.405 2.921 4.591 122 HA GLU 17 HA GLU 17 0.617 0.663 5.958 123 HB2 GLU 17 2HB GLU 17 -2.097 1.899 5.694 124 HB3 GLU 17 1HB GLU 17 -1.907 0.349 6.504 125 HG2 GLU 17 2HG GLU 17 -0.647 2.968 7.273 126 HG3 GLU 17 1HG GLU 17 -1.905 2.091 8.142 127 H THR 18 H THR 18 -1.252 1.056 3.024 128 HA THR 18 HA THR 18 -2.124 -1.606 2.792 129 HB THR 18 HB THR 18 -3.024 0.337 1.474 130 HG1 THR 18 HG1 THR 18 -2.223 -1.992 0.024 131 HG21 THR 18 3HG2 THR 18 -0.575 -0.149 -0.233 132 HG22 THR 18 1HG2 THR 18 -0.913 1.305 0.712 133 HG23 THR 18 2HG2 THR 18 -1.941 0.885 -0.657 134 H VAL 19 H VAL 19 0.906 -0.053 1.810 135 HA VAL 19 HA VAL 19 1.783 -2.416 0.409 136 HB VAL 19 HB VAL 19 2.551 -0.278 -0.441 137 HG11 VAL 19 1HG1 VAL 19 4.094 1.153 0.775 138 HG12 VAL 19 2HG1 VAL 19 3.984 0.095 2.182 139 HG13 VAL 19 3HG1 VAL 19 2.568 0.996 1.645 140 HG21 VAL 19 3HG2 VAL 19 4.745 -1.970 0.735 141 HG22 VAL 19 1HG2 VAL 19 5.016 -0.696 -0.452 142 HG23 VAL 19 2HG2 VAL 19 4.032 -2.093 -0.871 143 H GLN 20 H GLN 20 2.280 -0.942 3.559 144 HA GLN 20 HA GLN 20 4.391 -2.647 4.388 145 HB2 GLN 20 2HB GLN 20 3.961 -0.524 5.506 146 HB3 GLN 20 1HB GLN 20 2.368 -1.079 6.005 147 HG2 GLN 20 2HG GLN 20 3.803 -1.236 7.886 148 HG3 GLN 20 1HG GLN 20 3.487 -2.875 7.321 149 HE21 GLN 20 1HE2 GLN 20 5.848 -0.388 7.719 150 HE22 GLN 20 2HE2 GLN 20 7.234 -1.349 7.337 151 H ARG 21 H ARG 21 0.895 -2.827 4.572 152 HA ARG 21 HA ARG 21 0.807 -5.125 6.261 153 HB2 ARG 21 2HB ARG 21 -1.001 -3.281 5.680 154 HB3 ARG 21 1HB ARG 21 -1.439 -4.430 4.426 155 HG2 ARG 21 2HG ARG 21 -2.822 -4.783 6.350 156 HG3 ARG 21 1HG ARG 21 -1.740 -6.161 6.152 157 HD2 ARG 21 2HD ARG 21 -1.941 -5.455 8.495 158 HD3 ARG 21 1HD ARG 21 -0.292 -5.319 7.895 159 HE ARG 21 HE ARG 21 -0.857 -2.866 7.586 160 HH11 ARG 21 1HH1 ARG 21 -2.351 -4.861 10.038 161 HH12 ARG 21 2HH1 ARG 21 -2.657 -3.539 11.116 162 HH21 ARG 21 1HH2 ARG 21 -1.212 -1.103 9.031 163 HH22 ARG 21 2HH2 ARG 21 -2.018 -1.409 10.545 164 H LEU 22 H LEU 22 0.780 -4.621 2.769 165 HA LEU 22 HA LEU 22 0.319 -7.451 2.289 166 HB2 LEU 22 2HB LEU 22 0.565 -5.040 0.524 167 HB3 LEU 22 1HB LEU 22 0.654 -6.655 -0.154 168 HG LEU 22 HG LEU 22 -1.666 -5.771 1.534 169 HD11 LEU 22 1HD1 LEU 22 -1.352 -5.523 -1.452 170 HD12 LEU 22 2HD1 LEU 22 -1.540 -4.203 -0.297 171 HD13 LEU 22 3HD1 LEU 22 -2.870 -5.330 -0.574 172 HD21 LEU 22 3HD2 LEU 22 -1.413 -8.166 1.235 173 HD22 LEU 22 1HD2 LEU 22 -1.316 -7.956 -0.513 174 HD23 LEU 22 2HD2 LEU 22 -2.815 -7.583 0.338 175 H LEU 23 H LEU 23 2.961 -5.552 2.959 176 HA LEU 23 HA LEU 23 4.895 -6.458 1.174 177 HB2 LEU 23 2HB LEU 23 5.141 -4.567 2.786 178 HB3 LEU 23 1HB LEU 23 5.366 -5.744 4.062 179 HG LEU 23 HG LEU 23 7.218 -6.464 2.099 180 HD11 LEU 23 1HD1 LEU 23 8.488 -4.399 1.754 181 HD12 LEU 23 2HD1 LEU 23 7.194 -3.481 2.523 182 HD13 LEU 23 3HD1 LEU 23 6.895 -4.322 1.003 183 HD21 LEU 23 3HD2 LEU 23 7.546 -4.912 4.662 184 HD22 LEU 23 1HD2 LEU 23 8.852 -5.706 3.779 185 HD23 LEU 23 2HD2 LEU 23 7.551 -6.667 4.480 186 HA PRO 24 HA PRO 24 6.124 -9.990 4.284 187 HB2 PRO 24 2HB PRO 24 4.139 -10.757 6.027 188 HB3 PRO 24 1HB PRO 24 5.474 -9.681 6.452 189 HG2 PRO 24 2HG PRO 24 2.667 -8.995 5.673 190 HG3 PRO 24 1HG PRO 24 3.677 -8.296 6.953 191 HD2 PRO 24 2HD PRO 24 3.322 -7.032 4.622 192 HD3 PRO 24 1HD PRO 24 4.887 -6.996 5.463 193 H VAL 25 H VAL 25 2.732 -9.616 3.417 194 HA VAL 25 HA VAL 25 2.121 -12.313 2.953 195 HB VAL 25 HB VAL 25 0.924 -9.949 1.502 196 HG11 VAL 25 1HG1 VAL 25 -1.066 -11.354 1.348 197 HG12 VAL 25 2HG1 VAL 25 -0.216 -12.660 2.172 198 HG13 VAL 25 3HG1 VAL 25 0.321 -12.126 0.581 199 HG21 VAL 25 3HG2 VAL 25 0.181 -11.100 4.192 200 HG22 VAL 25 1HG2 VAL 25 -0.760 -9.903 3.303 201 HG23 VAL 25 2HG2 VAL 25 0.856 -9.502 3.881 202 H LEU 26 H LEU 26 3.008 -9.744 0.641 203 HA LEU 26 HA LEU 26 3.165 -11.491 -1.582 204 HB2 LEU 26 2HB LEU 26 3.869 -8.680 -1.011 205 HB3 LEU 26 1HB LEU 26 4.716 -9.431 -2.348 206 HG LEU 26 HG LEU 26 2.751 -8.204 -3.118 207 HD11 LEU 26 1HD1 LEU 26 2.277 -11.165 -3.384 208 HD12 LEU 26 2HD1 LEU 26 3.506 -10.274 -4.279 209 HD13 LEU 26 3HD1 LEU 26 1.800 -9.894 -4.507 210 HD21 LEU 26 3HD2 LEU 26 0.514 -8.850 -2.523 211 HD22 LEU 26 1HD2 LEU 26 1.410 -8.471 -1.054 212 HD23 LEU 26 2HD2 LEU 26 1.117 -10.152 -1.500 213 H CYS 27 H CYS 27 5.514 -10.417 0.795 214 HA CYS 27 HA CYS 27 7.829 -11.288 -0.544 215 HB2 CYS 27 2HB CYS 27 7.224 -10.858 2.375 216 HB3 CYS 27 1HB CYS 27 8.809 -11.374 1.808 217 HG CYS 27 HG CYS 27 7.260 -8.466 0.890 218 H GLN 28 H GLN 28 5.640 -12.948 1.694 219 HA GLN 28 HA GLN 28 7.234 -15.348 1.637 220 HB2 GLN 28 2HB GLN 28 5.682 -14.453 3.535 221 HB3 GLN 28 1HB GLN 28 4.410 -15.262 2.631 222 HG2 GLN 28 2HG GLN 28 5.433 -17.373 2.901 223 HG3 GLN 28 1HG GLN 28 6.922 -16.652 3.508 224 HE21 GLN 28 1HE2 GLN 28 3.656 -17.531 4.236 225 HE22 GLN 28 2HE2 GLN 28 3.763 -17.327 5.950 226 H ALA 29 H ALA 29 4.265 -14.184 0.143 227 HA ALA 29 HA ALA 29 3.363 -16.574 -0.982 228 HB1 ALA 29 3HB ALA 29 2.077 -15.202 -2.522 229 HB2 ALA 29 1HB ALA 29 3.062 -13.799 -2.118 230 HB3 ALA 29 2HB ALA 29 2.019 -14.525 -0.895 231 H HIS 30 H HIS 30 5.465 -14.084 -2.462 232 HA HIS 30 HA HIS 30 6.599 -16.191 -4.131 233 HB2 HIS 30 2HB HIS 30 4.709 -14.338 -5.131 234 HB3 HIS 30 1HB HIS 30 6.275 -13.897 -5.806 235 HD1 HIS 30 HD1 HIS 30 7.461 -15.695 -7.319 236 HD2 HIS 30 HD2 HIS 30 3.602 -16.679 -6.112 237 HE1 HIS 30 HE1 HIS 30 6.755 -17.608 -8.792 238 HE2 HIS 30 HE2 HIS 30 4.408 -18.170 -8.065 239 H GLY 31 H GLY 31 6.914 -13.174 -2.501 240 HA2 GLY 31 2HA GLY 31 8.922 -12.227 -1.785 241 HA3 GLY 31 1HA GLY 31 9.789 -13.329 -2.841 242 H LEU 32 H LEU 32 7.188 -11.491 -4.148 243 HA LEU 32 HA LEU 32 9.108 -9.982 -5.759 244 HB2 LEU 32 2HB LEU 32 6.143 -10.403 -6.135 245 HB3 LEU 32 1HB LEU 32 7.199 -9.552 -7.247 246 HG LEU 32 HG LEU 32 7.586 -12.454 -6.539 247 HD11 LEU 32 1HD1 LEU 32 5.369 -12.154 -7.537 248 HD12 LEU 32 2HD1 LEU 32 6.463 -13.013 -8.619 249 HD13 LEU 32 3HD1 LEU 32 6.100 -11.312 -8.902 250 HD21 LEU 32 3HD2 LEU 32 8.886 -12.472 -8.619 251 HD22 LEU 32 1HD2 LEU 32 9.537 -11.331 -7.445 252 HD23 LEU 32 2HD2 LEU 32 8.590 -10.743 -8.809 253 H THR 33 H THR 33 5.966 -9.429 -4.207 254 HA THR 33 HA THR 33 5.006 -7.627 -3.237 255 HB THR 33 HB THR 33 7.752 -6.556 -2.631 256 HG1 THR 33 HG1 THR 33 8.153 -8.270 -1.461 257 HG21 THR 33 3HG2 THR 33 6.667 -5.901 -0.521 258 HG22 THR 33 1HG2 THR 33 5.152 -6.605 -1.089 259 HG23 THR 33 2HG2 THR 33 5.842 -5.210 -1.918 260 HA PRO 34 HA PRO 34 5.982 -4.906 -6.923 261 HB2 PRO 34 2HB PRO 34 3.560 -5.078 -8.124 262 HB3 PRO 34 1HB PRO 34 4.859 -6.236 -8.431 263 HG2 PRO 34 2HG PRO 34 2.471 -6.492 -6.651 264 HG3 PRO 34 1HG PRO 34 3.193 -7.692 -7.738 265 HD2 PRO 34 2HD PRO 34 3.611 -7.672 -5.048 266 HD3 PRO 34 1HD PRO 34 4.800 -8.289 -6.210 267 H GLU 35 H GLU 35 3.784 -5.104 -4.375 268 HA GLU 35 HA GLU 35 2.161 -2.867 -4.677 269 HB2 GLU 35 2HB GLU 35 3.214 -3.572 -1.970 270 HB3 GLU 35 1HB GLU 35 1.583 -3.133 -2.446 271 HG2 GLU 35 2HG GLU 35 2.939 -5.763 -3.002 272 HG3 GLU 35 1HG GLU 35 1.734 -5.463 -1.755 273 H GLN 36 H GLN 36 5.450 -3.160 -3.440 274 HA GLN 36 HA GLN 36 5.617 -0.447 -2.550 275 HB2 GLN 36 2HB GLN 36 7.947 -0.893 -2.139 276 HB3 GLN 36 1HB GLN 36 7.006 -2.279 -1.606 277 HG2 GLN 36 2HG GLN 36 7.584 -3.455 -3.682 278 HG3 GLN 36 1HG GLN 36 8.556 -2.073 -4.182 279 HE21 GLN 36 1HE2 GLN 36 9.528 -1.584 -1.466 280 HE22 GLN 36 2HE2 GLN 36 10.691 -2.824 -1.152 281 H VAL 37 H VAL 37 5.581 -1.774 -5.600 282 HA VAL 37 HA VAL 37 7.328 0.299 -6.719 283 HB VAL 37 HB VAL 37 6.028 -1.905 -8.306 284 HG11 VAL 37 1HG1 VAL 37 7.029 -0.070 -9.564 285 HG12 VAL 37 2HG1 VAL 37 7.939 -1.562 -9.794 286 HG13 VAL 37 3HG1 VAL 37 8.557 -0.309 -8.717 287 HG21 VAL 37 3HG2 VAL 37 7.238 -2.918 -6.415 288 HG22 VAL 37 1HG2 VAL 37 8.698 -2.065 -6.909 289 HG23 VAL 37 2HG2 VAL 37 7.989 -3.285 -7.966 290 H VAL 38 H VAL 38 3.999 -0.619 -6.418 291 HA VAL 38 HA VAL 38 3.254 1.397 -8.414 292 HB VAL 38 HB VAL 38 2.241 -0.734 -8.857 293 HG11 VAL 38 1HG1 VAL 38 2.330 -1.732 -6.659 294 HG12 VAL 38 2HG1 VAL 38 0.686 -1.807 -7.292 295 HG13 VAL 38 3HG1 VAL 38 1.105 -0.609 -6.070 296 HG21 VAL 38 3HG2 VAL 38 -0.117 -0.125 -8.892 297 HG22 VAL 38 1HG2 VAL 38 0.899 1.249 -9.328 298 HG23 VAL 38 2HG2 VAL 38 0.186 1.155 -7.715 299 H ALA 39 H ALA 39 2.523 0.439 -5.055 300 HA ALA 39 HA ALA 39 0.787 2.656 -4.582 301 HB1 ALA 39 3HB ALA 39 0.607 0.574 -3.302 302 HB2 ALA 39 1HB ALA 39 0.847 1.967 -2.246 303 HB3 ALA 39 2HB ALA 39 2.192 0.878 -2.589 304 H ILE 40 H ILE 40 4.161 1.966 -3.713 305 HA ILE 40 HA ILE 40 4.615 4.363 -2.311 306 HB ILE 40 HB ILE 40 6.555 2.566 -3.772 307 HG12 ILE 40 2HG1 ILE 40 5.325 1.570 -1.857 308 HG13 ILE 40 1HG1 ILE 40 7.061 1.666 -1.583 309 HG21 ILE 40 1HG2 ILE 40 8.338 3.664 -2.505 310 HG22 ILE 40 2HG2 ILE 40 7.165 4.803 -1.842 311 HG23 ILE 40 3HG2 ILE 40 7.510 4.798 -3.573 312 HD11 ILE 40 3HD1 ILE 40 6.010 2.284 0.430 313 HD12 ILE 40 1HD1 ILE 40 4.903 3.381 -0.398 314 HD13 ILE 40 2HD1 ILE 40 6.619 3.775 -0.290 315 H ALA 41 H ALA 41 4.894 3.511 -5.707 316 HA ALA 41 HA ALA 41 6.206 5.816 -6.618 317 HB1 ALA 41 3HB ALA 41 4.252 4.108 -8.149 318 HB2 ALA 41 1HB ALA 41 5.960 3.734 -7.919 319 HB3 ALA 41 2HB ALA 41 5.488 5.172 -8.823 320 H SER 42 H SER 42 2.718 5.063 -6.464 321 HA SER 42 HA SER 42 1.912 7.556 -7.549 322 HB2 SER 42 2HB SER 42 -0.332 6.850 -6.378 323 HB3 SER 42 1HB SER 42 0.266 5.938 -7.763 324 HG SER 42 HG SER 42 0.661 4.267 -6.523 325 H HIS 43 H HIS 43 2.374 6.374 -4.264 326 HA HIS 43 HA HIS 43 1.280 8.624 -2.945 327 HB2 HIS 43 2HB HIS 43 1.500 6.680 -1.638 328 HB3 HIS 43 1HB HIS 43 3.178 6.446 -2.105 329 HD1 HIS 43 HD1 HIS 43 1.120 8.939 -0.068 330 HD2 HIS 43 HD2 HIS 43 4.949 7.321 -0.258 331 HE1 HIS 43 HE1 HIS 43 2.347 9.862 1.923 332 HE2 HIS 43 HE2 HIS 43 4.706 9.007 1.682 333 H ASP 44 H ASP 44 4.598 7.795 -3.891 334 HA ASP 44 HA ASP 44 5.712 10.188 -2.783 335 HB2 ASP 44 2HB ASP 44 7.069 8.165 -3.029 336 HB3 ASP 44 1HB ASP 44 6.885 8.240 -4.780 337 H GLY 45 H GLY 45 4.852 9.123 -6.061 338 HA2 GLY 45 2HA GLY 45 5.086 11.946 -6.901 339 HA3 GLY 45 1HA GLY 45 5.536 10.607 -7.945 340 H GLY 46 H GLY 46 3.051 12.676 -6.976 341 HA2 GLY 46 2HA GLY 46 1.228 12.634 -8.736 342 HA3 GLY 46 1HA GLY 46 1.036 10.951 -8.266 343 H LYS 47 H LYS 47 0.658 10.623 -5.848 344 HA LYS 47 HA LYS 47 -1.725 11.938 -5.139 345 HB2 LYS 47 2HB LYS 47 -0.330 9.709 -4.241 346 HB3 LYS 47 1HB LYS 47 -0.315 10.793 -2.857 347 HG2 LYS 47 2HG LYS 47 -2.791 9.948 -4.348 348 HG3 LYS 47 1HG LYS 47 -2.214 9.217 -2.853 349 HD2 LYS 47 2HD LYS 47 -2.267 11.816 -2.123 350 HD3 LYS 47 1HD LYS 47 -3.576 11.795 -3.305 351 HE2 LYS 47 2HE LYS 47 -4.559 9.860 -2.094 352 HE3 LYS 47 1HE LYS 47 -3.313 10.049 -0.864 353 HZ1 LYS 47 3HZ LYS 47 -4.167 12.392 -0.598 354 HZ2 LYS 47 1HZ LYS 47 -5.197 11.155 -0.064 355 HZ3 LYS 47 2HZ LYS 47 -5.498 11.924 -1.538 356 H GLN 48 H GLN 48 1.621 12.587 -4.322 357 HA GLN 48 HA GLN 48 1.193 14.348 -2.176 358 HB2 GLN 48 2HB GLN 48 3.448 15.120 -2.531 359 HB3 GLN 48 1HB GLN 48 3.406 13.387 -2.806 360 HG2 GLN 48 2HG GLN 48 3.607 13.635 -5.122 361 HG3 GLN 48 1HG GLN 48 3.183 15.342 -5.061 362 HE21 GLN 48 1HE2 GLN 48 4.908 15.959 -2.832 363 HE22 GLN 48 2HE2 GLN 48 6.529 15.909 -3.431 364 H ALA 49 H ALA 49 0.831 14.757 -5.606 365 HA ALA 49 HA ALA 49 0.735 17.656 -5.443 366 HB1 ALA 49 3HB ALA 49 0.369 17.586 -7.842 367 HB2 ALA 49 1HB ALA 49 0.182 15.832 -7.779 368 HB3 ALA 49 2HB ALA 49 1.739 16.567 -7.399 369 H LEU 50 H LEU 50 -1.320 15.238 -4.665 370 HA LEU 50 HA LEU 50 -3.718 16.763 -5.431 371 HB2 LEU 50 2HB LEU 50 -3.183 13.863 -5.049 372 HB3 LEU 50 1HB LEU 50 -4.760 14.455 -4.570 373 HG LEU 50 HG LEU 50 -4.948 13.602 -6.783 374 HD11 LEU 50 1HD1 LEU 50 -5.855 15.443 -7.934 375 HD12 LEU 50 2HD1 LEU 50 -4.774 16.576 -7.130 376 HD13 LEU 50 3HD1 LEU 50 -6.060 15.790 -6.219 377 HD21 LEU 50 3HD2 LEU 50 -3.585 14.402 -8.647 378 HD22 LEU 50 1HD2 LEU 50 -2.590 13.643 -7.405 379 HD23 LEU 50 2HD2 LEU 50 -2.646 15.400 -7.537 380 H GLU 51 H GLU 51 -1.960 15.250 -2.835 381 HA GLU 51 HA GLU 51 -1.930 15.559 -0.599 382 HB2 GLU 51 2HB GLU 51 -2.286 17.997 -1.233 383 HB3 GLU 51 1HB GLU 51 -3.992 17.734 -0.908 384 HG2 GLU 51 2HG GLU 51 -3.021 18.716 1.019 385 HG3 GLU 51 1HG GLU 51 -3.383 17.031 1.393 Start of MODEL 17 1 H1 GLU 1 1HT GLU 1 -15.727 -3.921 2.443 2 H2 GLU 1 2HT GLU 1 -15.221 -5.189 3.442 3 H3 GLU 1 3HT GLU 1 -14.874 -5.225 1.788 4 HA GLU 1 HA GLU 1 -13.433 -3.335 1.983 5 HB2 GLU 1 2HB GLU 1 -12.874 -2.855 4.563 6 HB3 GLU 1 1HB GLU 1 -14.081 -1.945 3.667 7 