NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
549748 | 2lug | 18520 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 H SER 1 -0.525 -0.851 0.000 2 HA SER 1 HA SER 1 1.475 1.311 0.826 3 HB2 SER 1 1HB SER 1 2.341 2.153 -1.108 4 HB3 SER 1 2HB SER 1 2.303 0.377 -1.199 5 HG SER 1 HG SER 1 0.422 0.589 -2.495 6 H GLN 2 H GLN 2 1.419 3.660 0.414 7 HA GLN 2 HA GLN 2 -1.410 4.617 0.469 8 HB2 GLN 2 1HB GLN 2 1.152 5.979 1.329 9 HB3 GLN 2 2HB GLN 2 -0.501 6.609 1.528 10 HG2 GLN 2 1HG GLN 2 0.638 4.168 3.150 11 HG3 GLN 2 2HG GLN 2 0.313 5.892 3.446 12 HE21 GLN 2 2HE2 GLN 2 -0.922 2.735 3.539 13 HE22 GLN 2 1HE2 GLN 2 -2.590 3.120 3.804 14 H HIS 3 H HIS 3 -1.928 6.675 -0.473 15 HA HIS 3 HA HIS 3 -0.514 6.990 -3.091 16 HB2 HIS 3 1HB HIS 3 -3.281 8.022 -2.343 17 HB3 HIS 3 2HB HIS 3 -2.569 7.877 -3.967 18 HD2 HIS 3 HD2 HIS 3 -4.589 5.655 -1.389 19 HE1 HIS 3 HE1 HIS 3 -3.607 3.362 -4.828 20 HE2 HIS 3 HE2 HIS 3 -4.979 3.495 -2.590 21 H GLY 4 H GLY 4 0.121 8.936 -3.876 22 HA2 GLY 4 1HA GLY 4 -0.338 11.472 -2.781 23 HA3 GLY 4 2HA GLY 4 1.055 10.806 -1.898 24 H ARG 5 H ARG 5 2.179 12.662 -2.882 25 HA ARG 5 HA ARG 5 2.991 12.115 -5.714 26 HB2 ARG 5 1HB ARG 5 3.271 14.600 -4.085 27 HB3 ARG 5 2HB ARG 5 3.948 14.334 -5.708 28 HG2 ARG 5 1HG ARG 5 1.672 14.026 -6.600 29 HG3 ARG 5 2HG ARG 5 1.003 14.316 -4.975 30 HD2 ARG 5 1HD ARG 5 1.873 16.562 -5.008 31 HD3 ARG 5 2HD ARG 5 2.575 16.276 -6.618 32 HE ARG 5 HE ARG 5 -0.272 15.918 -6.876 33 HH11 ARG 5 1HH1 ARG 5 1.918 18.502 -6.048 34 HH12 ARG 5 2HH1 ARG 5 0.800 19.673 -6.718 35 HH21 ARG 5 1HH2 ARG 5 -1.567 17.248 -7.640 36 HH22 ARG 5 2HH2 ARG 5 -1.189 18.959 -7.625 37 H THR 6 H THR 6 3.864 10.898 -2.990 38 HA THR 6 HA THR 6 6.774 11.558 -3.160 39 HB THR 6 HB THR 6 5.194 10.029 -1.048 40 HG1 THR 6 HG1 THR 6 5.716 11.921 0.201 41 HG21 THR 6 1HG2 THR 6 7.293 10.116 0.252 42 HG22 THR 6 2HG2 THR 6 7.518 9.217 -1.268 43 HG23 THR 6 3HG2 THR 6 8.114 10.887 -1.125 44 H GLN 7 H GLN 7 8.328 10.129 -3.602 45 HA GLN 7 HA GLN 7 7.610 7.937 -5.321 46 HB2 GLN 7 1HB GLN 7 9.713 9.219 -5.474 47 HB3 GLN 7 2HB GLN 7 10.220 8.535 -3.911 48 HG2 GLN 7 1HG GLN 7 10.221 6.131 -5.148 49 HG3 GLN 7 2HG GLN 7 9.609 7.222 -6.413 50 HE21 GLN 7 2HE2 GLN 7 11.812 5.540 -6.793 51 HE22 GLN 7 1HE2 GLN 7 13.236 6.511 -6.965 52 H ASP 8 H ASP 8 7.453 5.815 -5.063 53 HA ASP 8 HA ASP 8 6.748 4.620 -2.638 54 HB2 ASP 8 1HB ASP 8 6.562 3.516 -4.959 55 HB3 ASP 8 2HB ASP 8 8.335 3.423 -4.821 56 H GLU 9 H GLU 9 7.749 4.679 -0.791 57 HA GLU 9 HA GLU 9 10.660 4.809 -0.599 58 HB2 GLU 9 1HB GLU 9 9.121 5.907 0.990 59 HB3 GLU 9 2HB GLU 9 8.569 4.301 1.524 60 HG2 GLU 9 1HG GLU 9 10.868 3.806 2.410 61 HG3 GLU 9 2HG GLU 9 11.366 5.344 1.668 62 H ASN 10 H ASN 10 12.092 3.277 -0.461 63 HA ASN 10 HA ASN 10 11.279 0.469 -0.532 64 HB2 ASN 10 1HB ASN 10 14.171 1.604 -0.335 65 HB3 ASN 10 2HB ASN 10 13.427 -0.014 -0.330 66 HD21 ASN 10 2HD2 ASN 10 15.266 1.410 -2.211 67 HD22 ASN 10 1HD2 ASN 10 14.510 1.262 -3.763 68 HA PRO 11 HA PRO 11 11.232 -0.512 3.647 69 HB2 PRO 11 1HB PRO 11 12.176 -2.863 3.444 70 HB3 PRO 11 2HB PRO 11 10.656 -2.445 3.030 71 HG2 PRO 11 1HG PRO 11 12.650 -2.900 1.414 72 HG3 PRO 11 2HG PRO 11 11.098 -3.349 1.191 73 HD2 PRO 11 1HD PRO 11 12.133 -1.396 0.028 74 HD3 PRO 11 2HD PRO 11 10.587 -1.408 0.548 75 H VAL 12 H VAL 12 14.095 -0.971 1.811 76 HA VAL 12 HA VAL 12 15.926 -1.085 4.082 77 HB VAL 12 HB VAL 12 16.343 -0.300 1.168 78 HG11 VAL 12 1HG1 VAL 12 18.752 -0.566 1.660 79 HG12 VAL 12 2HG1 VAL 12 18.038 0.735 2.641 80 HG13 VAL 12 3HG1 VAL 12 18.370 -0.852 3.374 81 HG21 VAL 12 3HG2 VAL 12 15.676 -2.612 1.445 82 HG22 VAL 12 1HG2 VAL 12 17.386 -2.501 0.968 83 HG23 VAL 12 2HG2 VAL 12 16.955 -2.856 2.658 84 H VAL 13 H VAL 13 14.749 1.557 2.017 85 HA VAL 13 HA VAL 13 16.192 3.640 3.431 86 HB VAL 13 HB VAL 13 13.601 3.705 1.830 87 HG11 VAL 13 1HG1 VAL 13 13.940 6.153 1.773 88 HG12 VAL 13 2HG1 VAL 13 13.717 5.576 3.442 89 HG13 VAL 13 3HG1 VAL 13 15.346 5.984 2.851 90 HG21 VAL 13 3HG2 VAL 13 15.527 3.059 0.509 91 HG22 VAL 13 1HG2 VAL 13 14.986 4.698 0.079 92 HG23 VAL 13 2HG2 VAL 13 16.430 4.476 1.096 93 H HIS 14 H HIS 14 12.996 2.184 3.917 94 HA HIS 14 HA HIS 14 12.192 3.861 6.077 95 HB2 HIS 14 1HB HIS 14 10.650 2.261 4.974 96 HB3 HIS 14 2HB HIS 14 11.592 0.901 5.630 97 HD2 HIS 14 HD2 HIS 14 10.699 0.024 8.161 98 HE1 HIS 14 HE1 HIS 14 8.297 3.443 8.929 99 HE2 HIS 14 HE2 HIS 14 9.048 1.055 9.733 100 H PHE 15 H PHE 15 14.088 0.847 6.086 101 HA PHE 15 HA PHE 15 14.422 0.747 8.942 102 HB2 PHE 15 1HB PHE 15 16.158 -0.360 6.691 103 HB3 PHE 15 2HB PHE 15 16.333 -0.769 8.413 104 HD1 PHE 15 HD1 PHE 15 13.061 -0.535 8.485 105 HD2 PHE 15 HD2 PHE 15 16.010 -2.847 6.432 106 HE1 PHE 15 HE1 PHE 15 11.430 -2.373 8.217 107 HE2 PHE 15 HE2 PHE 15 14.381 -4.686 6.160 108 HZ PHE 15 HZ PHE 15 12.091 -4.449 7.054 109 H PHE 16 H PHE 16 16.409 2.192 6.365 110 HA PHE 16 HA PHE 16 18.492 3.211 8.001 111 HB2 PHE 16 1HB PHE 16 18.630 3.331 5.566 112 HB3 PHE 16 2HB PHE 16 17.207 4.395 5.503 113 HD1 PHE 16 HD1 PHE 16 20.721 4.168 6.652 114 HD2 PHE 16 HD2 PHE 16 17.407 6.699 5.721 115 HE1 PHE 16 HE1 PHE 16 22.196 6.147 6.785 116 HE2 PHE 16 HE2 PHE 16 18.880 8.680 5.851 117 HZ PHE 16 HZ PHE 16 21.276 8.403 6.385 118 H LYS 17 H LYS 17 15.364 4.708 7.159 119 HA LYS 17 HA LYS 17 15.843 7.105 8.686 120 HB2 LYS 17 1HB LYS 17 13.329 5.743 7.719 121 HB3 LYS 17 2HB LYS 17 13.335 7.298 8.586 122 HG2 LYS 17 1HG LYS 17 14.734 8.274 6.794 123 HG3 LYS 17 2HG LYS 17 14.675 6.725 5.920 124 HD2 LYS 17 1HD LYS 17 12.226 6.904 5.759 125 HD3 LYS 17 2HD LYS 17 12.279 8.449 6.640 126 HE2 LYS 17 1HE LYS 17 13.645 9.429 4.851 127 HE3 LYS 17 2HE LYS 17 13.606 7.884 3.970 128 HZ1 LYS 17 3HZ LYS 17 11.258 9.552 4.611 129 HZ2 LYS 17 1HZ LYS 17 11.971 9.429 3.129 130 HZ3 LYS 17 2HZ LYS 17 11.221 8.119 3.795 131 H ASN 18 H ASN 18 14.508 3.951 9.512 132 HA ASN 18 HA ASN 18 13.583 4.611 12.141 133 HB2 ASN 18 1HB ASN 18 14.608 1.854 11.125 134 HB3 ASN 18 2HB ASN 18 14.077 2.487 12.702 135 HD21 ASN 18 2HD2 ASN 18 12.961 0.449 10.831 136 HD22 ASN 18 1HD2 ASN 18 11.315 0.928 10.581 137 H ILE 19 H ILE 19 16.802 3.974 10.873 138 HA ILE 19 HA ILE 19 17.997 3.739 13.552 139 HB ILE 19 HB ILE 19 19.205 4.024 10.764 140 HG12 ILE 19 1HG1 ILE 19 19.185 1.654 12.608 141 HG13 ILE 19 2HG1 ILE 19 17.977 1.937 11.333 142 HG21 ILE 19 1HG2 ILE 19 21.356 3.464 11.845 143 HG22 ILE 19 2HG2 ILE 19 20.698 4.989 12.482 144 HG23 ILE 19 3HG2 ILE 19 20.564 3.494 13.438 145 HD11 ILE 19 3HD1 ILE 19 20.968 1.612 10.908 146 HD12 ILE 19 1HD1 ILE 19 19.729 0.383 10.569 147 HD13 ILE 19 2HD1 ILE 19 19.760 1.896 9.633 148 H VAL 20 H VAL 20 17.726 6.273 11.094 149 HA VAL 20 HA VAL 20 19.552 7.988 12.742 150 HB VAL 20 HB VAL 20 19.708 9.400 10.768 151 HG11 VAL 20 1HG1 VAL 20 20.731 7.816 9.169 152 HG12 VAL 20 2HG1 VAL 20 21.187 7.420 10.843 153 HG13 VAL 20 3HG1 VAL 20 19.943 6.459 10.007 154 HG21 VAL 20 3HG2 VAL 20 17.415 9.232 10.002 155 HG22 VAL 20 1HG2 VAL 20 18.551 8.864 8.684 156 HG23 VAL 20 2HG2 VAL 20 17.685 7.544 9.505 157 H THR 21 H THR 21 16.242 7.528 12.070 158 HA THR 21 HA THR 21 15.683 10.179 13.357 159 HB THR 21 HB THR 21 14.041 8.841 11.165 160 HG1 THR 21 HG1 THR 21 14.709 10.725 9.974 161 HG21 THR 21 1HG2 THR 21 12.697 10.911 11.263 162 HG22 THR 21 2HG2 THR 21 12.675 10.059 12.825 163 HG23 THR 21 3HG2 THR 21 13.698 11.498 12.611 164 HA PRO 22 HA PRO 22 13.790 7.552 16.219 165 HB2 PRO 22 1HB PRO 22 13.105 9.420 17.770 166 HB3 PRO 22 2HB PRO 22 14.639 8.890 17.627 167 HG2 PRO 22 1HG PRO 22 13.648 11.093 16.651 168 HG3 PRO 22 2HG PRO 22 15.122 10.907 17.324 169 HD2 PRO 22 1HD PRO 22 14.909 10.958 14.859 170 HD3 PRO 22 2HD PRO 22 15.958 9.947 15.594 171 H ARG 23 H ARG 23 12.323 10.235 14.704 172 HA ARG 23 HA ARG 23 9.596 9.518 15.489 173 HB2 ARG 23 1HB ARG 23 10.596 11.372 13.375 174 HB3 ARG 23 2HB ARG 23 8.895 11.123 13.832 175 HG2 ARG 23 1HG ARG 23 9.329 11.976 16.064 176 HG3 ARG 23 2HG ARG 23 11.065 12.127 15.698 177 HD2 ARG 23 1HD ARG 23 10.537 13.796 14.006 178 HD3 ARG 23 2HD ARG 23 8.818 13.672 14.447 179 HE ARG 23 HE ARG 23 10.206 14.488 16.827 180 HH11 ARG 23 1HH1 ARG 23 9.703 15.766 13.621 181 HH12 ARG 23 2HH1 ARG 23 9.794 17.399 14.251 182 HH21 ARG 23 1HH2 ARG 23 10.321 16.352 17.562 183 HH22 ARG 23 2HH2 ARG 23 10.148 17.735 16.498 184 H THR 24 H THR 24 8.066 8.430 14.427 185 HA THR 24 HA THR 24 8.883 6.245 12.800 186 HB THR 24 HB THR 24 6.112 7.502 12.976 187 HG1 THR 24 HG1 THR 24 5.836 5.880 14.621 188 HG21 THR 24 1HG2 THR 24 5.335 5.238 12.367 189 HG22 THR 24 2HG2 THR 24 6.382 5.919 11.098 190 HG23 THR 24 3HG2 THR 24 7.024 4.697 12.220 191 HA PRO 25 HA PRO 25 9.525 8.247 8.992 192 HB2 PRO 25 1HB PRO 25 9.712 5.620 8.293 193 HB3 PRO 25 2HB PRO 25 10.757 6.851 8.075 194 HG2 PRO 25 1HG PRO 25 10.558 5.322 10.175 195 HG3 PRO 25 2HG PRO 25 11.938 5.869 9.500 196 HD2 PRO 25 1HD PRO 25 9.317 5.240 11.361 197 HD3 PRO 25 2HD PRO 25 10.656 6.170 11.280 198 HA PRO 26 HA PRO 26 5.709 8.064 7.074 199 HB2 PRO 26 1HB PRO 26 6.383 8.568 4.687 200 HB3 PRO 26 2HB PRO 26 6.379 9.677 5.882 201 HG2 PRO 26 1HG PRO 26 8.461 8.499 4.847 202 HG3 PRO 26 2HG PRO 26 8.351 10.066 5.288 203 HD2 PRO 26 1HD PRO 26 9.511 8.406 6.727 204 HD3 PRO 26 2HD PRO 26 8.601 9.608 7.352 205 HA PRO 27 HA PRO 27 5.143 4.161 5.448 206 HB2 PRO 27 1HB PRO 27 2.918 4.463 4.311 207 HB3 PRO 27 2HB PRO 27 3.100 4.476 5.930 208 HG2 PRO 27 1HG PRO 27 2.696 6.535 4.384 209 HG3 PRO 27 2HG PRO 27 2.043 6.285 5.857 210 HD2 PRO 27 1HD PRO 27 3.979 7.806 5.674 211 HD3 PRO 27 2HD PRO 27 3.843 6.789 6.942 212 H SER 28 H SER 28 5.119 2.815 3.570 213 HA SER 28 HA SER 28 6.540 3.940 1.296 214 HB2 SER 28 1HB SER 28 5.185 1.342 1.687 215 HB3 SER 28 2HB SER 28 6.145 1.828 0.271 216 HG SER 28 HG SER 28 7.921 1.689 1.413 217 H GLN 29 H GLN 29 5.826 4.487 -0.718 218 HA GLN 29 HA GLN 29 2.878 4.947 -0.962 219 HB2 GLN 29 1HB GLN 29 5.137 6.205 -2.526 220 HB3 GLN 29 2HB GLN 29 3.419 6.668 -2.542 221 HG2 GLN 29 1HG GLN 29 5.342 7.220 -0.115 222 HG3 GLN 29 2HG GLN 29 4.650 8.153 -1.463 223 HE21 GLN 29 2HE2 GLN 29 4.194 6.932 1.711 224 HE22 GLN 29 1HE2 GLN 29 2.556 7.448 1.932 225 H GLY 30 H GLY 30 1.914 4.790 -3.074 226 HA2 GLY 30 1HA GLY 30 2.375 2.281 -4.319 227 HA3 GLY 30 2HA GLY 30 1.426 3.620 -5.006 228 H LYS 31 H LYS 31 3.311 1.683 -6.265 229 HA LYS 31 HA LYS 31 5.736 3.059 -6.997 230 HB2 LYS 31 1HB LYS 31 5.361 0.631 -7.225 231 HB3 LYS 31 2HB LYS 31 4.172 0.960 -8.508 232 HG2 LYS 31 1HG LYS 31 5.909 1.926 -9.919 233 HG3 LYS 31 2HG LYS 31 7.112 1.714 -8.624 234 HD2 LYS 31 1HD LYS 31 6.833 -0.716 -8.735 235 HD3 LYS 31 2HD LYS 31 5.583 -0.529 -9.987 236 HE2 LYS 31 1HE LYS 31 7.222 0.491 -11.493 237 HE3 LYS 31 2HE LYS 31 8.476 0.350 -10.239 238 HZ1 LYS 31 3HZ LYS 31 7.065 -1.905 -11.514 239 HZ2 LYS 31 1HZ LYS 31 8.612 -1.436 -11.838 240 HZ3 LYS 31 2HZ LYS 31 8.227 -2.037 -10.351 241 H GLY 32 H GLY 32 6.028 4.785 -8.138 242 HA2 GLY 32 1HA GLY 32 5.877 5.935 -10.245 243 HA3 GLY 32 2HA GLY 32 4.249 5.257 -10.479 244 H ARG 33 H ARG 33 4.234 6.060 -7.340 245 HA ARG 33 HA ARG 33 2.597 8.413 -7.721 246 HB2 ARG 33 1HB ARG 33 3.769 7.228 -5.246 247 HB3 ARG 33 2HB ARG 33 2.654 8.614 -5.301 248 HG2 ARG 33 1HG ARG 33 1.979 5.898 -6.456 249 HG3 ARG 33 2HG ARG 33 1.616 6.354 -4.773 250 HD2 ARG 33 1HD ARG 33 0.256 8.198 -5.592 251 HD3 ARG 33 2HD ARG 33 0.583 7.676 -7.261 252 HE ARG 33 HE ARG 33 -1.333 6.300 -5.426 253 HH11 ARG 33 1HH1 ARG 33 0.389 6.224 -8.457 254 HH12 ARG 33 2HH1 ARG 33 -0.708 4.995 -9.056 255 HH21 ARG 33 1HH2 ARG 33 -2.603 4.900 -6.101 256 HH22 ARG 33 2HH2 ARG 33 -2.415 4.240 -7.714 257 H GLY 34 H GLY 34 6.000 7.906 -7.078 258 HA2 GLY 34 1HA GLY 34 6.622 10.560 -6.208 259 HA3 GLY 34 2HA GLY 34 7.754 9.406 -6.950 260 H LEU 35 H LEU 35 6.343 9.063 -9.415 261 HA LEU 35 HA LEU 35 7.237 11.498 -10.795 262 HB2 LEU 35 1HB LEU 35 5.950 8.982 -11.624 263 HB3 LEU 35 2HB LEU 35 6.475 10.149 -12.860 264 HG LEU 35 HG LEU 35 8.257 8.635 -10.912 265 HD11 LEU 35 1HD1 LEU 35 9.158 7.562 -12.994 266 HD12 LEU 35 2HD1 LEU 35 7.417 7.249 -12.807 267 HD13 LEU 35 3HD1 LEU 35 7.981 8.483 -13.959 268 HD21 LEU 35 3HD2 LEU 35 9.103 10.874 -11.301 269 HD22 LEU 35 1HD2 LEU 35 10.142 9.682 -12.119 270 HD23 LEU 35 2HD2 LEU 35 8.979 10.646 -13.062 271 H SER 36 H SER 36 4.193 10.011 -9.875 272 HA SER 36 HA SER 36 2.355 11.523 -11.475 273 HB2 SER 36 1HB SER 36 1.704 9.631 -10.294 274 HB3 SER 36 2HB SER 36 2.038 10.435 -8.744 275 HG SER 36 HG SER 36 -0.167 10.558 -9.352 Start of MODEL 2 1 H1 SER 1 H SER 1 9.057 12.716 14.289 2 HA SER 1 HA SER 1 9.628 12.000 11.371 3 HB2 SER 1 1HB SER 1 11.571 11.350 12.434 4 HB3 SER 1 2HB SER 1 10.732 10.031 13.280 5 HG SER 1 HG SER 1 11.814 9.338 11.378 6 H GLN 2 H GLN 2 7.778 11.472 10.344 7 HA GLN 2 HA GLN 2 6.114 9.242 11.419 8 HB2 GLN 2 1HB GLN 2 5.601 11.191 9.164 9 HB3 GLN 2 2HB GLN 2 4.460 9.976 9.787 10 HG2 GLN 2 1HG GLN 2 5.318 12.543 11.389 11 HG3 GLN 2 2HG GLN 2 3.905 12.001 10.453 12 HE21 GLN 2 2HE2 GLN 2 5.392 12.120 13.499 13 HE22 GLN 2 1HE2 GLN 2 4.358 11.006 14.333 14 H HIS 3 H HIS 3 5.238 7.661 9.953 15 HA HIS 3 HA HIS 3 7.403 6.353 8.565 16 HB2 HIS 3 1HB HIS 3 5.468 5.176 9.716 17 HB3 HIS 3 2HB HIS 3 4.433 5.705 8.368 