HG2 GLU 1 2HG GLU 1 -14.914 -2.562 5.850 8 HG3 GLU 1 1HG GLU 1 -15.841 -3.369 4.586 9 H GLN 2 H GLN 2 -11.346 -3.430 3.748 10 HA GLN 2 HA GLN 2 -10.633 -6.200 4.215 11 HB2 GLN 2 2HB GLN 2 -8.373 -5.552 2.931 12 HB3 GLN 2 1HB GLN 2 -9.729 -6.321 2.119 13 HG2 GLN 2 2HG GLN 2 -10.520 -4.033 1.473 14 HG3 GLN 2 1HG GLN 2 -9.003 -3.403 2.108 15 HE21 GLN 2 1HE2 GLN 2 -10.480 -5.363 -0.362 16 HE22 GLN 2 2HE2 GLN 2 -9.139 -5.344 -1.457 17 H VAL 3 H VAL 3 -8.760 -6.418 5.549 18 HA VAL 3 HA VAL 3 -8.550 -4.510 7.574 19 HB VAL 3 HB VAL 3 -6.450 -5.780 8.246 20 HG11 VAL 3 1HG1 VAL 3 -7.728 -7.720 8.998 21 HG12 VAL 3 2HG1 VAL 3 -9.007 -7.326 7.851 22 HG13 VAL 3 3HG1 VAL 3 -8.653 -6.230 9.186 23 HG21 VAL 3 3HG2 VAL 3 -7.313 -7.602 6.000 24 HG22 VAL 3 1HG2 VAL 3 -6.019 -7.904 7.159 25 HG23 VAL 3 2HG2 VAL 3 -5.867 -6.590 5.989 26 H VAL 4 H VAL 4 -6.632 -4.953 4.671 27 HA VAL 4 HA VAL 4 -4.548 -3.165 5.458 28 HB VAL 4 HB VAL 4 -3.730 -3.344 3.188 29 HG11 VAL 4 1HG1 VAL 4 -4.810 -6.048 3.947 30 HG12 VAL 4 2HG1 VAL 4 -3.472 -5.271 4.790 31 HG13 VAL 4 3HG1 VAL 4 -3.318 -5.677 3.081 32 HG21 VAL 4 3HG2 VAL 4 -6.305 -4.767 2.538 33 HG22 VAL 4 1HG2 VAL 4 -4.951 -4.498 1.440 34 HG23 VAL 4 2HG2 VAL 4 -5.887 -3.129 2.037 35 H ALA 5 H ALA 5 -7.710 -2.622 4.530 36 HA ALA 5 HA ALA 5 -7.120 -0.006 3.336 37 HB1 ALA 5 3HB ALA 5 -9.523 0.002 2.709 38 HB2 ALA 5 1HB ALA 5 -9.660 -1.622 3.383 39 HB3 ALA 5 2HB ALA 5 -8.608 -1.326 1.998 40 H ILE 6 H ILE 6 -8.966 -1.538 5.961 41 HA ILE 6 HA ILE 6 -10.063 0.870 6.962 42 HB ILE 6 HB ILE 6 -10.390 -0.388 9.104 43 HG12 ILE 6 2HG1 ILE 6 -9.196 -2.706 7.571 44 HG13 ILE 6 1HG1 ILE 6 -8.356 -1.833 8.847 45 HG21 ILE 6 1HG2 ILE 6 -12.002 -1.996 8.161 46 HG22 ILE 6 2HG2 ILE 6 -11.295 -1.747 6.566 47 HG23 ILE 6 3HG2 ILE 6 -12.101 -0.413 7.390 48 HD11 ILE 6 3HD1 ILE 6 -10.069 -2.531 10.445 49 HD12 ILE 6 1HD1 ILE 6 -9.292 -3.912 9.673 50 HD13 ILE 6 2HD1 ILE 6 -10.902 -3.409 9.161 51 H ALA 7 H ALA 7 -7.001 -0.729 7.418 52 HA ALA 7 HA ALA 7 -6.149 0.734 9.686 53 HB1 ALA 7 3HB ALA 7 -3.911 -0.075 9.142 54 HB2 ALA 7 1HB ALA 7 -4.477 -0.607 7.560 55 HB3 ALA 7 2HB ALA 7 -5.097 -1.375 9.021 56 H SER 8 H SER 8 -5.874 1.265 6.213 57 HA SER 8 HA SER 8 -4.139 3.512 6.399 58 HB2 SER 8 2HB SER 8 -5.593 3.641 3.985 59 HB3 SER 8 1HB SER 8 -3.965 3.001 4.223 60 HG SER 8 HG SER 8 -4.730 1.013 4.175 61 H ASN 9 H ASN 9 -7.613 3.057 6.308 62 HA ASN 9 HA ASN 9 -8.402 5.701 5.817 63 HB2 ASN 9 2HB ASN 9 -9.877 3.640 5.829 64 HB3 ASN 9 1HB ASN 9 -9.869 3.737 7.587 65 HD21 ASN 9 1HD2 ASN 9 -11.991 4.190 7.880 66 HD22 ASN 9 2HD2 ASN 9 -12.752 5.644 7.335 67 H ILE 10 H ILE 10 -7.690 4.006 8.834 68 HA ILE 10 HA ILE 10 -8.200 6.348 10.449 69 HB ILE 10 HB ILE 10 -6.869 3.767 11.292 70 HG12 ILE 10 2HG1 ILE 10 -9.792 4.495 11.554 71 HG13 ILE 10 1HG1 ILE 10 -9.158 3.472 10.268 72 HG21 ILE 10 1HG2 ILE 10 -8.252 5.931 12.875 73 HG22 ILE 10 2HG2 ILE 10 -6.521 5.594 12.847 74 HG23 ILE 10 3HG2 ILE 10 -7.638 4.418 13.540 75 HD11 ILE 10 3HD1 ILE 10 -8.428 1.840 11.887 76 HD12 ILE 10 1HD1 ILE 10 -10.143 2.188 12.107 77 HD13 ILE 10 2HD1 ILE 10 -8.952 2.878 13.211 78 H GLY 11 H GLY 11 -5.430 4.638 9.121 79 HA2 GLY 11 2HA GLY 11 -3.396 5.942 10.577 80 HA3 GLY 11 1HA GLY 11 -3.198 5.155 9.018 81 H GLY 12 H GLY 12 -4.636 6.606 7.291 82 HA2 GLY 12 2HA GLY 12 -5.080 9.054 6.925 83 HA3 GLY 12 1HA GLY 12 -3.467 9.306 7.566 84 H LYS 13 H LYS 13 -2.777 6.678 6.019 85 HA LYS 13 HA LYS 13 -2.531 7.982 3.383 86 HB2 LYS 13 2HB LYS 13 -0.464 6.313 4.819 87 HB3 LYS 13 1HB LYS 13 -0.310 6.911 3.174 88 HG2 LYS 13 2HG LYS 13 0.500 8.842 3.898 89 HG3 LYS 13 1HG LYS 13 -0.910 9.089 4.931 90 HD2 LYS 13 2HD LYS 13 1.315 7.249 5.753 91 HD3 LYS 13 1HD LYS 13 1.420 8.989 6.034 92 HE2 LYS 13 2HE LYS 13 -0.235 8.973 7.603 93 HE3 LYS 13 1HE LYS 13 -1.069 7.606 6.872 94 HZ1 LYS 13 3HZ LYS 13 0.422 6.099 7.832 95 HZ2 LYS 13 1HZ LYS 13 0.055 7.198 9.067 96 HZ3 LYS 13 2HZ LYS 13 1.531 7.311 8.250 97 H GLN 14 H GLN 14 -3.739 6.915 2.004 98 HA GLN 14 HA GLN 14 -4.509 4.175 2.404 99 HB2 GLN 14 2HB GLN 14 -5.896 4.447 0.473 100 HB3 GLN 14 1HB GLN 14 -5.996 5.936 1.405 101 HG2 GLN 14 2HG GLN 14 -4.297 6.919 -0.125 102 HG3 GLN 14 1HG GLN 14 -4.410 5.462 -1.106 103 HE21 GLN 14 1HE2 GLN 14 -6.278 5.076 -2.297 104 HE22 GLN 14 2HE2 GLN 14 -7.444 6.318 -2.608 105 H ALA 15 H ALA 15 -1.750 5.526 1.202 106 HA ALA 15 HA ALA 15 -1.261 3.177 -0.510 107 HB1 ALA 15 3HB ALA 15 -0.140 5.948 -0.845 108 HB2 ALA 15 1HB ALA 15 -1.365 5.189 -1.856 109 HB3 ALA 15 2HB ALA 15 0.276 4.549 -1.830 110 H LEU 16 H LEU 16 -0.682 4.027 2.445 111 HA LEU 16 HA LEU 16 2.112 3.106 2.371 112 HB2 LEU 16 2HB LEU 16 0.980 5.444 3.755 113 HB3 LEU 16 1HB LEU 16 2.074 4.466 4.710 114 HG LEU 16 HG LEU 16 2.794 5.568 1.997 115 HD11 LEU 16 1HD1 LEU 16 3.377 6.709 4.722 116 HD12 LEU 16 2HD1 LEU 16 2.341 7.425 3.488 117 HD13 LEU 16 3HD1 LEU 16 4.076 7.273 3.205 118 HD21 LEU 16 3HD2 LEU 16 5.085 5.108 2.746 119 HD22 LEU 16 1HD2 LEU 16 4.105 3.643 2.689 120 HD23 LEU 16 2HD2 LEU 16 4.452 4.413 4.238 121 H GLU 17 H GLU 17 -0.752 3.397 4.497 122 HA GLU 17 HA GLU 17 0.093 1.400 6.312 123 HB2 GLU 17 2HB GLU 17 -2.518 2.688 5.646 124 HB3 GLU 17 1HB GLU 17 -2.532 1.237 6.633 125 HG2 GLU 17 2HG GLU 17 -2.559 3.038 8.129 126 HG3 GLU 17 1HG GLU 17 -0.913 2.409 8.168 127 H THR 18 H THR 18 -1.708 1.324 3.317 128 HA THR 18 HA THR 18 -2.595 -1.344 3.393 129 HB THR 18 HB THR 18 -1.918 0.065 0.828 130 HG1 THR 18 HG1 THR 18 -4.369 0.651 2.013 131 HG21 THR 18 3HG2 THR 18 -3.964 -0.961 0.052 132 HG22 THR 18 1HG2 THR 18 -4.336 -1.535 1.677 133 HG23 THR 18 2HG2 THR 18 -2.953 -2.194 0.804 134 H VAL 19 H VAL 19 0.200 0.113 1.690 135 HA VAL 19 HA VAL 19 1.227 -2.311 0.703 136 HB VAL 19 HB VAL 19 1.930 -0.232 -0.293 137 HG11 VAL 19 1HG1 VAL 19 1.830 1.117 1.785 138 HG12 VAL 19 2HG1 VAL 19 3.263 1.415 0.801 139 HG13 VAL 19 3HG1 VAL 19 3.382 0.424 2.254 140 HG21 VAL 19 3HG2 VAL 19 4.222 -1.655 1.049 141 HG22 VAL 19 1HG2 VAL 19 4.396 -0.507 -0.279 142 HG23 VAL 19 2HG2 VAL 19 3.516 -2.016 -0.527 143 H GLN 20 H GLN 20 1.708 -0.644 3.754 144 HA GLN 20 HA GLN 20 3.919 -2.100 4.681 145 HB2 GLN 20 2HB GLN 20 2.329 -0.043 5.641 146 HB3 GLN 20 1HB GLN 20 2.033 -1.355 6.774 147 HG2 GLN 20 2HG GLN 20 4.563 -1.572 6.939 148 HG3 GLN 20 1HG GLN 20 4.631 -0.018 6.107 149 HE21 GLN 20 1HE2 GLN 20 5.546 1.034 7.850 150 HE22 GLN 20 2HE2 GLN 20 4.658 1.396 9.288 151 H ARG 21 H ARG 21 0.503 -2.839 4.610 152 HA ARG 21 HA ARG 21 0.911 -5.209 6.262 153 HB2 ARG 21 2HB ARG 21 -1.052 -3.650 6.593 154 HB3 ARG 21 1HB ARG 21 -1.673 -4.226 5.054 155 HG2 ARG 21 2HG ARG 21 -2.737 -5.363 6.920 156 HG3 ARG 21 1HG ARG 21 -1.800 -6.490 5.938 157 HD2 ARG 21 2HD ARG 21 -1.528 -6.860 8.368 158 HD3 ARG 21 1HD ARG 21 -0.015 -6.488 7.550 159 HE ARG 21 HE ARG 21 -0.068 -4.308 8.532 160 HH11 ARG 21 1HH1 ARG 21 -2.518 -6.493 9.745 161 HH12 ARG 21 2HH1 ARG 21 -2.740 -5.624 11.227 162 HH21 ARG 21 1HH2 ARG 21 -0.371 -3.141 10.447 163 HH22 ARG 21 2HH2 ARG 21 -1.523 -3.694 11.627 164 H LEU 22 H LEU 22 0.728 -4.320 2.966 165 HA LEU 22 HA LEU 22 -0.097 -6.943 2.057 166 HB2 LEU 22 2HB LEU 22 0.744 -4.433 0.638 167 HB3 LEU 22 1HB LEU 22 0.474 -5.936 -0.221 168 HG LEU 22 HG LEU 22 -1.617 -4.538 1.449 169 HD11 LEU 22 1HD1 LEU 22 -1.149 -4.535 -1.529 170 HD12 LEU 22 2HD1 LEU 22 -1.098 -3.149 -0.437 171 HD13 LEU 22 3HD1 LEU 22 -2.627 -3.973 -0.747 172 HD21 LEU 22 3HD2 LEU 22 -2.017 -6.909 1.292 173 HD22 LEU 22 1HD2 LEU 22 -1.751 -6.877 -0.450 174 HD23 LEU 22 2HD2 LEU 22 -3.152 -6.063 0.242 175 H LEU 23 H LEU 23 2.825 -5.126 2.506 176 HA LEU 23 HA LEU 23 4.630 -6.468 0.928 177 HB2 LEU 23 2HB LEU 23 5.273 -4.494 2.111 178 HB3 LEU 23 1HB LEU 23 4.985 -5.256 3.660 179 HG LEU 23 HG LEU 23 6.875 -6.832 3.146 180 HD11 LEU 23 1HD1 LEU 23 8.450 -6.213 1.413 181 HD12 LEU 23 2HD1 LEU 23 7.407 -4.882 0.914 182 HD13 LEU 23 3HD1 LEU 23 6.866 -6.548 0.712 183 HD21 LEU 23 3HD2 LEU 23 7.494 -3.882 3.254 184 HD22 LEU 23 1HD2 LEU 23 8.621 -5.178 3.650 185 HD23 LEU 23 2HD2 LEU 23 7.176 -4.936 4.631 186 HA PRO 24 HA PRO 24 5.490 -9.733 4.427 187 HB2 PRO 24 2HB PRO 24 3.483 -10.138 6.237 188 HB3 PRO 24 1HB PRO 24 4.860 -9.068 6.524 189 HG2 PRO 24 2HG PRO 24 2.087 -8.384 5.623 190 HG3 PRO 24 1HG PRO 24 3.110 -7.568 6.820 191 HD2 PRO 24 2HD PRO 24 2.832 -6.619 4.328 192 HD3 PRO 24 1HD PRO 24 4.370 -6.501 5.206 193 H VAL 25 H VAL 25 2.719 -9.177 2.611 194 HA VAL 25 HA VAL 25 1.873 -11.984 2.690 195 HB VAL 25 HB VAL 25 0.535 -9.611 1.368 196 HG11 VAL 25 1HG1 VAL 25 -0.020 -11.631 0.190 197 HG12 VAL 25 2HG1 VAL 25 -1.406 -11.155 1.172 198 HG13 VAL 25 3HG1 VAL 25 -0.358 -12.472 1.703 199 HG21 VAL 25 3HG2 VAL 25 0.468 -9.430 3.788 200 HG22 VAL 25 1HG2 VAL 25 -0.140 -11.081 3.916 201 HG23 VAL 25 2HG2 VAL 25 -1.132 -9.832 3.164 202 H LEU 26 H LEU 26 2.506 -9.433 0.271 203 HA LEU 26 HA LEU 26 2.684 -11.253 -1.902 204 HB2 LEU 26 2HB LEU 26 3.221 -8.362 -1.492 205 HB3 LEU 26 1HB LEU 26 3.956 -9.126 -2.885 206 HG LEU 26 HG LEU 26 1.861 -8.057 -3.498 207 HD11 LEU 26 1HD1 LEU 26 0.859 -9.853 -4.682 208 HD12 LEU 26 2HD1 LEU 26 1.476 -11.040 -3.532 209 HD13 LEU 26 3HD1 LEU 26 2.589 -10.175 -4.595 210 HD21 LEU 26 3HD2 LEU 26 0.719 -8.158 -1.356 211 HD22 LEU 26 1HD2 LEU 26 0.590 -9.911 -1.488 212 HD23 LEU 26 2HD2 LEU 26 -0.276 -8.876 -2.624 213 H CYS 27 H CYS 27 5.092 -9.795 0.240 214 HA CYS 27 HA CYS 27 7.314 -10.743 -1.277 215 HB2 CYS 27 2HB CYS 27 7.105 -8.895 0.661 216 HB3 CYS 27 1HB CYS 27 7.652 -10.256 1.634 217 HG CYS 27 HG CYS 27 10.069 -10.566 0.444 218 H GLN 28 H GLN 28 5.182 -12.165 1.002 219 HA GLN 28 HA GLN 28 6.986 -14.321 1.694 220 HB2 GLN 28 2HB GLN 28 5.384 -13.495 3.358 221 HB3 GLN 28 1HB GLN 28 4.047 -13.930 2.302 222 HG2 GLN 28 2HG GLN 28 4.315 -16.193 2.667 223 HG3 GLN 28 1HG GLN 28 5.998 -16.018 3.162 224 HE21 GLN 28 1HE2 GLN 28 3.709 -17.336 4.481 225 HE22 GLN 28 2HE2 GLN 28 3.607 -16.612 6.050 226 H ALA 29 H ALA 29 4.114 -13.809 -0.289 227 HA ALA 29 HA ALA 29 3.851 -16.506 -1.130 228 HB1 ALA 29 3HB ALA 29 2.276 -15.636 -2.777 229 HB2 ALA 29 1HB ALA 29 2.808 -13.992 -2.425 230 HB3 ALA 29 2HB ALA 29 1.985 -14.936 -1.184 231 H HIS 30 H HIS 30 5.303 -13.647 -2.694 232 HA HIS 30 HA HIS 30 6.645 -15.518 -4.537 233 HB2 HIS 30 2HB HIS 30 5.155 -13.036 -5.100 234 HB3 HIS 30 1HB HIS 30 6.698 -13.183 -5.932 235 HD1 HIS 30 HD1 HIS 30 6.029 -13.781 -8.260 236 HD2 HIS 30 HD2 HIS 30 4.045 -16.066 -5.409 237 HE1 HIS 30 HE1 HIS 30 4.724 -15.492 -9.552 238 HE2 HIS 30 HE2 HIS 30 3.394 -16.742 -7.813 239 H GLY 31 H GLY 31 6.905 -12.301 -3.021 240 HA2 GLY 31 2HA GLY 31 8.865 -11.638 -1.824 241 HA3 GLY 31 1HA GLY 31 9.790 -12.794 -2.764 242 H LEU 32 H LEU 32 7.675 -11.000 -4.701 243 HA LEU 32 HA LEU 32 9.943 -9.426 -5.666 244 HB2 LEU 32 2HB LEU 32 8.992 -9.411 -7.751 245 HB3 LEU 32 1HB LEU 32 8.431 -10.951 -7.137 246 HG LEU 32 HG LEU 32 6.702 -8.516 -6.876 247 HD11 LEU 32 1HD1 LEU 32 6.930 -10.291 -9.298 248 HD12 LEU 32 2HD1 LEU 32 7.339 -8.579 -9.212 249 HD13 LEU 32 3HD1 LEU 32 5.663 -9.097 -9.024 250 HD21 LEU 32 3HD2 LEU 32 6.040 -10.526 -5.673 251 HD22 LEU 32 1HD2 LEU 32 6.115 -11.458 -7.167 252 HD23 LEU 32 2HD2 LEU 32 4.913 -10.183 -6.985 253 H THR 33 H THR 33 7.378 -9.035 -3.644 254 HA THR 33 HA THR 33 5.938 -7.327 -3.082 255 HB THR 33 HB THR 33 7.805 -7.072 -1.599 256 HG1 THR 33 HG1 THR 33 6.147 -5.441 -1.590 257 HG21 THR 33 3HG2 THR 33 9.628 -6.845 -3.200 258 HG22 THR 33 1HG2 THR 33 9.651 -5.519 -2.035 259 HG23 THR 33 2HG2 THR 33 9.038 -5.251 -3.668 260 HA PRO 34 HA PRO 34 5.752 -5.025 -7.087 261 HB2 PRO 34 2HB PRO 34 3.094 -5.413 -7.477 262 HB3 PRO 34 1HB PRO 34 4.319 -6.574 -7.998 263 HG2 PRO 34 2HG PRO 34 2.584 -6.618 -5.562 264 HG3 PRO 34 1HG PRO 34 3.025 -7.950 -6.646 265 HD2 PRO 34 2HD PRO 34 4.223 -7.544 -4.246 266 HD3 PRO 34 1HD PRO 34 5.067 -8.262 -5.630 267 H GLU 35 H GLU 35 3.707 -5.003 -4.224 268 HA GLU 35 HA GLU 35 2.393 -2.572 -4.650 269 HB2 GLU 35 2HB GLU 35 2.007 -2.565 -2.216 270 HB3 GLU 35 1HB GLU 35 1.662 -4.124 -2.943 271 HG2 GLU 35 2HG GLU 35 4.297 -3.546 -1.632 272 HG3 GLU 35 1HG GLU 35 2.898 -4.088 -0.707 273 H GLN 36 H GLN 36 5.620 -3.239 -3.459 274 HA GLN 36 HA GLN 36 6.036 -0.602 -2.427 275 HB2 GLN 36 2HB GLN 36 7.236 -2.742 -1.725 276 HB3 GLN 36 1HB GLN 36 8.203 -2.548 -3.181 277 HG2 GLN 36 2HG GLN 36 9.126 -0.519 -2.414 278 HG3 GLN 36 1HG GLN 36 7.956 -0.395 -1.104 279 HE21 GLN 36 1HE2 GLN 36 10.915 -0.432 -1.126 280 HE22 GLN 36 2HE2 GLN 36 11.360 -1.695 -0.035 281 H VAL 37 H VAL 37 6.037 -1.864 -5.601 282 HA VAL 37 HA VAL 