18 HD2 HIS 3 HD2 HIS 3 4.381 3.871 6.233 19 HE1 HIS 3 HE1 HIS 3 7.893 1.787 7.405 20 HE2 HIS 3 HE2 HIS 3 5.867 1.921 5.736 21 H GLY 4 H GLY 4 7.938 6.152 6.501 22 HA2 GLY 4 1HA GLY 4 6.942 8.245 4.717 23 HA3 GLY 4 2HA GLY 4 8.254 7.091 4.384 24 H ARG 5 H ARG 5 7.210 7.033 2.234 25 HA ARG 5 HA ARG 5 4.657 5.487 2.159 26 HB2 ARG 5 1HB ARG 5 4.828 7.585 0.909 27 HB3 ARG 5 2HB ARG 5 6.068 6.815 -0.107 28 HG2 ARG 5 1HG ARG 5 4.433 5.099 -0.787 29 HG3 ARG 5 2HG ARG 5 3.193 5.898 0.211 30 HD2 ARG 5 1HD ARG 5 3.442 7.902 -1.183 31 HD3 ARG 5 2HD ARG 5 4.563 6.993 -2.223 32 HE ARG 5 HE ARG 5 1.853 5.772 -2.062 33 HH11 ARG 5 1HH1 ARG 5 3.877 8.044 -3.766 34 HH12 ARG 5 2HH1 ARG 5 2.877 7.871 -5.196 35 HH21 ARG 5 1HH2 ARG 5 0.694 5.570 -3.688 36 HH22 ARG 5 2HH2 ARG 5 1.062 6.462 -5.152 37 H THR 6 H THR 6 4.529 3.449 1.631 38 HA THR 6 HA THR 6 7.042 1.964 1.367 39 HB THR 6 HB THR 6 5.630 -0.036 1.441 40 HG1 THR 6 HG1 THR 6 3.322 0.268 1.557 41 HG21 THR 6 1HG2 THR 6 4.528 0.328 3.622 42 HG22 THR 6 2HG2 THR 6 6.135 1.094 3.581 43 HG23 THR 6 3HG2 THR 6 4.671 2.088 3.400 44 H GLN 7 H GLN 7 4.790 3.342 -0.797 45 HA GLN 7 HA GLN 7 5.383 1.436 -2.972 46 HB2 GLN 7 1HB GLN 7 3.886 4.065 -2.933 47 HB3 GLN 7 2HB GLN 7 4.006 2.959 -4.323 48 HG2 GLN 7 1HG GLN 7 2.347 2.359 -1.727 49 HG3 GLN 7 2HG GLN 7 2.040 2.751 -3.434 50 HE21 GLN 7 2HE2 GLN 7 2.182 0.295 -1.216 51 HE22 GLN 7 1HE2 GLN 7 2.468 -1.043 -2.279 52 H ASP 8 H ASP 8 6.341 4.666 -1.940 53 HA ASP 8 HA ASP 8 7.983 4.973 -4.408 54 HB2 ASP 8 1HB ASP 8 7.250 6.958 -2.175 55 HB3 ASP 8 2HB ASP 8 8.483 7.124 -3.449 56 H GLU 9 H GLU 9 8.269 4.416 -0.962 57 HA GLU 9 HA GLU 9 11.253 4.607 -1.227 58 HB2 GLU 9 1HB GLU 9 9.573 4.714 1.279 59 HB3 GLU 9 2HB GLU 9 11.326 4.992 1.134 60 HG2 GLU 9 1HG GLU 9 10.934 7.136 -0.043 61 HG3 GLU 9 2HG GLU 9 9.232 6.642 -0.206 62 H ASN 10 H ASN 10 12.514 2.943 -0.837 63 HA ASN 10 HA ASN 10 11.376 0.289 -0.606 64 HB2 ASN 10 1HB ASN 10 14.373 1.088 -0.334 65 HB3 ASN 10 2HB ASN 10 13.438 -0.424 -0.211 66 HD21 ASN 10 2HD2 ASN 10 15.531 0.522 -2.103 67 HD22 ASN 10 1HD2 ASN 10 14.841 0.310 -3.679 68 HA PRO 11 HA PRO 11 11.066 -0.311 3.656 69 HB2 PRO 11 1HB PRO 11 11.757 -2.751 3.686 70 HB3 PRO 11 2HB PRO 11 10.305 -2.220 3.171 71 HG2 PRO 11 1HG PRO 11 12.294 -3.019 1.690 72 HG3 PRO 11 2HG PRO 11 10.712 -3.327 1.439 73 HD2 PRO 11 1HD PRO 11 11.948 -1.588 0.151 74 HD3 PRO 11 2HD PRO 11 10.397 -1.398 0.623 75 H VAL 12 H VAL 12 13.908 -1.113 1.933 76 HA VAL 12 HA VAL 12 15.691 -1.207 4.243 77 HB VAL 12 HB VAL 12 16.202 -0.599 1.302 78 HG11 VAL 12 1HG1 VAL 12 18.582 -0.973 1.856 79 HG12 VAL 12 2HG1 VAL 12 17.926 0.415 2.756 80 HG13 VAL 12 3HG1 VAL 12 18.156 -1.149 3.574 81 HG21 VAL 12 3HG2 VAL 12 15.400 -2.854 1.681 82 HG22 VAL 12 1HG2 VAL 12 17.122 -2.861 1.235 83 HG23 VAL 12 2HG2 VAL 12 16.642 -3.106 2.932 84 H VAL 13 H VAL 13 14.634 1.382 2.061 85 HA VAL 13 HA VAL 13 16.192 3.471 3.319 86 HB VAL 13 HB VAL 13 13.526 3.552 1.846 87 HG11 VAL 13 1HG1 VAL 13 13.931 5.984 1.669 88 HG12 VAL 13 2HG1 VAL 13 13.773 5.484 3.369 89 HG13 VAL 13 3HG1 VAL 13 15.382 5.818 2.685 90 HG21 VAL 13 3HG2 VAL 13 15.367 2.794 0.465 91 HG22 VAL 13 1HG2 VAL 13 14.852 4.430 -0.010 92 HG23 VAL 13 2HG2 VAL 13 16.337 4.206 0.948 93 H HIS 14 H HIS 14 12.935 2.222 3.994 94 HA HIS 14 HA HIS 14 12.409 4.029 6.162 95 HB2 HIS 14 1HB HIS 14 11.365 1.242 5.510 96 HB3 HIS 14 2HB HIS 14 10.785 2.204 6.891 97 HD2 HIS 14 HD2 HIS 14 10.889 5.027 4.566 98 HE1 HIS 14 HE1 HIS 14 7.474 2.820 3.335 99 HE2 HIS 14 HE2 HIS 14 8.778 5.100 3.225 100 H PHE 15 H PHE 15 13.969 0.841 6.055 101 HA PHE 15 HA PHE 15 14.427 0.570 8.860 102 HB2 PHE 15 1HB PHE 15 14.830 -1.285 7.302 103 HB3 PHE 15 2HB PHE 15 16.121 -0.362 6.500 104 HD1 PHE 15 HD1 PHE 15 15.146 -1.743 9.821 105 HD2 PHE 15 HD2 PHE 15 18.294 -0.620 7.159 106 HE1 PHE 15 HE1 PHE 15 16.805 -2.711 11.377 107 HE2 PHE 15 HE2 PHE 15 19.955 -1.589 8.713 108 HZ PHE 15 HZ PHE 15 19.210 -2.633 10.823 109 H PHE 16 H PHE 16 16.366 2.184 6.346 110 HA PHE 16 HA PHE 16 18.483 2.993 8.122 111 HB2 PHE 16 1HB PHE 16 17.493 4.095 5.461 112 HB3 PHE 16 2HB PHE 16 18.924 4.721 6.311 113 HD1 PHE 16 HD1 PHE 16 19.326 1.612 7.281 114 HD2 PHE 16 HD2 PHE 16 19.130 3.763 3.595 115 HE1 PHE 16 HE1 PHE 16 20.726 -0.116 6.200 116 HE2 PHE 16 HE2 PHE 16 20.527 2.036 2.510 117 HZ PHE 16 HZ PHE 16 21.327 0.097 3.815 118 H LYS 17 H LYS 17 15.398 4.477 7.231 119 HA LYS 17 HA LYS 17 15.916 6.952 8.664 120 HB2 LYS 17 1HB LYS 17 13.425 5.596 7.645 121 HB3 LYS 17 2HB LYS 17 13.391 7.133 8.540 122 HG2 LYS 17 1HG LYS 17 14.859 8.137 6.800 123 HG3 LYS 17 2HG LYS 17 14.772 6.613 5.886 124 HD2 LYS 17 1HD LYS 17 12.407 6.853 5.556 125 HD3 LYS 17 2HD LYS 17 12.332 8.226 6.686 126 HE2 LYS 17 1HE LYS 17 13.804 9.517 5.155 127 HE3 LYS 17 2HE LYS 17 13.753 8.160 4.007 128 HZ1 LYS 17 3HZ LYS 17 11.423 9.720 4.919 129 HZ2 LYS 17 1HZ LYS 17 12.153 9.859 3.446 130 HZ3 LYS 17 2HZ LYS 17 11.375 8.462 3.854 131 H ASN 18 H ASN 18 14.690 3.797 9.551 132 HA ASN 18 HA ASN 18 13.717 4.659 12.170 133 HB2 ASN 18 1HB ASN 18 14.247 1.759 11.174 134 HB3 ASN 18 2HB ASN 18 13.798 2.500 12.729 135 HD21 ASN 18 2HD2 ASN 18 12.409 0.678 10.774 136 HD22 ASN 18 1HD2 ASN 18 10.871 1.429 10.502 137 H ILE 19 H ILE 19 16.791 4.260 10.846 138 HA ILE 19 HA ILE 19 18.051 3.676 13.483 139 HB ILE 19 HB ILE 19 19.209 4.169 10.703 140 HG12 ILE 19 1HG1 ILE 19 19.231 1.675 12.378 141 HG13 ILE 19 2HG1 ILE 19 18.023 2.030 11.122 142 HG21 ILE 19 1HG2 ILE 19 21.384 3.566 11.713 143 HG22 ILE 19 2HG2 ILE 19 20.713 5.032 12.464 144 HG23 ILE 19 3HG2 ILE 19 20.613 3.472 13.315 145 HD11 ILE 19 3HD1 ILE 19 21.019 1.773 10.685 146 HD12 ILE 19 1HD1 ILE 19 19.796 0.554 10.259 147 HD13 ILE 19 2HD1 ILE 19 19.811 2.129 9.429 148 H VAL 20 H VAL 20 17.763 6.337 11.161 149 HA VAL 20 HA VAL 20 19.487 8.039 12.897 150 HB VAL 20 HB VAL 20 19.256 9.700 11.100 151 HG11 VAL 20 1HG1 VAL 20 20.372 8.449 9.283 152 HG12 VAL 20 2HG1 VAL 20 21.009 7.970 10.874 153 HG13 VAL 20 3HG1 VAL 20 19.857 6.914 10.023 154 HG21 VAL 20 3HG2 VAL 20 16.960 9.257 10.466 155 HG22 VAL 20 1HG2 VAL 20 18.032 9.193 9.048 156 HG23 VAL 20 2HG2 VAL 20 17.432 7.685 9.779 157 H THR 21 H THR 21 16.125 7.495 12.259 158 HA THR 21 HA THR 21 15.600 9.538 14.388 159 HB THR 21 HB THR 21 13.399 9.983 13.377 160 HG1 THR 21 HG1 THR 21 14.336 8.314 11.251 161 HG21 THR 21 1HG2 THR 21 14.153 11.239 11.389 162 HG22 THR 21 2HG2 THR 21 15.300 11.426 12.737 163 HG23 THR 21 3HG2 THR 21 15.680 10.327 11.391 164 HA PRO 22 HA PRO 22 13.529 6.651 16.759 165 HB2 PRO 22 1HB PRO 22 11.373 8.325 16.596 166 HB3 PRO 22 2HB PRO 22 12.141 7.711 17.895 167 HG2 PRO 22 1HG PRO 22 12.796 9.848 16.555 168 HG3 PRO 22 2HG PRO 22 12.855 9.662 18.174 169 HD2 PRO 22 1HD PRO 22 13.266 9.961 14.842 170 HD3 PRO 22 2HD PRO 22 14.076 9.857 16.255 171 H ARG 23 H ARG 23 12.224 4.834 16.685 172 HA ARG 23 HA ARG 23 11.665 3.809 14.153 173 HB2 ARG 23 1HB ARG 23 10.340 3.177 16.749 174 HB3 ARG 23 2HB ARG 23 10.074 2.288 15.231 175 HG2 ARG 23 1HG ARG 23 12.486 1.744 15.153 176 HG3 ARG 23 2HG ARG 23 12.708 2.583 16.707 177 HD2 ARG 23 1HD ARG 23 11.227 0.985 17.769 178 HD3 ARG 23 2HD ARG 23 11.036 0.139 16.215 179 HE ARG 23 HE ARG 23 13.839 0.051 16.842 180 HH11 ARG 23 1HH1 ARG 23 10.881 -1.095 18.292 181 HH12 ARG 23 2HH1 ARG 23 11.741 -2.457 18.981 182 HH21 ARG 23 1HH2 ARG 23 14.838 -1.499 17.632 183 HH22 ARG 23 2HH2 ARG 23 13.998 -2.688 18.608 184 H THR 24 H THR 24 10.270 4.100 12.608 185 HA THR 24 HA THR 24 8.022 5.971 13.008 186 HB THR 24 HB THR 24 7.628 5.664 10.596 187 HG1 THR 24 HG1 THR 24 9.858 3.880 10.639 188 HG21 THR 24 1HG2 THR 24 9.775 6.555 9.758 189 HG22 THR 24 2HG2 THR 24 9.335 7.303 11.312 190 HG23 THR 24 3HG2 THR 24 10.577 6.030 11.258 191 HA PRO 25 HA PRO 25 4.938 3.107 13.630 192 HB2 PRO 25 1HB PRO 25 3.007 4.305 12.550 193 HB3 PRO 25 2HB PRO 25 3.735 4.835 13.908 194 HG2 PRO 25 1HG PRO 25 3.992 5.819 11.509 195 HG3 PRO 25 2HG PRO 25 3.890 6.666 12.900 196 HD2 PRO 25 1HD PRO 25 6.123 6.319 11.906 197 HD3 PRO 25 2HD PRO 25 5.919 6.246 13.523 198 HA PRO 26 HA PRO 26 4.108 0.455 10.331 199 HB2 PRO 26 1HB PRO 26 1.508 0.463 11.141 200 HB3 PRO 26 2HB PRO 26 2.564 -0.768 10.982 201 HG2 PRO 26 1HG PRO 26 2.243 0.757 13.070 202 HG3 PRO 26 2HG PRO 26 2.512 -0.851 13.075 203 HD2 PRO 26 1HD PRO 26 2.670 2.394 13.310 204 HD3 PRO 26 2HD PRO 26 3.552 1.038 13.522 205 HA PRO 27 HA PRO 27 2.650 2.611 6.892 206 HB2 PRO 27 1HB PRO 27 1.472 0.236 6.231 207 HB3 PRO 27 2HB PRO 27 2.481 1.191 5.378 208 HG2 PRO 27 1HG PRO 27 3.148 -0.640 7.108 209 HG3 PRO 27 2HG PRO 27 3.896 -0.320 5.694 210 HD2 PRO 27 1HD PRO 27 2.812 -0.690 8.836 211 HD3 PRO 27 2HD PRO 27 4.072 -0.164 7.945 212 H SER 28 H SER 28 0.911 3.826 6.240 213 HA SER 28 HA SER 28 -1.492 3.568 8.020 214 HB2 SER 28 1HB SER 28 -0.561 5.745 6.248 215 HB3 SER 28 2HB SER 28 -2.065 5.716 7.198 216 HG SER 28 HG SER 28 -0.343 6.755 8.293 217 H GLN 29 H GLN 29 -3.367 2.784 7.303 218 HA GLN 29 HA GLN 29 -3.607 1.801 4.564 219 HB2 GLN 29 1HB GLN 29 -4.556 0.625 6.508 220 HB3 GLN 29 2HB GLN 29 -5.637 2.009 6.799 221 HG2 GLN 29 1HG GLN 29 -6.780 1.420 4.428 222 HG3 GLN 29 2HG GLN 29 -5.426 0.267 4.501 223 HE21 GLN 29 2HE2 GLN 29 -8.066 -0.534 4.063 224 HE22 GLN 29 1HE2 GLN 29 -8.616 -1.438 5.435 225 H GLY 30 H GLY 30 -4.230 2.842 2.860 226 HA2 GLY 30 1HA GLY 30 -5.693 4.116 1.549 227 HA3 GLY 30 2HA GLY 30 -6.519 4.665 3.025 228 H LYS 31 H LYS 31 -3.058 4.880 2.884 229 HA LYS 31 HA LYS 31 -3.273 7.837 2.408 230 HB2 LYS 31 1HB LYS 31 -1.432 6.321 4.264 231 HB3 LYS 31 2HB LYS 31 -1.339 8.063 3.913 232 HG2 LYS 31 1HG LYS 31 -3.705 6.662 5.205 233 HG3 LYS 31 2HG LYS 31 -2.447 7.561 6.085 234 HD2 LYS 31 1HD LYS 31 -3.041 9.610 4.880 235 HD3 LYS 31 2HD LYS 31 -4.271 8.719 3.951 236 HE2 LYS 31 1HE LYS 31 -5.519 8.249 5.984 237 HE3 LYS 31 2HE LYS 31 -4.257 9.026 6.969 238 HZ1 LYS 31 3HZ LYS 31 -5.939 10.380 4.958 239 HZ2 LYS 31 1HZ LYS 31 -6.122 10.492 6.593 240 HZ3 LYS 31 2HZ LYS 31 -4.769 11.100 5.871 241 H GLY 32 H GLY 32 -2.635 5.399 0.664 242 HA2 GLY 32 1HA GLY 32 -1.490 5.616 -1.414 243 HA3 GLY 32 2HA GLY 32 -0.376 6.785 -0.668 244 H ARG 33 H ARG 33 -0.669 4.407 1.559 245 HA ARG 33 HA ARG 33 1.968 3.303 0.877 246 HB2 ARG 33 1HB ARG 33 0.174 3.139 3.219 247 HB3 ARG 33 2HB ARG 33 1.457 1.930 2.979 248 HG2 ARG 33 1HG ARG 33 2.274 3.683 4.433 249 HG3 ARG 33 2HG ARG 33 3.122 3.765 2.870 250 HD2 ARG 33 1HD ARG 33 1.768 5.616 2.196 251 HD3 ARG 33 2HD ARG 33 0.819 5.503 3.696 252 HE ARG 33 HE ARG 33 3.574 6.063 4.415 253 HH11 ARG 33 1HH1 ARG 33 0.907 7.635 2.809 254 HH12 ARG 33 2HH1 ARG 33 1.498 9.196 3.344 255 HH21 ARG 33 1HH2 ARG 33 4.268 7.844 5.028 256 HH22 ARG 33 2HH2 ARG 33 3.415 9.317 4.609 257 H GLY 34 H GLY 34 -1.367 2.319 0.631 258 HA2 GLY 34 1HA GLY 34 -2.156 0.639 -0.807 259 HA3 GLY 34 2HA GLY 34 -0.492 0.045 -1.014 260 H LEU 35 H LEU 35 -1.427 0.613 2.233 261 HA LEU 35 HA LEU 35 -1.154 -2.177 2.939 262 HB2 LEU 35 1HB LEU 35 -0.542 -0.407 4.314 263 HB3 LEU 35 2HB LEU 35 -2.189 0.219 4.555 264 HG LEU 35 HG LEU 35 -2.769 -2.044 5.560 265 HD11 LEU 35 1HD1 LEU 35 -0.836 -3.378 6.444 266 HD12 LEU 35 2HD1 LEU 35 -0.802 -3.289 4.668 267 HD13 LEU 35 3HD1 LEU 35 0.286 -2.261 5.632 268 HD21 LEU 35 3HD2 LEU 35 -2.460 -0.066 6.929 269 HD22 LEU 35 1HD2 LEU 35 -1.801 -1.492 7.765 270 HD23 LEU 35 2HD2 LEU 35 -0.702 -0.336 6.974 271 H SER 36 H SER 36 -2.513 -3.755 2.788 272 HA SER 36 HA SER 36 -5.306 -3.395 1.975 273 HB2 SER 36 1HB SER 36 -4.084 -5.181 1.159 274 HB3 SER 36 2HB SER 36 -3.788 -5.794 2.802 275 HG SER 36 HG SER 36 -5.557 -6.824 1.775 Start of MODEL 3 1 H1 SER 1 H SER 1 1.510 3.954 12.248 2 HA SER 1 HA SER 1 2.753 6.518 11.136 3 HB2 SER 1 1HB SER 1 3.464 4.113 9.573 4 HB3 SER 1 2HB SER 1 3.985 5.781 9.245 5 HG SER 1 HG SER 1 5.534 4.784 10.493 6 H GLN 2 H GLN 2 1.980 7.874 9.598 7 HA GLN 2 HA GLN 2 -0.602 7.339 8.414 8 HB2 GLN 2 1HB GLN 2 0.226 9.579 9.061 9 HB3 GLN 2 2HB GLN 2 1.437 9.478 7.761 10 HG2 GLN 2 1HG GLN 2 -0.667 9.417 6.050 11 HG3 GLN 2 2HG GLN 2 -1.451 9.443 7.647 12 HE21 GLN 2 2HE2 GLN 2 -2.056 11.315 5.685 13 HE22 GLN 2 1HE2 GLN 2 -1.472 12.870 6.179 14 H HIS 3 H HIS 3 -0.971 5.974 6.864 15 HA HIS 3 HA HIS 3 1.070 5.230 4.919 16 HB2 HIS 3 1HB HIS 3 -0.837 3.729 5.793 17 HB3 HIS 3 2HB HIS 3 -1.906 4.652 4.709 18 HD2 HIS 3 HD2 HIS 3 0.306 1.492 4.536 19 HE1 HIS 3 HE1 HIS 3 -0.305 2.889 0.571 20 HE2 HIS 3 HE2 HIS 3 0.526 0.926 2.110 21 H GLY 4 H GLY 4 1.606 6.153 3.117 22 HA2 GLY 4 1HA GLY 4 -0.066 8.404 2.148 23 HA3 GLY 4 2HA GLY 4 1.622 8.067 1.699 24 H ARG 5 H ARG 5 1.108 8.291 -0.517 25 HA ARG 5 HA ARG 5 -0.813 6.396 -1.722 26 HB2 ARG 5 1HB ARG 5 0.967 8.455 -2.946 27 HB3 ARG 5 2HB ARG 5 -0.131 7.375 -3.834 28 HG2 ARG 5 1HG ARG 5 -2.049 8.340 -2.631 29 HG3 ARG 5 2HG ARG 5 -0.946 9.430 -1.756 30 HD2 ARG 5 1HD ARG 5 -0.313 10.446 -3.879 31 HD3 ARG 5 2HD ARG 5 -1.484 9.395 -4.708 32 HE ARG 5 HE ARG 5 -2.962 10.965 -2.787 33 HH11 ARG 5 1HH1 ARG 5 -1.075 11.522 -5.666 34 HH12 ARG 5 2HH1 ARG 5 -2.055 12.925 -6.045 35 HH21 ARG 5 1HH2 ARG 5 -4.088 12.575 -3.202 36 HH22 ARG 5 2HH2 ARG 5 -3.772 13.527 -4.640 37 H THR 6 H THR 6 -0.375 4.726 -3.066 38 HA THR 6 HA THR 6 2.236 