37 7.697 0.407 -6.474 283 HB VAL 37 HB VAL 37 8.089 -0.762 -8.590 284 HG11 VAL 37 1HG1 VAL 37 9.693 -0.983 -6.780 285 HG12 VAL 37 2HG1 VAL 37 9.608 -2.474 -7.721 286 HG13 VAL 37 3HG1 VAL 37 8.810 -2.374 -6.150 287 HG21 VAL 37 3HG2 VAL 37 7.535 -3.179 -8.760 288 HG22 VAL 37 1HG2 VAL 37 6.120 -2.128 -8.775 289 HG23 VAL 37 2HG2 VAL 37 6.544 -3.015 -7.311 290 H VAL 38 H VAL 38 4.495 -0.775 -6.463 291 HA VAL 38 HA VAL 38 3.856 1.102 -8.635 292 HB VAL 38 HB VAL 38 3.209 -1.218 -9.154 293 HG11 VAL 38 1HG1 VAL 38 2.691 -2.041 -6.934 294 HG12 VAL 38 2HG1 VAL 38 1.311 -2.258 -8.012 295 HG13 VAL 38 3HG1 VAL 38 1.311 -0.947 -6.832 296 HG21 VAL 38 3HG2 VAL 38 2.006 0.709 -10.103 297 HG22 VAL 38 1HG2 VAL 38 0.838 0.603 -8.787 298 HG23 VAL 38 2HG2 VAL 38 0.984 -0.721 -9.945 299 H ALA 39 H ALA 39 2.639 -0.050 -5.471 300 HA ALA 39 HA ALA 39 0.700 2.033 -5.267 301 HB1 ALA 39 3HB ALA 39 0.419 1.292 -2.959 302 HB2 ALA 39 1HB ALA 39 1.871 0.296 -3.092 303 HB3 ALA 39 2HB ALA 39 0.448 -0.083 -4.064 304 H ILE 40 H ILE 40 3.892 1.492 -3.806 305 HA ILE 40 HA ILE 40 4.035 3.887 -2.358 306 HB ILE 40 HB ILE 40 6.169 2.096 -3.500 307 HG12 ILE 40 2HG1 ILE 40 4.795 1.261 -1.619 308 HG13 ILE 40 1HG1 ILE 40 6.495 1.425 -1.193 309 HG21 ILE 40 1HG2 ILE 40 7.833 3.324 -2.189 310 HG22 ILE 40 2HG2 ILE 40 6.608 4.512 -1.750 311 HG23 ILE 40 3HG2 ILE 40 7.110 4.341 -3.433 312 HD11 ILE 40 3HD1 ILE 40 5.236 2.212 0.646 313 HD12 ILE 40 1HD1 ILE 40 4.203 3.198 -0.390 314 HD13 ILE 40 2HD1 ILE 40 5.894 3.637 -0.158 315 H ALA 41 H ALA 41 4.985 3.091 -5.665 316 HA ALA 41 HA ALA 41 6.227 5.521 -6.313 317 HB1 ALA 41 3HB ALA 41 6.005 4.854 -8.620 318 HB2 ALA 41 1HB ALA 41 4.777 3.667 -8.194 319 HB3 ALA 41 2HB ALA 41 6.438 3.451 -7.643 320 H SER 42 H SER 42 2.850 4.474 -6.644 321 HA SER 42 HA SER 42 1.926 6.753 -8.007 322 HB2 SER 42 2HB SER 42 0.393 4.932 -6.134 323 HB3 SER 42 1HB SER 42 -0.313 6.029 -7.320 324 HG SER 42 HG SER 42 1.196 3.671 -7.760 325 H HIS 43 H HIS 43 2.418 6.103 -4.584 326 HA HIS 43 HA HIS 43 1.111 8.542 -3.774 327 HB2 HIS 43 2HB HIS 43 1.145 6.508 -2.330 328 HB3 HIS 43 1HB HIS 43 2.879 6.723 -2.125 329 HD1 HIS 43 HD1 HIS 43 -0.381 7.854 -0.814 330 HD2 HIS 43 HD2 HIS 43 3.583 9.102 -0.624 331 HE1 HIS 43 HE1 HIS 43 -0.273 9.477 1.092 332 HE2 HIS 43 HE2 HIS 43 2.052 10.429 0.983 333 H ASP 44 H ASP 44 4.399 7.405 -4.267 334 HA ASP 44 HA ASP 44 5.707 9.671 -3.174 335 HB2 ASP 44 2HB ASP 44 6.878 7.552 -3.478 336 HB3 ASP 44 1HB ASP 44 6.679 7.665 -5.224 337 H GLY 45 H GLY 45 4.897 8.774 -6.515 338 HA2 GLY 45 2HA GLY 45 5.375 11.595 -7.260 339 HA3 GLY 45 1HA GLY 45 5.702 10.241 -8.332 340 H GLY 46 H GLY 46 3.256 12.277 -6.941 341 HA2 GLY 46 2HA GLY 46 1.513 12.649 -8.820 342 HA3 GLY 46 1HA GLY 46 1.192 10.942 -8.559 343 H LYS 47 H LYS 47 0.630 10.322 -6.306 344 HA LYS 47 HA LYS 47 -1.490 12.019 -5.377 345 HB2 LYS 47 2HB LYS 47 -1.431 9.450 -5.469 346 HB3 LYS 47 1HB LYS 47 -0.485 9.544 -3.994 347 HG2 LYS 47 2HG LYS 47 -2.524 9.321 -3.056 348 HG3 LYS 47 1HG LYS 47 -2.524 11.074 -3.249 349 HD2 LYS 47 2HD LYS 47 -4.173 11.019 -4.773 350 HD3 LYS 47 1HD LYS 47 -3.480 9.630 -5.609 351 HE2 LYS 47 2HE LYS 47 -5.716 9.200 -4.604 352 HE3 LYS 47 1HE LYS 47 -4.451 8.111 -4.039 353 HZ1 LYS 47 3HZ LYS 47 -5.942 8.980 -2.266 354 HZ2 LYS 47 1HZ LYS 47 -5.322 10.528 -2.559 355 HZ3 LYS 47 2HZ LYS 47 -4.297 9.297 -1.999 356 H GLN 48 H GLN 48 1.755 12.101 -4.823 357 HA GLN 48 HA GLN 48 2.079 12.372 -2.073 358 HB2 GLN 48 2HB GLN 48 3.864 12.268 -3.883 359 HB3 GLN 48 1HB GLN 48 3.583 13.984 -4.123 360 HG2 GLN 48 2HG GLN 48 5.466 13.775 -2.713 361 HG3 GLN 48 1HG GLN 48 4.124 14.330 -1.711 362 HE21 GLN 48 1HE2 GLN 48 6.278 11.706 -2.427 363 HE22 GLN 48 2HE2 GLN 48 5.893 10.748 -1.038 364 H ALA 49 H ALA 49 1.186 14.805 -4.487 365 HA ALA 49 HA ALA 49 0.851 16.801 -2.371 366 HB1 ALA 49 3HB ALA 49 0.645 18.429 -4.161 367 HB2 ALA 49 1HB ALA 49 0.659 17.139 -5.365 368 HB3 ALA 49 2HB ALA 49 2.095 17.453 -4.390 369 H LEU 50 H LEU 50 -0.951 14.417 -3.057 370 HA LEU 50 HA LEU 50 -3.457 15.960 -3.262 371 HB2 LEU 50 2HB LEU 50 -2.532 13.582 -4.699 372 HB3 LEU 50 1HB LEU 50 -4.130 13.400 -4.013 373 HG LEU 50 HG LEU 50 -4.307 14.131 -6.301 374 HD11 LEU 50 1HD1 LEU 50 -5.667 16.112 -6.024 375 HD12 LEU 50 2HD1 LEU 50 -4.957 16.403 -4.437 376 HD13 LEU 50 3HD1 LEU 50 -5.954 14.974 -4.709 377 HD21 LEU 50 3HD2 LEU 50 -3.417 16.293 -7.038 378 HD22 LEU 50 1HD2 LEU 50 -2.137 15.183 -6.547 379 HD23 LEU 50 2HD2 LEU 50 -2.627 16.490 -5.473 380 H GLU 51 H GLU 51 -1.724 13.340 -1.733 381 HA GLU 51 HA GLU 51 -3.978 12.749 0.023 382 HB2 GLU 51 2HB GLU 51 -2.221 11.086 -1.127 383 HB3 GLU 51 1HB GLU 51 -1.340 11.423 0.355 384 HG2 GLU 51 2HG GLU 51 -2.931 10.417 1.689 385 HG3 GLU 51 1HG GLU 51 -4.200 10.580 0.476 Start of MODEL 18 1 H1 GLU 1 1HT GLU 1 -15.859 -3.320 2.795 2 H2 GLU 1 2HT GLU 1 -15.508 -4.745 3.629 3 H3 GLU 1 3HT GLU 1 -14.971 -4.544 2.042 4 HA GLU 1 HA GLU 1 -13.485 -2.817 2.673 5 HB2 GLU 1 2HB GLU 1 -13.226 -2.222 5.060 6 HB3 GLU 1 1HB GLU 1 -14.812 -1.802 4.432 7 HG2 GLU 1 2HG GLU 1 -15.476 -4.144 5.398 8 HG3 GLU 1 1HG GLU 1 -14.047 -3.899 6.400 9 H GLN 2 H GLN 2 -11.365 -3.247 3.596 10 HA GLN 2 HA GLN 2 -10.993 -6.020 4.470 11 HB2 GLN 2 2HB GLN 2 -9.002 -6.203 2.997 12 HB3 GLN 2 1HB GLN 2 -10.507 -6.045 2.101 13 HG2 GLN 2 2HG GLN 2 -9.086 -3.532 2.666 14 HG3 GLN 2 1HG GLN 2 -8.270 -4.646 1.574 15 HE21 GLN 2 1HE2 GLN 2 -8.521 -3.402 -0.238 16 HE22 GLN 2 2HE2 GLN 2 -10.056 -3.113 -0.982 17 H VAL 3 H VAL 3 -8.676 -6.339 5.278 18 HA VAL 3 HA VAL 3 -8.214 -4.536 7.382 19 HB VAL 3 HB VAL 3 -6.102 -5.760 7.774 20 HG11 VAL 3 1HG1 VAL 3 -7.127 -7.935 8.236 21 HG12 VAL 3 2HG1 VAL 3 -8.496 -7.504 7.212 22 HG13 VAL 3 3HG1 VAL 3 -8.182 -6.602 8.694 23 HG21 VAL 3 3HG2 VAL 3 -6.801 -7.078 5.159 24 HG22 VAL 3 1HG2 VAL 3 -5.714 -7.814 6.339 25 HG23 VAL 3 2HG2 VAL 3 -5.303 -6.261 5.607 26 H VAL 4 H VAL 4 -6.754 -4.789 4.192 27 HA VAL 4 HA VAL 4 -4.750 -2.799 4.770 28 HB VAL 4 HB VAL 4 -4.147 -2.973 2.397 29 HG11 VAL 4 1HG1 VAL 4 -3.224 -4.559 4.018 30 HG12 VAL 4 2HG1 VAL 4 -3.401 -5.288 2.427 31 HG13 VAL 4 3HG1 VAL 4 -4.561 -5.662 3.699 32 HG21 VAL 4 3HG2 VAL 4 -6.370 -4.994 2.161 33 HG22 VAL 4 1HG2 VAL 4 -5.267 -4.468 0.889 34 HG23 VAL 4 2HG2 VAL 4 -6.457 -3.343 1.546 35 H ALA 5 H ALA 5 -7.800 -2.319 4.774 36 HA ALA 5 HA ALA 5 -7.701 0.171 3.210 37 HB1 ALA 5 3HB ALA 5 -10.099 -0.050 2.781 38 HB2 ALA 5 1HB ALA 5 -10.105 -1.608 3.606 39 HB3 ALA 5 2HB ALA 5 -9.196 -1.406 2.109 40 H ILE 6 H ILE 6 -9.298 -1.496 5.926 41 HA ILE 6 HA ILE 6 -10.365 0.841 7.086 42 HB ILE 6 HB ILE 6 -10.476 -0.552 9.210 43 HG12 ILE 6 2HG1 ILE 6 -9.419 -2.673 7.322 44 HG13 ILE 6 1HG1 ILE 6 -8.618 -2.073 8.770 45 HG21 ILE 6 1HG2 ILE 6 -12.271 -1.968 8.321 46 HG22 ILE 6 2HG2 ILE 6 -11.716 -1.631 6.682 47 HG23 ILE 6 3HG2 ILE 6 -12.348 -0.326 7.685 48 HD11 ILE 6 3HD1 ILE 6 -10.444 -2.989 10.127 49 HD12 ILE 6 1HD1 ILE 6 -9.610 -4.225 9.189 50 HD13 ILE 6 2HD1 ILE 6 -11.187 -3.635 8.664 51 H ALA 7 H ALA 7 -7.327 -0.896 7.656 52 HA ALA 7 HA ALA 7 -6.443 0.655 9.829 53 HB1 ALA 7 3HB ALA 7 -4.224 -0.239 9.341 54 HB2 ALA 7 1HB ALA 7 -4.797 -0.818 7.775 55 HB3 ALA 7 2HB ALA 7 -5.454 -1.503 9.264 56 H SER 8 H SER 8 -5.947 0.963 6.345 57 HA SER 8 HA SER 8 -4.219 3.172 6.416 58 HB2 SER 8 2HB SER 8 -6.097 2.868 4.129 59 HB3 SER 8 1HB SER 8 -4.341 3.074 4.131 60 HG SER 8 HG SER 8 -5.242 0.914 3.532 61 H ASN 9 H ASN 9 -7.705 2.895 6.432 62 HA ASN 9 HA ASN 9 -8.355 5.590 5.944 63 HB2 ASN 9 2HB ASN 9 -10.083 3.950 5.758 64 HB3 ASN 9 1HB ASN 9 -9.815 3.378 7.399 65 HD21 ASN 9 1HD2 ASN 9 -10.834 4.346 9.052 66 HD22 ASN 9 2HD2 ASN 9 -11.945 5.657 8.876 67 H ILE 10 H ILE 10 -7.508 3.846 8.863 68 HA ILE 10 HA ILE 10 -8.045 6.105 10.588 69 HB ILE 10 HB ILE 10 -6.651 3.493 11.203 70 HG12 ILE 10 2HG1 ILE 10 -9.498 4.318 11.814 71 HG13 ILE 10 1HG1 ILE 10 -9.045 3.316 10.439 72 HG21 ILE 10 1HG2 ILE 10 -7.168 4.060 13.556 73 HG22 ILE 10 2HG2 ILE 10 -7.736 5.642 13.020 74 HG23 ILE 10 3HG2 ILE 10 -6.045 5.192 12.805 75 HD11 ILE 10 3HD1 ILE 10 -8.570 2.615 13.324 76 HD12 ILE 10 1HD1 ILE 10 -8.225 1.599 11.927 77 HD13 ILE 10 2HD1 ILE 10 -9.892 2.010 12.326 78 H GLY 11 H GLY 11 -5.238 4.460 9.205 79 HA2 GLY 11 2HA GLY 11 -3.235 5.907 10.554 80 HA3 GLY 11 1HA GLY 11 -3.039 5.089 9.011 81 H GLY 12 H GLY 12 -4.871 6.530 7.478 82 HA2 GLY 12 2HA GLY 12 -5.355 8.871 6.956 83 HA3 GLY 12 1HA GLY 12 -3.760 9.266 7.579 84 H LYS 13 H LYS 13 -2.538 6.911 6.250 85 HA LYS 13 HA LYS 13 -2.436 8.086 3.554 86 HB2 LYS 13 2HB LYS 13 -0.417 6.456 5.090 87 HB3 LYS 13 1HB LYS 13 -0.236 6.862 3.389 88 HG2 LYS 13 2HG LYS 13 0.969 8.559 4.293 89 HG3 LYS 13 1HG LYS 13 -0.622 9.313 4.327 90 HD2 LYS 13 2HD LYS 13 0.389 9.679 6.455 91 HD3 LYS 13 1HD LYS 13 -0.880 8.467 6.670 92 HE2 LYS 13 2HE LYS 13 1.321 6.939 6.077 93 HE3 LYS 13 1HE LYS 13 2.009 8.244 7.042 94 HZ1 LYS 13 3HZ LYS 13 1.321 6.425 8.441 95 HZ2 LYS 13 1HZ LYS 13 -0.257 6.488 7.825 96 HZ3 LYS 13 2HZ LYS 13 0.353 7.772 8.755 97 H GLN 14 H GLN 14 -3.848 7.074 2.344 98 HA GLN 14 HA GLN 14 -4.710 4.427 2.598 99 HB2 GLN 14 2HB GLN 14 -5.640 4.753 0.300 100 HB3 GLN 14 1HB GLN 14 -6.080 6.009 1.447 101 HG2 GLN 14 2HG GLN 14 -4.492 7.529 0.499 102 HG3 GLN 14 1HG GLN 14 -3.834 6.265 -0.538 103 HE21 GLN 14 1HE2 GLN 14 -6.415 5.156 -1.231 104 HE22 GLN 14 2HE2 GLN 14 -7.158 6.280 -2.315 105 H ALA 15 H ALA 15 -1.978 5.759 0.872 106 HA ALA 15 HA ALA 15 -1.570 3.203 -0.494 107 HB1 ALA 15 3HB ALA 15 -0.291 5.891 -0.899 108 HB2 ALA 15 1HB ALA 15 -1.483 5.105 -1.932 109 HB3 ALA 15 2HB ALA 15 0.144 4.435 -1.795 110 H LEU 16 H LEU 16 -0.583 4.584 2.379 111 HA LEU 16 HA LEU 16 2.047 3.271 2.209 112 HB2 LEU 16 2HB LEU 16 1.067 5.399 4.098 113 HB3 LEU 16 1HB LEU 16 2.600 4.571 4.276 114 HG LEU 16 HG LEU 16 1.782 6.408 2.024 115 HD11 LEU 16 1HD1 LEU 16 4.122 6.658 3.882 116 HD12 LEU 16 2HD1 LEU 16 2.540 7.324 4.273 117 HD13 LEU 16 3HD1 LEU 16 3.402 7.887 2.843 118 HD21 LEU 16 3HD2 LEU 16 4.116 6.033 1.210 119 HD22 LEU 16 1HD2 LEU 16 3.043 4.650 1.019 120 HD23 LEU 16 2HD2 LEU 16 4.226 4.673 2.325 121 H GLU 17 H GLU 17 -0.829 3.537 4.264 122 HA GLU 17 HA GLU 17 0.108 1.648 6.170 123 HB2 GLU 17 2HB GLU 17 -2.447 3.026 5.589 124 HB3 GLU 17 1HB GLU 17 -2.557 1.528 6.501 125 HG2 GLU 17 2HG GLU 17 -2.457 3.350 8.033 126 HG3 GLU 17 1HG GLU 17 -0.939 2.458 8.129 127 H THR 18 H THR 18 -1.383 1.395 3.084 128 HA THR 18 HA THR 18 -2.340 -1.284 3.456 129 HB THR 18 HB THR 18 -3.298 0.496 1.857 130 HG1 THR 18 HG1 THR 18 -4.308 -1.347 1.542 131 HG21 THR 18 3HG2 THR 18 -1.121 -0.612 0.084 132 HG22 THR 18 1HG2 THR 18 -1.238 1.047 0.672 133 HG23 THR 18 2HG2 THR 18 -2.453 0.418 -0.441 134 H VAL 19 H VAL 19 0.553 0.204 2.029 135 HA VAL 19 HA VAL 19 1.491 -2.213 0.841 136 HB VAL 19 HB VAL 19 2.241 -0.063 -0.021 137 HG11 VAL 19 1HG1 VAL 19 2.306 1.189 2.071 138 HG12 VAL 19 2HG1 VAL 19 3.819 1.337 1.182 139 HG13 VAL 19 3HG1 VAL 19 3.719 0.269 2.581 140 HG21 VAL 19 3HG2 VAL 19 4.516 -1.663 1.134 141 HG22 VAL 19 1HG2 VAL 19 4.632 -0.529 -0.211 142 HG23 VAL 19 2HG2 VAL 19 3.672 -1.996 -0.375 143 H GLN 20 H GLN 20 1.967 -0.686 3.976 144 HA GLN 20 HA GLN 20 4.127 -2.289 4.827 145 HB2 GLN 20 2HB GLN 20 1.989 -0.847 6.396 146 HB3 GLN 20 1HB GLN 20 3.378 -1.632 7.138 147 HG2 GLN 20 2HG GLN 20 4.826 -0.140 5.700 148 HG3 GLN 20 1HG GLN 20 3.354 0.754 5.315 149 HE21 GLN 20 1HE2 GLN 20 4.024 2.629 6.324 150 HE22 GLN 20 2HE2 GLN 20 4.169 2.771 8.039 151 H ARG 21 H ARG 21 0.739 -2.900 4.581 152 HA ARG 21 HA ARG 21 0.929 -5.278 6.265 153 HB2 ARG 21 2HB ARG 21 -0.980 -3.636 6.474 154 HB3 ARG 21 1HB ARG 21 -1.515 -4.174 4.889 155 HG2 ARG 21 2HG ARG 21 -2.794 -5.327 6.536 156 HG3 ARG 21 1HG ARG 21 -1.681 -6.485 5.803 157 HD2 ARG 21 2HD ARG 21 -1.724 -6.804 8.199 158 HD3 ARG 21 1HD ARG 21 -0.153 -6.187 7.710 159 HE ARG 21 HE ARG 21 -0.764 -4.053 8.613 160 HH11 ARG 21 1HH1 ARG 21 -2.981 -6.653 9.386 161 HH12 ARG 21 2HH1 ARG 21 -3.643 -5.837 10.765 162 HH21 ARG 21 1HH2 ARG 21 -1.624 -2.996 10.426 163 HH22 ARG 21 2HH2 ARG 21 -2.862 -3.766 11.370 164 H LEU 22 H LEU 22 0.649 -4.322 2.922 165 HA LEU 22 HA LEU 22 -0.094 -6.947 2.000 166 HB2 LEU 22 2HB LEU 22 0.662 -4.384 0.635 167 HB3 LEU 22 1HB LEU 22 0.513 -5.875 -0.274 168 HG LEU 22 HG LEU 22 -1.708 -4.670 1.378 169 HD11 LEU 22 1HD1 LEU 22 -1.217 -4.576 -1.596 170 HD12 LEU 22 2HD1 LEU 22 -1.161 -3.211 -0.482 171 HD13 LEU 22 3HD1 LEU 22 -2.687 -4.038 -0.786 172 HD21 LEU 22 3HD2 LEU 22 -1.921 -7.071 1.125 173 HD22 LEU 22 1HD2 LEU 22 -1.654 -6.935 -0.612 174 HD23 LEU 22 2HD2 LEU 22 -3.110 -6.256 0.110 175 H LEU 23 H LEU 23 2.861 -5.060 2.205 176 HA LEU 23 HA LEU 23 4.581 -6.454 0.612 177 HB2 LEU 23 2HB LEU 23 5.150 -4.407 1.840 178 HB3 LEU 23 1HB LEU 23 5.216 -5.319 3.332 179 HG LEU 23 HG LEU 23 6.962 -6.515 1.379 180 HD11 LEU 23 1HD1 LEU 23 8.577 -4.694 1.190 181 HD12 LEU 23 2HD1 LEU 23 7.444 -3.601 1.983 182 HD13 LEU 23 3HD1 LEU 23 7.052 -4.285 0.404 183 HD21 LEU 23 3HD2 LEU 23 7.498 -5.131 4.007 184 HD22 LEU 23 1HD2 LEU 23 8.604 -6.206 3.151 185 HD23 LEU 23 2HD2 LEU 23 7.092 -6.835 3.805 186 HA PRO 24 HA PRO 24 5.707 -9.580 4.184 187 HB2 PRO 24 2HB PRO 24 3.678 -10.061 5.970 188 HB3 PRO 24 1HB PRO 24 5.039 -8.975 6.279 189 HG2 PRO 24 2HG PRO 24 2.268 -8.326 5.347 190 HG3 PRO 24 1HG PRO 24 3.266 -7.498 6.557 191 HD2 PRO 24 2HD PRO 24 3.022 -6.519 4.083 192 HD3 PRO 24 1HD PRO 24 4.574 -6.450 4.948 193 H VAL 25 H VAL 25 2.547 -9.208 2.771 194 HA VAL 25 HA VAL 25 2.017 -12.060 2.771 195 HB VAL 25 HB VAL 25 0.486 -9.819 1.437 196 HG11 VAL 25 1HG1 VAL 25 0.063 -11.977 0.390 197 HG12 VAL 25 2HG1 VAL 25 -1.350 -11.433 1.297 198 HG13 VAL 25 3HG1 VAL 25 -0.299 -12.683 1.968 199 HG21 VAL 25 3HG2 VAL 25 0.503 -9.539 3.847 200 HG22 VAL 25 1HG2 VAL 25 0.013 -11.219 4.068 201 HG23 VAL 25 2HG2 VAL 25 -1.092 -10.071 3.311 202 H LEU 26 H LEU 26 2.662 -9.511 0.371 203 HA LEU 26 HA LEU 26 2.720 -11.302 -1.833 204 HB2 LEU 26 2HB LEU 26 3.583 -8.467 -1.423 205 HB3 LEU 26 1HB LEU 26 4.046 -9.312 -2.886 206 HG LEU 26 HG LEU 26 2.115 -8.154 -3.495 207 HD11 LEU 26 1HD1 LEU 26 0.559 -9.799 -4.088 208 HD12 LEU 26 2HD1 LEU 26 0.911 -10.771 -2.664 209 HD13 LEU 26 3HD1 LEU 26 2.095 -10.652 -3.962 210 HD21 LEU 26 3HD2 LEU 26 1.458 -7.460 -1.244 211 HD22 LEU 26 1HD2 LEU 26 0.808 -9.072 -0.940 212 HD23 LEU 26 2HD2 LEU 26 0.080 -8.047 -2.176 213 H CYS 27 H CYS 27 5.147 -10.188 0.430 214 HA CYS 27 HA CYS 27 7.326 -11.262 -1.092 215 HB2 CYS 27 2HB CYS 27 7.108 -10.170 1.706 216 HB3 CYS 27 1HB CYS 27 8.608 -10.847 1.078 217 HG CYS 27 HG CYS 27 8.288 -7.896 1.064 218 H GLN 28 H GLN 28 5.028 -12.531 1.088 219 HA GLN 28 HA GLN 28 6.656 -14.773 1.930 220 HB2 GLN 28 2HB GLN 28 4.799 -13.633 3.293 221 HB3 GLN 28 1HB GLN 28 3.673 -14.499 2.261 222 HG2 GLN 28 2HG GLN 28 4.631 -16.622 2.996 223 HG3 GLN 28 1HG GLN 28 5.756 -15.750 4.036 224 HE21 GLN 28 1HE2 GLN 28 3.716 -17.717 4.736 225 HE22 GLN 28 2HE2 GLN 28 2.660 -16.933 5.860 226 H ALA 29 H ALA 29 4.166 -14.084 -0.445 227 HA ALA 29 HA ALA 29 4.048 -16.894 -1.237 228 HB1 ALA 29 3HB ALA 29 2.155 -16.265 -2.605 229 HB2 ALA 29 1HB ALA 29 2.442 -14.560 -2.256 230 HB3 ALA 29 2HB ALA 29 1.949 -15.652 -0.964 231 H HIS 30 H HIS 30 5.457 -13.903 -2.273 232 HA HIS 30 HA HIS 30 6.455 -15.289 -4.665 233 HB2 HIS 30 2HB HIS 30 4.931 -12.774 -4.555 234 HB3 HIS 30 1HB HIS 30 6.407 -12.690 -5.512 235 HD1 HIS 30 HD1 HIS 30 6.396 -13.821 -7.774 236 HD2 HIS 30 HD2 HIS 30 3.010 -14.664 -5.518 237 HE1 HIS 30 HE1 HIS 30 4.789 -14.930 -9.358 238 HE2 HIS 30 HE2 HIS 30 2.681 -15.248 -8.015 239 H GLY 31 H GLY 31 6.928 -12.101 -3.119 240 HA2 GLY 31 2HA GLY 31 8.944 -11.637 -1.851 241 HA3 GLY 31 1HA GLY 31 9.781 -12.806 -2.852 242 H LEU 32 H LEU 32 7.693 -10.782 -4.632 243 HA LEU 32 HA LEU 32 10.029 -9.243 -5.523 244 HB2 LEU 32 2HB LEU 32 9.054 -9.048 -7.654 245 HB3 LEU 32 1HB LEU 32 8.776 -10.710 -7.171 246 HG LEU 32 HG LEU 32 6.493 -9.365 -6.320 247 HD11 LEU 32 1HD1 LEU 32 7.303 -8.407 -9.060 248 HD12 LEU 32 2HD1 LEU 32 7.110 -7.408 -7.620 249 HD13 LEU 32 3HD1 LEU 32 5.709 -8.206 -8.335 250 HD21 LEU 32 3HD2 LEU 32 6.600 -11.609 -7.265 251 HD22 LEU 32 1HD2 LEU 32 6.947 -10.927 -8.851 252 HD23 LEU 32 2HD2 LEU 32 5.391 -10.622 -8.085 253 H THR 33 H THR 33 7.188 -8.985 -3.791 254 HA THR 33 HA THR 33 5.735 -7.330 -3.226 255 HB THR 33 HB THR 33 7.489 -7.075 -1.607 256 HG1 THR 33 HG1 THR 33 5.711 -5.504 -1.761 257 HG21 THR 33 3HG2 THR 33 9.423 -6.674 -3.023 258 HG22 THR 33 1HG2 THR 33 9.267 -5.382 -1.834 259 HG23 THR 33 2HG2 THR 33 8.776 -5.105 -3.506 260 HA PRO 34 HA PRO 34 5.640 -5.041 -7.216 261 HB2 PRO 34 2HB PRO 34 2.913 -5.214 -7.425 262 HB3 PRO 34 1HB PRO 34 4.032 -6.416 -8.073 263 HG2 PRO 34 2HG PRO 34 2.451 -6.464 -5.542 264 HG3 PRO 34 1HG PRO 34 2.795 -7.785 -6.671 265 HD2 PRO 34 2HD PRO 34 4.106 -7.490 -4.327 266 HD3 PRO 34 1HD PRO 34 4.881 -8.174 -5.770 267 H GLU 35 H GLU 35 3.625 -4.744 -4.324 268 HA GLU 35 HA GLU 35 2.622 -2.166 -4.833 269 HB2 GLU 35 2HB GLU 35 2.282 -2.062 -2.334 270 HB3 GLU 35 1HB GLU 35 1.554 -3.442 -3.137 271 HG2 GLU 35 2HG GLU 35 4.214 -3.574 -1.746 272 HG3 GLU 35 1HG GLU 35 2.685 -3.895 -0.932 273 H GLN 36 H GLN 36 5.710 -3.246 -3.641 274 HA GLN 36 HA GLN 36 6.493 -0.766 -2.485 275 HB2 GLN 36 2HB GLN 36 7.510 -3.102 -2.112 276 HB3 GLN 36 1HB GLN 36 8.402 -2.807 -3.598 277 HG2 GLN 36 2HG GLN 36 8.537 -0.680 -1.563 278 HG3 GLN 36 1HG GLN 36 9.318 -2.204 -1.149 279 HE21 GLN 36 1HE2 GLN 36 10.447 0.447 -1.714 280 HE22 GLN 36 2HE2 GLN 36 11.582 0.204 -2.997 281 H VAL 37 H VAL 37 6.487 -2.014 -5.741 282 HA VAL 37 HA VAL 37 8.139 0.240 -6.605 283 HB VAL 37 HB VAL 37 8.368 -0.850 -8.758 284 HG11 VAL 37 1HG1 VAL 37 9.934 -1.423 -6.981 285 HG12 VAL 37 2HG1 VAL 37 9.663 -2.793 -8.055 286 HG13 VAL 37 3HG1 VAL 37 8.885 -2.748 -6.474 287 HG21 VAL 37 3HG2 VAL 37 7.482 -3.117 -9.142 288 HG22 VAL 37 1HG2 VAL 37 6.198 -1.923 -8.941 289 HG23 VAL 37 2HG2 VAL 37 6.602 -3.014 -7.616 290 H VAL 38 H VAL 38 4.814 -0.862 -6.716 291 HA VAL 38 HA VAL 38 4.282 1.287 -8.653 292 HB VAL 38 HB VAL 38 3.517 -0.938 -9.378 293 HG11 VAL 38 1HG1 VAL 38 2.929 -1.922 -7.240 294 HG12 VAL 38 2HG1 VAL 38 1.554 -1.975 -8.344 295 HG13 VAL 38 3HG1 VAL 38 1.606 -0.772 -7.055 296 HG21 VAL 38 3HG2 VAL 38 1.251 -0.259 -10.044 297 HG22 VAL 38 1HG2 VAL 38 2.429 1.037 -10.246 298 HG23 VAL 38 2HG2 VAL 38 1.319 1.060 -8.876 299 H ALA 39 H ALA 39 2.897 -0.059 -5.626 300 HA ALA 39 HA ALA 39 1.030 2.040 -5.281 301 HB1 ALA 39 3HB ALA 39 0.794 -0.120 -4.152 302 HB2 ALA 39 1HB ALA 39 0.776 1.216 -3.001 303 HB3 ALA 39 2HB ALA 39 2.228 0.230 -3.184 304 H ILE 40 H ILE 40 4.265 1.482 -3.935 305 HA ILE 40 HA ILE 40 4.403 3.803 -2.371 306 HB ILE 40 HB ILE 40 6.564 2.175 -3.704 307 HG12 ILE 40 2HG1 ILE 40 5.244 1.110 -1.887 308 HG13 ILE 40 1HG1 ILE 40 6.948 1.285 -1.488 309 HG21 ILE 40 1HG2 ILE 40 8.195 3.339 -2.305 310 HG22 ILE 40 2HG2 ILE 40 6.931 4.422 -1.723 311 HG23 ILE 40 3HG2 ILE 40 7.403 4.448 -3.424 312 HD11 ILE 40 3HD1 ILE 40 5.733 1.857 0.448 313 HD12 ILE 40 1HD1 ILE 40 4.638 2.900 -0.458 314 HD13 ILE 40 2HD1 ILE 40 6.321 3.372 -0.236 315 H ALA 41 H ALA 41 5.219 3.185 -5.747 316 HA ALA 41 HA ALA 41 6.357 5.681 -6.342 317 HB1 ALA 41 3HB ALA 41 5.981 5.108 -8.680 318 HB2 ALA 41 1HB ALA 41 4.895 3.804 -8.196 319 HB3 ALA 41 2HB ALA 41 6.610 3.722 -7.788 320 H SER 42 H SER 42 3.033 4.568 -6.258 321 HA SER 42 HA SER 42 1.853 6.754 -7.593 322 HB2 SER 42 2HB SER 42 0.618 5.020 -5.440 323 HB3 SER 42 1HB SER 42 -0.249 5.979 -6.640 324 HG SER 42 HG SER 42 1.580 3.937 -7.381 325 H HIS 43 H HIS 43 2.346 6.088 -4.126 326 HA HIS 43 HA HIS 43 1.289 8.589 -3.277 327 HB2 HIS 43 2HB HIS 43 1.334 6.733 -1.726 328 HB3 HIS 43 1HB HIS 43 3.084 6.613 -1.862 329 HD1 HIS 43 HD1 HIS 43 0.371 8.672 -0.246 330 HD2 HIS 43 HD2 HIS 43 4.536 8.457 -0.326 331 HE1 HIS 43 HE1 HIS 43 1.175 10.172 1.602 332 HE2 HIS 43 HE2 HIS 43 3.679 10.214 1.367 333 H ASP 44 H ASP 44 4.497 7.424 -4.081 334 HA ASP 44 HA ASP 44 5.936 9.664 -3.122 335 HB2 ASP 44 2HB ASP 44 7.058 7.561 -3.548 336 HB3 ASP 44 1HB ASP 44 6.627 7.634 -5.252 337 H GLY 45 H GLY 45 4.660 8.848 -6.331 338 HA2 GLY 45 2HA GLY 45 5.040 11.676 -7.083 339 HA3 GLY 45 1HA GLY 45 5.427 10.375 -8.192 340 H GLY 46 H GLY 46 3.116 12.591 -7.370 341 HA2 GLY 46 2HA GLY 46 1.217 12.759 -8.892 342 HA3 GLY 46 1HA GLY 46 1.033 11.016 -8.752 343 H LYS 47 H LYS 47 0.766 10.283 -6.381 344 HA LYS 47 HA LYS 47 -1.599 11.601 -5.413 345 HB2 LYS 47 2HB LYS 47 -1.525 9.186 -5.430 346 HB3 LYS 47 1HB LYS 47 -0.079 9.181 -4.440 347 HG2 LYS 47 2HG LYS 47 -1.743 8.638 -2.932 348 HG3 LYS 47 1HG LYS 47 -1.543 10.372 -2.684 349 HD2 LYS 47 2HD LYS 47 -3.875 9.993 -2.764 350 HD3 LYS 47 1HD LYS 47 -3.441 10.694 -4.325 351 HE2 LYS 47 2HE LYS 47 -3.624 8.629 -5.427 352 HE3 LYS 47 1HE LYS 47 -3.591 7.723 -3.917 353 HZ1 LYS 47 3HZ LYS 47 -5.770 8.645 -3.377 354 HZ2 LYS 47 1HZ LYS 47 -5.806 7.796 -4.841 355 HZ3 LYS 47 2HZ LYS 47 -5.791 9.483 -4.848 356 H GLN 48 H GLN 48 1.736 11.822 -4.740 357 HA GLN 48 HA GLN 48 1.832 12.398 -2.027 358 HB2 GLN 48 2HB GLN 48 3.766 12.188 -3.663 359 HB3 GLN 48 1HB GLN 48 3.454 13.858 -4.103 360 HG2 GLN 48 2HG GLN 48 5.110 14.108 -2.549 361 HG3 GLN 48 1HG GLN 48 3.671 14.285 -1.544 362 HE21 GLN 48 1HE2 GLN 48 6.312 12.215 -2.426 363 HE22 GLN 48 2HE2 GLN 48 6.193 11.141 -1.078 364 H ALA 49 H ALA 49 1.001 14.515 -4.728 365 HA ALA 49 HA ALA 49 0.652 16.786 -2.942 366 HB1 ALA 49 3HB ALA 49 0.318 18.092 -4.928 367 HB2 ALA 49 1HB ALA 49 0.169 16.637 -5.913 368 HB3 ALA 49 2HB ALA 49 1.713 17.045 -5.171 369 H LEU 50 H LEU 50 -1.191 14.187 -3.554 370 HA LEU 50 HA LEU 50 -3.699 15.736 -3.446 371 HB2 LEU 50 2HB LEU 50 -2.893 13.595 -5.226 372 HB3 LEU 50 1HB LEU 50 -4.350 13.176 -4.352 373 HG LEU 50 HG LEU 50 -4.885 14.167 -6.510 374 HD11 LEU 50 1HD1 LEU 50 -6.411 15.908 -5.757 375 HD12 LEU 50 2HD1 LEU 50 -5.558 16.000 -4.217 376 HD13 LEU 50 3HD1 LEU 50 -6.420 14.529 -4.660 377 HD21 LEU 50 3HD2 LEU 50 -4.352 16.500 -6.995 378 HD22 LEU 50 1HD2 LEU 50 -2.891 15.539 -6.794 379 HD23 LEU 50 2HD2 LEU 50 -3.427 16.606 -5.499 380 H GLU 51 H GLU 51 -1.757 14.302 -1.462 381 HA GLU 51 HA GLU 51 -3.871 12.857 -0.010 382 HB2 GLU 51 2HB GLU 51 -1.256 11.989 -0.749 383 HB3 GLU 51 1HB GLU 51 -1.297 12.163 1.000 384 HG2 GLU 51 2HG GLU 51 -3.426 10.787 0.945 385 HG3 GLU 51 1HG GLU 51 -3.021 10.421 -0.731 Start of MODEL 19 1 H1 GLU 1 1HT GLU 1 -14.597 -3.186 1.823 2 H2 GLU 1 2HT GLU 1 -15.117 -1.795 2.625 3 H3 GLU 1 3HT GLU 1 -15.338 -3.311 3.337 4 HA GLU 1 HA GLU 1 -12.778 -1.927 2.830 5 HB2 GLU 1 2HB GLU 1 -14.252 -2.682 5.355 6 HB3 GLU 1 1HB GLU 1 -12.564 -2.201 5.339 7 HG2 GLU 1 2HG GLU 1 -13.371 -0.157 5.720 8 HG3 GLU 1 1HG GLU 1 -13.693 -0.149 3.988 9 H GLN 2 H GLN 2 -11.026 -3.092 4.133 10 HA GLN 2 HA GLN 2 -11.201 -5.933 4.362 11 HB2 GLN 2 2HB GLN 2 -9.461 -6.424 2.671 12 HB3 GLN 2 1HB GLN 2 -10.938 -5.809 1.946 13 HG2 GLN 2 2HG GLN 2 -9.882 -3.576 1.810 14 HG3 GLN 2 1HG GLN 2 -8.389 -4.289 2.424 15 HE21 GLN 2 1HE2 GLN 2 -10.463 -3.893 -0.286 16 HE22 GLN 2 2HE2 GLN 2 -9.443 -4.663 -1.451 17 H VAL 3 H VAL 3 -8.591 -6.640 4.520 18 HA VAL 3 HA VAL 3 -7.753 -5.528 6.920 19 HB VAL 3 HB VAL 3 -5.475 -6.521 6.371 20 HG11 VAL 3 1HG1 VAL 3 -6.268 -8.785 6.704 21 HG12 VAL 3 2HG1 VAL 3 -7.890 -8.313 6.200 22 HG13 VAL 3 3HG1 VAL 3 -7.203 -7.655 7.684 23 HG21 VAL 3 3HG2 VAL 3 -6.993 -7.426 3.928 24 HG22 VAL 3 1HG2 VAL 3 -5.484 -8.144 4.486 25 HG23 VAL 3 2HG2 VAL 3 -5.520 -6.458 3.973 26 H VAL 4 H VAL 4 -6.768 -4.604 3.636 27 HA VAL 4 HA VAL 4 -4.771 -2.782 4.593 28 HB VAL 4 HB VAL 4 -4.405 -2.122 2.349 29 HG11 VAL 4 1HG1 VAL 4 -4.153 -4.287 1.175 30 HG12 VAL 4 2HG1 VAL 4 -5.123 -5.046 2.437 31 HG13 VAL 4 3HG1 VAL 4 -3.566 -4.320 2.838 32 HG21 VAL 4 3HG2 VAL 4 -6.879 -3.563 1.434 33 HG22 VAL 4 1HG2 VAL 4 -5.848 -2.466 0.517 34 HG23 VAL 4 2HG2 VAL 4 -6.866 -1.842 1.819 35 H ALA 5 H ALA 5 -8.162 -2.618 4.100 36 HA ALA 5 HA ALA 5 -8.219 0.268 3.849 37 HB1 ALA 5 3HB ALA 5 -10.627 -1.441 4.326 38 HB2 ALA 5 1HB ALA 5 -9.850 -1.381 2.744 39 HB3 ALA 5 2HB ALA 5 -10.504 0.090 3.463 40 H ILE 6 H ILE 6 -8.850 -2.180 6.309 41 HA ILE 6 HA ILE 6 -9.958 -0.401 8.218 42 HB ILE 6 HB ILE 6 -8.520 -3.021 8.689 43 HG12 ILE 6 2HG1 ILE 6 -11.495 -2.479 8.556 44 HG13 ILE 6 1HG1 ILE 6 -10.552 -3.097 7.202 45 HG21 ILE 6 1HG2 ILE 6 -8.618 -1.660 10.711 46 HG22 ILE 6 2HG2 ILE 6 -9.681 -3.060 10.844 47 HG23 ILE 6 3HG2 ILE 6 -10.357 -1.467 10.510 48 HD11 ILE 6 3HD1 ILE 6 -9.953 -5.061 8.543 49 HD12 ILE 6 1HD1 ILE 6 -11.694 -4.897 8.320 50 HD13 ILE 6 2HD1 ILE 6 -10.956 -4.448 9.859 51 H ALA 7 H ALA 7 -6.678 -1.580 7.606 52 HA ALA 7 HA ALA 7 -5.432 -0.300 9.782 53 HB1 ALA 7 3HB ALA 7 -3.339 -0.690 8.569 54 HB2 ALA 7 1HB ALA 7 -4.258 -1.106 7.123 55 HB3 ALA 7 2HB ALA 7 -4.370 -2.119 8.561 56 H SER 8 H SER 8 -6.093 0.767 6.470 57 HA SER 8 HA SER 8 -4.640 3.215 6.777 58 HB2 SER 8 2HB SER 8 -5.904 3.816 4.617 59 HB3 SER 8 1HB SER 8 -4.764 2.471 4.556 60 HG SER 8 HG SER 8 -6.356 1.115 4.248 61 H ASN 9 H ASN 9 -7.884 2.160 7.415 62 HA ASN 9 HA ASN 9 -9.133 4.702 7.463 63 HB2 ASN 9 2HB ASN 9 -10.306 2.464 7.411 64 HB3 ASN 9 1HB ASN 9 -9.900 2.284 9.112 65 HD21 ASN 9 1HD2 ASN 9 -11.837 3.997 6.792 66 HD22 ASN 9 2HD2 ASN 9 -12.926 4.708 7.934 67 H ILE 10 H ILE 10 -7.058 3.034 9.637 68 HA ILE 10 HA ILE 10 -7.650 4.821 11.864 69 HB ILE 10 HB ILE 10 -5.592 2.609 11.715 70 HG12 ILE 10 2HG1 ILE 10 -7.857 1.715 11.350 71 HG13 ILE 10 1HG1 ILE 10 -7.205 1.201 12.902 72 HG21 ILE 10 1HG2 ILE 10 -6.778 4.094 14.054 73 HG22 ILE 10 2HG2 ILE 10 -5.116 4.183 13.474 74 HG23 ILE 10 3HG2 ILE 10 -5.723 2.687 14.181 75 HD11 ILE 10 3HD1 ILE 10 -9.530 1.783 13.127 76 HD12 ILE 10 1HD1 ILE 10 -9.226 3.384 12.445 77 HD13 ILE 10 2HD1 ILE 10 -8.537 2.943 14.009 78 H GLY 11 H GLY 11 -5.088 4.091 9.555 79 HA2 GLY 11 2HA GLY 11 -3.211 5.928 10.714 80 HA3 GLY 11 1HA GLY 11 -3.039 5.086 9.184 81 H GLY 12 H GLY 12 -5.277 5.995 7.825 82 HA2 GLY 12 2HA GLY 12 -6.320 8.017 7.101 83 HA3 GLY 12 1HA GLY 12 -4.997 8.918 7.824 84 H LYS 13 H LYS 13 -3.386 6.532 6.399 85 HA LYS 13 HA LYS 13 -3.258 7.928 3.801 86 HB2 LYS 13 2HB LYS 13 -0.934 6.618 5.226 87 HB3 LYS 13 1HB LYS 13 -0.874 7.579 3.753 88 HG2 LYS 13 2HG LYS 13 -1.311 9.577 4.905 89 HG3 LYS 13 1HG LYS 13 -1.835 8.720 6.354 90 HD2 LYS 13 2HD LYS 13 0.973 8.773 5.252 91 HD3 LYS 13 1HD LYS 13 0.395 9.701 6.636 92 HE2 LYS 13 2HE LYS 13 0.801 6.737 6.384 93 HE3 LYS 13 1HE LYS 13 1.479 7.848 7.570 94 HZ1 LYS 13 3HZ LYS 13 -1.138 6.553 7.516 95 HZ2 LYS 13 1HZ LYS 13 -1.086 8.145 8.107 96 HZ3 LYS 13 2HZ LYS 13 -0.142 6.949 8.827 97 H GLN 14 H GLN 14 -4.535 6.515 2.689 98 HA GLN 14 HA GLN 14 -4.500 3.718 2.905 99 HB2 GLN 14 2HB GLN 14 -5.238 5.286 0.438 100 HB3 GLN 14 1HB GLN 14 -5.804 3.684 0.892 101 HG2 GLN 14 2HG GLN 14 -7.609 4.848 1.559 102 HG3 GLN 14 1HG GLN 14 -6.649 5.054 3.023 103 HE21 GLN 14 1HE2 GLN 14 -8.756 6.737 1.901 104 HE22 GLN 14 2HE2 GLN 14 -8.047 8.301 1.680 105 H ALA 15 H ALA 15 -2.598 5.912 0.931 106 HA ALA 15 HA ALA 15 -1.490 3.798 -0.680 107 HB1 ALA 15 3HB ALA 15 -1.875 6.186 -1.421 108 HB2 ALA 15 1HB ALA 15 -0.320 5.469 -1.837 109 HB3 ALA 15 2HB ALA 15 -0.437 6.599 -0.491 110 H LEU 16 H LEU 16 -0.946 4.523 2.456 111 HA LEU 16 HA LEU 16 1.867 3.684 2.258 112 HB2 LEU 16 2HB LEU 16 0.670 5.904 3.760 113 HB3 LEU 16 1HB LEU 16 1.781 4.911 4.687 114 HG LEU 16 HG LEU 16 2.401 6.380 2.125 115 HD11 LEU 16 1HD1 LEU 16 3.260 6.812 4.979 116 HD12 LEU 16 2HD1 LEU 16 2.288 7.890 3.980 117 HD13 LEU 16 3HD1 LEU 16 3.984 7.618 3.588 118 HD21 LEU 16 3HD2 LEU 16 4.765 5.651 2.668 119 HD22 LEU 16 1HD2 LEU 16 3.689 4.401 2.046 120 HD23 LEU 16 2HD2 LEU 16 4.049 4.477 3.772 121 H GLU 17 H GLU 17 -1.078 3.587 4.238 122 HA GLU 17 HA GLU 17 -0.069 1.686 6.079 123 HB2 GLU 17 2HB GLU 17 -2.721 2.817 5.404 124 HB3 GLU 17 1HB GLU 17 -2.723 1.259 6.220 125 HG2 GLU 17 2HG GLU 17 -2.910 2.967 7.868 126 HG3 GLU 17 1HG GLU 17 -1.307 2.251 7.998 127 H THR 18 H THR 18 -1.567 1.439 2.943 128 HA THR 18 HA THR 18 -2.150 -1.338 3.030 129 HB THR 18 HB THR 18 -1.722 0.468 0.642 130 HG1 THR 18 HG1 THR 18 -3.549 1.270 1.336 131 HG21 THR 18 3HG2 THR 18 -3.041 -2.244 0.856 132 HG22 THR 18 1HG2 THR 18 -1.564 -1.856 -0.026 133 HG23 THR 18 2HG2 THR 18 -3.111 -1.198 -0.563 134 H VAL 19 H VAL 19 0.668 0.537 2.045 135 HA VAL 19 HA VAL 19 2.019 -1.570 0.723 136 HB VAL 19 HB VAL 19 2.499 0.998 0.675 137 HG11 VAL 19 1HG1 VAL 19 4.417 1.671 2.041 138 HG12 VAL 19 2HG1 VAL 19 4.348 0.129 2.893 139 HG13 VAL 19 3HG1 VAL 19 3.016 1.276 3.038 140 HG21 VAL 19 3HG2 VAL 19 4.474 -1.233 0.476 141 HG22 VAL 19 1HG2 VAL 19 4.967 0.432 0.169 142 HG23 VAL 19 2HG2 VAL 19 3.697 -0.307 -0.807 143 H GLN 20 H GLN 20 1.582 -0.813 4.054 144 HA GLN 20 HA GLN 20 3.772 -2.574 4.862 145 HB2 GLN 20 2HB GLN 20 1.941 -0.745 6.408 146 HB3 GLN 20 1HB GLN 20 3.043 -1.871 7.193 147 HG2 GLN 20 2HG GLN 20 3.925 0.226 5.233 148 HG3 GLN 20 1HG GLN 20 3.890 0.467 6.979 149 HE21 GLN 20 1HE2 GLN 20 5.411 -1.250 4.348 150 HE22 GLN 20 2HE2 GLN 20 6.806 -1.761 5.230 151 H ARG 21 H ARG 21 0.450 -2.697 4.248 152 HA ARG 21 HA ARG 21 -0.002 -4.932 6.063 153 HB2 ARG 21 2HB ARG 21 -1.739 -3.211 5.884 154 HB3 ARG 21 1HB ARG 21 -1.891 -3.535 4.165 155 HG2 ARG 21 2HG ARG 21 -3.705 -4.569 5.392 156 HG3 ARG 21 1HG ARG 21 -2.680 -5.802 4.664 157 HD2 ARG 21 2HD ARG 21 -2.183 -4.928 7.479 158 HD3 ARG 21 1HD ARG 21 -3.492 -6.058 7.133 159 HE ARG 21 HE ARG 21 -1.085 -6.921 5.902 160 HH11 ARG 21 1HH1 ARG 21 -2.679 -6.738 9.010 161 HH12 ARG 21 2HH1 ARG 21 -1.769 -8.047 9.696 162 HH21 ARG 21 1HH2 ARG 21 0.084 -8.679 6.797 163 HH22 ARG 21 2HH2 ARG 21 -0.214 -9.163 8.434 164 H LEU 22 H LEU 22 0.231 -4.246 2.607 165 HA LEU 22 HA LEU 22 -0.347 -7.014 1.948 166 HB2 LEU 22 2HB LEU 22 0.152 -4.533 0.357 167 HB3 LEU 22 1HB LEU 22 0.293 -6.100 -0.417 168 HG LEU 22 HG LEU 22 -2.182 -5.022 0.938 169 HD11 LEU 22 1HD1 LEU 22 -1.578 -5.480 -1.979 170 HD12 LEU 22 2HD1 LEU 22 -1.660 -3.910 -1.180 171 HD13 LEU 22 3HD1 LEU 22 -3.105 -4.913 -1.307 172 HD21 LEU 22 3HD2 LEU 22 -1.610 -7.639 -0.434 173 HD22 LEU 22 1HD2 LEU 22 -3.241 -7.020 -0.180 174 HD23 LEU 22 2HD2 LEU 22 -2.208 -7.376 1.204 175 H LEU 23 H LEU 23 2.419 -5.088 2.575 176 HA LEU 23 HA LEU 23 4.360 -6.264 0.996 177 HB2 LEU 23 2HB LEU 23 4.488 -4.302 2.729 178 HB3 LEU 23 1HB LEU 23 5.007 -5.567 3.825 179 HG LEU 23 HG LEU 23 6.826 -6.130 2.186 180 HD11 LEU 23 1HD1 LEU 23 7.430 -4.327 0.584 181 HD12 LEU 23 2HD1 LEU 23 5.871 -3.572 0.912 182 HD13 LEU 23 3HD1 LEU 23 5.936 -5.171 0.177 183 HD21 LEU 23 3HD2 LEU 23 6.813 -3.352 3.360 184 HD22 LEU 23 1HD2 LEU 23 8.245 -4.241 2.837 185 HD23 LEU 23 2HD2 LEU 23 7.282 -4.839 4.189 186 HA PRO 24 HA PRO 24 5.190 -9.632 4.411 187 HB2 PRO 24 2HB PRO 24 3.136 -10.134 6.143 188 HB3 PRO 24 1HB PRO 24 4.478 -9.044 6.506 189 HG2 PRO 24 2HG PRO 24 1.726 -8.398 5.517 190 HG3 PRO 24 1HG PRO 24 2.675 -7.597 6.787 191 HD2 PRO 24 2HD PRO 24 2.484 -6.562 4.323 192 HD3 PRO 24 1HD PRO 24 3.990 -6.457 5.257 193 H VAL 25 H VAL 25 2.328 -9.063 2.668 194 HA VAL 25 HA VAL 25 1.521 -11.858 2.625 195 HB VAL 25 HB VAL 25 0.341 -9.478 1.173 196 HG11 VAL 25 1HG1 VAL 25 -0.144 -11.572 0.025 197 HG12 VAL 25 2HG1 VAL 25 -1.599 -10.940 0.796 198 HG13 VAL 25 3HG1 VAL 25 -0.721 -12.283 1.533 199 HG21 VAL 25 3HG2 VAL 25 0.131 -9.274 3.595 200 HG22 VAL 25 1HG2 VAL 25 -0.576 -10.887 3.679 201 HG23 VAL 25 2HG2 VAL 25 -1.439 -9.587 2.855 202 H LEU 26 H LEU 26 2.561 -9.349 0.318 203 HA LEU 26 HA LEU 26 2.775 -11.206 -1.844 204 HB2 LEU 26 2HB LEU 26 3.227 -8.327 -1.445 205 HB3 LEU 26 1HB LEU 26 4.211 -9.073 -2.692 206 HG LEU 26 HG LEU 26 2.184 -8.107 -3.641 207 HD11 LEU 26 1HD1 LEU 26 1.480 -9.962 -4.954 208 HD12 LEU 26 2HD1 LEU 26 1.967 -11.109 -3.708 209 HD13 LEU 26 3HD1 LEU 26 3.190 -10.194 -4.589 210 HD21 LEU 26 3HD2 LEU 26 0.674 -8.211 -1.789 211 HD22 LEU 26 1HD2 LEU 26 0.749 -9.974 -1.763 212 HD23 LEU 26 2HD2 LEU 26 -0.019 -9.144 -3.114 213 H CYS 27 H CYS 27 4.955 -10.144 0.639 214 HA CYS 27 HA CYS 27 7.355 -10.836 -0.737 215 HB2 CYS 27 2HB CYS 27 8.461 -10.645 1.407 216 HB3 CYS 27 1HB CYS 27 7.306 -9.331 1.241 217 HG CYS 27 HG CYS 27 7.015 -12.110 3.218 218 H GLN 28 H GLN 28 5.045 -12.595 1.183 219 HA GLN 28 HA GLN 28 6.739 -14.972 1.184 220 HB2 GLN 28 2HB GLN 28 4.801 -13.916 2.961 221 HB3 GLN 28 1HB GLN 28 4.178 -15.447 2.360 222 HG2 GLN 28 2HG GLN 28 5.453 -15.707 4.428 223 HG3 GLN 28 1HG GLN 28 6.169 -16.595 3.083 224 HE21 GLN 28 1HE2 GLN 28 8.200 -16.662 3.941 225 HE22 GLN 28 2HE2 GLN 28 9.209 -15.267 4.105 226 H ALA 29 H ALA 29 4.208 -13.605 -0.625 227 HA ALA 29 HA ALA 29 3.358 -16.217 -1.645 228 HB1 ALA 29 3HB ALA 29 1.507 -15.042 -2.689 229 HB2 ALA 29 1HB ALA 29 2.182 -13.495 -2.180 230 HB3 ALA 29 2HB ALA 29 1.598 -14.640 -0.975 231 H HIS 30 H HIS 30 5.523 -13.763 -2.366 232 HA HIS 30 HA HIS 30 6.041 -14.890 -4.983 233 HB2 HIS 30 2HB HIS 30 4.776 -12.263 -4.630 234 HB3 HIS 30 1HB HIS 30 6.223 -12.226 -5.629 235 HD1 HIS 30 HD1 HIS 30 6.160 -13.774 -7.807 236 HD2 HIS 30 HD2 HIS 30 2.528 -13.248 -5.855 237 HE1 HIS 30 HE1 HIS 30 4.400 -14.484 -9.451 238 HE2 HIS 30 HE2 HIS 30 2.223 -14.286 -8.201 239 H GLY 31 H GLY 31 6.863 -12.012 -3.033 240 HA2 GLY 31 2HA GLY 31 8.973 -11.928 -1.840 241 HA3 GLY 31 1HA GLY 31 9.674 -12.916 -3.112 242 H LEU 32 H LEU 32 8.044 -11.089 -5.022 243 HA LEU 32 HA LEU 32 10.216 -9.299 -5.559 244 HB2 LEU 32 2HB LEU 32 7.494 -9.539 -6.842 245 HB3 LEU 32 1HB LEU 32 8.792 -8.523 -7.439 246 HG LEU 32 HG LEU 32 8.772 -11.540 -7.311 247 HD11 LEU 32 1HD1 LEU 32 7.465 -10.561 -9.127 248 HD12 LEU 32 2HD1 LEU 32 8.897 -11.392 -9.730 249 HD13 LEU 32 3HD1 LEU 32 8.872 -9.632 -9.640 250 HD21 LEU 32 3HD2 LEU 32 10.976 -9.646 -8.114 251 HD22 LEU 32 1HD2 LEU 32 10.966 -11.372 -8.461 252 HD23 LEU 32 2HD2 LEU 32 11.000 -10.812 -6.793 253 H THR 33 H THR 33 7.209 -9.090 -3.901 254 HA THR 33 HA THR 33 6.025 -7.424 -2.924 255 HB THR 33 HB THR 33 7.465 -5.663 -1.759 256 HG1 THR 33 HG1 THR 33 9.282 -6.446 -3.418 257 HG21 THR 33 3HG2 THR 33 6.657 -7.649 -0.621 258 HG22 THR 33 1HG2 THR 33 8.308 -7.287 -0.115 259 HG23 THR 33 2HG2 THR 33 8.003 -8.588 -1.266 260 HA PRO 34 HA PRO 34 6.206 -4.604 -6.622 261 HB2 PRO 34 2HB PRO 34 3.566 -4.809 -7.227 262 HB3 PRO 34 1HB PRO 34 4.782 -5.944 -7.827 263 HG2 PRO 34 2HG PRO 34 2.891 -6.237 -5.521 264 HG3 PRO 34 1HG PRO 34 3.335 -7.421 -6.765 265 HD2 PRO 34 2HD PRO 34 4.408 -7.447 -4.281 266 HD3 PRO 34 1HD PRO 34 5.314 -7.967 -5.716 267 H GLU 35 H GLU 35 4.672 -4.696 -3.606 268 HA GLU 35 HA GLU 35 2.969 -2.505 -3.605 269 HB2 GLU 35 2HB GLU 35 4.757 -3.613 -1.446 270 HB3 GLU 35 1HB GLU 35 3.605 -2.322 -1.153 271 HG2 GLU 35 2HG GLU 35 2.714 -4.469 -0.468 272 HG3 GLU 35 1HG GLU 35 1.778 -3.789 -1.797 273 H GLN 36 H GLN 36 6.463 -2.593 -2.989 274 HA GLN 36 HA GLN 36 6.612 0.265 -2.684 275 HB2 GLN 36 2HB GLN 36 8.597 -1.975 -2.688 276 HB3 GLN 36 1HB GLN 36 9.162 -0.320 -2.867 277 HG2 GLN 36 2HG GLN 36 7.275 -0.683 -0.671 278 HG3 GLN 36 1HG GLN 36 8.758 -1.621 -0.503 279 HE21 GLN 36 1HE2 GLN 36 9.439 -0.372 1.240 280 HE22 GLN 36 2HE2 GLN 36 10.038 1.236 1.041 281 H VAL 37 H VAL 37 6.270 -1.686 -5.328 282 HA VAL 37 HA VAL 37 7.946 -0.024 -7.055 283 HB VAL 37 HB VAL 37 6.407 -2.473 -7.899 284 HG11 VAL 37 1HG1 VAL 37 8.842 -1.138 -9.077 285 HG12 VAL 37 2HG1 VAL 37 7.192 -0.953 -9.676 286 HG13 VAL 37 3HG1 VAL 37 7.982 -2.528 -9.734 287 HG21 VAL 37 3HG2 VAL 37 7.914 -3.061 -6.052 288 HG22 VAL 37 1HG2 VAL 37 9.258 -2.328 -6.923 289 HG23 VAL 37 2HG2 VAL 37 8.457 -3.752 -7.580 290 H VAL 38 H VAL 38 4.542 -0.982 -6.622 291 HA VAL 38 HA VAL 38 3.843 0.996 -8.681 292 HB VAL 38 HB VAL 38 2.945 -1.202 -9.156 293 HG11 VAL 38 1HG1 VAL 38 2.816 -2.109 -6.900 294 HG12 VAL 38 2HG1 VAL 38 1.271 -2.269 -7.739 295 HG13 VAL 38 3HG1 VAL 38 1.488 -1.008 -6.526 296 HG21 VAL 38 3HG2 VAL 38 0.548 -0.619 -9.355 297 HG22 VAL 38 1HG2 VAL 38 1.626 0.669 -9.888 298 HG23 VAL 38 2HG2 VAL 38 0.837 0.777 -8.317 299 H ALA 39 H ALA 39 2.796 -0.031 -5.418 300 HA ALA 39 HA ALA 39 0.970 2.094 -5.067 301 HB1 ALA 39 3HB ALA 39 0.878 0.040 -3.740 302 HB2 ALA 39 1HB ALA 39 0.955 1.476 -2.716 303 HB3 ALA 39 2HB ALA 39 2.396 0.484 -2.957 304 H ILE 40 H ILE 40 4.254 1.646 -3.746 305 HA ILE 40 HA ILE 40 4.440 4.175 -2.549 306 HB ILE 40 HB ILE 40 6.527 2.238 -3.507 307 HG12 ILE 40 2HG1 ILE 40 5.241 1.603 -1.529 308 HG13 ILE 40 1HG1 ILE 40 6.907 1.946 -1.089 309 HG21 ILE 40 1HG2 ILE 40 7.526 4.432 -3.738 310 HG22 ILE 40 2HG2 ILE 40 8.228 3.593 -2.354 311 HG23 ILE 40 3HG2 ILE 40 7.026 4.858 -2.100 312 HD11 ILE 40 3HD1 ILE 40 4.484 3.648 -0.600 313 HD12 ILE 40 1HD1 ILE 40 6.134 4.237 -0.395 314 HD13 ILE 40 2HD1 ILE 40 5.548 2.893 0.585 315 H ALA 41 H ALA 41 5.260 3.076 -5.799 316 HA ALA 41 HA ALA 41 6.579 5.367 -6.709 317 HB1 ALA 41 3HB ALA 41 6.615 3.262 -7.927 318 HB2 ALA 41 1HB ALA 41 6.050 4.573 -8.961 319 HB3 ALA 41 2HB ALA 41 4.897 3.425 -8.285 320 H SER 42 H SER 42 3.142 4.478 -6.931 321 HA SER 42 HA SER 42 2.376 6.904 -8.198 322 HB2 SER 42 2HB SER 42 0.575 5.076 -6.604 323 HB3 SER 42 1HB SER 42 0.131 6.135 -7.946 324 HG SER 42 HG SER 42 1.622 3.719 -8.010 325 H HIS 43 H HIS 43 2.662 5.858 -4.873 326 HA HIS 43 HA HIS 43 1.212 7.975 -3.688 327 HB2 HIS 43 2HB HIS 43 1.535 6.173 -2.251 328 HB3 HIS 43 1HB HIS 43 3.220 5.979 -2.704 329 HD1 HIS 43 HD1 HIS 43 1.098 8.523 -0.784 330 HD2 HIS 43 HD2 HIS 43 4.930 6.903 -0.842 331 HE1 HIS 43 HE1 HIS 43 2.290 9.523 1.190 332 HE2 HIS 43 HE2 HIS 43 4.644 8.648 1.039 333 H ASP 44 H ASP 44 4.690 7.515 -4.243 334 HA ASP 44 HA ASP 44 5.324 10.127 -3.232 335 HB2 ASP 44 2HB