3.433 -2.557 39 HB THR 6 HB THR 6 1.237 1.480 -3.678 40 HG1 THR 6 HG1 THR 6 -0.974 1.663 -4.378 41 HG21 THR 6 1HG2 THR 6 -0.605 1.050 -2.089 42 HG22 THR 6 2HG2 THR 6 0.777 1.824 -1.275 43 HG23 THR 6 3HG2 THR 6 -0.664 2.782 -1.689 44 H GLN 7 H GLN 7 3.674 3.293 -5.747 45 HA GLN 7 HA GLN 7 3.129 1.953 -3.176 46 HB2 GLN 7 1HB GLN 7 5.450 1.841 -5.112 47 HB3 GLN 7 2HB GLN 7 5.330 0.881 -3.620 48 HG2 GLN 7 1HG GLN 7 3.353 0.490 -6.038 49 HG3 GLN 7 2HG GLN 7 4.880 -0.263 -5.521 50 HE21 GLN 7 2HE2 GLN 7 1.568 -0.502 -5.418 51 HE22 GLN 7 1HE2 GLN 7 1.395 -1.500 -4.014 52 H ASP 8 H ASP 8 4.284 2.099 -1.316 53 HA ASP 8 HA ASP 8 5.459 4.723 -0.781 54 HB2 ASP 8 1HB ASP 8 5.143 2.219 0.980 55 HB3 ASP 8 2HB ASP 8 5.967 3.753 1.357 56 H GLU 9 H GLU 9 7.523 4.780 0.568 57 HA GLU 9 HA GLU 9 9.676 4.062 -1.196 58 HB2 GLU 9 1HB GLU 9 9.597 4.969 1.681 59 HB3 GLU 9 2HB GLU 9 11.105 4.698 0.773 60 HG2 GLU 9 1HG GLU 9 10.415 6.515 -0.854 61 HG3 GLU 9 2HG GLU 9 8.909 6.608 0.087 62 H ASN 10 H ASN 10 11.561 2.792 -0.666 63 HA ASN 10 HA ASN 10 10.754 0.065 -0.211 64 HB2 ASN 10 1HB ASN 10 13.673 1.132 -0.392 65 HB3 ASN 10 2HB ASN 10 12.898 -0.455 -0.163 66 HD21 ASN 10 2HD2 ASN 10 14.592 0.698 -2.327 67 HD22 ASN 10 1HD2 ASN 10 13.693 0.436 -3.785 68 HA PRO 11 HA PRO 11 11.063 -0.455 4.042 69 HB2 PRO 11 1HB PRO 11 11.905 -2.854 4.002 70 HB3 PRO 11 2HB PRO 11 10.365 -2.416 3.698 71 HG2 PRO 11 1HG PRO 11 12.165 -3.121 1.951 72 HG3 PRO 11 2HG PRO 11 10.584 -3.522 1.932 73 HD2 PRO 11 1HD PRO 11 11.570 -1.752 0.470 74 HD3 PRO 11 2HD PRO 11 10.084 -1.642 1.133 75 H VAL 12 H VAL 12 13.705 -1.126 1.981 76 HA VAL 12 HA VAL 12 15.761 -1.130 4.058 77 HB VAL 12 HB VAL 12 15.887 -0.554 1.069 78 HG11 VAL 12 1HG1 VAL 12 18.329 -0.842 1.331 79 HG12 VAL 12 2HG1 VAL 12 17.740 0.539 2.287 80 HG13 VAL 12 3HG1 VAL 12 18.122 -1.003 3.090 81 HG21 VAL 12 3HG2 VAL 12 15.215 -2.827 1.572 82 HG22 VAL 12 1HG2 VAL 12 16.870 -2.787 0.917 83 HG23 VAL 12 2HG2 VAL 12 16.609 -3.018 2.662 84 H VAL 13 H VAL 13 14.356 1.387 1.990 85 HA VAL 13 HA VAL 13 15.992 3.541 3.018 86 HB VAL 13 HB VAL 13 13.170 3.521 1.870 87 HG11 VAL 13 1HG1 VAL 13 13.479 5.959 1.607 88 HG12 VAL 13 2HG1 VAL 13 13.538 5.489 3.322 89 HG13 VAL 13 3HG1 VAL 13 15.044 5.853 2.447 90 HG21 VAL 13 3HG2 VAL 13 14.856 2.786 0.293 91 HG22 VAL 13 1HG2 VAL 13 14.240 4.397 -0.143 92 HG23 VAL 13 2HG2 VAL 13 15.833 4.233 0.634 93 H HIS 14 H HIS 14 12.964 2.104 4.154 94 HA HIS 14 HA HIS 14 12.648 4.074 6.277 95 HB2 HIS 14 1HB HIS 14 11.371 1.347 5.792 96 HB3 HIS 14 2HB HIS 14 10.927 2.435 7.129 97 HD2 HIS 14 HD2 HIS 14 9.656 1.688 3.608 98 HE1 HIS 14 HE1 HIS 14 8.647 5.724 4.476 99 HE2 HIS 14 HE2 HIS 14 8.278 3.652 2.899 100 H PHE 15 H PHE 15 14.230 0.952 5.971 101 HA PHE 15 HA PHE 15 14.823 0.527 8.736 102 HB2 PHE 15 1HB PHE 15 15.272 -1.200 7.054 103 HB3 PHE 15 2HB PHE 15 16.453 -0.144 6.246 104 HD1 PHE 15 HD1 PHE 15 15.750 -1.905 9.441 105 HD2 PHE 15 HD2 PHE 15 18.674 -0.165 6.858 106 HE1 PHE 15 HE1 PHE 15 17.551 -2.845 10.850 107 HE2 PHE 15 HE2 PHE 15 20.478 -1.105 8.263 108 HZ PHE 15 HZ PHE 15 19.915 -2.444 10.261 109 H PHE 16 H PHE 16 16.741 2.232 6.241 110 HA PHE 16 HA PHE 16 18.722 3.286 7.980 111 HB2 PHE 16 1HB PHE 16 18.930 3.487 5.552 112 HB3 PHE 16 2HB PHE 16 17.470 4.500 5.479 113 HD1 PHE 16 HD1 PHE 16 20.958 4.364 6.710 114 HD2 PHE 16 HD2 PHE 16 17.570 6.801 5.799 115 HE1 PHE 16 HE1 PHE 16 22.352 6.390 6.956 116 HE2 PHE 16 HE2 PHE 16 18.961 8.830 6.043 117 HZ PHE 16 HZ PHE 16 21.353 8.624 6.623 118 H LYS 17 H LYS 17 15.564 4.677 7.070 119 HA LYS 17 HA LYS 17 15.922 7.069 8.637 120 HB2 LYS 17 1HB LYS 17 13.497 5.652 7.541 121 HB3 LYS 17 2HB LYS 17 13.404 7.177 8.454 122 HG2 LYS 17 1HG LYS 17 14.826 8.269 6.759 123 HG3 LYS 17 2HG LYS 17 14.890 6.748 5.840 124 HD2 LYS 17 1HD LYS 17 12.511 6.812 5.443 125 HD3 LYS 17 2HD LYS 17 12.324 8.212 6.524 126 HE2 LYS 17 1HE LYS 17 13.682 9.580 5.017 127 HE3 LYS 17 2HE LYS 17 13.919 8.181 3.944 128 HZ1 LYS 17 3HZ LYS 17 11.329 9.456 4.551 129 HZ2 LYS 17 1HZ LYS 17 12.177 9.628 3.146 130 HZ3 LYS 17 2HZ LYS 17 11.549 8.158 3.556 131 H ASN 18 H ASN 18 14.741 3.856 9.400 132 HA ASN 18 HA ASN 18 13.584 4.527 11.958 133 HB2 ASN 18 1HB ASN 18 13.328 2.152 10.647 134 HB3 ASN 18 2HB ASN 18 14.994 2.152 11.274 135 HD21 ASN 18 2HD2 ASN 18 15.086 0.752 12.849 136 HD22 ASN 18 1HD2 ASN 18 13.984 0.636 14.180 137 H ILE 19 H ILE 19 16.864 3.974 10.875 138 HA ILE 19 HA ILE 19 17.918 3.719 13.618 139 HB ILE 19 HB ILE 19 19.269 4.077 10.905 140 HG12 ILE 19 1HG1 ILE 19 19.207 1.685 12.720 141 HG13 ILE 19 2HG1 ILE 19 18.084 1.945 11.365 142 HG21 ILE 19 1HG2 ILE 19 21.372 3.573 12.098 143 HG22 ILE 19 2HG2 ILE 19 20.630 5.067 12.715 144 HG23 ILE 19 3HG2 ILE 19 20.492 3.558 13.645 145 HD11 ILE 19 3HD1 ILE 19 21.107 1.718 11.151 146 HD12 ILE 19 1HD1 ILE 19 19.935 0.455 10.713 147 HD13 ILE 19 2HD1 ILE 19 19.984 1.979 9.797 148 H VAL 20 H VAL 20 17.732 6.260 11.157 149 HA VAL 20 HA VAL 20 19.356 8.047 12.921 150 HB VAL 20 HB VAL 20 19.418 9.548 11.003 151 HG11 VAL 20 1HG1 VAL 20 20.592 8.113 9.369 152 HG12 VAL 20 2HG1 VAL 20 21.054 7.696 11.036 153 HG13 VAL 20 3HG1 VAL 20 19.906 6.666 10.147 154 HG21 VAL 20 3HG2 VAL 20 17.159 9.221 10.191 155 HG22 VAL 20 1HG2 VAL 20 18.341 8.994 8.882 156 HG23 VAL 20 2HG2 VAL 20 17.573 7.580 9.642 157 H THR 21 H THR 21 16.094 7.378 12.203 158 HA THR 21 HA THR 21 15.348 9.905 13.637 159 HB THR 21 HB THR 21 13.779 8.554 11.401 160 HG1 THR 21 HG1 THR 21 14.279 10.541 10.298 161 HG21 THR 21 1HG2 THR 21 12.282 10.506 11.621 162 HG22 THR 21 2HG2 THR 21 12.353 9.578 13.139 163 HG23 THR 21 3HG2 THR 21 13.259 11.102 12.984 164 HA PRO 22 HA PRO 22 13.770 7.062 16.431 165 HB2 PRO 22 1HB PRO 22 12.730 8.803 17.948 166 HB3 PRO 22 2HB PRO 22 14.332 8.516 17.858 167 HG2 PRO 22 1HG PRO 22 13.043 10.531 16.824 168 HG3 PRO 22 2HG PRO 22 14.505 10.581 17.545 169 HD2 PRO 22 1HD PRO 22 14.278 10.609 15.069 170 HD3 PRO 22 2HD PRO 22 15.481 9.805 15.823 171 H ARG 23 H ARG 23 11.858 9.449 14.908 172 HA ARG 23 HA ARG 23 9.286 8.326 15.666 173 HB2 ARG 23 1HB ARG 23 10.038 10.170 13.443 174 HB3 ARG 23 2HB ARG 23 8.383 9.667 13.861 175 HG2 ARG 23 1HG ARG 23 8.590 10.710 16.054 176 HG3 ARG 23 2HG ARG 23 10.279 11.153 15.706 177 HD2 ARG 23 1HD ARG 23 9.505 12.588 13.901 178 HD3 ARG 23 2HD ARG 23 7.824 12.174 14.313 179 HE ARG 23 HE ARG 23 9.014 13.392 16.651 180 HH11 ARG 23 1HH1 ARG 23 8.162 14.310 13.396 181 HH12 ARG 23 2HH1 ARG 23 7.880 15.955 13.929 182 HH21 ARG 23 1HH2 ARG 23 8.703 15.273 17.274 183 HH22 ARG 23 2HH2 ARG 23 8.188 16.507 16.140 184 H THR 24 H THR 24 8.045 6.838 14.775 185 HA THR 24 HA THR 24 9.276 4.793 13.203 186 HB THR 24 HB THR 24 6.300 5.346 13.553 187 HG1 THR 24 HG1 THR 24 6.548 3.837 15.306 188 HG21 THR 24 1HG2 THR 24 6.077 2.920 13.143 189 HG22 THR 24 2HG2 THR 24 6.833 3.738 11.754 190 HG23 THR 24 3HG2 THR 24 7.834 2.802 12.888 191 HA PRO 25 HA PRO 25 9.165 6.633 9.282 192 HB2 PRO 25 1HB PRO 25 9.779 4.048 8.664 193 HB3 PRO 25 2HB PRO 25 10.541 5.437 8.285 194 HG2 PRO 25 1HG PRO 25 10.839 4.033 10.459 195 HG3 PRO 25 2HG PRO 25 12.018 4.786 9.622 196 HD2 PRO 25 1HD PRO 25 9.708 3.746 11.746 197 HD3 PRO 25 2HD PRO 25 10.841 4.898 11.519 198 HA PRO 26 HA PRO 26 5.287 5.757 7.622 199 HB2 PRO 26 1HB PRO 26 6.559 6.016 5.224 200 HB3 PRO 26 2HB PRO 26 5.257 6.793 5.822 201 HG2 PRO 26 1HG PRO 26 7.760 7.424 6.187 202 HG3 PRO 26 2HG PRO 26 6.524 8.459 5.938 203 HD2 PRO 26 1HD PRO 26 8.990 6.569 7.062 204 HD3 PRO 26 2HD PRO 26 7.925 7.721 7.513 205 HA PRO 27 HA PRO 27 4.969 1.598 6.615 206 HB2 PRO 27 1HB PRO 27 3.223 2.399 4.674 207 HB3 PRO 27 2HB PRO 27 3.036 1.332 5.892 208 HG2 PRO 27 1HG PRO 27 2.697 3.914 6.007 209 HG3 PRO 27 2HG PRO 27 1.775 2.780 6.732 210 HD2 PRO 27 1HD PRO 27 3.885 5.186 5.810 211 HD3 PRO 27 2HD PRO 27 3.303 4.392 7.110 212 H SER 28 H SER 28 5.768 -0.001 5.243 213 HA SER 28 HA SER 28 7.815 1.064 3.386 214 HB2 SER 28 1HB SER 28 8.642 -1.057 3.275 215 HB3 SER 28 2HB SER 28 8.300 -0.645 4.971 216 HG SER 28 HG SER 28 7.626 -2.762 4.418 217 H GLN 29 H GLN 29 8.082 0.190 1.236 218 HA GLN 29 HA GLN 29 5.917 0.349 -0.524 219 HB2 GLN 29 1HB GLN 29 8.352 0.220 -1.098 220 HB3 GLN 29 2HB GLN 29 8.271 -1.531 -0.793 221 HG2 GLN 29 1HG GLN 29 6.476 -1.609 -2.835 222 HG3 GLN 29 2HG GLN 29 6.871 0.121 -2.705 223 HE21 GLN 29 2HE2 GLN 29 8.236 0.804 -4.208 224 HE22 GLN 29 1HE2 GLN 29 9.503 -0.126 -4.936 225 H GLY 30 H GLY 30 4.195 -0.760 -0.973 226 HA2 GLY 30 1HA GLY 30 3.415 -3.048 0.520 227 HA3 GLY 30 2HA GLY 30 2.643 -2.472 -0.976 228 H LYS 31 H LYS 31 4.652 -2.750 -2.824 229 HA LYS 31 HA LYS 31 4.643 -5.571 -3.389 230 HB2 LYS 31 1HB LYS 31 6.242 -3.261 -4.490 231 HB3 LYS 31 2HB LYS 31 6.360 -4.926 -5.108 232 HG2 LYS 31 1HG LYS 31 3.977 -4.880 -5.710 233 HG3 LYS 31 2HG LYS 31 3.846 -3.221 -5.077 234 HD2 LYS 31 1HD LYS 31 5.503 -2.463 -6.742 235 HD3 LYS 31 2HD LYS 31 5.610 -4.120 -7.381 236 HE2 LYS 31 1HE LYS 31 3.233 -4.058 -7.976 237 HE3 LYS 31 2HE LYS 31 3.105 -2.412 -7.316 238 HZ1 LYS 31 3HZ LYS 31 4.792 -3.217 -9.598 239 HZ2 LYS 31 1HZ LYS 31 3.366 -2.396 -9.703 240 HZ3 LYS 31 2HZ LYS 31 4.674 -1.690 -8.986 241 H GLY 32 H GLY 32 6.987 -3.445 -1.834 242 HA2 GLY 32 1HA GLY 32 9.102 -5.416 -1.756 243 HA3 GLY 32 2HA GLY 32 8.998 -3.930 -0.784 244 H ARG 33 H ARG 33 6.317 -4.665 0.248 245 HA ARG 33 HA ARG 33 7.180 -6.376 2.472 246 HB2 ARG 33 1HB ARG 33 5.777 -4.457 2.844 247 HB3 ARG 33 2HB ARG 33 4.490 -5.222 1.883 248 HG2 ARG 33 1HG ARG 33 4.263 -7.003 3.494 249 HG3 ARG 33 2HG ARG 33 5.676 -6.416 4.404 250 HD2 ARG 33 1HD ARG 33 4.464 -4.401 4.975 251 HD3 ARG 33 2HD ARG 33 3.051 -5.000 4.075 252 HE ARG 33 HE ARG 33 3.683 -6.878 6.217 253 HH11 ARG 33 1HH1 ARG 33 2.377 -3.677 5.760 254 HH12 ARG 33 2HH1 ARG 33 1.415 -3.856 7.215 255 HH21 ARG 33 1HH2 ARG 33 2.595 -7.094 7.889 256 HH22 ARG 33 2HH2 ARG 33 1.540 -5.803 8.431 257 H GLY 34 H GLY 34 5.194 -6.708 -0.420 258 HA2 GLY 34 1HA GLY 34 5.110 -8.949 -1.431 259 HA3 GLY 34 2HA GLY 34 4.989 -9.627 0.209 260 H LEU 35 H LEU 35 3.259 -6.704 -0.420 261 HA LEU 35 HA LEU 35 0.700 -8.261 -0.467 262 HB2 LEU 35 1HB LEU 35 1.323 -5.484 0.301 263 HB3 LEU 35 2HB LEU 35 -0.317 -6.146 0.482 264 HG LEU 35 HG LEU 35 2.178 -6.974 2.014 265 HD11 LEU 35 1HD1 LEU 35 0.889 -6.141 3.998 266 HD12 LEU 35 2HD1 LEU 35 1.129 -4.851 2.797 267 HD13 LEU 35 3HD1 LEU 35 -0.444 -5.673 2.916 268 HD21 LEU 35 3HD2 LEU 35 0.814 -8.916 1.523 269 HD22 LEU 35 1HD2 LEU 35 0.699 -8.515 3.253 270 HD23 LEU 35 2HD2 LEU 35 -0.635 -8.094 2.150 271 H SER 36 H SER 36 -1.035 -7.560 -1.730 272 HA SER 36 HA SER 36 -0.702 -5.462 -3.784 273 HB2 SER 36 1HB SER 36 0.800 -6.968 -4.708 274 HB3 SER 36 2HB SER 36 -0.400 -8.277 -4.640 275 HG SER 36 HG SER 36 -0.310 -7.261 -6.689 Start of MODEL 4 1 H1 SER 1 H SER 1 14.116 14.849 16.330 2 HA SER 1 HA SER 1 11.102 15.193 15.940 3 HB2 SER 1 1HB SER 1 11.946 17.002 14.796 4 HB3 SER 1 2HB SER 1 12.679 15.955 13.559 5 HG SER 1 HG SER 1 10.540 15.229 13.082 6 H GLN 2 H GLN 2 9.847 13.476 15.606 7 HA GLN 2 HA GLN 2 10.810 11.045 14.362 8 HB2 GLN 2 1HB GLN 2 9.104 11.070 16.116 9 HB3 GLN 2 2HB GLN 2 8.011 11.972 15.040 10 HG2 GLN 2 1HG GLN 2 7.929 9.790 13.492 11 HG3 GLN 2 2HG GLN 2 9.190 9.358 14.670 12 HE21 GLN 2 2HE2 GLN 2 7.430 7.487 14.512 13 HE22 GLN 2 1HE2 GLN 2 6.249 7.530 15.779 14 H HIS 3 H HIS 3 10.901 10.443 12.353 15 HA HIS 3 HA HIS 3 9.994 12.073 10.169 16 HB2 HIS 3 1HB HIS 3 11.811 10.277 10.076 17 HB3 HIS 3 2HB HIS 3 10.502 9.072 10.076 18 HD2 HIS 3 HD2 HIS 3 12.410 11.348 7.517 19 HE1 HIS 3 HE1 HIS 3 9.038 9.611 5.604 20 HE2 HIS 3 HE2 HIS 3 11.278 10.957 5.321 21 H GLY 4 H GLY 4 8.218 12.142 8.972 22 HA2 GLY 4 1HA GLY 4 5.802 11.218 10.288 23 HA3 GLY 4 2HA GLY 4 5.904 12.136 8.768 24 H ARG 5 H ARG 5 4.003 10.347 8.723 25 HA ARG 5 HA ARG 5 4.696 7.627 8.179 26 HB2 ARG 5 1HB ARG 5 2.470 8.418 8.770 27 HB3 ARG 5 2HB ARG 5 2.328 9.113 7.138 28 HG2 ARG 5 1HG ARG 5 2.544 6.894 6.147 29 HG3 ARG 5 2HG ARG 5 2.765 6.176 7.762 30 HD2 ARG 5 1HD ARG 5 0.300 7.549 6.735 31 HD3 ARG 5 2HD ARG 5 0.550 5.796 6.910 32 HE ARG 5 HE ARG 5 -0.174 7.600 9.148 33 HH11 ARG 5 1HH1 ARG 5 1.239 4.526 8.300 34 HH12 ARG 5 2HH1 ARG 5 0.920 3.926 9.915 35 HH21 ARG 5 1HH2 ARG 5 -0.554 6.924 11.000 36 HH22 ARG 5 2HH2 ARG 5 -0.104 5.293 11.456 37 H THR 6 H THR 6 5.582 6.629 6.555 38 HA THR 6 HA THR 6 6.550 8.233 4.299 39 HB THR 6 HB THR 6 7.685 6.171 3.595 40 HG1 THR 6 HG1 THR 6 7.319 4.245 4.700 41 HG21 THR 6 1HG2 THR 6 9.082 5.800 5.598 42 HG22 THR 6 2HG2 THR 6 8.736 7.531 5.370 43 HG23 THR 6 3HG2 THR 6 7.853 6.602 6.605 44 H GLN 7 H GLN 7 6.377 7.542 2.073 45 HA GLN 7 HA GLN 7 3.659 6.414 1.499 46 HB2 GLN 7 1HB GLN 7 5.073 8.759 0.211 47 HB3 GLN 7 2HB GLN 7 3.607 7.985 -0.434 48 HG2 GLN 7 1HG GLN 7 2.410 8.781 1.880 49 HG3 GLN 7 2HG GLN 7 4.085 9.355 2.063 50 HE21 GLN 7 2HE2 GLN 7 2.035 11.132 2.334 51 HE22 GLN 7 1HE2 GLN 7 1.981 12.203 0.974 52 H ASP 8 H ASP 8 4.231 4.415 0.911 53 HA ASP 8 HA ASP 8 5.091 2.738 -0.457 54 HB2 ASP 8 1HB ASP 8 3.680 4.317 -2.115 55 HB3 ASP 8 2HB ASP 8 5.346 4.795 -2.525 56 H GLU 9 H GLU 9 7.014 3.837 1.124 57 HA GLU 9 HA GLU 9 9.380 4.149 -0.676 58 HB2 GLU 9 1HB GLU 9 8.978 4.599 2.284 59 HB3 GLU 9 2HB GLU 9 10.552 4.694 1.458 60 HG2 GLU 9 1HG GLU 9 9.689 6.631 0.082 61 HG3 GLU 9 2HG GLU 9 8.129 6.348 0.885 62 H ASN 10 H ASN 10 11.360 3.038 -0.120 63 HA ASN 10 HA ASN 10 10.773 0.190 -0.093 64 HB2 ASN 10 1HB ASN 10 13.575 1.542 -0.182 65 HB3 ASN 10 2HB ASN 10 12.962 -0.128 -0.120 66 HD21 ASN 10 2HD2 ASN 10 14.484 1.416 -2.166 67 HD22 ASN 10 1HD2 ASN 10 13.580 1.227 -3.632 68 HA PRO 11 HA PRO 11 11.281 -0.799 4.061 69 HB2 PRO 11 1HB PRO 11 12.240 -3.118 3.738 70 HB3 PRO 11 2HB PRO 11 10.677 -2.739 3.476 71 HG2 PRO 11 1HG PRO 11 12.512 -3.143 1.671 72 HG3 PRO 11 2HG PRO 11 10.957 -3.631 1.601 73 HD2 PRO 11 1HD PRO 11 11.730 -1.631 0.347 74 HD3 PRO 11 2HD PRO 11 10.265 -1.692 1.061 75 H VAL 12 H VAL 12 13.884 -1.079 1.860 76 HA VAL 12 HA VAL 12 16.003 -1.122 3.877 77 HB VAL 12 HB VAL 12 15.994 -0.285 0.949 78 HG11 VAL 12 1HG1 VAL 12 18.457 -0.415 1.122 79 HG12 VAL 12 2HG1 VAL 12 17.802 0.831 2.211 80 HG13 VAL 12 3HG1 VAL 12 18.317 -0.742 2.866 81 HG21 VAL 12 3HG2 VAL 12 15.501 -2.636 1.265 82 HG22 VAL 12 1HG2 VAL 12 17.126 -2.418 0.576 83 HG23 VAL 12 2HG2 VAL 12 16.938 -2.818 2.300 84 H VAL 13 H VAL 13 14.408 1.460 2.029 85 HA VAL 13 HA VAL 13 15.852 3.625 3.301 86 HB VAL 13 HB VAL 13 13.065 3.496 2.079 87 HG11 VAL 13 1HG1 VAL 13 13.173 5.966 2.071 88 HG12 VAL 13 2HG1 VAL 13 13.235 5.328 3.731 89 HG13 VAL 13 3HG1 VAL 13 14.724 5.902 2.941 90 HG21 VAL 13 3HG2 VAL 13 14.838 3.067 0.485 91 HG22 VAL 13 1HG2 VAL 13 14.099 4.659 0.195 92 HG23 VAL 13 2HG2 VAL 13 15.684 4.547 0.998 93 H HIS 14 H HIS 14 12.884 1.899 4.186 94 HA HIS 14 HA HIS 14 12.302 3.453 6.513 95 HB2 HIS 14 1HB HIS 14 11.763 0.525 5.855 96 HB3 HIS 14 2HB HIS 14 11.125 1.353 7.296 97 HD2 HIS 14 HD2 HIS 14 10.427 4.163 5.106 98 HE1 HIS 14 HE1 HIS 14 7.504 1.294 3.976 99 HE2 HIS 14 HE2 HIS 14 8.261 3.810 3.904 100 H PHE 15 H PHE 15 14.331 0.554 6.106 101 HA PHE 15 HA PHE 15 15.080 0.238 8.826 102 HB2 PHE 15 1HB PHE 15 15.628 -1.439 7.109 103 HB3 PHE 15 2HB PHE 15 16.714 -0.284 6.305 104 HD1 PHE 15 HD1 PHE 15 16.181 -2.147 9.471 105 HD2 PHE 15 HD2 PHE 15 18.934 -0.113 6.914 106 HE1 PHE 15 HE1 PHE 15 18.062 -2.954 10.858 107 HE2 PHE 15 HE2 PHE 15 20.818 -0.920 8.297 108 HZ PHE 15 HZ PHE 15 20.381 -2.340 10.271 109 H PHE 16 H PHE 16 16.713 2.133 6.273 110 HA PHE 16 HA PHE 16 18.762 3.192 7.952 111 HB2 PHE 16 1HB PHE 16 18.892 3.370 5.511 112 HB3 PHE 16 2HB PHE 16 17.435 4.390 5.482 113 HD1 PHE 16 HD1 PHE 16 20.956 4.240 6.620 114 HD2 PHE 16 HD2 PHE 16 17.560 6.690 5.775 115 HE1 PHE 16 HE1 PHE 16 22.368 6.260 6.816 116 HE2 PHE 16 HE2 PHE 16 18.968 8.712 5.968 117 HZ PHE 16 HZ PHE 16 21.373 8.496 6.490 118 H LYS 17 H LYS 17 15.540 4.498 7.154 119 HA LYS 17 HA LYS 17 16.009 6.966 8.606 120 HB2 LYS 17 1HB LYS 17 13.548 5.607 7.517 121 HB3 LYS 17 2HB LYS 17 13.488 7.150 8.402 122 HG2 LYS 17 1HG LYS 17 15.021 8.136 6.701 123 HG3 LYS 17 2HG LYS 17 14.941 6.609 5.791 124 HD2 LYS 17 1HD LYS 17 12.566 6.869 5.438 125 HD3 LYS 17 2HD LYS 17 12.520 8.289 6.511 126 HE2 LYS 17 1HE LYS 17 14.028 9.483 4.950 127 HE3 LYS 17 2HE LYS 17 13.989 8.076 3.864 128 HZ1 LYS 17 3HZ LYS 17 11.657 9.706 4.644 129 HZ2 LYS 17 1HZ LYS 17 12.425 9.768 3.185 130 HZ3 LYS 17 2HZ LYS 17 11.619 8.401 3.636 131 H ASN 18 H ASN 18 14.826 3.807 9.488 132 HA ASN 18 HA ASN 18 13.645 4.689 12.014 133 HB2 ASN 18 1HB ASN 18 14.295 1.785 11.101 134 HB3 ASN 18 2HB ASN 18 13.727 2.538 12.611 135 HD21 ASN 18 2HD2 ASN 18 12.446 0.634 10.760 136 HD22 ASN 18 1HD2 ASN 18 10.941 1.364 10.312 137 H ILE 19 H ILE 19 16.806 4.395 10.929 138 HA ILE 19 HA ILE 19 17.847 3.934 13.701 139 HB ILE 19 HB ILE 19 19.249 4.101 10.994 140 HG12 ILE 19 1HG1 ILE 19 19.009 1.775 12.878 141 HG13 ILE 19 2HG1 ILE 19 17.920 2.065 11.502 142 HG21 ILE 19 1HG2 ILE 19 21.296 3.501 12.246 143 HG22 ILE 19 2HG2 ILE 19 20.640 5.059 12.800 144 HG23 ILE 19 3HG2 ILE 19 20.388 3.590 13.773 145 HD11 ILE 19 3HD1 ILE 19 20.925 1.640 11.335 146 HD12 ILE 19 1HD1 ILE 19 19.678 0.441 10.919 147 HD13 ILE 19 2HD1 ILE 19 19.836 1.930 9.958 148 H VAL 20 H VAL 20 17.960 6.314 11.066 149 HA VAL 20 HA VAL 20 19.535 8.168 12.762 150 HB VAL 20 HB VAL 20 19.375 9.682 10.818 151 HG11 VAL 20 1HG1 VAL 20 20.627 8.296 9.196 152 HG12 VAL 20 2HG1 VAL 20 21.170 7.983 10.862 153 HG13 VAL 20 3HG1 VAL 20 20.095 6.825 10.043 154 HG21 VAL 20 3HG2 VAL 20 17.132 9.126 10.086 155 HG22 VAL 20 1HG2 VAL 20 18.293 8.958 8.749 156 HG23 VAL 20 2HG2 VAL 20 17.677 7.510 9.580 157 H THR 21 H THR 21 16.201 7.609 11.973 158 HA THR 21 HA THR 21 15.571 9.786 13.926 159 HB THR 21 HB THR 21 13.532 10.341 12.664 160 HG1 THR 21 HG1 THR 21 13.307 8.309 11.578 161 HG21 THR 21 1HG2 THR 21 14.585 11.490 10.748 162 HG22 THR 21 2HG2 THR 21 15.584 11.642 12.213 163 HG23 THR 21 3HG2 THR 21 16.038 10.483 10.942 164 HA PRO 22 HA PRO 22 12.982 7.076 16.043 165 HB2 PRO 22 1HB PRO 22 11.032 8.944 15.645 166 HB3 PRO 22 2HB PRO 22 11.599 8.282 17.022 167 HG2 PRO 22 1HG PRO 22 12.578 10.338 15.755 168 HG3 PRO 22 2HG PRO 22 12.445 10.167 17.371 169 HD2 PRO 22 1HD PRO 22 13.307 10.400 14.163 170 HD3 PRO 22 2HD PRO 22 13.916 10.208 15.664 171 H ARG 23 H ARG 23 11.291 5.525 15.860 172 HA ARG 23 HA ARG 23 11.232 4.428 13.273 173 HB2 ARG 23 1HB ARG 23 9.360 4.012 15.555 174 HB3 ARG 23 2HB ARG 23 9.309 3.100 14.028 175 HG2 ARG 23 1HG ARG 23 11.589 2.287 14.429 176 HG3 ARG 23 2HG ARG 23 11.655 3.211 15.949 177 HD2 ARG 23 1HD ARG 23 9.644 1.060 15.404 178 HD3 ARG 23 2HD ARG 23 11.233 0.765 16.149 179 HE ARG 23 HE ARG 23 9.899 2.694 17.813 180 HH11 ARG 23 1HH1 ARG 23 9.346 -0.594 16.792 181 HH12 ARG 23 2HH1 ARG 23 8.529 -0.932 18.305 182 HH21 ARG 23 1HH2 ARG 23 8.958 2.325 19.547 183 HH22 ARG 23 2HH2 ARG 23 8.305 0.732 19.876 184 H THR 24 H THR 24 10.308 4.903 11.456 185 HA THR 24 HA THR 24 8.236 7.029 11.445 186 HB THR 24 HB THR 24 10.252 7.108 9.898 187 HG1 THR 24 HG1 THR 24 7.655 6.992 8.702 188 HG21 THR 24 1HG2 THR 24 10.161 5.688 7.880 189 HG22 THR 24 2HG2 THR 24 10.335 4.700 9.351 190 HG23 THR 24 3HG2 THR 24 8.752 4.830 8.546 191 HA PRO 25 HA PRO 25 4.908 4.329 11.006 192 HB2 PRO 25 1HB PRO 25 3.900 6.556 9.793 193 HB3 PRO 25 2HB PRO 25 3.316 5.666 11.027 194 HG2 PRO 25 1HG PRO 25 5.028 7.624 11.184 195 HG3 PRO 25 2HG PRO 25 3.805 7.317 12.220 196 HD2 PRO 25 1HD PRO 25 6.657 7.710 10.554 197 HD3 PRO 25 2HD PRO 25 6.043 7.254 11.995 198 HA PRO 26 HA PRO 26 5.473 2.896 7.001 199 HB2 PRO 26 1HB PRO 26 3.826 1.009 7.074 200 HB3 PRO 26 2HB PRO 26 5.213 0.995 7.928 201 HG2 PRO 26 1HG PRO 26 2.810 1.395 8.854 202 HG3 PRO 26 2HG PRO 26 3.994 0.529 9.568 203 HD2 PRO 26 1HD PRO 26 3.681 2.826 10.389 204 HD3 PRO 26 2HD PRO 26 5.195 2.242 10.214 205 HA PRO 27 HA PRO 27 2.510 4.552 4.392 206 HB2 PRO 27 1HB PRO 27 2.851 2.346 2.836 207 HB3 PRO 27 2HB PRO 27 3.089 3.923 2.503 208 HG2 PRO 27 1HG PRO 27 4.799 2.275 3.573 209 HG3 PRO 27 2HG PRO 27 5.124 3.427 2.465 210 HD2 PRO 27 1HD PRO 27 4.852 1.610 5.138 211 HD3 PRO 27 2HD PRO 27 5.425 3.040 4.602 212 H SER 28 H SER 28 0.321 4.530 3.824 213 HA SER 28 HA SER 28 -1.342 2.504 5.183 214 HB2 SER 28 1HB SER 28 -3.148 3.689 4.492 215 HB3 SER 28 2HB SER 28 -1.914 4.824 5.084 216 HG SER 28 HG SER 28 -2.489 4.231 2.370 217 H GLN 29 H GLN 29 -3.106 1.444 3.948 218 HA GLN 29 HA GLN 29 -1.998 -0.053 1.682 219 HB2 GLN 29 1HB GLN 29 -4.700 -0.071 3.042 220 HB3 GLN 29 2HB GLN 29 -4.223 -1.167 1.723 221 HG2 GLN 29 1HG GLN 29 -2.316 -2.079 3.443 222 HG3 GLN 29 2HG GLN 29 -3.147 -0.814 4.379 223 HE21 GLN 29 2HE2 GLN 29 -2.857 -3.492 5.232 224 HE22 GLN 29 1HE2 GLN 29 -4.430 -4.217 5.299 225 H GLY 30 H GLY 30 -2.821 -0.218 -0.383 226 HA2 GLY 30 1HA GLY 30 -4.184 0.487 -2.204 227 HA3 GLY 30 2HA GLY 30 -4.728 1.883 -1.246 228 H LYS 31 H LYS 31 -1.515 1.757 -0.694 229 HA LYS 31 HA LYS 31 -0.969 3.770 -2.835 230 HB2 LYS 31 1HB LYS 31 0.520 3.142 -0.281 231 HB3 LYS 31 2HB LYS 31 0.908 4.438 -1.437 232 HG2 LYS 31 1HG LYS 31 -1.642 4.226 0.203 233 HG3 LYS 31 2HG LYS 31 -0.265 5.297 0.562 234 HD2 LYS 31 1HD LYS 31 -0.585 6.415 -1.622 235 HD3 LYS 31 2HD LYS 31 -1.988 5.367 -1.939 236 HE2 LYS 31 1HE LYS 31 -3.059 6.262 0.128 237 HE3 LYS 31 2HE LYS 31 -1.692 7.385 0.307 238 HZ1 LYS 31 3HZ LYS 31 -3.548 7.294 -1.985 239 HZ2 LYS 31 1HZ LYS 31 -3.561 8.425 -0.784 240 HZ3 LYS 31 2HZ LYS 31 -2.280 8.336 -1.820 241 H GLY 32 H GLY 32 -0.543 0.537 -2.291 242 HA2 GLY 32 1HA GLY 32 0.586 -0.780 -3.981 243 HA3 GLY 32 2HA GLY 32 1.793 0.516 -4.147 244 H ARG 33 H ARG 33 1.340 0.446 -0.954 245 HA ARG 33 HA ARG 33 3.804 -0.927 -0.369 246 HB2 ARG 33 1HB ARG 33 3.027 0.880 0.972 247 HB3 ARG 33 2HB ARG 33 1.611 -0.075 1.470 248 HG2 ARG 33 1HG ARG 33 4.269 -1.310 1.950 249 HG3 ARG 33 2HG ARG 33 3.879 0.124 2.929 250 HD2 ARG 33 1HD ARG 33 2.137 -2.305 2.698 251 HD3 ARG 33 2HD ARG 33 3.343 -2.036 3.980 252 HE ARG 33 HE ARG 33 1.589 0.166 4.231 253 HH11 ARG 33 1HH1 ARG 33 1.078 -3.281 4.117 254 HH12 ARG 33 2HH1 ARG 33 -0.321 -3.114 5.157 255 HH21 ARG 33 1HH2 ARG 33 -0.016 0.375 5.417 256 HH22 ARG 33 2HH2 ARG 33 -0.948 -1.029 5.898 257 H GLY 34 H GLY 34 0.393 -1.863 0.037 258 HA2 GLY 34 1HA GLY 34 1.031 -4.450 1.157 259 HA3 GLY 34 2HA GLY 34 -0.542 -3.932 0.507 260 H LEU 35 H LEU 35 0.723 -3.159 -2.084 261 HA LEU 35 HA LEU 35 0.548 -5.784 -3.373 262 HB2 LEU 35 1HB LEU 35 1.180 -3.052 -4.274 263 HB3 LEU 35 2HB LEU 35 1.020 -4.354 -5.476 264 HG LEU 35 HG LEU 35 -1.164 -3.295 -3.639 265 HD11 LEU 35 1HD1 LEU 35 -2.233 -2.556 -5.785 266 HD12 LEU 35 2HD1 LEU 35 -0.641 -1.797 -5.561 267 HD13 LEU 35 3HD1 LEU 35 -0.823 -3.168 -6.680 268 HD21 LEU 35 3HD2 LEU 35 -1.386 -5.687 -3.965 269 HD22 LEU 35 1HD2 LEU 35 -2.667 -4.832 -4.857 270 HD23 LEU 35 2HD2 LEU 35 -1.261 -5.488 -5.730 271 H SER 36 H SER 36 3.090 -3.590 -2.387 272 HA SER 36 HA SER 36 5.280 -4.702 -3.928 273 HB2 SER 36 1HB SER 36 5.418 -2.588 -2.980 274 HB3 SER 36 2HB SER 36 5.269 -3.266 -1.343 275 HG SER 36 HG SER 36 7.445 -2.899 -1.958 Start of MODEL 5 1 H1 SER 1 H SER 1 -5.766 -0.297 2.416 2 HA SER 1 HA SER 1 -5.220 -2.325 0.192 3 HB2 SER 1 1HB SER 1 -7.251 -3.261 -0.322 4 HB3 SER 1 2HB SER 1 -7.015 -3.224 1.440 5 HG SER 1 HG SER 1 -9.105 -2.423 0.207 6 H GLN 2 H GLN 2 -7.117 0.661 0.335 7 HA GLN 2 HA GLN 2 -7.750 0.739 -2.493 8 HB2 GLN 2 1HB GLN 2 -7.691 2.870 -0.346 9 HB3 GLN 2 2HB GLN 2 -8.275 3.132 -2.007 10 HG2 GLN 2 1HG GLN 2 -10.152 1.232 -1.405 11 HG3 GLN 2 2HG GLN 2 -9.213 1.394 0.097 12 HE21 GLN 2 2HE2 GLN 2 -11.984 1.751 0.001 13 HE22 GLN 2 1HE2 GLN 2 -12.347 3.415 0.317 14 H HIS 3 H HIS 3 -6.957 2.038 -4.115 15 HA HIS 3 HA HIS 3 -4.054 2.343 -4.057 16 HB2 HIS 3 1HB HIS 3 -4.342 3.152 -6.385 17 HB3 HIS 3 2HB HIS 3 -5.238 1.636 -6.125 18 HD2 HIS 3 HD2 HIS 3 -5.954 5.358 -7.222 19 HE1 HIS 3 HE1 HIS 3 -9.616 3.234 -6.866 20 HE2 HIS 3 HE2 HIS 3 -8.412 5.428 -7.675 21 H GLY 4 H GLY 4 -2.939 4.297 -4.702 22 HA2 GLY 4 1HA GLY 4 -3.834 6.471 -2.938 23 HA3 GLY 4 2HA GLY 4 -2.263 6.340 -3.761 24 H ARG 5 H ARG 5 -3.250 8.066 -6.689 25 HA ARG 5 HA ARG 5 -1.857 5.670 -5.626 26 HB2 ARG 5 1HB ARG 5 -1.404 7.263 -8.109 27 HB3 ARG 5 2HB ARG 5 -0.459 5.848 -7.588 28 HG2 ARG 5 1HG ARG 5 -2.361 4.402 -7.813 29 HG3 ARG 5 2HG ARG 5 -3.445 5.787 -8.092 30 HD2 ARG 5 1HD ARG 5 -1.186 5.073 -9.921 31 HD3 ARG 5 2HD ARG 5 -2.829 4.411 -10.083 32 HE ARG 5 HE ARG 5 -2.913 7.340 -10.185 33 HH11 ARG 5 1HH1 ARG 5 -2.037 4.572 -12.114 34 HH12 ARG 5 2HH1 ARG 5 -2.398 5.469 -13.576 35 HH21 ARG 5 1HH2 ARG 5 -3.325 8.383 -11.849 36 HH22 ARG 5 2HH2 ARG 5 -3.133 7.643 -13.426 37 H THR 6 H THR 6 0.099 5.598 -4.739 38 HA THR 6 HA THR 6 1.593 8.174 -4.452 39 HB THR 6 HB THR 6 2.101 7.610 -2.102 40 HG1 THR 6 HG1 THR 6 1.725 5.318 -2.314 41 HG21 THR 6 1HG2 THR 6 -0.120 8.098 -1.137 42 HG22 THR 6 2HG2 THR 6 0.183 9.091 -2.583 43 HG23 THR 6 3HG2 THR 6 -0.885 7.672 -2.686 44 H GLN 7 H GLN 7 3.803 7.782 -3.505 45 HA GLN 7 HA GLN 7 5.085 5.794 -5.246 46 HB2 GLN 7 1HB GLN 7 6.116 7.936 -5.070 47 HB3 GLN 7 2HB GLN 7 6.097 7.861 -3.292 48 HG2 GLN 7 1HG GLN 7 8.515 7.216 -3.887 49 HG3 GLN 7 2HG GLN 7 7.389 5.899 -3.484 50 HE21 GLN 7 2HE2 GLN 7 8.623 4.349 -4.573 51 HE22 GLN 7 1HE2 GLN 7 8.706 4.283 -6.302 52 H ASP 8 H ASP 8 5.705 3.840 -4.773 53 HA ASP 8 HA ASP 8 5.498 2.773 -2.067 54 HB2 ASP 8 1HB ASP 8 5.204 1.378 -4.239 55 HB3 ASP 8 2HB ASP 8 6.939 1.735 -4.423 56 H GLU 9 H GLU 9 6.789 3.326 -0.507 57 HA GLU 9 HA GLU 9 9.507 4.280 -1.005 58 HB2 GLU 9 1HB GLU 9 8.009 3.579 1.524 59 HB3 GLU 9 2HB GLU 9 9.649 4.271 1.474 60 HG2 GLU 9 1HG GLU 9 8.625 6.314 0.257 61 HG3 GLU 9 2HG GLU 9 7.082 5.478 0.539 62 H ASN 10 H ASN 10 11.433 3.361 -0.561 63 HA ASN 10 HA ASN 10 11.535 0.442 -0.703 64 HB2 ASN 10 1HB ASN 10 13.409 2.170 -1.708 65 HB3 ASN 10 2HB ASN 10 13.621 2.212 0.059 66 HD21 ASN 10 2HD2 ASN 10 15.377 1.332 -2.176 67 HD22 ASN 10 1HD2 ASN 10 15.862 -0.278 -1.758 68 HA PRO 11 HA PRO 11 11.102 -0.292 3.539 69 HB2 PRO 11 1HB PRO 11 12.169 -2.642 2.630 70 HB3 PRO 11 2HB PRO 11 10.858 -2.364 3.556 71 HG2 PRO 11 1HG PRO 11 10.976 -2.300 0.953 72 HG3 PRO 11 2HG PRO 11 9.760 -2.905 1.855 73 HD2 PRO 11 1HD PRO 11 12.013 -1.238 -0.063 74 HD3 PRO 11 2HD PRO 11 10.464 -1.224 0.448 75 H VAL 12 H VAL 12 13.972 -0.891 1.738 76 HA VAL 12 HA VAL 12 15.778 -1.121 4.000 77 HB VAL 12 HB VAL 12 