ASP 44 6.827 8.084 -3.146 336 HB3 ASP 44 1HB ASP 44 7.118 8.337 -4.863 337 H GLY 45 H GLY 45 5.255 8.612 -6.442 338 HA2 GLY 45 2HA GLY 45 5.649 11.248 -7.666 339 HA3 GLY 45 1HA GLY 45 5.804 9.699 -8.482 340 H GLY 46 H GLY 46 3.393 11.738 -6.860 341 HA2 GLY 46 2HA GLY 46 1.625 12.232 -8.770 342 HA3 GLY 46 1HA GLY 46 1.279 10.536 -8.472 343 H LYS 47 H LYS 47 0.913 9.995 -6.088 344 HA LYS 47 HA LYS 47 -1.308 11.468 -5.194 345 HB2 LYS 47 2HB LYS 47 -0.642 9.013 -4.696 346 HB3 LYS 47 1HB LYS 47 0.289 9.700 -3.372 347 HG2 LYS 47 2HG LYS 47 -1.800 9.010 -2.487 348 HG3 LYS 47 1HG LYS 47 -1.818 10.773 -2.553 349 HD2 LYS 47 2HD LYS 47 -3.131 10.711 -4.596 350 HD3 LYS 47 1HD LYS 47 -3.047 8.949 -4.621 351 HE2 LYS 47 2HE LYS 47 -5.076 9.172 -3.647 352 HE3 LYS 47 1HE LYS 47 -4.085 9.263 -2.195 353 HZ1 LYS 47 3HZ LYS 47 -4.279 11.612 -2.161 354 HZ2 LYS 47 1HZ LYS 47 -5.839 10.997 -2.405 355 HZ3 LYS 47 2HZ LYS 47 -4.984 11.650 -3.705 356 H GLN 48 H GLN 48 2.050 11.905 -4.686 357 HA GLN 48 HA GLN 48 2.103 13.222 -2.236 358 HB2 GLN 48 2HB GLN 48 4.132 12.527 -3.423 359 HB3 GLN 48 1HB GLN 48 3.818 13.717 -4.680 360 HG2 GLN 48 2HG GLN 48 3.986 14.770 -1.934 361 HG3 GLN 48 1HG GLN 48 5.476 14.109 -2.601 362 HE21 GLN 48 1HE2 GLN 48 4.580 16.882 -1.953 363 HE22 GLN 48 2HE2 GLN 48 4.857 17.788 -3.399 364 H ALA 49 H ALA 49 1.273 14.396 -5.439 365 HA ALA 49 HA ALA 49 1.006 17.138 -4.509 366 HB1 ALA 49 3HB ALA 49 0.462 17.662 -6.823 367 HB2 ALA 49 1HB ALA 49 0.414 15.944 -7.218 368 HB3 ALA 49 2HB ALA 49 1.937 16.698 -6.738 369 H LEU 50 H LEU 50 -0.912 14.348 -4.795 370 HA LEU 50 HA LEU 50 -3.429 15.781 -5.028 371 HB2 LEU 50 2HB LEU 50 -2.579 12.940 -5.064 372 HB3 LEU 50 1HB LEU 50 -4.195 13.270 -4.485 373 HG LEU 50 HG LEU 50 -4.336 12.715 -6.800 374 HD11 LEU 50 1HD1 LEU 50 -5.462 14.604 -7.690 375 HD12 LEU 50 2HD1 LEU 50 -4.564 15.708 -6.654 376 HD13 LEU 50 3HD1 LEU 50 -5.736 14.597 -5.951 377 HD21 LEU 50 3HD2 LEU 50 -3.153 14.035 -8.524 378 HD22 LEU 50 1HD2 LEU 50 -2.067 13.110 -7.488 379 HD23 LEU 50 2HD2 LEU 50 -2.253 14.845 -7.244 380 H GLU 51 H GLU 51 -1.522 14.089 -2.641 381 HA GLU 51 HA GLU 51 -1.623 13.914 -0.396 382 HB2 GLU 51 2HB GLU 51 -3.256 16.431 -0.733 383 HB3 GLU 51 1HB GLU 51 -2.813 15.776 0.839 384 HG2 GLU 51 2HG GLU 51 -0.411 15.892 0.057 385 HG3 GLU 51 1HG GLU 51 -1.002 16.854 -1.298 Start of MODEL 20 1 H1 GLU 1 1HT GLU 1 -15.248 -4.597 2.641 2 H2 GLU 1 2HT GLU 1 -14.128 -3.435 2.148 3 H3 GLU 1 3HT GLU 1 -15.574 -2.955 2.878 4 HA GLU 1 HA GLU 1 -13.733 -2.776 4.414 5 HB2 GLU 1 2HB GLU 1 -16.088 -3.475 5.118 6 HB3 GLU 1 1HB GLU 1 -15.461 -5.114 5.218 7 HG2 GLU 1 2HG GLU 1 -13.692 -4.133 6.789 8 HG3 GLU 1 1HG GLU 1 -14.755 -2.730 6.888 9 H GLN 2 H GLN 2 -11.744 -3.476 4.901 10 HA GLN 2 HA GLN 2 -11.086 -6.258 5.055 11 HB2 GLN 2 2HB GLN 2 -11.099 -5.539 2.532 12 HB3 GLN 2 1HB GLN 2 -9.565 -4.785 2.935 13 HG2 GLN 2 2HG GLN 2 -8.482 -6.747 3.085 14 HG3 GLN 2 1HG GLN 2 -9.863 -7.578 3.799 15 HE21 GLN 2 1HE2 GLN 2 -10.156 -5.753 0.869 16 HE22 GLN 2 2HE2 GLN 2 -10.361 -7.098 -0.194 17 H VAL 3 H VAL 3 -8.777 -6.566 5.646 18 HA VAL 3 HA VAL 3 -7.975 -4.888 7.692 19 HB VAL 3 HB VAL 3 -5.651 -5.973 7.322 20 HG11 VAL 3 1HG1 VAL 3 -6.486 -8.125 8.244 21 HG12 VAL 3 2HG1 VAL 3 -8.129 -7.591 7.896 22 HG13 VAL 3 3HG1 VAL 3 -7.139 -6.705 9.055 23 HG21 VAL 3 3HG2 VAL 3 -7.293 -7.699 5.467 24 HG22 VAL 3 1HG2 VAL 3 -5.608 -7.943 5.931 25 HG23 VAL 3 2HG2 VAL 3 -6.060 -6.551 4.945 26 H VAL 4 H VAL 4 -6.990 -4.827 4.297 27 HA VAL 4 HA VAL 4 -4.922 -2.924 4.576 28 HB VAL 4 HB VAL 4 -5.279 -2.507 2.114 29 HG11 VAL 4 1HG1 VAL 4 -3.697 -4.173 2.909 30 HG12 VAL 4 2HG1 VAL 4 -4.489 -4.727 1.434 31 HG13 VAL 4 3HG1 VAL 4 -4.984 -5.373 2.997 32 HG21 VAL 4 3HG2 VAL 4 -7.358 -4.675 2.407 33 HG22 VAL 4 1HG2 VAL 4 -6.781 -3.988 0.889 34 HG23 VAL 4 2HG2 VAL 4 -7.682 -2.985 2.026 35 H ALA 5 H ALA 5 -8.384 -2.637 4.238 36 HA ALA 5 HA ALA 5 -8.286 0.206 3.722 37 HB1 ALA 5 3HB ALA 5 -10.606 -1.650 4.232 38 HB2 ALA 5 1HB ALA 5 -10.033 -1.075 2.665 39 HB3 ALA 5 2HB ALA 5 -10.750 0.058 3.812 40 H ILE 6 H ILE 6 -9.178 -1.945 6.394 41 HA ILE 6 HA ILE 6 -10.081 -0.004 8.191 42 HB ILE 6 HB ILE 6 -8.670 -2.607 8.829 43 HG12 ILE 6 2HG1 ILE 6 -11.632 -1.986 8.720 44 HG13 ILE 6 1HG1 ILE 6 -10.741 -2.803 7.439 45 HG21 ILE 6 1HG2 ILE 6 -8.647 -1.125 10.746 46 HG22 ILE 6 2HG2 ILE 6 -9.801 -2.432 11.012 47 HG23 ILE 6 3HG2 ILE 6 -10.376 -0.827 10.566 48 HD11 ILE 6 3HD1 ILE 6 -11.117 -3.803 10.251 49 HD12 ILE 6 1HD1 ILE 6 -10.209 -4.623 8.983 50 HD13 ILE 6 2HD1 ILE 6 -11.948 -4.389 8.812 51 H ALA 7 H ALA 7 -6.829 -1.398 7.815 52 HA ALA 7 HA ALA 7 -5.569 0.129 9.798 53 HB1 ALA 7 3HB ALA 7 -3.478 -0.502 8.731 54 HB2 ALA 7 1HB ALA 7 -4.344 -0.984 7.273 55 HB3 ALA 7 2HB ALA 7 -4.579 -1.879 8.774 56 H SER 8 H SER 8 -6.062 0.738 6.352 57 HA SER 8 HA SER 8 -4.534 3.110 6.229 58 HB2 SER 8 2HB SER 8 -6.776 2.104 4.472 59 HB3 SER 8 1HB SER 8 -5.776 3.508 4.101 60 HG SER 8 HG SER 8 -5.142 0.791 4.053 61 H ASN 9 H ASN 9 -7.941 2.486 6.903 62 HA ASN 9 HA ASN 9 -8.823 5.163 6.797 63 HB2 ASN 9 2HB ASN 9 -10.247 3.047 6.840 64 HB3 ASN 9 1HB ASN 9 -9.993 3.032 8.583 65 HD21 ASN 9 1HD2 ASN 9 -11.557 4.590 5.928 66 HD22 ASN 9 2HD2 ASN 9 -12.599 5.603 6.866 67 H ILE 10 H ILE 10 -7.633 3.167 9.468 68 HA ILE 10 HA ILE 10 -7.964 5.277 11.395 69 HB ILE 10 HB ILE 10 -6.319 2.760 11.701 70 HG12 ILE 10 2HG1 ILE 10 -8.582 2.140 11.082 71 HG13 ILE 10 1HG1 ILE 10 -8.331 1.806 12.791 72 HG21 ILE 10 1HG2 ILE 10 -7.561 4.616 13.723 73 HG22 ILE 10 2HG2 ILE 10 -5.843 4.429 13.380 74 HG23 ILE 10 3HG2 ILE 10 -6.747 3.097 14.099 75 HD11 ILE 10 3HD1 ILE 10 -10.523 2.755 12.421 76 HD12 ILE 10 1HD1 ILE 10 -9.809 4.163 11.634 77 HD13 ILE 10 2HD1 ILE 10 -9.530 3.877 13.351 78 H GLY 11 H GLY 11 -5.335 4.015 9.425 79 HA2 GLY 11 2HA GLY 11 -3.257 5.481 10.710 80 HA3 GLY 11 1HA GLY 11 -3.171 4.728 9.125 81 H GLY 12 H GLY 12 -5.006 6.015 7.651 82 HA2 GLY 12 2HA GLY 12 -5.754 8.229 7.055 83 HA3 GLY 12 1HA GLY 12 -4.385 8.884 7.941 84 H LYS 13 H LYS 13 -3.078 6.354 6.417 85 HA LYS 13 HA LYS 13 -2.583 7.828 3.912 86 HB2 LYS 13 2HB LYS 13 -0.500 6.327 5.510 87 HB3 LYS 13 1HB LYS 13 -0.231 7.228 4.024 88 HG2 LYS 13 2HG LYS 13 -0.060 9.174 5.102 89 HG3 LYS 13 1HG LYS 13 -1.431 8.822 6.155 90 HD2 LYS 13 2HD LYS 13 1.228 7.477 6.537 91 HD3 LYS 13 1HD LYS 13 0.883 9.057 7.240 92 HE2 LYS 13 2HE LYS 13 -0.339 8.153 8.876 93 HE3 LYS 13 1HE LYS 13 -1.258 7.173 7.736 94 HZ1 LYS 13 3HZ LYS 13 0.235 6.050 9.522 95 HZ2 LYS 13 1HZ LYS 13 1.477 6.374 8.421 96 HZ3 LYS 13 2HZ LYS 13 0.166 5.410 7.953 97 H GLN 14 H GLN 14 -4.030 6.452 2.827 98 HA GLN 14 HA GLN 14 -4.250 3.716 2.966 99 HB2 GLN 14 2HB GLN 14 -4.555 5.506 0.562 100 HB3 GLN 14 1HB GLN 14 -5.057 3.822 0.602 101 HG2 GLN 14 2HG GLN 14 -6.442 4.557 2.668 102 HG3 GLN 14 1HG GLN 14 -6.218 6.177 2.016 103 HE21 GLN 14 1HE2 GLN 14 -8.363 6.470 1.498 104 HE22 GLN 14 2HE2 GLN 14 -9.143 5.608 0.217 105 H ALA 15 H ALA 15 -2.189 5.482 0.650 106 HA ALA 15 HA ALA 15 -1.077 3.213 -0.541 107 HB1 ALA 15 3HB ALA 15 0.114 5.963 -0.285 108 HB2 ALA 15 1HB ALA 15 -0.956 5.396 -1.568 109 HB3 ALA 15 2HB ALA 15 0.658 4.706 -1.397 110 H LEU 16 H LEU 16 -0.218 4.772 2.471 111 HA LEU 16 HA LEU 16 2.332 3.378 2.592 112 HB2 LEU 16 2HB LEU 16 0.977 5.330 4.426 113 HB3 LEU 16 1HB LEU 16 2.440 4.482 4.887 114 HG LEU 16 HG LEU 16 2.155 6.358 2.538 115 HD11 LEU 16 1HD1 LEU 16 3.521 6.669 5.204 116 HD12 LEU 16 2HD1 LEU 16 2.125 7.569 4.612 117 HD13 LEU 16 3HD1 LEU 16 3.697 7.778 3.844 118 HD21 LEU 16 3HD2 LEU 16 4.653 6.133 2.470 119 HD22 LEU 16 1HD2 LEU 16 3.759 4.701 1.963 120 HD23 LEU 16 2HD2 LEU 16 4.489 4.763 3.566 121 H GLU 17 H GLU 17 -0.838 3.244 4.126 122 HA GLU 17 HA GLU 17 -0.056 1.233 6.002 123 HB2 GLU 17 2HB GLU 17 -2.586 2.579 5.236 124 HB3 GLU 17 1HB GLU 17 -2.729 0.997 5.989 125 HG2 GLU 17 2HG GLU 17 -2.885 2.582 7.726 126 HG3 GLU 17 1HG GLU 17 -1.283 1.863 7.850 127 H THR 18 H THR 18 -1.527 1.243 2.808 128 HA THR 18 HA THR 18 -2.231 -1.504 2.775 129 HB THR 18 HB THR 18 -1.662 0.314 0.423 130 HG1 THR 18 HG1 THR 18 -3.369 0.994 1.910 131 HG21 THR 18 3HG2 THR 18 -1.650 -2.011 -0.258 132 HG22 THR 18 1HG2 THR 18 -3.150 -1.258 -0.800 133 HG23 THR 18 2HG2 THR 18 -3.153 -2.308 0.616 134 H VAL 19 H VAL 19 0.674 0.245 1.716 135 HA VAL 19 HA VAL 19 1.907 -1.968 0.467 136 HB VAL 19 HB VAL 19 2.606 0.384 0.068 137 HG11 VAL 19 1HG1 VAL 19 4.115 1.504 1.594 138 HG12 VAL 19 2HG1 VAL 19 3.991 0.163 2.735 139 HG13 VAL 19 3HG1 VAL 19 2.579 1.165 2.396 140 HG21 VAL 19 3HG2 VAL 19 4.052 -1.368 -0.684 141 HG22 VAL 19 1HG2 VAL 19 4.742 -1.559 0.928 142 HG23 VAL 19 2HG2 VAL 19 5.050 -0.092 0.003 143 H GLN 20 H GLN 20 1.904 -0.836 3.802 144 HA GLN 20 HA GLN 20 3.998 -2.576 4.670 145 HB2 GLN 20 2HB GLN 20 1.867 -1.047 6.161 146 HB3 GLN 20 1HB GLN 20 3.065 -2.048 6.971 147 HG2 GLN 20 2HG GLN 20 3.611 0.364 5.257 148 HG3 GLN 20 1HG GLN 20 3.726 0.271 7.013 149 HE21 GLN 20 1HE2 GLN 20 5.363 -1.064 7.925 150 HE22 GLN 20 2HE2 GLN 20 6.827 -1.371 7.053 151 H ARG 21 H ARG 21 0.649 -2.972 4.060 152 HA ARG 21 HA ARG 21 0.457 -5.378 5.694 153 HB2 ARG 21 2HB ARG 21 -1.445 -3.927 5.826 154 HB3 ARG 21 1HB ARG 21 -1.579 -3.844 4.076 155 HG2 ARG 21 2HG ARG 21 -3.308 -5.265 4.925 156 HG3 ARG 21 1HG ARG 21 -2.142 -6.258 4.050 157 HD2 ARG 21 2HD ARG 21 -2.651 -7.443 6.023 158 HD3 ARG 21 1HD ARG 21 -1.064 -6.725 6.289 159 HE ARG 21 HE ARG 21 -2.699 -4.885 7.355 160 HH11 ARG 21 1HH1 ARG 21 -2.529 -8.362 7.742 161 HH12 ARG 21 2HH1 ARG 21 -3.121 -8.335 9.372 162 HH21 ARG 21 1HH2 ARG 21 -3.509 -4.846 9.499 163 HH22 ARG 21 2HH2 ARG 21 -3.686 -6.338 10.368 164 H LEU 22 H LEU 22 0.311 -4.428 2.270 165 HA LEU 22 HA LEU 22 -0.155 -7.134 1.422 166 HB2 LEU 22 2HB LEU 22 0.405 -4.580 -0.043 167 HB3 LEU 22 1HB LEU 22 0.353 -6.121 -0.878 168 HG LEU 22 HG LEU 22 -1.909 -4.801 0.623 169 HD11 LEU 22 1HD1 LEU 22 -2.976 -4.722 -1.559 170 HD12 LEU 22 2HD1 LEU 22 -1.563 -5.480 -2.291 171 HD13 LEU 22 3HD1 LEU 22 -1.435 -3.869 -1.587 172 HD21 LEU 22 3HD2 LEU 22 -3.239 -6.745 -0.304 173 HD22 LEU 22 1HD2 LEU 22 -2.163 -7.114 1.043 174 HD23 LEU 22 2HD2 LEU 22 -1.694 -7.542 -0.602 175 H LEU 23 H LEU 23 2.663 -5.211 2.017 176 HA LEU 23 HA LEU 23 4.509 -6.395 0.330 177 HB2 LEU 23 2HB LEU 23 4.750 -4.451 2.058 178 HB3 LEU 23 1HB LEU 23 5.285 -5.723 3.137 179 HG LEU 23 HG LEU 23 6.636 -5.727 0.530 180 HD11 LEU 23 1HD1 LEU 23 8.068 -3.809 1.077 181 HD12 LEU 23 2HD1 LEU 23 7.016 -3.422 2.437 182 HD13 LEU 23 3HD1 LEU 23 6.396 -3.328 0.789 183 HD21 LEU 23 3HD2 LEU 23 7.585 -5.752 3.394 184 HD22 LEU 23 1HD2 LEU 23 8.601 -6.008 1.976 185 HD23 LEU 23 2HD2 LEU 23 7.325 -7.162 2.366 186 HA PRO 24 HA PRO 24 5.484 -9.821 3.658 187 HB2 PRO 24 2HB PRO 24 3.423 -10.347 5.405 188 HB3 PRO 24 1HB PRO 24 4.829 -9.351 5.797 189 HG2 PRO 24 2HG PRO 24 2.091 -8.508 4.939 190 HG3 PRO 24 1HG PRO 24 3.138 -7.813 6.191 191 HD2 PRO 24 2HD PRO 24 2.897 -6.662 3.787 192 HD3 PRO 24 1HD PRO 24 4.452 -6.689 4.645 193 H VAL 25 H VAL 25 2.133 -9.264 2.696 194 HA VAL 25 HA VAL 25 1.372 -11.955 2.359 195 HB VAL 25 HB VAL 25 0.323 -9.493 0.944 196 HG11 VAL 25 1HG1 VAL 25 -1.691 -10.813 0.518 197 HG12 VAL 25 2HG1 VAL 25 -0.921 -12.225 1.241 198 HG13 VAL 25 3HG1 VAL 25 -0.277 -11.536 -0.249 199 HG21 VAL 25 3HG2 VAL 25 0.131 -9.343 3.369 200 HG22 VAL 25 1HG2 VAL 25 -0.666 -10.916 3.414 201 HG23 VAL 25 2HG2 VAL 25 -1.455 -9.549 2.627 202 H LEU 26 H LEU 26 2.604 -9.551 0.044 203 HA LEU 26 HA LEU 26 2.657 -11.399 -2.133 204 HB2 LEU 26 2HB LEU 26 3.176 -8.601 -1.726 205 HB3 LEU 26 1HB LEU 26 4.474 -9.320 -2.664 206 HG LEU 26 HG LEU 26 2.733 -8.377 -4.104 207 HD11 LEU 26 1HD1 LEU 26 4.035 -10.348 -4.830 208 HD12 LEU 26 2HD1 LEU 26 2.433 -10.260 -5.560 209 HD13 LEU 26 3HD1 LEU 26 2.738 -11.384 -4.237 210 HD21 LEU 26 3HD2 LEU 26 0.826 -8.675 -2.594 211 HD22 LEU 26 1HD2 LEU 26 0.907 -10.418 -2.847 212 HD23 LEU 26 2HD2 LEU 26 0.509 -9.352 -4.193 213 H CYS 27 H CYS 27 4.847 -10.594 0.422 214 HA CYS 27 HA CYS 27 7.226 -11.569 -0.765 215 HB2 CYS 27 2HB CYS 27 6.369 -11.205 2.102 216 HB3 CYS 27 1HB CYS 27 7.945 -11.864 1.680 217 HG CYS 27 HG CYS 27 6.780 -8.742 0.898 218 H GLN 28 H GLN 28 4.701 -13.069 1.197 219 HA GLN 28 HA GLN 28 5.987 -15.637 1.233 220 HB2 GLN 28 2HB GLN 28 4.021 -14.474 2.737 221 HB3 GLN 28 1HB GLN 28 3.083 -15.548 1.709 222 HG2 GLN 28 2HG GLN 28 3.510 -17.087 3.254 223 HG3 GLN 28 1HG GLN 28 5.104 -17.180 2.514 224 HE21 GLN 28 1HE2 GLN 28 6.179 -17.727 4.361 225 HE22 GLN 28 2HE2 GLN 28 6.370 -16.656 