16.247 -0.260 1.116 78 HG11 VAL 12 1HG1 VAL 12 18.638 -0.656 1.604 79 HG12 VAL 12 2HG1 VAL 12 17.984 0.646 2.625 80 HG13 VAL 12 3HG1 VAL 12 18.238 -0.979 3.307 81 HG21 VAL 12 3HG2 VAL 12 15.470 -2.545 1.317 82 HG22 VAL 12 1HG2 VAL 12 17.185 -2.500 0.849 83 HG23 VAL 12 2HG2 VAL 12 16.732 -2.889 2.525 84 H VAL 13 H VAL 13 14.649 1.642 2.094 85 HA VAL 13 HA VAL 13 16.315 3.569 3.530 86 HB VAL 13 HB VAL 13 13.776 3.903 1.880 87 HG11 VAL 13 1HG1 VAL 13 14.356 6.305 1.861 88 HG12 VAL 13 2HG1 VAL 13 14.046 5.735 3.518 89 HG13 VAL 13 3HG1 VAL 13 15.718 5.986 2.960 90 HG21 VAL 13 3HG2 VAL 13 15.651 3.083 0.583 91 HG22 VAL 13 1HG2 VAL 13 15.283 4.773 0.165 92 HG23 VAL 13 2HG2 VAL 13 16.678 4.397 1.204 93 H HIS 14 H HIS 14 13.024 2.343 3.962 94 HA HIS 14 HA HIS 14 12.325 4.037 6.153 95 HB2 HIS 14 1HB HIS 14 10.631 2.636 5.092 96 HB3 HIS 14 2HB HIS 14 11.522 1.160 5.533 97 HD2 HIS 14 HD2 HIS 14 10.468 -0.020 7.844 98 HE1 HIS 14 HE1 HIS 14 8.788 3.549 9.422 99 HE2 HIS 14 HE2 HIS 14 9.115 0.957 9.708 100 H PHE 15 H PHE 15 13.996 0.889 6.108 101 HA PHE 15 HA PHE 15 14.484 0.737 8.920 102 HB2 PHE 15 1HB PHE 15 14.887 -1.171 7.412 103 HB3 PHE 15 2HB PHE 15 16.182 -0.268 6.595 104 HD1 PHE 15 HD1 PHE 15 15.169 -1.692 9.871 105 HD2 PHE 15 HD2 PHE 15 18.356 -0.353 7.361 106 HE1 PHE 15 HE1 PHE 15 16.813 -2.605 11.475 107 HE2 PHE 15 HE2 PHE 15 20.003 -1.266 8.962 108 HZ PHE 15 HZ PHE 15 19.230 -2.391 11.021 109 H PHE 16 H PHE 16 16.448 2.187 6.316 110 HA PHE 16 HA PHE 16 18.524 3.230 7.944 111 HB2 PHE 16 1HB PHE 16 18.617 3.304 5.484 112 HB3 PHE 16 2HB PHE 16 17.247 4.437 5.451 113 HD1 PHE 16 HD1 PHE 16 20.770 4.027 6.502 114 HD2 PHE 16 HD2 PHE 16 17.558 6.730 5.711 115 HE1 PHE 16 HE1 PHE 16 22.344 5.930 6.620 116 HE2 PHE 16 HE2 PHE 16 19.130 8.635 5.825 117 HZ PHE 16 HZ PHE 16 21.524 8.234 6.282 118 H LYS 17 H LYS 17 15.353 4.643 7.148 119 HA LYS 17 HA LYS 17 15.789 7.068 8.651 120 HB2 LYS 17 1HB LYS 17 13.312 5.612 7.735 121 HB3 LYS 17 2HB LYS 17 13.265 7.152 8.625 122 HG2 LYS 17 1HG LYS 17 14.559 8.228 6.823 123 HG3 LYS 17 2HG LYS 17 14.589 6.688 5.931 124 HD2 LYS 17 1HD LYS 17 12.138 6.711 5.785 125 HD3 LYS 17 2HD LYS 17 12.091 8.233 6.704 126 HE2 LYS 17 1HE LYS 17 13.353 9.359 4.933 127 HE3 LYS 17 2HE LYS 17 13.444 7.837 4.018 128 HZ1 LYS 17 3HZ LYS 17 10.965 9.287 4.695 129 HZ2 LYS 17 1HZ LYS 17 11.684 9.259 3.210 130 HZ3 LYS 17 2HZ LYS 17 11.047 7.875 3.845 131 H ASN 18 H ASN 18 14.557 3.877 9.506 132 HA ASN 18 HA ASN 18 13.549 4.542 12.099 133 HB2 ASN 18 1HB ASN 18 14.662 1.789 11.167 134 HB3 ASN 18 2HB ASN 18 14.023 2.439 12.696 135 HD21 ASN 18 2HD2 ASN 18 13.034 0.337 10.872 136 HD22 ASN 18 1HD2 ASN 18 11.409 0.793 10.480 137 H ILE 19 H ILE 19 16.819 3.861 10.960 138 HA ILE 19 HA ILE 19 17.945 4.009 13.683 139 HB ILE 19 HB ILE 19 19.223 4.007 10.910 140 HG12 ILE 19 1HG1 ILE 19 19.234 1.887 13.039 141 HG13 ILE 19 2HG1 ILE 19 18.089 1.943 11.679 142 HG21 ILE 19 1HG2 ILE 19 21.362 3.699 12.107 143 HG22 ILE 19 2HG2 ILE 19 20.611 5.254 12.532 144 HG23 ILE 19 3HG2 ILE 19 20.520 3.884 13.663 145 HD11 ILE 19 3HD1 ILE 19 21.111 1.728 11.451 146 HD12 ILE 19 1HD1 ILE 19 19.952 0.401 11.210 147 HD13 ILE 19 2HD1 ILE 19 19.967 1.785 10.091 148 H VAL 20 H VAL 20 17.624 6.182 10.909 149 HA VAL 20 HA VAL 20 19.241 8.237 12.365 150 HB VAL 20 HB VAL 20 18.113 8.193 9.533 151 HG11 VAL 20 1HG1 VAL 20 19.562 10.166 9.189 152 HG12 VAL 20 2HG1 VAL 20 18.346 10.476 10.451 153 HG13 VAL 20 3HG1 VAL 20 20.029 10.121 10.905 154 HG21 VAL 20 3HG2 VAL 20 19.852 6.532 9.827 155 HG22 VAL 20 1HG2 VAL 20 20.432 7.887 8.828 156 HG23 VAL 20 2HG2 VAL 20 20.931 7.760 10.532 157 H THR 21 H THR 21 16.144 8.178 10.576 158 HA THR 21 HA THR 21 15.464 10.780 11.752 159 HB THR 21 HB THR 21 13.835 8.899 9.992 160 HG1 THR 21 HG1 THR 21 14.444 10.454 8.370 161 HG21 THR 21 1HG2 THR 21 12.426 10.887 9.586 162 HG22 THR 21 2HG2 THR 21 12.429 10.445 11.311 163 HG23 THR 21 3HG2 THR 21 13.406 11.819 10.742 164 HA PRO 22 HA PRO 22 13.471 9.090 15.203 165 HB2 PRO 22 1HB PRO 22 12.737 11.308 16.126 166 HB3 PRO 22 2HB PRO 22 14.285 10.802 16.167 167 HG2 PRO 22 1HG PRO 22 13.270 12.603 14.581 168 HG3 PRO 22 2HG PRO 22 14.731 12.658 15.304 169 HD2 PRO 22 1HD PRO 22 14.660 11.951 12.944 170 HD3 PRO 22 2HD PRO 22 15.674 11.209 13.985 171 H ARG 23 H ARG 23 11.452 8.405 15.739 172 HA ARG 23 HA ARG 23 9.170 8.084 15.421 173 HB2 ARG 23 1HB ARG 23 9.221 11.043 15.034 174 HB3 ARG 23 2HB ARG 23 7.773 10.033 15.255 175 HG2 ARG 23 1HG ARG 23 8.691 9.329 17.478 176 HG3 ARG 23 2HG ARG 23 10.003 10.513 17.254 177 HD2 ARG 23 1HD ARG 23 8.235 12.258 17.053 178 HD3 ARG 23 2HD ARG 23 7.068 11.021 17.574 179 HE ARG 23 HE ARG 23 9.141 11.269 19.607 180 HH11 ARG 23 1HH1 ARG 23 6.456 13.074 18.308 181 HH12 ARG 23 2HH1 ARG 23 6.217 13.848 19.862 182 HH21 ARG 23 1HH2 ARG 23 8.886 12.153 21.389 183 HH22 ARG 23 2HH2 ARG 23 7.603 13.324 21.620 184 H THR 24 H THR 24 10.486 7.216 13.308 185 HA THR 24 HA THR 24 9.413 8.434 10.850 186 HB THR 24 HB THR 24 10.934 5.832 11.302 187 HG1 THR 24 HG1 THR 24 12.196 7.686 11.716 188 HG21 THR 24 1HG2 THR 24 11.285 5.885 8.858 189 HG22 THR 24 2HG2 THR 24 9.552 5.785 9.254 190 HG23 THR 24 3HG2 THR 24 10.260 7.335 8.742 191 HA PRO 25 HA PRO 25 5.739 6.158 11.086 192 HB2 PRO 25 1HB PRO 25 4.699 7.196 9.059 193 HB3 PRO 25 2HB PRO 25 4.904 8.017 10.452 194 HG2 PRO 25 1HG PRO 25 6.290 8.281 8.262 195 HG3 PRO 25 2HG PRO 25 5.802 9.481 9.252 196 HD2 PRO 25 1HD PRO 25 8.124 8.743 9.561 197 HD3 PRO 25 2HD PRO 25 7.228 9.085 10.881 198 HA PRO 26 HA PRO 26 5.968 2.804 8.400 199 HB2 PRO 26 1HB PRO 26 3.336 3.276 7.852 200 HB3 PRO 26 2HB PRO 26 4.080 1.932 8.394 201 HG2 PRO 26 1HG PRO 26 3.208 3.925 9.829 202 HG3 PRO 26 2HG PRO 26 3.114 2.342 10.208 203 HD2 PRO 26 1HD PRO 26 3.764 5.581 9.860 204 HD3 PRO 26 2HD PRO 26 4.160 4.260 10.732 205 HA PRO 27 HA PRO 27 6.730 4.501 4.560 206 HB2 PRO 27 1HB PRO 27 7.139 2.374 3.271 207 HB3 PRO 27 2HB PRO 27 8.166 2.949 4.399 208 HG2 PRO 27 1HG PRO 27 6.529 0.937 4.653 209 HG3 PRO 27 2HG PRO 27 8.053 1.027 5.227 210 HD2 PRO 27 1HD PRO 27 6.166 1.423 6.775 211 HD3 PRO 27 2HD PRO 27 7.533 2.309 6.879 212 H SER 28 H SER 28 5.647 5.251 2.819 213 HA SER 28 HA SER 28 2.886 4.385 2.375 214 HB2 SER 28 1HB SER 28 2.813 5.928 0.677 215 HB3 SER 28 2HB SER 28 3.585 6.628 2.118 216 HG SER 28 HG SER 28 4.734 5.896 -0.343 217 H GLN 29 H GLN 29 2.064 3.537 0.380 218 HA GLN 29 HA GLN 29 3.953 1.497 -0.748 219 HB2 GLN 29 1HB GLN 29 0.971 1.272 -0.301 220 HB3 GLN 29 2HB GLN 29 2.059 0.006 -0.916 221 HG2 GLN 29 1HG GLN 29 2.058 0.999 2.067 222 HG3 GLN 29 2HG GLN 29 1.451 -0.407 1.162 223 HE21 GLN 29 2HE2 GLN 29 4.091 0.994 2.811 224 HE22 GLN 29 1HE2 GLN 29 5.286 -0.196 2.417 225 H GLY 30 H GLY 30 3.014 0.473 -2.794 226 HA2 GLY 30 1HA GLY 30 2.747 2.692 -4.700 227 HA3 GLY 30 2HA GLY 30 2.977 0.970 -5.086 228 H LYS 31 H LYS 31 1.324 1.460 -6.742 229 HA LYS 31 HA LYS 31 -1.343 2.251 -6.081 230 HB2 LYS 31 1HB LYS 31 -0.391 2.269 -8.346 231 HB3 LYS 31 2HB LYS 31 -0.362 0.490 -8.333 232 HG2 LYS 31 1HG LYS 31 -2.805 0.432 -8.170 233 HG3 LYS 31 2HG LYS 31 -2.857 2.210 -8.131 234 HD2 LYS 31 1HD LYS 31 -1.878 2.308 -10.375 235 HD3 LYS 31 2HD LYS 31 -1.767 0.531 -10.415 236 HE2 LYS 31 1HE LYS 31 -4.211 0.372 -10.226 237 HE3 LYS 31 2HE LYS 31 -4.325 2.146 -10.184 238 HZ1 LYS 31 3HZ LYS 31 -3.279 0.547 -12.432 239 HZ2 LYS 31 1HZ LYS 31 -4.758 1.279 -12.381 240 HZ3 LYS 31 2HZ LYS 31 -3.385 2.193 -12.394 241 H GLY 32 H GLY 32 -2.878 1.323 -5.000 242 HA2 GLY 32 1HA GLY 32 -2.805 -1.641 -4.678 243 HA3 GLY 32 2HA GLY 32 -3.700 -0.500 -3.647 244 H ARG 33 H ARG 33 -5.746 -1.255 -3.854 245 HA ARG 33 HA ARG 33 -7.030 -0.775 -6.487 246 HB2 ARG 33 1HB ARG 33 -6.430 -3.116 -6.517 247 HB3 ARG 33 2HB ARG 33 -7.384 -3.359 -5.035 248 HG2 ARG 33 1HG ARG 33 -9.421 -2.723 -6.200 249 HG3 ARG 33 2HG ARG 33 -8.493 -2.357 -7.675 250 HD2 ARG 33 1HD ARG 33 -7.872 -4.695 -7.849 251 HD3 ARG 33 2HD ARG 33 -8.834 -5.050 -6.394 252 HE ARG 33 HE ARG 33 -10.627 -3.940 -8.377 253 HH11 ARG 33 1HH1 ARG 33 -8.673 -6.795 -7.943 254 HH12 ARG 33 2HH1 ARG 33 -9.808 -7.726 -8.902 255 HH21 ARG 33 1HH2 ARG 33 -11.932 -4.990 -9.483 256 HH22 ARG 33 2HH2 ARG 33 -11.667 -6.696 -9.782 257 H GLY 34 H GLY 34 -8.553 0.618 -6.149 258 HA2 GLY 34 1HA GLY 34 -9.566 1.234 -3.544 259 HA3 GLY 34 2HA GLY 34 -10.225 1.815 -5.091 260 H LEU 35 H LEU 35 -10.457 -1.132 -5.907 261 HA LEU 35 HA LEU 35 -13.208 -1.441 -4.877 262 HB2 LEU 35 1HB LEU 35 -11.533 -2.955 -6.773 263 HB3 LEU 35 2HB LEU 35 -13.253 -3.360 -6.572 264 HG LEU 35 HG LEU 35 -12.107 -0.770 -7.686 265 HD11 LEU 35 1HD1 LEU 35 -13.246 -1.499 -9.800 266 HD12 LEU 35 2HD1 LEU 35 -12.031 -2.690 -9.276 267 HD13 LEU 35 3HD1 LEU 35 -13.761 -2.995 -8.988 268 HD21 LEU 35 3HD2 LEU 35 -14.098 -0.335 -6.372 269 HD22 LEU 35 1HD2 LEU 35 -14.455 -0.127 -8.103 270 HD23 LEU 35 2HD2 LEU 35 -14.991 -1.598 -7.252 271 H SER 36 H SER 36 -10.095 -2.572 -4.096 272 HA SER 36 HA SER 36 -10.757 -5.240 -3.101 273 HB2 SER 36 1HB SER 36 -8.595 -4.726 -3.770 274 HB3 SER 36 2HB SER 36 -8.469 -3.455 -2.532 275 HG SER 36 HG SER 36 -7.559 -5.446 -1.858 Start of MODEL 6 1 H1 SER 1 H SER 1 9.374 15.079 13.031 2 HA SER 1 HA SER 1 8.591 14.230 10.199 3 HB2 SER 1 1HB SER 1 10.881 14.430 10.036 4 HB3 SER 1 2HB SER 1 11.138 13.033 11.107 5 HG SER 1 HG SER 1 9.959 11.796 9.525 6 H GLN 2 H GLN 2 6.777 13.006 10.327 7 HA GLN 2 HA GLN 2 6.613 10.653 12.065 8 HB2 GLN 2 1HB GLN 2 4.820 11.712 9.869 9 HB3 GLN 2 2HB GLN 2 4.446 10.311 10.900 10 HG2 GLN 2 1HG GLN 2 4.509 12.091 12.972 11 HG3 GLN 2 2HG GLN 2 4.854 13.095 11.543 12 HE21 GLN 2 2HE2 GLN 2 2.731 13.560 13.357 13 HE22 GLN 2 1HE2 GLN 2 1.237 13.331 12.510 14 H HIS 3 H HIS 3 5.945 8.537 11.238 15 HA HIS 3 HA HIS 3 8.018 7.552 9.490 16 HB2 HIS 3 1HB HIS 3 5.506 6.247 10.621 17 HB3 HIS 3 2HB HIS 3 6.732 5.379 9.668 18 HD2 HIS 3 HD2 HIS 3 9.048 7.405 11.745 19 HE1 HIS 3 HE1 HIS 3 7.783 4.239 14.279 20 HE2 HIS 3 HE2 HIS 3 9.521 6.167 13.865 21 H GLY 4 H GLY 4 7.962 6.676 7.468 22 HA2 GLY 4 1HA GLY 4 5.937 7.907 5.708 23 HA3 GLY 4 2HA GLY 4 7.436 7.094 5.204 24 H ARG 5 H ARG 5 5.368 6.452 3.724 25 HA ARG 5 HA ARG 5 3.964 4.100 4.872 26 HB2 ARG 5 1HB ARG 5 2.676 5.713 3.654 27 HB3 ARG 5 2HB ARG 5 3.662 5.408 2.206 28 HG2 ARG 5 1HG ARG 5 2.900 3.056 2.204 29 HG3 ARG 5 2HG ARG 5 1.874 3.405 3.617 30 HD2 ARG 5 1HD ARG 5 0.602 4.983 2.299 31 HD3 ARG 5 2HD ARG 5 1.627 4.633 0.889 32 HE ARG 5 HE ARG 5 0.242 2.202 1.806 33 HH11 ARG 5 1HH1 ARG 5 -0.243 5.142 -0.005 34 HH12 ARG 5 2HH1 ARG 5 -1.501 4.362 -0.945 35 HH21 ARG 5 1HH2 ARG 5 -1.202 1.298 0.744 36 HH22 ARG 5 2HH2 ARG 5 -2.049 2.171 -0.519 37 H THR 6 H THR 6 4.278 2.046 4.371 38 HA THR 6 HA THR 6 6.891 1.326 3.383 39 HB THR 6 HB THR 6 4.450 -0.455 3.773 40 HG1 THR 6 HG1 THR 6 5.071 0.691 5.687 41 HG21 THR 6 1HG2 THR 6 6.134 -2.242 4.041 42 HG22 THR 6 2HG2 THR 6 6.258 -1.480 2.436 43 HG23 THR 6 3HG2 THR 6 7.430 -1.069 3.711 44 H GLN 7 H GLN 7 3.692 1.424 1.904 45 HA GLN 7 HA GLN 7 4.470 0.076 -0.531 46 HB2 GLN 7 1HB GLN 7 2.136 0.401 0.245 47 HB3 GLN 7 2HB GLN 7 2.312 2.145 -0.063 48 HG2 GLN 7 1HG GLN 7 1.195 1.198 -2.203 49 HG3 GLN 7 2HG GLN 7 2.919 1.637 -2.243 50 HE21 GLN 7 2HE2 GLN 7 3.236 0.305 -4.073 51 HE22 GLN 7 1HE2 GLN 7 3.309 -1.420 -3.932 52 H ASP 8 H ASP 8 4.682 3.404 0.583 53 HA ASP 8 HA ASP 8 5.164 4.454 -2.111 54 HB2 ASP 8 1HB ASP 8 5.359 5.772 0.664 55 HB3 ASP 8 2HB ASP 8 5.760 6.451 -0.933 56 H GLU 9 H GLU 9 7.131 3.638 0.721 57 HA GLU 9 HA GLU 9 9.565 4.122 -0.967 58 HB2 GLU 9 1HB GLU 9 9.153 4.743 1.963 59 HB3 GLU 9 2HB GLU 9 10.709 4.820 1.101 60 HG2 GLU 9 1HG GLU 9 9.710 6.655 -0.385 61 HG3 GLU 9 2HG GLU 9 8.250 6.444 0.607 62 H ASN 10 H ASN 10 11.403 2.886 -0.497 63 HA ASN 10 HA ASN 10 10.697 0.109 -0.114 64 HB2 ASN 10 1HB ASN 10 13.566 1.289 -0.365 65 HB3 ASN 10 2HB ASN 10 12.858 -0.331 -0.149 66 HD21 ASN 10 2HD2 ASN 10 14.424 0.981 -2.343 67 HD22 ASN 10 1HD2 ASN 10 13.491 0.701 -3.775 68 HA PRO 11 HA PRO 11 11.160 -0.448 4.115 69 HB2 PRO 11 1HB PRO 11 11.947 -2.856 4.037 70 HB3 PRO 11 2HB PRO 11 10.412 -2.391 3.755 71 HG2 PRO 11 1HG PRO 11 12.176 -3.117 1.980 72 HG3 PRO 11 2HG PRO 11 10.589 -3.491 1.981 73 HD2 PRO 11 1HD PRO 11 11.523 -1.709 0.513 74 HD3 PRO 11 2HD PRO 11 10.062 -1.582 1.228 75 H VAL 12 H VAL 12 13.721 -1.154 1.961 76 HA VAL 12 HA VAL 12 15.858 -1.170 3.943 77 HB VAL 12 HB VAL 12 15.851 -0.504 0.970 78 HG11 VAL 12 1HG1 VAL 12 18.305 -0.768 1.119 79 HG12 VAL 12 2HG1 VAL 12 17.741 0.577 2.140 80 HG13 VAL 12 3HG1 VAL 12 18.175 -0.983 2.881 81 HG21 VAL 12 3HG2 VAL 12 15.227 -2.798 1.433 82 HG22 VAL 12 1HG2 VAL 12 16.851 -2.718 0.711 83 HG23 VAL 12 2HG2 VAL 12 16.669 -3.004 2.457 84 H VAL 13 H VAL 13 14.374 1.396 1.987 85 HA VAL 13 HA VAL 13 15.998 3.532 3.084 86 HB VAL 13 HB VAL 13 13.178 3.522 1.931 87 HG11 VAL 13 1HG1 VAL 13 13.461 5.972 1.756 88 HG12 VAL 13 2HG1 VAL 13 13.522 5.440 3.453 89 HG13 VAL 13 3HG1 VAL 13 15.026 5.853 2.594 90 HG21 VAL 13 3HG2 VAL 13 14.874 2.864 0.331 91 HG22 VAL 13 1HG2 VAL 13 14.242 4.482 -0.048 92 HG23 VAL 13 2HG2 VAL 13 15.835 4.309 0.725 93 H HIS 14 H HIS 14 12.946 2.071 4.137 94 HA HIS 14 HA HIS 14 12.560 3.896 6.336 95 HB2 