5.703 226 H ALA 29 H ALA 29 3.686 -13.984 -0.776 227 HA ALA 29 HA ALA 29 2.748 -16.295 -2.169 228 HB1 ALA 29 3HB ALA 29 1.651 -14.734 -3.652 229 HB2 ALA 29 1HB ALA 29 2.611 -13.404 -3.002 230 HB3 ALA 29 2HB ALA 29 1.434 -14.224 -1.979 231 H HIS 30 H HIS 30 4.963 -13.641 -3.093 232 HA HIS 30 HA HIS 30 6.137 -15.493 -5.066 233 HB2 HIS 30 2HB HIS 30 5.434 -12.588 -5.366 234 HB3 HIS 30 1HB HIS 30 6.721 -13.299 -6.334 235 HD1 HIS 30 HD1 HIS 30 5.958 -15.359 -7.902 236 HD2 HIS 30 HD2 HIS 30 2.914 -13.002 -6.334 237 HE1 HIS 30 HE1 HIS 30 3.928 -15.866 -9.293 238 HE2 HIS 30 HE2 HIS 30 2.145 -14.314 -8.429 239 H GLY 31 H GLY 31 6.800 -12.499 -3.235 240 HA2 GLY 31 2HA GLY 31 8.718 -12.570 -1.696 241 HA3 GLY 31 1HA GLY 31 9.573 -13.475 -2.932 242 H LEU 32 H LEU 32 8.286 -11.582 -4.956 243 HA LEU 32 HA LEU 32 10.462 -9.713 -5.004 244 HB2 LEU 32 2HB LEU 32 9.392 -10.845 -7.009 245 HB3 LEU 32 1HB LEU 32 8.042 -9.750 -6.801 246 HG LEU 32 HG LEU 32 10.737 -8.525 -7.035 247 HD11 LEU 32 1HD1 LEU 32 10.829 -10.259 -8.745 248 HD12 LEU 32 2HD1 LEU 32 10.682 -8.661 -9.475 249 HD13 LEU 32 3HD1 LEU 32 9.276 -9.722 -9.385 250 HD21 LEU 32 3HD2 LEU 32 8.672 -7.196 -6.733 251 HD22 LEU 32 1HD2 LEU 32 8.068 -7.836 -8.263 252 HD23 LEU 32 2HD2 LEU 32 9.514 -6.824 -8.238 253 H THR 33 H THR 33 7.052 -9.619 -4.275 254 HA THR 33 HA THR 33 5.601 -7.964 -3.748 255 HB THR 33 HB THR 33 6.498 -8.551 -1.596 256 HG1 THR 33 HG1 THR 33 5.114 -6.541 -2.016 257 HG21 THR 33 3HG2 THR 33 8.878 -8.074 -1.965 258 HG22 THR 33 1HG2 THR 33 8.274 -7.298 -0.500 259 HG23 THR 33 2HG2 THR 33 8.525 -6.344 -1.963 260 HA PRO 34 HA PRO 34 7.307 -4.535 -6.245 261 HB2 PRO 34 2HB PRO 34 5.178 -4.308 -7.885 262 HB3 PRO 34 1HB PRO 34 6.447 -5.509 -8.151 263 HG2 PRO 34 2HG PRO 34 3.738 -5.850 -6.936 264 HG3 PRO 34 1HG PRO 34 4.606 -6.913 -8.057 265 HD2 PRO 34 2HD PRO 34 4.465 -7.340 -5.359 266 HD3 PRO 34 1HD PRO 34 5.799 -7.913 -6.378 267 H GLU 35 H GLU 35 4.916 -4.938 -3.986 268 HA GLU 35 HA GLU 35 3.321 -2.646 -4.224 269 HB2 GLU 35 2HB GLU 35 4.208 -4.221 -1.807 270 HB3 GLU 35 1HB GLU 35 3.068 -2.889 -1.705 271 HG2 GLU 35 2HG GLU 35 1.872 -4.959 -1.735 272 HG3 GLU 35 1HG GLU 35 1.570 -4.098 -3.243 273 H GLN 36 H GLN 36 6.513 -3.151 -2.881 274 HA GLN 36 HA GLN 36 6.769 -0.615 -1.633 275 HB2 GLN 36 2HB GLN 36 9.017 -1.196 -1.246 276 HB3 GLN 36 1HB GLN 36 8.149 -2.722 -1.202 277 HG2 GLN 36 2HG GLN 36 8.811 -2.974 -3.653 278 HG3 GLN 36 1HG GLN 36 9.939 -1.653 -3.354 279 HE21 GLN 36 1HE2 GLN 36 9.304 -4.984 -2.990 280 HE22 GLN 36 2HE2 GLN 36 10.771 -5.401 -2.170 281 H VAL 37 H VAL 37 6.475 -1.367 -4.822 282 HA VAL 37 HA VAL 37 8.107 0.926 -5.683 283 HB VAL 37 HB VAL 37 7.087 -1.301 -7.454 284 HG11 VAL 37 1HG1 VAL 37 9.150 0.852 -7.896 285 HG12 VAL 37 2HG1 VAL 37 7.549 0.766 -8.629 286 HG13 VAL 37 3HG1 VAL 37 8.769 -0.442 -9.032 287 HG21 VAL 37 3HG2 VAL 37 8.643 -2.238 -5.824 288 HG22 VAL 37 1HG2 VAL 37 9.828 -0.998 -6.227 289 HG23 VAL 37 2HG2 VAL 37 9.368 -2.201 -7.430 290 H VAL 38 H VAL 38 5.134 -0.830 -6.605 291 HA VAL 38 HA VAL 38 4.049 1.329 -8.057 292 HB VAL 38 HB VAL 38 3.325 -0.919 -8.527 293 HG11 VAL 38 1HG1 VAL 38 3.452 -1.899 -6.314 294 HG12 VAL 38 2HG1 VAL 38 1.858 -2.173 -7.018 295 HG13 VAL 38 3HG1 VAL 38 2.075 -0.930 -5.785 296 HG21 VAL 38 3HG2 VAL 38 0.894 -0.588 -8.593 297 HG22 VAL 38 1HG2 VAL 38 1.771 0.862 -9.078 298 HG23 VAL 38 2HG2 VAL 38 1.056 0.761 -7.470 299 H ALA 39 H ALA 39 3.422 0.259 -4.708 300 HA ALA 39 HA ALA 39 1.387 2.214 -4.280 301 HB1 ALA 39 3HB ALA 39 1.465 0.153 -2.972 302 HB2 ALA 39 1HB ALA 39 1.517 1.576 -1.931 303 HB3 ALA 39 2HB ALA 39 2.992 0.664 -2.253 304 H ILE 40 H ILE 40 4.842 2.054 -3.610 305 HA ILE 40 HA ILE 40 4.960 4.450 -2.108 306 HB ILE 40 HB ILE 40 7.117 2.977 -3.617 307 HG12 ILE 40 2HG1 ILE 40 6.197 1.710 -1.765 308 HG13 ILE 40 1HG1 ILE 40 7.805 2.279 -1.333 309 HG21 ILE 40 1HG2 ILE 40 7.776 5.301 -3.413 310 HG22 ILE 40 2HG2 ILE 40 8.724 4.310 -2.306 311 HG23 ILE 40 3HG2 ILE 40 7.389 5.283 -1.694 312 HD11 ILE 40 3HD1 ILE 40 5.162 3.349 -0.383 313 HD12 ILE 40 1HD1 ILE 40 6.704 4.158 -0.100 314 HD13 ILE 40 2HD1 ILE 40 6.416 2.551 0.565 315 H ALA 41 H ALA 41 5.531 3.740 -5.548 316 HA ALA 41 HA ALA 41 6.295 6.311 -6.345 317 HB1 ALA 41 3HB ALA 41 4.782 4.248 -7.948 318 HB2 ALA 41 1HB ALA 41 6.533 4.335 -7.768 319 HB3 ALA 41 2HB ALA 41 5.669 5.623 -8.601 320 H SER 42 H SER 42 3.090 4.833 -6.117 321 HA SER 42 HA SER 42 1.664 7.054 -7.142 322 HB2 SER 42 2HB SER 42 0.662 4.867 -5.302 323 HB3 SER 42 1HB SER 42 -0.325 5.910 -6.323 324 HG SER 42 HG SER 42 1.408 3.811 -7.067 325 H HIS 43 H HIS 43 3.054 6.387 -4.060 326 HA HIS 43 HA HIS 43 1.389 8.323 -2.678 327 HB2 HIS 43 2HB HIS 43 1.940 6.518 -1.286 328 HB3 HIS 43 1HB HIS 43 3.606 6.474 -1.840 329 HD1 HIS 43 HD1 HIS 43 1.366 8.781 0.219 330 HD2 HIS 43 HD2 HIS 43 5.349 7.633 -0.133 331 HE1 HIS 43 HE1 HIS 43 2.575 9.951 2.079 332 HE2 HIS 43 HE2 HIS 43 5.003 9.402 1.725 333 H ASP 44 H ASP 44 4.756 7.995 -3.736 334 HA ASP 44 HA ASP 44 5.509 10.569 -2.717 335 HB2 ASP 44 2HB ASP 44 7.132 8.737 -2.882 336 HB3 ASP 44 1HB ASP 44 6.950 8.728 -4.633 337 H GLY 45 H GLY 45 5.200 9.289 -6.054 338 HA2 GLY 45 2HA GLY 45 5.296 12.041 -7.038 339 HA3 GLY 45 1HA GLY 45 5.406 10.592 -8.019 340 H GLY 46 H GLY 46 2.910 9.740 -6.283 341 HA2 GLY 46 2HA GLY 46 1.040 10.807 -8.254 342 HA3 GLY 46 1HA GLY 46 0.744 9.453 -7.175 343 H LYS 47 H LYS 47 0.992 10.316 -4.725 344 HA LYS 47 HA LYS 47 -1.318 11.802 -4.265 345 HB2 LYS 47 2HB LYS 47 0.989 11.089 -2.480 346 HB3 LYS 47 1HB LYS 47 -0.398 11.994 -1.892 347 HG2 LYS 47 2HG LYS 47 -0.988 9.490 -3.345 348 HG3 LYS 47 1HG LYS 47 -0.215 9.324 -1.768 349 HD2 LYS 47 2HD LYS 47 -2.499 9.268 -1.277 350 HD3 LYS 47 1HD LYS 47 -2.038 10.934 -0.931 351 HE2 LYS 47 2HE LYS 47 -2.923 11.660 -3.059 352 HE3 LYS 47 1HE LYS 47 -3.284 9.994 -3.512 353 HZ1 LYS 47 3HZ LYS 47 -4.519 11.523 -1.281 354 HZ2 LYS 47 1HZ LYS 47 -4.837 9.898 -1.637 355 HZ3 LYS 47 2HZ LYS 47 -5.265 11.100 -2.745 356 H GLN 48 H GLN 48 2.017 12.916 -4.551 357 HA GLN 48 HA GLN 48 1.590 15.466 -3.402 358 HB2 GLN 48 2HB GLN 48 3.698 14.307 -5.180 359 HB3 GLN 48 1HB GLN 48 3.662 16.042 -4.901 360 HG2 GLN 48 2HG GLN 48 3.660 15.495 -2.422 361 HG3 GLN 48 1HG GLN 48 4.054 13.844 -2.901 362 HE21 GLN 48 1HE2 GLN 48 6.028 13.427 -3.917 363 HE22 GLN 48 2HE2 GLN 48 7.367 14.519 -3.774 364 H ALA 49 H ALA 49 0.433 14.190 -6.292 365 HA ALA 49 HA ALA 49 0.228 16.839 -7.547 366 HB1 ALA 49 3HB ALA 49 -0.411 15.649 -9.572 367 HB2 ALA 49 1HB ALA 49 -0.379 14.118 -8.695 368 HB3 ALA 49 2HB ALA 49 1.113 15.027 -8.938 369 H LEU 50 H LEU 50 -1.390 15.185 -5.346 370 HA LEU 50 HA LEU 50 -4.017 16.140 -6.277 371 HB2 LEU 50 2HB LEU 50 -3.232 13.459 -5.596 372 HB3 LEU 50 1HB LEU 50 -4.420 14.026 -4.441 373 HG LEU 50 HG LEU 50 -5.553 12.848 -6.190 374 HD11 LEU 50 1HD1 LEU 50 -7.142 14.470 -6.903 375 HD12 LEU 50 2HD1 LEU 50 -5.982 15.782 -6.705 376 HD13 LEU 50 3HD1 LEU 50 -6.597 14.927 -5.289 377 HD21 LEU 50 3HD2 LEU 50 -5.416 13.495 -8.528 378 HD22 LEU 50 1HD2 LEU 50 -3.826 13.045 -7.911 379 HD23 LEU 50 2HD2 LEU 50 -4.238 14.746 -8.128 380 H GLU 51 H GLU 51 -2.025 15.226 -3.502 381 HA GLU 51 HA GLU 51 -3.711 16.674 -1.652 382 HB2 GLU 51 2HB GLU 51 -0.990 15.484 -1.106 383 HB3 GLU 51 1HB GLU 51 -2.251 15.859 0.060 384 HG2 GLU 51 2HG GLU 51 -2.754 13.855 -2.091 385 HG3 GLU 51 1HG GLU 51 -1.831 13.409 -0.658 Start of MODEL 21 1 H1 GLU 1 1HT GLU 1 -15.022 -4.583 2.448 2 H2 GLU 1 2HT GLU 1 -13.959 -3.270 2.378 3 H3 GLU 1 3HT GLU 1 -15.489 -3.082 3.078 4 HA GLU 1 HA GLU 1 -13.811 -3.219 4.773 5 HB2 GLU 1 2HB GLU 1 -16.023 -4.120 5.274 6 HB3 GLU 1 1HB GLU 1 -15.573 -5.667 4.580 7 HG2 GLU 1 2HG GLU 1 -13.736 -5.708 6.374 8 HG3 GLU 1 1HG GLU 1 -14.666 -4.421 7.141 9 H GLN 2 H GLN 2 -11.750 -3.720 5.027 10 HA GLN 2 HA GLN 2 -10.768 -6.387 4.822 11 HB2 GLN 2 2HB GLN 2 -10.896 -5.599 2.387 12 HB3 GLN 2 1HB GLN 2 -9.618 -4.464 2.795 13 HG2 GLN 2 2HG GLN 2 -8.098 -6.226 3.286 14 HG3 GLN 2 1HG GLN 2 -9.375 -7.434 3.178 15 HE21 GLN 2 1HE2 GLN 2 -10.613 -6.394 0.839 16 HE22 GLN 2 2HE2 GLN 2 -9.553 -6.690 -0.489 17 H VAL 3 H VAL 3 -8.590 -6.551 5.604 18 HA VAL 3 HA VAL 3 -7.933 -4.788 7.648 19 HB VAL 3 HB VAL 3 -5.610 -5.845 7.525 20 HG11 VAL 3 1HG1 VAL 3 -7.420 -6.600 9.015 21 HG12 VAL 3 2HG1 VAL 3 -6.398 -7.928 8.469 22 HG13 VAL 3 3HG1 VAL 3 -7.988 -7.684 7.746 23 HG21 VAL 3 3HG2 VAL 3 -6.992 -7.456 5.380 24 HG22 VAL 3 1HG2 VAL 3 -5.485 -7.917 6.170 25 HG23 VAL 3 2HG2 VAL 3 -5.555 -6.450 5.196 26 H VAL 4 H VAL 4 -6.841 -4.801 4.291 27 HA VAL 4 HA VAL 4 -4.776 -2.888 4.612 28 HB VAL 4 HB VAL 4 -4.814 -2.624 2.191 29 HG11 VAL 4 1HG1 VAL 4 -3.709 -4.583 3.123 30 HG12 VAL 4 2HG1 VAL 4 -4.414 -4.945 1.548 31 HG13 VAL 4 3HG1 VAL 4 -5.214 -5.493 3.020 32 HG21 VAL 4 3HG2 VAL 4 -7.321 -4.305 2.237 33 HG22 VAL 4 1HG2 VAL 4 -6.458 -3.762 0.797 34 HG23 VAL 4 2HG2 VAL 4 -7.239 -2.585 1.855 35 H ALA 5 H ALA 5 -8.200 -2.627 4.432 36 HA ALA 5 HA ALA 5 -8.115 0.207 3.759 37 HB1 ALA 5 3HB ALA 5 -10.438 -1.649 4.241 38 HB2 ALA 5 1HB ALA 5 -9.838 -1.091 2.680 39 HB3 ALA 5 2HB ALA 5 -10.583 0.051 3.799 40 H ILE 6 H ILE 6 -9.111 -1.925 6.410 41 HA ILE 6 HA ILE 6 -10.011 0.031 8.192 42 HB ILE 6 HB ILE 6 -8.650 -2.588 8.858 43 HG12 ILE 6 2HG1 ILE 6 -11.605 -1.957 8.677 44 HG13 ILE 6 1HG1 ILE 6 -10.686 -2.737 7.395 45 HG21 ILE 6 1HG2 ILE 6 -8.700 -1.071 10.771 46 HG22 ILE 6 2HG2 ILE 6 -9.806 -2.421 11.008 47 HG23 ILE 6 3HG2 ILE 6 -10.434 -0.839 10.553 48 HD11 ILE 6 3HD1 ILE 6 -11.125 -3.819 10.167 49 HD12 ILE 6 1HD1 ILE 6 -10.184 -4.598 8.898 50 HD13 ILE 6 2HD1 ILE 6 -11.920 -4.364 8.689 51 H ALA 7 H ALA 7 -6.766 -1.397 7.825 52 HA ALA 7 HA ALA 7 -5.532 0.100 9.863 53 HB1 ALA 7 3HB ALA 7 -3.423 -0.554 8.825 54 HB2 ALA 7 1HB ALA 7 -4.291 -1.065 7.376 55 HB3 ALA 7 2HB ALA 7 -4.538 -1.919 8.900 56 H SER 8 H SER 8 -6.143 0.756 6.477 57 HA SER 8 HA SER 8 -4.524 3.084 6.298 58 HB2 SER 8 2HB SER 8 -6.768 1.988 4.608 59 HB3 SER 8 1HB SER 8 -5.938 3.495 4.220 60 HG SER 8 HG SER 8 -5.073 0.877 4.009 61 H ASN 9 H ASN 9 -7.960 2.520 6.936 62 HA ASN 9 HA ASN 9 -8.763 5.215 6.936 63 HB2 ASN 9 2HB ASN 9 -10.517 3.674 6.809 64 HB3 ASN 9 1HB ASN 9 -9.891 2.703 8.137 65 HD21 ASN 9 1HD2 ASN 9 -11.477 5.738 7.325 66 HD22 ASN 9 2HD2 ASN 9 -12.225 5.965 8.866 67 H ILE 10 H ILE 10 -7.533 3.116 9.490 68 HA ILE 10 HA ILE 10 -7.830 5.108 11.538 69 HB ILE 10 HB ILE 10 -6.194 2.564 11.568 70 HG12 ILE 10 2HG1 ILE 10 -8.556 2.092 11.210 71 HG13 ILE 10 1HG1 ILE 10 -8.098 1.635 12.847 72 HG21 ILE 10 1HG2 ILE 10 -7.085 4.355 13.826 73 HG22 ILE 10 2HG2 ILE 10 -5.430 4.135 13.255 74 HG23 ILE 10 3HG2 ILE 10 -6.287 2.794 14.016 75 HD11 ILE 10 3HD1 ILE 10 -10.224 2.682 12.953 76 HD12 ILE 10 1HD1 ILE 10 -9.670 4.049 11.983 77 HD13 ILE 10 2HD1 ILE 10 -9.050 3.820 13.619 78 H GLY 11 H GLY 11 -5.141 3.857 9.585 79 HA2 GLY 11 2HA GLY 11 -3.108 5.377 10.833 80 HA3 GLY 11 1HA GLY 11 -3.014 4.649 9.239 81 H GLY 12 H GLY 12 -4.940 5.969 7.839 82 HA2 GLY 12 2HA GLY 12 -5.703 8.240 7.400 83 HA3 GLY 12 1HA GLY 12 -4.198 8.814 8.104 84 H LYS 13 H LYS 13 -2.834 6.501 6.616 85 HA LYS 13 HA LYS 13 -2.752 7.863 4.002 86 HB2 LYS 13 2HB LYS 13 -0.502 6.478 5.476 87 HB3 LYS 13 1HB LYS 13 -0.385 7.181 3.868 88 HG2 LYS 13 2HG LYS 13 -0.166 9.262 4.652 89 HG3 LYS 13 1HG LYS 13 -1.382 9.022 5.910 90 HD2 LYS 13 2HD LYS 13 1.290 7.703 6.152 91 HD3 LYS 13 1HD LYS 13 1.118 9.411 6.557 92 HE2 LYS 13 2HE LYS 13 0.517 8.709 8.591 93 HE3 LYS 13 1HE LYS 13 -1.017 8.261 7.852 94 HZ1 LYS 13 3HZ LYS 13 1.296 6.413 7.991 95 HZ2 LYS 13 1HZ LYS 13 -0.313 6.032 7.619 96 HZ3 LYS 13 2HZ LYS 13 0.113 6.490 9.192 97 H GLN 14 H GLN 14 -4.205 6.539 2.985 98 HA GLN 14 HA GLN 14 -4.416 3.780 3.154 99 HB2 GLN 14 2HB GLN 14 -5.026 5.613 0.836 100 HB3 GLN 14 1HB GLN 14 -5.536 3.934 0.928 101 HG2 GLN 14 2HG GLN 14 -7.004 4.365 2.706 102 HG3 GLN 14 1HG GLN 14 -6.271 5.934 3.036 103 HE21 GLN 14 1HE2 GLN 14 -6.798 7.686 1.749 104 HE22 GLN 14 2HE2 GLN 14 -8.151 7.675 0.670 105 H ALA 15 H ALA 15 -2.516 5.693 0.854 106 HA ALA 15 HA ALA 15 -1.527 3.361 -0.490 107 HB1 ALA 15 3HB ALA 15 -0.743 6.256 -0.699 108 HB2 ALA 15 1HB ALA 15 -1.844 5.369 -1.751 109 HB3 ALA 15 2HB ALA 15 -0.128 4.971 -1.739 110 H LEU 16 H LEU 16 -0.846 4.271 2.495 111 HA LEU 16 HA LEU 16 1.981 3.482 2.259 112 HB2 LEU 16 2HB LEU 16 0.909 5.833 3.425 113 HB3 LEU 16 1HB LEU 16 1.516 4.834 4.728 114 HG LEU 16 HG LEU 16 3.046 5.994 2.409 115 HD11 LEU 16 1HD1 LEU 16 3.401 6.180 5.393 116 HD12 LEU 16 2HD1 LEU 16 2.707 