HIS 14 1HB HIS 14 11.544 1.071 5.807 96 HB3 HIS 14 2HB HIS 14 11.057 2.047 7.214 97 HD2 HIS 14 HD2 HIS 14 9.469 1.218 3.939 98 HE1 HIS 14 HE1 HIS 14 8.530 5.300 4.647 99 HE2 HIS 14 HE2 HIS 14 8.000 3.127 3.266 100 H PHE 15 H PHE 15 14.293 0.830 6.012 101 HA PHE 15 HA PHE 15 14.936 0.426 8.751 102 HB2 PHE 15 1HB PHE 15 15.436 -1.268 7.050 103 HB3 PHE 15 2HB PHE 15 16.584 -0.168 6.255 104 HD1 PHE 15 HD1 PHE 15 15.934 -1.951 9.453 105 HD2 PHE 15 HD2 PHE 15 18.806 -0.164 6.842 106 HE1 PHE 15 HE1 PHE 15 17.763 -2.851 10.851 107 HE2 PHE 15 HE2 PHE 15 20.638 -1.065 8.237 108 HZ PHE 15 HZ PHE 15 20.115 -2.407 10.243 109 H PHE 16 H PHE 16 16.785 2.225 6.273 110 HA PHE 16 HA PHE 16 18.771 3.249 8.037 111 HB2 PHE 16 1HB PHE 16 18.994 3.443 5.603 112 HB3 PHE 16 2HB PHE 16 17.558 4.487 5.528 113 HD1 PHE 16 HD1 PHE 16 21.036 4.269 6.771 114 HD2 PHE 16 HD2 PHE 16 17.702 6.784 5.869 115 HE1 PHE 16 HE1 PHE 16 22.472 6.264 7.036 116 HE2 PHE 16 HE2 PHE 16 19.135 8.781 6.131 117 HZ PHE 16 HZ PHE 16 21.521 8.521 6.716 118 H LYS 17 H LYS 17 15.603 4.610 7.127 119 HA LYS 17 HA LYS 17 15.971 7.044 8.625 120 HB2 LYS 17 1HB LYS 17 13.540 5.593 7.589 121 HB3 LYS 17 2HB LYS 17 13.450 7.141 8.463 122 HG2 LYS 17 1HG LYS 17 14.884 8.177 6.723 123 HG3 LYS 17 2HG LYS 17 14.887 6.635 5.836 124 HD2 LYS 17 1HD LYS 17 12.489 6.749 5.518 125 HD3 LYS 17 2HD LYS 17 12.385 8.199 6.544 126 HE2 LYS 17 1HE LYS 17 13.787 9.429 4.932 127 HE3 LYS 17 2HE LYS 17 13.854 7.984 3.899 128 HZ1 LYS 17 3HZ LYS 17 11.407 9.468 4.611 129 HZ2 LYS 17 1HZ LYS 17 12.176 9.531 3.154 130 HZ3 LYS 17 2HZ LYS 17 11.468 8.127 3.653 131 H ASN 18 H ASN 18 14.846 3.845 9.491 132 HA ASN 18 HA ASN 18 13.697 4.691 12.042 133 HB2 ASN 18 1HB ASN 18 14.340 1.802 11.080 134 HB3 ASN 18 2HB ASN 18 13.792 2.530 12.609 135 HD21 ASN 18 2HD2 ASN 18 12.510 0.663 10.685 136 HD22 ASN 18 1HD2 ASN 18 10.990 1.394 10.292 137 H ILE 19 H ILE 19 16.862 4.247 10.901 138 HA ILE 19 HA ILE 19 17.951 3.787 13.637 139 HB ILE 19 HB ILE 19 19.288 4.132 10.915 140 HG12 ILE 19 1HG1 ILE 19 19.198 1.716 12.696 141 HG13 ILE 19 2HG1 ILE 19 18.037 2.026 11.385 142 HG21 ILE 19 1HG2 ILE 19 21.384 3.553 12.092 143 HG22 ILE 19 2HG2 ILE 19 20.686 5.060 12.731 144 HG23 ILE 19 3HG2 ILE 19 20.511 3.543 13.643 145 HD11 ILE 19 3HD1 ILE 19 21.045 1.728 11.064 146 HD12 ILE 19 1HD1 ILE 19 19.827 0.502 10.647 147 HD13 ILE 19 2HD1 ILE 19 19.883 2.039 9.752 148 H VAL 20 H VAL 20 17.820 6.324 11.171 149 HA VAL 20 HA VAL 20 19.371 8.142 12.960 150 HB VAL 20 HB VAL 20 19.312 9.696 11.079 151 HG11 VAL 20 1HG1 VAL 20 20.526 8.361 9.390 152 HG12 VAL 20 2HG1 VAL 20 21.042 7.932 11.038 153 HG13 VAL 20 3HG1 VAL 20 19.932 6.864 10.147 154 HG21 VAL 20 3HG2 VAL 20 17.057 9.269 10.304 155 HG22 VAL 20 1HG2 VAL 20 18.222 9.134 8.966 156 HG23 VAL 20 2HG2 VAL 20 17.546 7.665 9.708 157 H THR 21 H THR 21 16.126 7.343 12.326 158 HA THR 21 HA THR 21 15.325 9.788 13.867 159 HB THR 21 HB THR 21 13.702 8.375 11.708 160 HG1 THR 21 HG1 THR 21 14.008 10.405 10.613 161 HG21 THR 21 1HG2 THR 21 12.104 10.226 12.059 162 HG22 THR 21 2HG2 THR 21 12.328 9.282 13.551 163 HG23 THR 21 3HG2 THR 21 13.127 10.861 13.368 164 HA PRO 22 HA PRO 22 13.915 6.888 16.711 165 HB2 PRO 22 1HB PRO 22 12.735 8.556 18.188 166 HB3 PRO 22 2HB PRO 22 14.358 8.426 18.103 167 HG2 PRO 22 1HG PRO 22 12.878 10.289 17.038 168 HG3 PRO 22 2HG PRO 22 14.328 10.492 17.757 169 HD2 PRO 22 1HD PRO 22 14.210 10.434 15.288 170 HD3 PRO 22 2HD PRO 22 15.448 9.730 16.083 171 H ARG 23 H ARG 23 11.823 6.311 17.915 172 HA ARG 23 HA ARG 23 9.867 5.744 15.909 173 HB2 ARG 23 1HB ARG 23 9.711 5.641 18.884 174 HB3 ARG 23 2HB ARG 23 8.398 5.148 17.789 175 HG2 ARG 23 1HG ARG 23 9.850 3.445 16.795 176 HG3 ARG 23 2HG ARG 23 11.186 3.951 17.857 177 HD2 ARG 23 1HD ARG 23 8.566 2.921 18.878 178 HD3 ARG 23 2HD ARG 23 9.957 1.877 18.501 179 HE ARG 23 HE ARG 23 10.877 3.792 20.439 180 HH11 ARG 23 1HH1 ARG 23 8.472 1.271 20.301 181 HH12 ARG 23 2HH1 ARG 23 8.668 0.981 22.018 182 HH21 ARG 23 1HH2 ARG 23 11.107 3.477 22.408 183 HH22 ARG 23 2HH2 ARG 23 10.170 2.239 23.221 184 H THR 24 H THR 24 8.520 6.994 14.914 185 HA THR 24 HA THR 24 7.193 9.171 16.492 186 HB THR 24 HB THR 24 7.127 10.553 14.450 187 HG1 THR 24 HG1 THR 24 8.442 9.860 12.655 188 HG21 THR 24 1HG2 THR 24 9.518 11.160 14.351 189 HG22 THR 24 2HG2 THR 24 9.003 10.861 16.028 190 HG23 THR 24 3HG2 THR 24 9.941 9.629 15.152 191 HA PRO 25 HA PRO 25 3.328 7.892 15.351 192 HB2 PRO 25 1HB PRO 25 3.034 10.287 14.059 193 HB3 PRO 25 2HB PRO 25 2.101 9.573 15.188 194 HG2 PRO 25 1HG PRO 25 3.241 11.736 15.890 195 HG3 PRO 25 2HG PRO 25 3.313 10.245 16.912 196 HD2 PRO 25 1HD PRO 25 5.265 11.008 14.494 197 HD3 PRO 25 2HD PRO 25 5.795 10.700 16.199 198 HA PRO 26 HA PRO 26 3.615 6.185 11.438 199 HB2 PRO 26 1HB PRO 26 1.345 5.110 11.321 200 HB3 PRO 26 2HB PRO 26 2.526 4.583 12.314 201 HG2 PRO 26 1HG PRO 26 0.404 5.939 12.987 202 HG3 PRO 26 2HG PRO 26 1.072 4.705 13.819 203 HD2 PRO 26 1HD PRO 26 1.571 6.997 14.579 204 HD3 PRO 26 2HD PRO 26 2.740 5.859 14.594 205 HA PRO 27 HA PRO 27 1.673 8.693 8.547 206 HB2 PRO 27 1HB PRO 27 1.438 7.159 6.580 207 HB3 PRO 27 2HB PRO 27 2.885 7.671 7.125 208 HG2 PRO 27 1HG PRO 27 1.846 5.301 7.434 209 HG3 PRO 27 2HG PRO 27 3.409 5.643 7.116 210 HD2 PRO 27 1HD PRO 27 2.857 5.164 9.465 211 HD3 PRO 27 2HD PRO 27 3.917 6.357 9.122 212 H SER 28 H SER 28 -0.247 9.082 7.169 213 HA SER 28 HA SER 28 -2.733 8.289 8.358 214 HB2 SER 28 1HB SER 28 -2.562 10.206 7.079 215 HB3 SER 28 2HB SER 28 -2.143 9.264 5.630 216 HG SER 28 HG SER 28 -4.368 9.800 5.729 217 H GLN 29 H GLN 29 -4.255 6.760 7.781 218 HA GLN 29 HA GLN 29 -3.404 4.159 7.274 219 HB2 GLN 29 1HB GLN 29 -5.650 4.886 8.088 220 HB3 GLN 29 2HB GLN 29 -6.052 5.338 6.415 221 HG2 GLN 29 1HG GLN 29 -5.713 2.702 5.828 222 HG3 GLN 29 2HG GLN 29 -5.349 2.785 7.567 223 HE21 GLN 29 2HE2 GLN 29 -6.951 2.190 8.861 224 HE22 GLN 29 1HE2 GLN 29 -8.642 2.283 8.499 225 H GLY 30 H GLY 30 -2.479 3.177 5.678 226 HA2 GLY 30 1HA GLY 30 -2.485 4.401 3.005 227 HA3 GLY 30 2HA GLY 30 -1.547 2.983 3.532 228 H LYS 31 H LYS 31 -4.030 0.590 2.687 229 HA LYS 31 HA LYS 31 -1.997 1.538 4.660 230 HB2 LYS 31 1HB LYS 31 -3.287 -1.162 4.238 231 HB3 LYS 31 2HB LYS 31 -2.070 -0.780 5.478 232 HG2 LYS 31 1HG LYS 31 -3.622 0.827 6.510 233 HG3 LYS 31 2HG LYS 31 -4.839 0.451 5.268 234 HD2 LYS 31 1HD LYS 31 -4.921 -1.877 6.028 235 HD3 LYS 31 2HD LYS 31 -3.668 -1.535 7.244 236 HE2 LYS 31 1HE LYS 31 -5.168 0.109 8.310 237 HE3 LYS 31 2HE LYS 31 -6.425 -0.276 7.111 238 HZ1 LYS 31 3HZ LYS 31 -5.278 -2.170 9.061 239 HZ2 LYS 31 1HZ LYS 31 -6.765 -1.466 9.170 240 HZ3 LYS 31 2HZ LYS 31 -6.443 -2.527 7.950 241 H GLY 32 H GLY 32 0.026 0.471 4.849 242 HA2 GLY 32 1HA GLY 32 1.126 -0.196 2.172 243 HA3 GLY 32 2HA GLY 32 2.060 0.264 3.615 244 H ARG 33 H ARG 33 3.358 -1.637 2.926 245 HA ARG 33 HA ARG 33 2.183 -4.295 3.373 246 HB2 ARG 33 1HB ARG 33 4.992 -3.430 2.853 247 HB3 ARG 33 2HB ARG 33 4.455 -5.110 3.086 248 HG2 ARG 33 1HG ARG 33 3.222 -5.117 1.078 249 HG3 ARG 33 2HG ARG 33 3.258 -3.342 0.952 250 HD2 ARG 33 1HD ARG 33 5.666 -5.113 0.700 251 HD3 ARG 33 2HD ARG 33 4.679 -4.541 -0.665 252 HE ARG 33 HE ARG 33 5.652 -2.200 0.714 253 HH11 ARG 33 1HH1 ARG 33 6.990 -4.884 -1.066 254 HH12 ARG 33 2HH1 ARG 33 8.323 -3.875 -1.595 255 HH21 ARG 33 1HH2 ARG 33 7.177 -1.036 0.124 256 HH22 ARG 33 2HH2 ARG 33 8.431 -1.682 -0.917 257 H GLY 34 H GLY 34 3.751 -1.866 5.272 258 HA2 GLY 34 1HA GLY 34 3.590 -1.793 7.622 259 HA3 GLY 34 2HA GLY 34 3.174 -3.523 7.640 260 H LEU 35 H LEU 35 5.948 -1.880 6.116 261 HA LEU 35 HA LEU 35 7.753 -3.438 7.936 262 HB2 LEU 35 1HB LEU 35 8.152 -2.382 5.213 263 HB3 LEU 35 2HB LEU 35 9.428 -3.303 6.040 264 HG LEU 35 HG LEU 35 6.722 -4.364 5.141 265 HD11 LEU 35 1HD1 LEU 35 8.091 -5.768 3.575 266 HD12 LEU 35 2HD1 LEU 35 8.342 -4.033 3.275 267 HD13 LEU 35 3HD1 LEU 35 9.563 -4.967 4.170 268 HD21 LEU 35 3HD2 LEU 35 7.426 -5.401 7.216 269 HD22 LEU 35 1HD2 LEU 35 7.560 -6.567 5.879 270 HD23 LEU 35 2HD2 LEU 35 9.020 -5.777 6.521 271 H SER 36 H SER 36 6.744 -0.337 6.907 272 HA SER 36 HA SER 36 9.061 1.287 7.387 273 HB2 SER 36 1HB SER 36 7.174 2.105 6.302 274 HB3 SER 36 2HB SER 36 6.195 1.911 7.774 275 HG SER 36 HG SER 36 7.044 4.043 7.471 Start of MODEL 7 1 H1 SER 1 H SER 1 -1.677 -1.542 9.740 2 HA SER 1 HA SER 1 -3.343 0.735 8.557 3 HB2 SER 1 1HB SER 1 -1.820 1.879 9.842 4 HB3 SER 1 2HB SER 1 -0.470 1.388 8.794 5 HG SER 1 HG SER 1 -1.533 2.513 7.092 6 H GLN 2 H GLN 2 -3.998 0.719 6.506 7 HA GLN 2 HA GLN 2 -2.517 -0.653 4.405 8 HB2 GLN 2 1HB GLN 2 -4.952 -0.568 4.423 9 HB3 GLN 2 2HB GLN 2 -4.902 1.208 4.329 10 HG2 GLN 2 1HG GLN 2 -5.248 0.514 1.882 11 HG3 GLN 2 2HG GLN 2 -3.590 0.925 2.377 12 HE21 GLN 2 2HE2 GLN 2 -2.499 -0.259 0.861 13 HE22 GLN 2 1HE2 GLN 2 -2.551 -1.989 0.770 14 H HIS 3 H HIS 3 -1.064 0.042 3.052 15 HA HIS 3 HA HIS 3 -0.574 2.999 2.937 16 HB2 HIS 3 1HB HIS 3 1.408 0.737 2.420 17 HB3 HIS 3 2HB HIS 3 1.761 2.481 2.439 18 HD2 HIS 3 HD2 HIS 3 1.564 -0.528 4.967 19 HE1 HIS 3 HE1 HIS 3 2.107 3.098 7.113 20 HE2 HIS 3 HE2 HIS 3 2.081 0.470 7.201 21 H GLY 4 H GLY 4 0.579 3.666 0.891 22 HA2 GLY 4 1HA GLY 4 -1.260 3.064 -1.275 23 HA3 GLY 4 2HA GLY 4 0.126 4.176 -1.332 24 H ARG 5 H ARG 5 -0.757 2.227 -3.329 25 HA ARG 5 HA ARG 5 1.178 0.028 -3.284 26 HB2 ARG 5 1HB ARG 5 -0.637 1.026 -5.432 27 HB3 ARG 5 2HB ARG 5 0.458 -0.371 -5.573 28 HG2 ARG 5 1HG ARG 5 -0.730 -1.490 -3.736 29 HG3 ARG 5 2HG ARG 5 -1.823 -0.092 -3.590 30 HD2 ARG 5 1HD ARG 5 -2.937 -1.821 -4.743 31 HD3 ARG 5 2HD ARG 5 -2.571 -0.514 -5.893 32 HE ARG 5 HE ARG 5 -0.579 -2.655 -6.131 33 HH11 ARG 5 1HH1 ARG 5 -3.876 -1.890 -6.966 34 HH12 ARG 5 2HH1 ARG 5 -3.777 -2.952 -8.357 35 HH21 ARG 5 1HH2 ARG 5 -0.452 -3.881 -7.715 36 HH22 ARG 5 2HH2 ARG 5 -1.825 -4.088 -8.785 37 H THR 6 H THR 6 1.134 3.317 -4.401 38 HA THR 6 HA THR 6 3.869 2.865 -5.554 39 HB THR 6 HB THR 6 3.541 4.943 -6.829 40 HG1 THR 6 HG1 THR 6 0.910 4.900 -5.705 41 HG21 THR 6 1HG2 THR 6 1.810 4.147 -8.403 42 HG22 THR 6 2HG2 THR 6 2.856 2.809 -7.870 43 HG23 THR 6 3HG2 THR 6 1.228 2.995 -7.178 44 H GLN 7 H GLN 7 2.186 4.067 -2.919 45 HA GLN 7 HA GLN 7 4.187 6.226 -2.414 46 HB2 GLN 7 1HB GLN 7 1.656 5.546 -0.908 47 HB3 GLN 7 2HB GLN 7 2.679 6.986 -0.700 48 HG2 GLN 7 1HG GLN 7 0.800 6.509 -3.171 49 HG3 GLN 7 2HG GLN 7 0.837 7.542 -1.723 50 HE21 GLN 7 2HE2 GLN 7 1.849 7.123 -4.977 51 HE22 GLN 7 1HE2 GLN 7 2.845 8.537 -5.099 52 H ASP 8 H ASP 8 3.750 3.000 -1.777 53 HA ASP 8 HA ASP 8 4.644 2.850 0.959 54 HB2 ASP 8 1HB ASP 8 3.630 0.894 -0.425 55 HB3 ASP 8 2HB ASP 8 5.188 1.010 -1.281 56 H GLU 9 H GLU 9 6.414 3.618 1.769 57 HA GLU 9 HA GLU 9 8.724 4.327 0.195 58 HB2 GLU 9 1HB GLU 9 8.331 3.918 3.162 59 HB3 GLU 9 2HB GLU 9 9.829 4.534 2.422 60 HG2 GLU 9 1HG GLU 9 8.490 6.519 1.523 61 HG3 GLU 9 2HG GLU 9 7.100 5.754 2.326 62 H ASN 10 H ASN 10 10.672 3.409 -0.100 63 HA ASN 10 HA ASN 10 10.906 0.590 -0.248 64 HB2 ASN 10 1HB ASN 10 12.607 2.446 -1.311 65 HB3 ASN 10 2HB ASN 10 13.028 2.360 0.417 66 HD21 ASN 10 2HD2 ASN 10 14.529 1.723 -2.073 67 HD22 ASN 10 1HD2 ASN 10 15.106 0.106 -1.848 68 HA PRO 11 HA PRO 11 11.004 -0.603 3.900 69 HB2 PRO 11 1HB PRO 11 12.114 -2.760 2.631 70 HB3 PRO 11 2HB PRO 11 10.912 -2.683 3.729 71 HG2 PRO 11 1HG PRO 11 10.250 -3.484 1.407 72 HG3 PRO 11 2HG PRO 11 9.330 -2.184 2.266 73 HD2 PRO 11 1HD PRO 11 11.594 -1.117 0.148 74 HD3 PRO 11 2HD PRO 11 10.109 -1.269 0.804 75 H VAL 12 H VAL 12 13.714 -0.889 1.785 76 HA VAL 12 HA VAL 12 15.706 -1.167 3.907 77 HB VAL 12 HB VAL 12 15.939 -0.324 0.989 78 HG11 VAL 12 1HG1 VAL 12 18.362 -0.713 1.288 79 HG12 VAL 12 2HG1 VAL 12 17.788 0.593 2.351 80 HG13 VAL 12 3HG1 VAL 12 18.099 -1.028 3.019 81 HG21 VAL 12 3HG2 VAL 12 15.184 -2.609 1.263 82 HG22 VAL 12 1HG2 VAL 12 16.857 -2.564 0.659 83 HG23 VAL 12 2HG2 VAL 12 16.538 -2.944 2.369 84 H VAL 13 H VAL 13 14.553 1.583 1.969 85 HA VAL 13 HA VAL 13 16.269 3.521 3.289 86 HB VAL 13 HB VAL 13 13.622 3.835 1.813 87 HG11 VAL 13 1HG1 VAL 13 14.200 6.238 1.716 88 HG12 VAL 13 2HG1 VAL 13 14.004 5.693 3.399 89 HG13 VAL 13 3HG1 VAL 13 15.633 5.933 2.726 90 HG21 VAL 13 3HG2 VAL 13 15.405 2.993 0.406 91 HG22 VAL 13 1HG2 VAL 13 15.010 4.677 -0.014 92 HG23 VAL 13 2HG2 VAL 13 16.472 4.316 0.934 93 H HIS 14 H HIS 14 13.018 2.312 3.971 94 HA HIS 14 HA HIS 14 12.498 4.172 6.111 95 HB2 HIS 14 1HB HIS 14 10.714 2.820 4.989 96 HB3 HIS 14 2HB HIS 14 11.397 1.352 5.729 97 HD2 HIS 14 HD2 HIS 14 10.211 0.732 8.201 98 HE1 HIS 14 HE1 HIS 14 8.653 4.624 8.895 99 HE2 HIS 14 HE2 HIS 14 8.813 2.136 9.729 100 H PHE 15 H PHE 15 13.938 0.922 6.046 101 HA PHE 15 HA PHE 15 14.427 0.659 8.836 102 HB2 PHE 15 1HB PHE 15 14.828 -1.189 7.268 103 HB3 PHE 15 2HB PHE 15 16.122 -0.263 6.473 104 HD1 PHE 15 HD1 PHE 15 15.131 -1.771 9.722 105 HD2 PHE 15 HD2 PHE 15 18.300 -0.416 7.199 106 HE1 PHE 15 HE1 PHE 15 16.785 -2.747 11.278 107 HE2 PHE 15 HE2 PHE 15 19.957 -1.394 8.750 108 HZ PHE 15 HZ PHE 15 19.199 -2.559 10.792 109 H PHE 16 H PHE 16 16.473 2.166 6.322 110 HA PHE 16 HA PHE 16 18.501 3.147 8.056 111 HB2 PHE 16 1HB PHE 16 18.750 3.267 5.628 112 HB3 PHE 16 2HB PHE 16 17.349 4.355 5.506 113 HD1 PHE 16 HD1 PHE 16 20.804 4.065 6.804 114 HD2 PHE 16 HD2 PHE 