7.423 4.355 117 HD13 LEU 16 3HD1 LEU 16 4.401 6.970 4.177 118 HD21 LEU 16 3HD2 LEU 16 5.023 4.797 3.481 119 HD22 LEU 16 1HD2 LEU 16 3.928 3.819 2.504 120 HD23 LEU 16 2HD2 LEU 16 3.827 3.764 4.263 121 H GLU 17 H GLU 17 -1.018 3.276 4.064 122 HA GLU 17 HA GLU 17 0.041 1.408 5.967 123 HB2 GLU 17 2HB GLU 17 -2.562 2.706 5.445 124 HB3 GLU 17 1HB GLU 17 -2.635 1.130 6.220 125 HG2 GLU 17 2HG GLU 17 -2.641 2.842 7.896 126 HG3 GLU 17 1HG GLU 17 -1.122 1.953 7.980 127 H THR 18 H THR 18 -1.593 1.242 2.884 128 HA THR 18 HA THR 18 -2.318 -1.498 3.087 129 HB THR 18 HB THR 18 -3.332 0.194 1.475 130 HG1 THR 18 HG1 THR 18 -2.488 -2.397 0.670 131 HG21 THR 18 3HG2 THR 18 -0.891 -0.525 -0.158 132 HG22 THR 18 1HG2 THR 18 -1.249 1.067 0.516 133 HG23 THR 18 2HG2 THR 18 -2.289 0.383 -0.733 134 H VAL 19 H VAL 19 0.609 0.154 2.089 135 HA VAL 19 HA VAL 19 1.748 -2.095 0.756 136 HB VAL 19 HB VAL 19 2.469 0.287 0.362 137 HG11 VAL 19 1HG1 VAL 19 4.157 1.251 1.826 138 HG12 VAL 19 2HG1 VAL 19 3.967 -0.100 2.945 139 HG13 VAL 19 3HG1 VAL 19 2.629 1.018 2.678 140 HG21 VAL 19 3HG2 VAL 19 3.788 -1.475 -0.546 141 HG22 VAL 19 1HG2 VAL 19 4.547 -1.791 1.014 142 HG23 VAL 19 2HG2 VAL 19 4.889 -0.291 0.152 143 H GLN 20 H GLN 20 1.583 -1.027 4.051 144 HA GLN 20 HA GLN 20 3.707 -2.666 5.031 145 HB2 GLN 20 2HB GLN 20 1.364 -1.437 6.497 146 HB3 GLN 20 1HB GLN 20 2.776 -2.155 7.260 147 HG2 GLN 20 2HG GLN 20 2.757 0.284 5.495 148 HG3 GLN 20 1HG GLN 20 2.906 0.271 7.250 149 HE21 GLN 20 1HE2 GLN 20 4.803 -0.648 8.173 150 HE22 GLN 20 2HE2 GLN 20 6.279 -0.698 7.276 151 H ARG 21 H ARG 21 0.440 -3.213 4.166 152 HA ARG 21 HA ARG 21 0.304 -5.691 5.710 153 HB2 ARG 21 2HB ARG 21 -1.602 -4.051 5.696 154 HB3 ARG 21 1HB ARG 21 -1.843 -4.440 4.001 155 HG2 ARG 21 2HG ARG 21 -3.409 -5.700 5.263 156 HG3 ARG 21 1HG ARG 21 -2.178 -6.822 4.675 157 HD2 ARG 21 2HD ARG 21 -2.793 -7.245 7.019 158 HD3 ARG 21 1HD ARG 21 -1.095 -6.812 6.845 159 HE ARG 21 HE ARG 21 -1.790 -4.522 7.557 160 HH11 ARG 21 1HH1 ARG 21 -3.686 -7.323 8.504 161 HH12 ARG 21 2HH1 ARG 21 -4.356 -6.542 9.902 162 HH21 ARG 21 1HH2 ARG 21 -2.658 -3.522 9.405 163 HH22 ARG 21 2HH2 ARG 21 -3.767 -4.393 10.418 164 H LEU 22 H LEU 22 0.285 -4.519 2.382 165 HA LEU 22 HA LEU 22 -0.161 -7.137 1.291 166 HB2 LEU 22 2HB LEU 22 0.598 -4.518 0.024 167 HB3 LEU 22 1HB LEU 22 0.349 -5.994 -0.887 168 HG LEU 22 HG LEU 22 -1.755 -4.658 0.820 169 HD11 LEU 22 1HD1 LEU 22 -1.261 -4.599 -2.149 170 HD12 LEU 22 2HD1 LEU 22 -1.295 -3.232 -1.035 171 HD13 LEU 22 3HD1 LEU 22 -2.778 -4.116 -1.395 172 HD21 LEU 22 3HD2 LEU 22 -3.276 -6.190 -0.431 173 HD22 LEU 22 1HD2 LEU 22 -2.161 -7.016 0.659 174 HD23 LEU 22 2HD2 LEU 22 -1.848 -6.998 -1.076 175 H LEU 23 H LEU 23 2.648 -5.183 2.030 176 HA LEU 23 HA LEU 23 4.544 -6.345 0.391 177 HB2 LEU 23 2HB LEU 23 4.855 -4.384 1.956 178 HB3 LEU 23 1HB LEU 23 5.094 -5.548 3.240 179 HG LEU 23 HG LEU 23 6.894 -6.433 1.396 180 HD11 LEU 23 1HD1 LEU 23 8.102 -4.496 0.553 181 HD12 LEU 23 2HD1 LEU 23 6.876 -3.421 1.225 182 HD13 LEU 23 3HD1 LEU 23 6.456 -4.531 -0.082 183 HD21 LEU 23 3HD2 LEU 23 7.300 -4.388 3.573 184 HD22 LEU 23 1HD2 LEU 23 8.580 -5.335 2.817 185 HD23 LEU 23 2HD2 LEU 23 7.323 -6.141 3.754 186 HA PRO 24 HA PRO 24 5.524 -9.733 3.729 187 HB2 PRO 24 2HB PRO 24 3.456 -10.319 5.439 188 HB3 PRO 24 1HB PRO 24 4.820 -9.273 5.846 189 HG2 PRO 24 2HG PRO 24 2.068 -8.531 4.934 190 HG3 PRO 24 1HG PRO 24 3.064 -7.794 6.204 191 HD2 PRO 24 2HD PRO 24 2.832 -6.664 3.788 192 HD3 PRO 24 1HD PRO 24 4.367 -6.629 4.681 193 H VAL 25 H VAL 25 2.178 -9.303 2.656 194 HA VAL 25 HA VAL 25 1.566 -12.052 2.360 195 HB VAL 25 HB VAL 25 0.356 -9.661 0.948 196 HG11 VAL 25 1HG1 VAL 25 -1.574 -11.135 0.529 197 HG12 VAL 25 2HG1 VAL 25 -0.660 -12.495 1.179 198 HG13 VAL 25 3HG1 VAL 25 -0.114 -11.691 -0.290 199 HG21 VAL 25 3HG2 VAL 25 0.119 -9.537 3.362 200 HG22 VAL 25 1HG2 VAL 25 -0.540 -11.174 3.400 201 HG23 VAL 25 2HG2 VAL 25 -1.437 -9.877 2.608 202 H LEU 26 H LEU 26 2.449 -9.584 -0.066 203 HA LEU 26 HA LEU 26 2.635 -11.452 -2.191 204 HB2 LEU 26 2HB LEU 26 3.385 -8.603 -1.794 205 HB3 LEU 26 1HB LEU 26 4.133 -9.458 -3.128 206 HG LEU 26 HG LEU 26 2.187 -8.254 -3.910 207 HD11 LEU 26 1HD1 LEU 26 1.089 -9.987 -5.084 208 HD12 LEU 26 2HD1 LEU 26 1.456 -11.168 -3.828 209 HD13 LEU 26 3HD1 LEU 26 2.750 -10.523 -4.836 210 HD21 LEU 26 3HD2 LEU 26 0.926 -8.117 -1.843 211 HD22 LEU 26 1HD2 LEU 26 0.632 -9.855 -1.883 212 HD23 LEU 26 2HD2 LEU 26 -0.070 -8.814 -3.122 213 H CYS 27 H CYS 27 4.887 -10.338 0.222 214 HA CYS 27 HA CYS 27 7.247 -11.294 -1.048 215 HB2 CYS 27 2HB CYS 27 6.797 -9.690 1.093 216 HB3 CYS 27 1HB CYS 27 7.197 -11.197 1.910 217 HG CYS 27 HG CYS 27 9.709 -11.453 0.797 218 H GLN 28 H GLN 28 4.790 -12.753 0.950 219 HA GLN 28 HA GLN 28 6.358 -15.145 1.411 220 HB2 GLN 28 2HB GLN 28 4.675 -14.175 3.055 221 HB3 GLN 28 1HB GLN 28 3.419 -14.764 1.976 222 HG2 GLN 28 2HG GLN 28 3.877 -16.275 3.867 223 HG3 GLN 28 1HG GLN 28 4.126 -17.032 2.294 224 HE21 GLN 28 1HE2 GLN 28 5.529 -18.572 2.994 225 HE22 GLN 28 2HE2 GLN 28 7.127 -18.223 3.554 226 H ALA 29 H ALA 29 3.778 -14.040 -0.669 227 HA ALA 29 HA ALA 29 3.175 -16.608 -1.757 228 HB1 ALA 29 3HB ALA 29 1.796 -15.413 -3.345 229 HB2 ALA 29 1HB ALA 29 2.545 -13.886 -2.886 230 HB3 ALA 29 2HB ALA 29 1.548 -14.763 -1.727 231 H HIS 30 H HIS 30 4.986 -13.796 -2.987 232 HA HIS 30 HA HIS 30 6.234 -15.610 -4.951 233 HB2 HIS 30 2HB HIS 30 5.288 -12.780 -5.220 234 HB3 HIS 30 1HB HIS 30 6.601 -13.363 -6.236 235 HD1 HIS 30 HD1 HIS 30 5.927 -14.528 -8.327 236 HD2 HIS 30 HD2 HIS 30 2.843 -14.389 -5.545 237 HE1 HIS 30 HE1 HIS 30 3.907 -15.452 -9.504 238 HE2 HIS 30 HE2 HIS 30 2.038 -15.286 -7.830 239 H GLY 31 H GLY 31 6.762 -12.536 -3.202 240 HA2 GLY 31 2HA GLY 31 8.726 -12.435 -1.731 241 HA3 GLY 31 1HA GLY 31 9.593 -13.351 -2.953 242 H LEU 32 H LEU 32 7.901 -11.442 -4.837 243 HA LEU 32 HA LEU 32 10.081 -9.557 -5.125 244 HB2 LEU 32 2HB LEU 32 9.195 -10.611 -7.123 245 HB3 LEU 32 1HB LEU 32 7.589 -10.010 -6.768 246 HG LEU 32 HG LEU 32 8.437 -7.687 -7.070 247 HD11 LEU 32 1HD1 LEU 32 10.595 -7.395 -8.224 248 HD12 LEU 32 2HD1 LEU 32 10.935 -9.108 -7.980 249 HD13 LEU 32 3HD1 LEU 32 10.779 -8.033 -6.592 250 HD21 LEU 32 3HD2 LEU 32 7.295 -8.855 -8.880 251 HD22 LEU 32 1HD2 LEU 32 8.827 -9.542 -9.417 252 HD23 LEU 32 2HD2 LEU 32 8.562 -7.800 -9.507 253 H THR 33 H THR 33 6.648 -9.518 -4.412 254 HA THR 33 HA THR 33 5.186 -7.871 -3.911 255 HB THR 33 HB THR 33 5.913 -8.427 -1.722 256 HG1 THR 33 HG1 THR 33 4.706 -6.335 -2.183 257 HG21 THR 33 3HG2 THR 33 8.350 -8.142 -2.030 258 HG22 THR 33 1HG2 THR 33 7.753 -7.384 -0.554 259 HG23 THR 33 2HG2 THR 33 8.127 -6.392 -1.963 260 HA PRO 34 HA PRO 34 6.987 -4.500 -6.433 261 HB2 PRO 34 2HB PRO 34 4.803 -4.185 -7.994 262 HB3 PRO 34 1HB PRO 34 6.031 -5.419 -8.309 263 HG2 PRO 34 2HG PRO 34 3.371 -5.691 -6.960 264 HG3 PRO 34 1HG PRO 34 4.129 -6.751 -8.163 265 HD2 PRO 34 2HD PRO 34 4.142 -7.297 -5.506 266 HD3 PRO 34 1HD PRO 34 5.458 -7.786 -6.591 267 H GLU 35 H GLU 35 4.560 -4.793 -4.162 268 HA GLU 35 HA GLU 35 3.138 -2.394 -4.356 269 HB2 GLU 35 2HB GLU 35 3.906 -4.060 -1.957 270 HB3 GLU 35 1HB GLU 35 2.861 -2.653 -1.844 271 HG2 GLU 35 2HG GLU 35 1.480 -4.572 -1.908 272 HG3 GLU 35 1HG GLU 35 1.321 -3.754 -3.459 273 H GLN 36 H GLN 36 6.304 -3.123 -3.092 274 HA GLN 36 HA GLN 36 6.731 -0.653 -1.757 275 HB2 GLN 36 2HB GLN 36 8.987 -1.357 -1.514 276 HB3 GLN 36 1HB GLN 36 7.997 -2.802 -1.379 277 HG2 GLN 36 2HG GLN 36 8.485 -3.239 -3.803 278 HG3 GLN 36 1HG GLN 36 9.660 -1.925 -3.724 279 HE21 GLN 36 1HE2 GLN 36 8.953 -5.182 -2.907 280 HE22 GLN 36 2HE2 GLN 36 10.497 -5.581 -2.233 281 H VAL 37 H VAL 37 6.395 -1.343 -4.975 282 HA VAL 37 HA VAL 37 8.093 0.914 -5.804 283 HB VAL 37 HB VAL 37 7.026 -1.293 -7.572 284 HG11 VAL 37 1HG1 VAL 37 9.108 0.829 -8.066 285 HG12 VAL 37 2HG1 VAL 37 7.480 0.789 -8.746 286 HG13 VAL 37 3HG1 VAL 37 8.653 -0.450 -9.192 287 HG21 VAL 37 3HG2 VAL 37 8.606 -2.215 -5.961 288 HG22 VAL 37 1HG2 VAL 37 9.788 -0.983 -6.399 289 HG23 VAL 37 2HG2 VAL 37 9.298 -2.195 -7.582 290 H VAL 38 H VAL 38 5.144 -0.731 -6.994 291 HA VAL 38 HA VAL 38 4.169 1.551 -8.313 292 HB VAL 38 HB VAL 38 3.444 -0.625 -9.014 293 HG11 VAL 38 1HG1 VAL 38 3.453 -1.777 -6.865 294 HG12 VAL 38 2HG1 VAL 38 1.930 -2.017 -7.714 295 HG13 VAL 38 3HG1 VAL 38 2.017 -0.881 -6.373 296 HG21 VAL 38 3HG2 VAL 38 1.019 -0.268 -9.164 297 HG22 VAL 38 1HG2 VAL 38 1.935 1.201 -9.496 298 HG23 VAL 38 2HG2 VAL 38 1.140 0.990 -7.936 299 H ALA 39 H ALA 39 3.148 0.168 -5.173 300 HA ALA 39 HA ALA 39 1.185 2.159 -4.705 301 HB1 ALA 39 3HB ALA 39 1.117 -0.014 -3.582 302 HB2 ALA 39 1HB ALA 39 1.122 1.314 -2.418 303 HB3 ALA 39 2HB ALA 39 2.599 0.393 -2.709 304 H ILE 40 H ILE 40 4.570 1.826 -3.769 305 HA ILE 40 HA ILE 40 4.637 4.080 -2.076 306 HB ILE 40 HB ILE 40 6.842 2.630 -3.536 307 HG12 ILE 40 2HG1 ILE 40 5.753 1.331 -1.791 308 HG13 ILE 40 1HG1 ILE 40 7.368 1.788 -1.264 309 HG21 ILE 40 1HG2 ILE 40 7.535 4.941 -3.177 310 HG22 ILE 40 2HG2 ILE 40 8.438 3.841 -2.137 311 HG23 ILE 40 3HG2 ILE 40 7.123 4.807 -1.467 312 HD11 ILE 40 3HD1 ILE 40 4.752 2.985 -0.390 313 HD12 ILE 40 1HD1 ILE 40 6.329 3.652 0.028 314 HD13 ILE 40 2HD1 ILE 40 5.882 2.038 0.578 315 H ALA 41 H ALA 41 5.531 3.670 -5.504 316 HA ALA 41 HA ALA 41 6.400 6.298 -5.939 317 HB1 ALA 41 3HB ALA 41 5.103 4.425 -7.914 318 HB2 ALA 41 1HB ALA 41 6.820 4.479 -7.515 319 HB3 ALA 41 2HB ALA 41 6.057 5.855 -8.311 320 H SER 42 H SER 42 3.183 4.845 -6.310 321 HA SER 42 HA SER 42 1.939 7.206 -7.254 322 HB2 SER 42 2HB SER 42 0.608 4.880 -5.862 323 HB3 SER 42 1HB SER 42 -0.141 6.029 -6.969 324 HG SER 42 HG SER 42 1.653 3.930 -7.513 325 H HIS 43 H HIS 43 2.799 6.117 -4.086 326 HA HIS 43 HA HIS 43 0.956 7.925 -2.764 327 HB2 HIS 43 2HB HIS 43 1.208 6.492 -1.058 328 HB3 HIS 43 1HB HIS 43 2.379 5.585 -1.998 329 HD1 HIS 43 HD1 HIS 43 2.199 8.339 0.600 330 HD2 HIS 43 HD2 HIS 43 4.972 5.744 -1.093 331 HE1 HIS 43 HE1 HIS 43 4.273 8.562 1.995 332 HE2 HIS 43 HE2 HIS 43 5.993 7.142 0.824 333 H ASP 44 H ASP 44 4.293 7.834 -3.742 334 HA ASP 44 HA ASP 44 4.913 10.218 -2.189 335 HB2 ASP 44 2HB ASP 44 6.441 8.092 -2.687 336 HB3 ASP 44 1HB ASP 44 6.883 9.050 -4.095 337 H GLY 45 H GLY 45 6.008 9.493 -5.471 338 HA2 GLY 45 2HA GLY 45 5.776 12.244 -6.226 339 HA3 GLY 45 1HA GLY 45 6.270 10.918 -7.261 340 H GLY 46 H GLY 46 3.619 9.577 -6.383 341 HA2 GLY 46 2HA GLY 46 2.109 10.719 -8.595 342 HA3 GLY 46 1HA GLY 46 1.768 9.208 -7.770 343 H LYS 47 H LYS 47 2.109 11.020 -5.199 344 HA LYS 47 HA LYS 47 -0.719 11.810 -5.215 345 HB2 LYS 47 2HB LYS 47 0.271 10.110 -3.520 346 HB3 LYS 47 1HB LYS 47 0.953 11.527 -2.736 347 HG2 LYS 47 2HG LYS 47 -1.102 10.933 -1.648 348 HG3 LYS 47 1HG LYS 47 -1.327 12.455 -2.508 349 HD2 LYS 47 2HD LYS 47 -2.615 11.450 -4.186 350 HD3 LYS 47 1HD LYS 47 -2.063 9.830 -3.763 351 HE2 LYS 47 2HE LYS 47 -4.314 10.070 -2.999 352 HE3 LYS 47 1HE LYS 47 -3.255 10.062 -1.592 353 HZ1 LYS 47 3HZ LYS 47 -5.078 11.780 -1.630 354 HZ2 LYS 47 1HZ LYS 47 -4.203 12.577 -2.836 355 HZ3 LYS 47 2HZ LYS 47 -3.521 12.363 -1.299 356 H GLN 48 H GLN 48 2.286 13.150 -5.524 357 HA GLN 48 HA GLN 48 2.291 15.385 -3.872 358 HB2 GLN 48 2HB GLN 48 3.370 15.077 -6.675 359 HB3 GLN 48 1HB GLN 48 3.720 16.447 -5.630 360 HG2 GLN 48 2HG GLN 48 4.664 14.835 -3.975 361 HG3 GLN 48 1HG GLN 48 4.475 13.574 -5.191 362 HE21 GLN 48 1HE2 GLN 48 6.327 16.253 -4.128 363 HE22 GLN 48 2HE2 GLN 48 7.565 16.162 -5.333 364 H ALA 49 H ALA 49 0.920 15.077 -7.144 365 HA ALA 49 HA ALA 49 -0.205 17.749 -6.955 366 HB1 ALA 49 3HB ALA 49 -0.946 17.382 -9.251 367 HB2 ALA 49 1HB ALA 49 -0.399 15.710 -9.167 368 HB3 ALA 49 2HB ALA 49 0.770 17.025 -9.071 369 H LEU 50 H LEU 50 -1.097 15.152 -5.442 370 HA LEU 50 HA LEU 50 -3.970 15.582 -5.922 371 HB2 LEU 50 2HB LEU 50 -2.471 13.002 -5.605 372 HB3 LEU 50 1HB LEU 50 -4.146 13.106 -5.107 373 HG LEU 50 HG LEU 50 -4.303 12.226 -7.242 374 HD11 LEU 50 1HD1 LEU 50 -5.322 13.876 -8.627 375 HD12 LEU 50 2HD1 LEU 50 -4.443 15.174 -7.824 376 HD13 LEU 50 3HD1 LEU 50 -5.685 14.280 -6.948 377 HD21 LEU 50 3HD2 LEU 50 -3.004 13.023 -9.178 378 HD22 LEU 50 1HD2 LEU 50 -1.977 12.410 -7.883 379 HD23 LEU 50 2HD2 LEU 50 -2.152 14.148 -8.120 380 H GLU 51 H GLU 51 -2.195 16.831 -4.023 381 HA GLU 51 HA GLU 51 -3.432 15.898 -1.525 382 HB2 GLU 51 2HB GLU 51 -0.586 16.647 -2.069 383 HB3 GLU 51 1HB GLU 51 -1.270 16.957 -0.478 384 HG2 GLU 51 2HG GLU 51 -1.146 14.282 -1.848 385 HG3 GLU 51 1HG GLU 51 -0.080 14.831 -0.556
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