16 17.576 6.655 5.743 115 HE1 PHE 16 HE1 PHE 16 22.306 6.019 7.010 116 HE2 PHE 16 HE2 PHE 16 19.074 8.610 5.946 117 HZ PHE 16 HZ PHE 16 21.440 8.292 6.581 118 H LYS 17 H LYS 17 15.426 4.672 7.084 119 HA LYS 17 HA LYS 17 15.812 7.082 8.578 120 HB2 LYS 17 1HB LYS 17 13.348 5.593 7.683 121 HB3 LYS 17 2HB LYS 17 13.286 7.151 8.541 122 HG2 LYS 17 1HG LYS 17 14.643 8.164 6.714 123 HG3 LYS 17 2HG LYS 17 14.571 6.615 5.842 124 HD2 LYS 17 1HD LYS 17 12.119 6.761 5.765 125 HD3 LYS 17 2HD LYS 17 12.179 8.300 6.656 126 HE2 LYS 17 1HE LYS 17 13.536 9.268 4.809 127 HE3 LYS 17 2HE LYS 17 13.342 7.746 3.909 128 HZ1 LYS 17 3HZ LYS 17 11.149 9.529 4.756 129 HZ2 LYS 17 1HZ LYS 17 11.738 9.396 3.222 130 HZ3 LYS 17 2HZ LYS 17 10.968 8.117 3.922 131 H ASN 18 H ASN 18 14.603 3.908 9.517 132 HA ASN 18 HA ASN 18 13.618 4.660 12.107 133 HB2 ASN 18 1HB ASN 18 14.649 1.858 11.227 134 HB3 ASN 18 2HB ASN 18 14.033 2.562 12.741 135 HD21 ASN 18 2HD2 ASN 18 13.005 0.458 10.892 136 HD22 ASN 18 1HD2 ASN 18 11.383 0.942 10.524 137 H ILE 19 H ILE 19 16.849 3.960 10.910 138 HA ILE 19 HA ILE 19 18.020 3.784 13.597 139 HB ILE 19 HB ILE 19 19.250 4.084 10.821 140 HG12 ILE 19 1HG1 ILE 19 19.246 1.721 12.677 141 HG13 ILE 19 2HG1 ILE 19 18.062 1.976 11.374 142 HG21 ILE 19 1HG2 ILE 19 21.402 3.571 11.925 143 HG22 ILE 19 2HG2 ILE 19 20.707 5.085 12.549 144 HG23 ILE 19 3HG2 ILE 19 20.593 3.592 13.511 145 HD11 ILE 19 3HD1 ILE 19 21.068 1.706 11.017 146 HD12 ILE 19 1HD1 ILE 19 19.859 0.451 10.657 147 HD13 ILE 19 2HD1 ILE 19 19.883 1.960 9.714 148 H VAL 20 H VAL 20 17.873 6.280 11.076 149 HA VAL 20 HA VAL 20 19.496 8.082 12.821 150 HB VAL 20 HB VAL 20 19.570 9.557 10.879 151 HG11 VAL 20 1HG1 VAL 20 20.744 8.088 9.274 152 HG12 VAL 20 2HG1 VAL 20 21.199 7.697 10.949 153 HG13 VAL 20 3HG1 VAL 20 20.050 6.658 10.072 154 HG21 VAL 20 3HG2 VAL 20 17.313 9.225 10.065 155 HG22 VAL 20 1HG2 VAL 20 18.499 8.972 8.763 156 HG23 VAL 20 2HG2 VAL 20 17.723 7.573 9.544 157 H THR 21 H THR 21 16.220 7.490 11.979 158 HA THR 21 HA THR 21 15.478 9.922 13.552 159 HB THR 21 HB THR 21 14.034 8.997 11.036 160 HG1 THR 21 HG1 THR 21 15.718 11.268 11.477 161 HG21 THR 21 1HG2 THR 21 12.782 11.107 11.321 162 HG22 THR 21 2HG2 THR 21 12.591 10.051 12.742 163 HG23 THR 21 3HG2 THR 21 13.693 11.446 12.812 164 HA PRO 22 HA PRO 22 13.746 6.381 15.563 165 HB2 PRO 22 1HB PRO 22 13.465 8.393 17.391 166 HB3 PRO 22 2HB PRO 22 14.038 6.877 17.565 167 HG2 PRO 22 1HG PRO 22 15.368 8.971 16.763 168 HG3 PRO 22 2HG PRO 22 15.912 7.797 17.756 169 HD2 PRO 22 1HD PRO 22 15.058 9.974 15.322 170 HD3 PRO 22 2HD PRO 22 16.050 8.726 15.672 171 H ARG 23 H ARG 23 12.433 9.471 14.980 172 HA ARG 23 HA ARG 23 9.669 8.403 15.457 173 HB2 ARG 23 1HB ARG 23 10.647 11.222 15.557 174 HB3 ARG 23 2HB ARG 23 8.954 10.690 15.683 175 HG2 ARG 23 1HG ARG 23 9.610 9.352 17.705 176 HG3 ARG 23 2HG ARG 23 11.216 10.114 17.616 177 HD2 ARG 23 1HD ARG 23 10.256 12.268 17.984 178 HD3 ARG 23 2HD ARG 23 8.618 11.575 17.956 179 HE ARG 23 HE ARG 23 10.056 10.373 20.168 180 HH11 ARG 23 1HH1 ARG 23 8.819 13.498 19.238 181 HH12 ARG 23 2HH1 ARG 23 8.582 13.913 20.925 182 HH21 ARG 23 1HH2 ARG 23 9.799 10.836 22.104 183 HH22 ARG 23 2HH2 ARG 23 9.142 12.396 22.560 184 H THR 24 H THR 24 11.282 7.999 13.045 185 HA THR 24 HA THR 24 10.309 9.714 10.948 186 HB THR 24 HB THR 24 12.241 8.193 10.630 187 HG1 THR 24 HG1 THR 24 10.038 7.544 8.925 188 HG21 THR 24 1HG2 THR 24 11.843 5.777 10.305 189 HG22 THR 24 2HG2 THR 24 11.403 6.282 11.955 190 HG23 THR 24 3HG2 THR 24 10.133 5.999 10.742 191 HA PRO 25 HA PRO 25 6.228 8.407 10.545 192 HB2 PRO 25 1HB PRO 25 5.866 9.294 8.220 193 HB3 PRO 25 2HB PRO 25 6.015 10.257 9.524 194 HG2 PRO 25 1HG PRO 25 7.804 9.838 7.676 195 HG3 PRO 25 2HG PRO 25 7.468 11.263 8.397 196 HD2 PRO 25 1HD PRO 25 9.438 10.004 9.188 197 HD3 PRO 25 2HD PRO 25 8.481 10.786 10.254 198 HA PRO 26 HA PRO 26 6.318 4.696 8.419 199 HB2 PRO 26 1HB PRO 26 3.859 4.269 8.161 200 HB3 PRO 26 2HB PRO 26 4.610 4.243 9.608 201 HG2 PRO 26 1HG PRO 26 3.050 6.117 8.688 202 HG3 PRO 26 2HG PRO 26 3.095 5.557 10.219 203 HD2 PRO 26 1HD PRO 26 4.300 7.658 9.778 204 HD3 PRO 26 2HD PRO 26 4.962 6.549 10.775 205 HA PRO 27 HA PRO 27 5.917 4.936 4.132 206 HB2 PRO 27 1HB PRO 27 4.223 2.798 4.306 207 HB3 PRO 27 2HB PRO 27 5.559 3.018 3.401 208 HG2 PRO 27 1HG PRO 27 5.462 2.185 5.868 209 HG3 PRO 27 2HG PRO 27 6.451 1.632 4.696 210 HD2 PRO 27 1HD PRO 27 4.834 3.053 7.290 211 HD3 PRO 27 2HD PRO 27 6.311 2.835 6.632 212 H SER 28 H SER 28 4.690 5.927 2.543 213 HA SER 28 HA SER 28 2.527 7.535 3.700 214 HB2 SER 28 1HB SER 28 3.664 7.424 0.974 215 HB3 SER 28 2HB SER 28 2.428 8.557 1.566 216 HG SER 28 HG SER 28 4.551 9.405 1.708 217 H GLN 29 H GLN 29 0.379 7.599 3.077 218 HA GLN 29 HA GLN 29 -0.707 5.046 2.028 219 HB2 GLN 29 1HB GLN 29 -2.077 7.519 3.105 220 HB3 GLN 29 2HB GLN 29 -2.872 5.990 2.664 221 HG2 GLN 29 1HG GLN 29 -1.463 4.876 4.695 222 HG3 GLN 29 2HG GLN 29 -0.890 6.560 4.688 223 HE21 GLN 29 2HE2 GLN 29 -1.979 5.277 6.949 224 HE22 GLN 29 1HE2 GLN 29 -3.476 6.052 7.351 225 H GLY 30 H GLY 30 -2.432 5.034 0.464 226 HA2 GLY 30 1HA GLY 30 -1.675 6.800 -1.796 227 HA3 GLY 30 2HA GLY 30 -2.597 5.282 -1.899 228 H LYS 31 H LYS 31 -4.182 6.303 -3.192 229 HA LYS 31 HA LYS 31 -5.664 8.614 -2.181 230 HB2 LYS 31 1HB LYS 31 -6.163 6.673 -4.440 231 HB3 LYS 31 2HB LYS 31 -7.192 8.077 -4.074 232 HG2 LYS 31 1HG LYS 31 -5.289 9.583 -4.487 233 HG3 LYS 31 2HG LYS 31 -4.256 8.179 -4.848 234 HD2 LYS 31 1HD LYS 31 -5.704 7.589 -6.743 235 HD3 LYS 31 2HD LYS 31 -6.761 8.973 -6.373 236 HE2 LYS 31 1HE LYS 31 -4.882 10.511 -6.768 237 HE3 LYS 31 2HE LYS 31 -3.830 9.127 -7.143 238 HZ1 LYS 31 3HZ LYS 31 -6.241 9.907 -8.654 239 HZ2 LYS 31 1HZ LYS 31 -4.684 10.162 -9.136 240 HZ3 LYS 31 2HZ LYS 31 -5.265 8.623 -9.003 241 H GLY 32 H GLY 32 -5.827 5.197 -1.760 242 HA2 GLY 32 1HA GLY 32 -8.640 5.168 -0.966 243 HA3 GLY 32 2HA GLY 32 -7.466 3.842 -0.796 244 H ARG 33 H ARG 33 -8.948 3.901 1.279 245 HA ARG 33 HA ARG 33 -8.066 5.854 3.303 246 HB2 ARG 33 1HB ARG 33 -9.912 3.517 3.470 247 HB3 ARG 33 2HB ARG 33 -9.482 4.587 4.825 248 HG2 ARG 33 1HG ARG 33 -10.413 6.508 3.567 249 HG3 ARG 33 2HG ARG 33 -10.901 5.394 2.267 250 HD2 ARG 33 1HD ARG 33 -12.379 4.252 3.793 251 HD3 ARG 33 2HD ARG 33 -11.881 5.346 5.104 252 HE ARG 33 HE ARG 33 -13.067 6.952 3.000 253 HH11 ARG 33 1HH1 ARG 33 -14.038 4.540 5.323 254 HH12 ARG 33 2HH1 ARG 33 -15.642 5.244 5.392 255 HH21 ARG 33 1HH2 ARG 33 -14.902 7.765 3.061 256 HH22 ARG 33 2HH2 ARG 33 -16.136 7.083 4.103 257 H GLY 34 H GLY 34 -7.009 5.407 5.218 258 HA2 GLY 34 1HA GLY 34 -4.884 3.444 5.002 259 HA3 GLY 34 2HA GLY 34 -5.226 4.496 6.396 260 H LEU 35 H LEU 35 -8.120 3.393 6.167 261 HA LEU 35 HA LEU 35 -7.602 0.992 7.857 262 HB2 LEU 35 1HB LEU 35 -9.991 2.625 7.293 263 HB3 LEU 35 2HB LEU 35 -10.065 1.293 8.469 264 HG LEU 35 HG LEU 35 -8.438 3.853 8.711 265 HD11 LEU 35 1HD1 LEU 35 -9.935 4.290 10.676 266 HD12 LEU 35 2HD1 LEU 35 -10.872 4.136 9.172 267 HD13 LEU 35 3HD1 LEU 35 -10.812 2.782 10.324 268 HD21 LEU 35 3HD2 LEU 35 -7.219 1.972 9.635 269 HD22 LEU 35 1HD2 LEU 35 -7.803 3.021 10.949 270 HD23 LEU 35 2HD2 LEU 35 -8.636 1.487 10.595 271 H SER 36 H SER 36 -8.113 1.646 4.680 272 HA SER 36 HA SER 36 -10.200 -0.120 3.816 273 HB2 SER 36 1HB SER 36 -9.297 1.512 2.427 274 HB3 SER 36 2HB SER 36 -7.718 0.695 2.430 275 HG SER 36 HG SER 36 -8.997 0.149 0.611 Start of MODEL 8 1 H1 SER 1 H SER 1 14.705 12.976 4.950 2 HA SER 1 HA SER 1 15.276 11.216 7.386 3 HB2 SER 1 1HB SER 1 15.338 12.628 9.188 4 HB3 SER 1 2HB SER 1 16.296 13.303 7.849 5 HG SER 1 HG SER 1 15.003 14.875 8.896 6 H GLN 2 H GLN 2 12.524 13.274 6.496 7 HA GLN 2 HA GLN 2 10.732 12.242 8.530 8 HB2 GLN 2 1HB GLN 2 10.388 14.399 7.438 9 HB3 GLN 2 2HB GLN 2 10.201 13.580 5.869 10 HG2 GLN 2 1HG GLN 2 7.950 12.498 6.848 11 HG3 GLN 2 2HG GLN 2 8.626 13.311 8.279 12 HE21 GLN 2 2HE2 GLN 2 5.992 13.637 7.060 13 HE22 GLN 2 1HE2 GLN 2 5.863 15.304 6.608 14 H HIS 3 H HIS 3 9.620 10.463 8.649 15 HA HIS 3 HA HIS 3 10.012 8.291 6.866 16 HB2 HIS 3 1HB HIS 3 9.092 8.257 9.290 17 HB3 HIS 3 2HB HIS 3 7.512 8.627 8.557 18 HD2 HIS 3 HD2 HIS 3 9.670 5.499 9.374 19 HE1 HIS 3 HE1 HIS 3 6.684 4.385 6.563 20 HE2 HIS 3 HE2 HIS 3 8.532 3.576 8.249 21 H GLY 4 H GLY 4 9.229 7.685 5.009 22 HA2 GLY 4 1HA GLY 4 7.278 9.483 3.705 23 HA3 GLY 4 2HA GLY 4 8.271 8.235 2.916 24 H ARG 5 H ARG 5 6.389 7.505 1.803 25 HA ARG 5 HA ARG 5 4.263 6.242 3.456 26 HB2 ARG 5 1HB ARG 5 3.626 7.621 1.575 27 HB3 ARG 5 2HB ARG 5 4.461 6.487 0.487 28 HG2 ARG 5 1HG ARG 5 2.918 4.743 0.961 29 HG3 ARG 5 2HG ARG 5 2.231 5.631 2.343 30 HD2 ARG 5 1HD ARG 5 0.679 5.697 0.583 31 HD3 ARG 5 2HD ARG 5 1.397 7.318 0.741 32 HE ARG 5 HE ARG 5 2.763 5.961 -1.423 33 HH11 ARG 5 1HH1 ARG 5 -0.431 7.164 -0.711 34 HH12 ARG 5 2HH1 ARG 5 -0.704 7.466 -2.416 35 HH21 ARG 5 1HH2 ARG 5 2.464 6.293 -3.378 36 HH22 ARG 5 2HH2 ARG 5 0.947 6.970 -3.938 37 H THR 6 H THR 6 3.786 4.117 3.517 38 HA THR 6 HA THR 6 6.007 2.330 3.476 39 HB THR 6 HB THR 6 3.030 1.686 3.389 40 HG1 THR 6 HG1 THR 6 3.079 2.191 5.442 41 HG21 THR 6 1HG2 THR 6 3.714 -0.488 4.341 42 HG22 THR 6 2HG2 THR 6 4.447 -0.231 2.739 43 HG23 THR 6 3HG2 THR 6 5.423 -0.008 4.209 44 H GLN 7 H GLN 7 3.490 2.953 1.067 45 HA GLN 7 HA GLN 7 4.338 0.731 -0.627 46 HB2 GLN 7 1HB GLN 7 2.564 3.135 -1.093 47 HB3 GLN 7 2HB GLN 7 2.860 1.864 -2.302 48 HG2 GLN 7 1HG GLN 7 1.706 0.165 -0.523 49 HG3 GLN 7 2HG GLN 7 1.696 1.721 0.339 50 HE21 GLN 7 2HE2 GLN 7 -0.567 0.023 -0.285 51 HE22 GLN 7 1HE2 GLN 7 -1.627 0.948 -1.296 52 H ASP 8 H ASP 8 4.943 4.214 -0.521 53 HA ASP 8 HA ASP 8 6.216 4.295 -3.129 54 HB2 ASP 8 1HB ASP 8 6.259 6.285 -0.783 55 HB3 ASP 8 2HB ASP 8 7.096 6.383 -2.353 56 H GLU 9 H GLU 9 7.455 4.094 0.209 57 HA GLU 9 HA GLU 9 10.213 4.382 -0.859 58 HB2 GLU 9 1HB GLU 9 9.165 4.262 1.973 59 HB3 GLU 9 2HB GLU 9 10.846 4.589 1.486 60 HG2 GLU 9 1HG GLU 9 8.432 6.424 0.955 61 HG3 GLU 9 2HG GLU 9 9.768 6.588 2.117 62 H ASN 10 H ASN 10 11.910 3.003 -0.349 63 HA ASN 10 HA ASN 10 11.159 0.175 -0.383 64 HB2 ASN 10 1HB ASN 10 14.029 1.378 -0.306 65 HB3 ASN 10 2HB ASN 10 13.324 -0.256 -0.263 66 HD21 ASN 10 2HD2 ASN 10 15.052 1.201 -2.223 67 HD22 ASN 10 1HD2 ASN 10 14.240 1.023 -3.743 68 HA PRO 11 HA PRO 11 11.320 -0.798 3.797 69 HB2 PRO 11 1HB PRO 11 12.353 -3.107 3.566 70 HB3 PRO 11 2HB PRO 11 10.803 -2.756 3.207 71 HG2 PRO 11 1HG PRO 11 12.751 -3.135 1.519 72 HG3 PRO 11 2HG PRO 11 11.213 -3.650 1.357 73 HD2 PRO 11 1HD PRO 11 12.118 -1.661 0.148 74 HD3 PRO 11 2HD PRO 11 10.595 -1.736 0.728 75 H VAL 12 H VAL 12 14.119 -1.080 1.846 76 HA VAL 12 HA VAL 12 16.042 -1.060 4.054 77 HB VAL 12 HB VAL 12 16.301 -0.288 1.117 78 HG11 VAL 12 1HG1 VAL 12 18.737 -0.391 1.525 79 HG12 VAL 12 2HG1 VAL 12 17.975 0.873 2.519 80 HG13 VAL 12 3HG1 VAL 12 18.436 -0.681 3.254 81 HG21 VAL 12 3HG2 VAL 12 15.797 -2.636 1.440 82 HG22 VAL 12 1HG2 VAL 12 17.478 -2.418 0.901 83 HG23 VAL 12 2HG2 VAL 12 17.132 -2.782 2.609 84 H VAL 13 H VAL 13 14.563 1.457 2.036 85 HA VAL 13 HA VAL 13 15.916 3.666 3.342 86 HB VAL 13 HB VAL 13 13.231 3.496 1.912 87 HG11 VAL 13 1HG1 VAL 13 13.350 5.964 1.830 88 HG12 VAL 13 2HG1 VAL 13 13.283 5.381 3.511 89 HG13 VAL 13 3HG1 VAL 13 14.830 5.926 2.817 90 HG21 VAL 13 3HG2 VAL 13 15.119 3.011 0.473 91 HG22 VAL 13 1HG2 VAL 13 14.410 4.594 0.075 92 HG23 VAL 13 2HG2 VAL 13 15.929 4.506 0.999 93 H HIS 14 H HIS 14 12.902 1.945 4.053 94 HA HIS 14 HA HIS 14 12.104 3.617 6.234 95 HB2 HIS 14 1HB HIS 14 11.602 0.676 5.617 96 HB3 HIS 14 2HB HIS 14 10.881 1.515 7.011 97 HD2 HIS 14 HD2 HIS 14 9.681 0.566 3.590 98 HE1 HIS 14 HE1 HIS 14 7.971 4.371 4.396 99 HE2 HIS 14 HE2 HIS 14 7.937 2.217 2.890 100 H PHE 15 H PHE 15 14.079 0.645 6.200 101 HA PHE 15 HA PHE 15 14.660 0.569 8.981 102 HB2 PHE 15 1HB PHE 15 15.254 -1.269 7.439 103 HB3 PHE 15 2HB PHE 15 16.440 -0.218 6.631 104 HD1 PHE 15 HD1 PHE 15 15.610 -1.873 9.839 105 HD2 PHE 15 HD2 PHE 15 18.602 0.014 7.445 106 HE1 PHE 15 HE1 PHE 15 17.350 -2.618 11.430 107 HE2 PHE 15 HE2 PHE 15 20.345 -0.732 9.031 108 HZ PHE 15 HZ PHE 15 19.718 -2.047 11.025 109 H PHE 16 H PHE 16 16.506 2.160 6.363 110 HA PHE 16 HA PHE 16 18.561 3.246 7.959 111 HB2 PHE 16 1HB PHE 16 18.642 3.372 5.519 112 HB3 PHE 16 2HB PHE 16 17.208 4.422 5.493 113 HD1 PHE 16 HD1 PHE 16 20.755 4.222 6.524 114 HD2 PHE 16 HD2 PHE 16 17.382 6.729 5.755 115 HE1 PHE 16 HE1 PHE 16 22.213 6.215 6.635 116 HE2 PHE 16 HE2 PHE 16 18.837 8.725 5.863 117 HZ PHE 16 HZ PHE 16 21.254 8.467 6.305 118 H LYS 17 H LYS 17 15.403 4.712 7.165 119 HA LYS 17 HA LYS 17 15.928 7.122 8.667 120 HB2 LYS 17 1HB LYS 17 13.401 5.808 7.675 121 HB3 LYS 17 2HB LYS 17 13.422 7.362 8.542 122 HG2 LYS 17 1HG LYS 17 14.859 8.316 6.770 123 HG3 LYS 17 2HG LYS 17 14.788 6.767 5.895 124 HD2 LYS 17 1HD LYS 17 12.349 6.983 5.689 125 HD3 LYS 17 2HD LYS 17 12.405 8.519 6.586 126 HE2 LYS 17 1HE LYS 17 13.767 9.529 4.836 127 HE3 LYS 17 2HE LYS 17 13.814 7.985 3.954 128 HZ1 LYS 17 3HZ LYS 17 11.390 9.576 4.497 129 HZ2 LYS 17 1HZ LYS 17 12.168 9.478 3.046 130 HZ3 LYS 17 2HZ LYS 17 11.433 8.143 3.679 131 H ASN 18 H ASN 18 14.660 3.973 9.522 132 HA ASN 18 HA ASN 18 13.599 4.829 12.102 133 HB2 ASN 18 1HB ASN 18 14.162 1.929 11.123 134 HB3 ASN 18 2HB ASN 18 13.646 2.668 12.658 135 HD21 ASN 18 2HD2 ASN 18 12.305 0.834 10.736 136 HD22 ASN 18 1HD2 ASN 18 10.798 1.600 10.361 137 H ILE 19 H ILE 19 16.732 4.287 10.895 138 HA ILE 19 HA ILE 19 17.843 3.800 13.625 139 HB ILE 19 HB ILE 19 19.196 4.002 10.895 140 HG12 ILE 19 1HG1 ILE 19 17.851 2.046 11.034 141 HG13 ILE 19 2HG1 ILE 19 19.577 1.624 11.116 142 HG21 ILE 19 1HG2 ILE 19 21.198 3.170 12.082 143 HG22 ILE 19 2HG2 ILE 19 20.664 4.731 12.745 144 HG23 ILE 19 3HG2 ILE 19 20.309 3.224 13.622 145 HD11 ILE 19 3HD1 ILE 19 17.663 1.757 13.473 146 HD12 ILE 19 1HD1 ILE 19 18.253 0.271 12.694 147 HD13 ILE 19 2HD1 ILE 19 19.389 1.334 13.557 148 H VAL 20 H VAL 20 17.836 6.262 11.080 149 HA VAL 20 HA VAL 20 19.690 7.944 12.697 150 HB VAL 20 HB VAL 20 19.652 9.448 10.761 151 HG11 VAL 20 1HG1 VAL 20 20.634 7.936 9.069 152 HG12 VAL 20 2HG1 VAL 20 21.209 7.528 10.704 153 HG13 VAL 20 3HG1 VAL 20 19.953 6.534 9.927 154 HG21 VAL 20 3HG2 VAL 20 17.324 9.203 10.134 155 HG22 VAL 20 1HG2 VAL 20 18.389 8.904 8.741 156 HG23 VAL 20 2HG2 VAL 20 17.627 7.537 9.587 157 H THR 21 H THR 21 16.300 7.651 12.061 158 HA THR 21 HA THR 21 15.946 9.926 13.978 159 HB THR 21 HB THR 21 13.805 10.476 12.875 160 HG1 THR 21 HG1 THR 21 13.439 9.513 10.770 161 HG21 THR 21 1HG2 THR 21 14.723 11.510 10.829 162 HG22 THR 21 2HG2 THR 21 15.842 11.701 12.201 163 HG23 THR 21 3HG2 THR 21 16.165 10.475 10.951 164 HA PRO 22 HA PRO 22 13.604 7.496 16.562 165 HB2 PRO 22 1HB PRO 22 11.599 9.321 16.203 166 HB3 PRO 22 2HB PRO 22 12.296 8.770 17.569 167 HG2 PRO 22 1HG PRO 22 13.153 10.702 16.045 168 HG3 PRO 22 2HG PRO 22 13.178 10.668 17.674 169 HD2 PRO 22 1HD PRO 22 13.615 10.602 14.315 170 HD3 PRO 22 2HD PRO 22 14.411 10.578 15.738 171 H ARG 23 H ARG 23 12.525 5.623 16.417 172 HA ARG 23 HA ARG 23 11.582 4.716 13.930 173 HB2 ARG 23 1HB ARG 23 10.839 3.808 16.672 174 HB3 ARG 23 2HB ARG 23 10.348 3.001 15.164 175 HG2 ARG 23 1HG ARG 23 12.711 2.631 14.594 176 HG3 ARG 23 2HG ARG 23 13.201 3.435 16.106 177 HD2 ARG 23 1HD ARG 23 11.517 0.957 15.981 178 HD3 ARG 23 2HD ARG 23 13.290 0.964 16.129 179 HE ARG 23 HE ARG 23 12.298 2.446 18.377 180 HH11 ARG 23 1HH1 ARG 23 11.960 -0.801 17.151 181 HH12 ARG 23 2HH1 ARG 23 11.768 -1.405 18.785 182 HH21 ARG 23 1HH2 ARG 23 12.071 1.772 20.253 183 HH22 ARG 23 2HH2 ARG 23 11.830 0.061 20.556 184 H THR 24 H THR 24 9.983 5.227 12.685 185 HA THR 24 HA THR 24 7.558 6.472 13.943 186 HB THR 24 HB THR 24 8.757 6.988 11.188 187 HG1 THR 24 HG1 THR 24 9.807 7.977 13.077 188 HG21 THR 24 1HG2 THR 24 7.002 8.716 11.013 189 HG22 THR 24 2HG2 THR 24 6.289 7.097 11.204 190 HG23 THR 24 3HG2 THR 24 6.348 8.211 12.590 191 HA PRO 25 HA PRO 25 5.502 2.924 12.578 192 HB2 PRO 25 1HB PRO 25 3.433 4.642 13.070 193 HB3 PRO 25 2HB PRO 25 3.685 3.116 13.582 194 HG2 PRO 25 1HG PRO 25 4.612 5.299 14.660 195 HG3 PRO 25 2HG PRO 25 4.051 3.989 15.452 196 HD2 PRO 25 1HD PRO 25 5.691 6.511 13.914 197 HD3 PRO 25 2HD PRO 25 5.896 5.225 14.895 198 HA PRO 26 HA PRO 26 5.127 4.007 8.368 199 HB2 PRO 26 1HB PRO 26 4.360 1.390 8.348 200 HB3 PRO 26 2HB PRO 26 5.475 2.173 7.455 201 HG2 PRO 26 1HG PRO 26 5.821 1.114 9.810 202 HG3 PRO 26 2HG PRO 26 6.877 1.083 8.569 203 HD2 PRO 26 1HD PRO 26 5.132 1.584 11.338 204 HD3 PRO 26 2HD PRO 26 6.513 2.002 10.577 205 HA PRO 27 HA PRO 27 0.900 4.793 8.193 206 HB2 PRO 27 1HB PRO 27 0.767 5.490 5.783 207 HB3 PRO 27 2HB PRO 27 1.483 6.401 6.929 208 HG2 PRO 27 1HG PRO 27 2.667 4.981 5.093 209 HG3 PRO 27 2HG PRO 27 3.112 6.462 5.613 210 HD2 PRO 27 1HD PRO 27 4.341 4.530 6.524 211 HD3 PRO 27 2HD PRO 27 3.961 5.782 7.498 212 H SER 28 H SER 28 -1.098 3.983 7.438 213 HA SER 28 HA SER 28 -0.993 1.174 6.597 214 HB2 SER 28 1HB SER 28 -3.263 1.170 6.733 215 HB3 SER 28 2HB SER 28 -2.599 2.043 8.133 216 HG SER 28 HG SER 28 -4.409 3.096 7.205 217 H GLN 29 H GLN 29 -2.265 0.402 4.743 218 HA GLN 29 HA GLN 29 -1.386 1.738 2.295 219 HB2 GLN 29 1HB GLN 29 -3.104 -0.696 2.814 220 HB3 GLN 29 2HB GLN 29 -2.615 -0.133 1.198 221 HG2 GLN 29 1HG GLN 29 -0.062 -0.595 2.030 222 HG3 GLN 29 2HG GLN 29 -1.044 -1.032 3.448 223 HE21 GLN 29 2HE2 GLN 29 0.796 -2.770 2.196 224 HE22 GLN 29 1HE2 GLN 29 -0.086 -4.088 1.499 225 H GLY 30 H GLY 30 -2.538 2.701 0.722 226 HA2 GLY 30 1HA GLY 30 -4.536 3.467 -0.327 227 HA3 GLY 30 2HA GLY 30 -5.450 3.081 1.149 228 H LYS 31 H LYS 31 -2.756 4.510 2.282 229 HA LYS 31 HA LYS 31 -4.121 7.135 2.549 230 HB2 LYS 31 1HB LYS 31 -1.607 6.071 3.843 231 HB3 LYS 31 2HB LYS 31 -2.444 7.590 4.241 232 HG2 LYS 31 1HG LYS 31 -3.597 4.800 4.589 233 HG3 LYS 31 2HG LYS 31 -2.897 5.792 5.890 234 HD2 LYS 31 1HD LYS 31 -4.598 7.559 5.367 235 HD3 LYS 31 2HD LYS 31 -5.348 6.427 4.217 236 HE2 LYS 31 1HE LYS 31 -5.681 4.810 6.060 237 HE3 LYS 31 2HE LYS 31 -4.991 5.990 7.198 238 HZ1 LYS 31 3HZ LYS 31 -7.435 6.384 5.594 239 HZ2 LYS 31 1HZ LYS 31 -7.392 6.046 7.207 240 HZ3 LYS 31 2HZ LYS 31 -6.795 7.479 6.648 241 H GLY 32 H GLY 32 -3.065 9.120 2.246 242 HA2 GLY 32 1HA GLY 32 -1.533 9.159 -0.230 243 HA3 GLY 32 2HA GLY 32 -2.042 10.564 0.734 244 H ARG 33 H ARG 33 0.482 10.369 -0.481 245 HA ARG 33 HA ARG 33 2.509 9.447 1.364 246 HB2 ARG 33 1HB ARG 33 2.931 9.693 -0.980 247 HB3 ARG 33 2HB ARG 33 2.719 11.453 -0.838 248 HG2 ARG 33 1HG ARG 33 4.644 11.533 0.717 249 HG3 ARG 33 2HG ARG 33 4.875 9.781 0.491 250 HD2 ARG 33 1HD ARG 33 5.289 10.169 -1.877 251 HD3 ARG 33 2HD ARG 33 5.120 11.918 -1.602 252 HE ARG 33 HE ARG 33 7.387 11.867 -0.597 253 HH11 ARG 33 1HH1 ARG 33 6.262 8.628 -1.230 254 HH12 ARG 33 2HH1 ARG 33 7.886 8.011 -0.998 255 HH21 ARG 33 1HH2 ARG 33 9.251 11.175 -0.321 256 HH22 ARG 33 2HH2 ARG 33 9.591 9.463 -0.478 257 H GLY 34 H GLY 34 0.863 12.547 0.897 258 HA2 GLY 34 1HA GLY 34 2.756 14.088 2.399 259 HA3 GLY 34 2HA GLY 34 1.094 14.572 1.989 260 H LEU 35 H LEU 35 0.188 11.961 3.325 261 HA LEU 35 HA LEU 35 -0.432 13.142 5.887 262 HB2 LEU 35 1HB LEU 35 -0.614 10.439 4.739 263 HB3 LEU 35 2HB LEU 35 -1.322 10.736 6.345 264 HG LEU 35 HG LEU 35 -2.171 11.990 3.705 265 HD11 LEU 35 1HD1 LEU 35 -4.328 10.788 4.153 266 HD12 LEU 35 2HD1 LEU 35 -2.965 9.650 4.043 267 HD13 LEU 35 3HD1 LEU 35 -3.620 10.103 5.635 268 HD21 LEU 35 3HD2 LEU 35 -2.319 13.613 5.499 269 HD22 LEU 35 1HD2 LEU 35 -3.951 13.101 5.009 270 HD23 LEU 35 2HD2 LEU 35 -3.229 12.463 6.506 271 H SER 36 H SER 36 2.129 11.073 4.751 272 HA SER 36 HA SER 36 3.085 10.580 7.575 273 HB2 SER 36 1HB SER 36 2.782 8.651 6.307 274 HB3 SER 36 2HB SER 36 3.839 9.284 5.025 275 HG SER 36 HG SER 36 5.544 9.257 6.464 Start of MODEL 9 1 H1 SER 1 H SER 1 11.452 13.703 9.477 2 HA SER 1 HA SER 1 8.436 14.180 9.664 3 HB2 SER 1 1HB SER 1 7.712 14.574 7.557 4 HB3 SER 1 2HB SER 1 9.242 15.449 7.794 5 HG SER 1 HG SER 1 8.906 12.992 6.415 6 H GLN 2 H GLN 2 6.704 12.914 8.326 7 HA GLN 2 HA GLN 2 6.922 10.135 9.106 8 HB2 GLN 2 1HB GLN 2 4.812 11.429 9.051 9 HB3 GLN 2 2HB GLN 2 4.935 11.499 7.277 10 HG2 GLN 2 1HG GLN 2 4.658 8.822 7.297 11 HG3 GLN 2 2HG GLN 2 4.756 9.207 9.030 12 HE21 GLN 2 2HE2 GLN 2 2.659 7.730 7.855 13 HE22 GLN 2 1HE2 GLN 2 1.198 8.652 7.991 14 H HIS 3 H HIS 3 7.438 8.363 8.055 15 HA HIS 3 HA HIS 3 8.836 8.583 5.522 16 HB2 HIS 3 1HB HIS 3 9.038 6.125 5.684 17 HB3 HIS 3 2HB HIS 3 9.439 6.882 7.245 18 HD2 HIS 3 HD2 HIS 3 7.892 5.936 9.433 19 HE1 HIS 3 HE1 HIS 3 5.191 3.714 7.021 20 HE2 HIS 3 HE2 HIS 3 5.995 4.306 9.453 21 H GLY 4 H GLY 4 8.343 7.039 3.710 22 HA2 GLY 4 1HA GLY 4 5.625 7.748 2.798 23 HA3 GLY 4 2HA GLY 4 6.958 7.125 1.799 24 H ARG 5 H ARG 5 4.842 5.924 1.094 25 HA ARG 5 HA ARG 5 3.925 3.755 2.798 26 HB2 ARG 5 1HB ARG 5 3.567 4.253 -0.122 27 HB3 ARG 5 2HB ARG 5 2.850 2.903 0.788 28 HG2 ARG 5 1HG ARG 5 1.586 4.449 2.167 29 HG3 ARG 5 2HG ARG 5 2.376 5.840 1.383 30 HD2 ARG 5 1HD ARG 5 0.572 3.857 0.033 31 HD3 ARG 5 2HD ARG 5 0.101 5.470 0.618 32 HE ARG 5 HE ARG 5 2.205 5.809 -1.351 33 HH11 ARG 5 1HH1 ARG 5 -1.113 4.747 -1.213 34 HH12 ARG 5 2HH1 ARG 5 -1.367 5.308 -2.854 35 HH21 ARG 5 1HH2 ARG 5 1.933 6.450 -3.234 36 HH22 ARG 5 2HH2 ARG 5 0.370 6.278 -4.008 37 H THR 6 H THR 6 3.956 1.468 2.007 38 HA THR 6 HA THR 6 6.688 0.551 1.985 39 HB THR 6 HB THR 6 4.117 -0.950 1.333 40 HG1 THR 6 HG1 THR 6 4.290 -1.594 3.524 41 HG21 THR 6 1HG2 THR 6 5.443 -2.967 1.858 42 HG22 THR 6 2HG2 THR 6 6.137 -2.088 0.474 43 HG23 THR 6 3HG2 THR 6 6.891 -1.958 2.081 44 H GLN 7 H GLN 7 4.309 1.092 -0.554 45 HA GLN 7 HA GLN 7 6.014 -0.147 -2.600 46 HB2 GLN 7 1HB GLN 7 3.507 1.539 -2.729 47 HB3 GLN 7 2HB GLN 7 4.335 0.865 -4.152 48 HG2 GLN 7 1HG GLN 7 3.775 -1.572 -3.095 49 HG3 GLN 7 2HG GLN 7 3.131 -0.447 -1.877 50 HE21 GLN 7 2HE2 GLN 7 1.641 -2.495 -3.178 51 HE22 GLN 7 1HE2 GLN 7 0.408 -1.733 -4.127 52 H ASP 8 H ASP 8 5.304 3.103 -1.428 53 HA ASP 8 HA ASP 8 6.748 4.382 -3.635 54 HB2 ASP 8 1HB ASP 8 5.604 5.512 -1.011 55 HB3 ASP 8 2HB ASP 8 6.558 6.338 -2.269 56 H GLU 9 H GLU 9 7.458 3.389 -0.334 57 HA GLU 9 HA GLU 9 10.273 4.348 -0.757 58 HB2 GLU 9 1HB GLU 9 9.065 5.629 0.957 59 HB3 GLU 9 2HB GLU 9 8.718 4.113 1.824 60 HG2 GLU 9 1HG GLU 9 11.238 3.802 2.151 61 HG3 GLU 9 2HG GLU 9 11.387 5.339 1.271 62 H ASN 10 H ASN 10 11.834 2.937 -0.677 63 HA ASN 10 HA ASN 10 11.264 0.118 -0.489 64 HB2 ASN 10 1HB ASN 10 14.078 1.447 -0.455 65 HB3 ASN 10 2HB ASN 10 13.438 -0.214 -0.403 66 HD21 ASN 10 2HD2 ASN 10 15.076 1.355 -2.381 67 HD22 ASN 10 1HD2 ASN 10 14.264 1.124 -3.894 68 HA PRO 11 HA PRO 11 11.244 -0.738 3.714 69 HB2 PRO 11 1HB PRO 11 12.567 -2.959 2.818 70 HB3 PRO 11 2HB PRO 11 11.241 -2.823 3.756 71 HG2 PRO 11 1HG PRO 11 11.327 -2.782 1.151 72 HG3 PRO 11 2HG PRO 11 10.198 -3.513 2.074 73 HD2 PRO 11 1HD PRO 11 12.202 -1.619 0.109 74 HD3 PRO 11 2HD PRO 11 10.670 -1.779 0.646 75 H VAL 12 H VAL 12 14.163 -1.188 1.912 76 HA VAL 12 HA VAL 12 15.994 -1.095 4.148 77 HB VAL 12 HB VAL 12 16.352 -0.327 1.222 78 HG11 VAL 12 1HG1 VAL 12 18.774 -0.463 1.698 79 HG12 VAL 12 2HG1 VAL 12 18.002 0.814 2.666 80 HG13 VAL 12 3HG1 VAL 12 18.421 -0.744 3.418 81 HG21 VAL 12 3HG2 VAL 12 15.805 -2.666 1.536 82 HG22 VAL 12 1HG2 VAL 12 17.504 -2.474 1.044 83 HG23 VAL 12 2HG2 VAL 12 17.105 -2.827 2.742 84 H VAL 13 H VAL 13 14.582 1.453 2.134 85 HA VAL 13 HA VAL 13 16.068 3.604 3.427 86 HB VAL 13 HB VAL 13 13.442 3.597 1.882 87 HG11 VAL 13 1HG1 VAL 13 13.772 6.042 1.728 88 HG12 VAL 13 2HG1 VAL 13 13.593 5.525 3.421 89 HG13 VAL 13 3HG1 VAL 13 15.204 5.914 2.774 90 HG21 VAL 13 3HG2 VAL 13 15.334 2.906 0.536 91 HG22 VAL 13 1HG2 VAL 13 14.777 4.527 0.060 92 HG23 VAL 13 2HG2 VAL 13 16.247 4.346 1.048 93 H HIS 14 H HIS 14 12.854 2.191 3.981 94 HA HIS 14 HA HIS 14 12.106 3.823 6.173 95 HB2 HIS 14 1HB HIS 14 10.551 2.190 5.193 96 HB3 HIS 14 2HB HIS 14 11.595 0.848 5.721 97 HD2 HIS 14 HD2 HIS 14 8.837 3.274 7.255 98 HE1 HIS 14 HE1 HIS 14 10.116 0.450 10.160 99 HE2 HIS 14 HE2 HIS 14 8.402 2.343 9.537 100 H PHE 15 H PHE 15 14.122 0.889 6.131 101 HA PHE 15 HA PHE 15 14.526 0.789 8.974 102 HB2 PHE 15 1HB PHE 15 16.312 -0.211 6.713 103 HB3 PHE 15 2HB PHE 15 16.438 -0.676 8.424 104 HD1 PHE 15 HD1 PHE 15 13.213 -0.597 8.533 105 HD2 PHE 15 HD2 PHE 15 16.183 -2.616 6.220 106 HE1 PHE 15 HE1 PHE 15 11.638 -2.462 8.143 107 HE2 PHE 15 HE2 PHE 15 14.611 -4.483 5.827 108 HZ PHE 15 HZ PHE 15 12.338 -4.406 6.790 109 H PHE 16 H PHE 16 16.460 2.270 6.368 110 HA PHE 16 HA PHE 16 18.538 3.317 7.989 111 HB2 PHE 16 1HB PHE 16 18.654 3.396 5.543 112 HB3 PHE 16 2HB PHE 16 17.253 4.489 5.485 113 HD1 PHE 16 HD1 PHE 16 20.777 4.193 6.576 114 HD2 PHE 16 HD2 PHE 16 17.497 6.791 5.713 115 HE1 PHE 16 HE1 PHE 16 22.294 6.141 6.683 116 HE2 PHE 16 HE2 PHE 16 19.012 8.742 5.816 117 HZ PHE 16 HZ PHE 16 21.412 8.417 6.303 118 H LYS 17 H LYS 17 15.428 4.831 7.097 119 HA LYS 17 HA LYS 17 15.888 7.246 8.575 120 HB2 LYS 17 1HB LYS 17 13.374 5.825 7.704 121 HB3 LYS 17 2HB LYS 17 13.377 7.404 8.525 122 HG2 LYS 17 1HG LYS 17 14.717 8.350 6.676 123 HG3 LYS 17 2HG LYS 17 14.671 6.774 5.850 124 HD2 LYS 17 1HD LYS 17 12.235 6.898 5.690 125 HD3 LYS 17 2HD LYS 17 12.238 8.437 6.584 126 HE2 LYS 17 1HE LYS 17 13.568 9.473 4.788 127 HE3 LYS 17 2HE LYS 17 13.547 7.936 3.893 128 HZ1 LYS 17 3HZ LYS 17 11.175 9.546 4.591 129 HZ2 LYS 17 1HZ LYS 17 11.865 9.454 3.095 130 HZ3 LYS 17 2HZ LYS 17 11.156 8.121 3.760 131 H ASN 18 H ASN 18 14.434 4.148 9.491 132 HA ASN 18 HA ASN 18 13.509 5.013 12.077 133 HB2 ASN 18 1HB ASN 18 12.916 2.653 10.809 134 HB3 ASN 18 2HB ASN 18 14.562 2.451 11.454 135 HD21 ASN 18 2HD2 ASN 18 14.475 1.141 13.101 136 HD22 ASN 18 1HD2 ASN 18 13.351 1.221 14.417 137 H ILE 19 H ILE 19 16.640 4.043 10.878 138 HA ILE 19 HA ILE 19 17.779 3.695 13.576 139 HB ILE 19 HB ILE 19 19.029 3.889 10.799 140 HG12 ILE 19 1HG1 ILE 19 18.854 1.542 12.664 141 HG13 ILE 19 2HG1 ILE 19 17.669 1.887 11.383 142 HG21 ILE 19 1HG2 ILE 19 21.135 3.206 11.897 143 HG22 ILE 19 2HG2 ILE 19 20.570 4.775 12.517 144 HG23 ILE 19 3HG2 ILE 19 20.338 3.302 13.486 145 HD11 ILE 19 3HD1 ILE 19 20.636 1.374 10.971 146 HD12 ILE 19 1HD1 ILE 19 19.325 0.220 10.638 147 HD13 ILE 19 2HD1 ILE 19 19.452 1.720 9.689 148 H VAL 20 H VAL 20 17.798 6.230 11.092 149 HA VAL 20 HA VAL 20 19.723 7.794 12.757 150 HB VAL 20 HB VAL 20 19.896 9.261 10.823 151 HG11 VAL 20 1HG1 VAL 20 20.755 7.669 9.137 152 HG12 VAL 20 2HG1 VAL 20 21.245 7.189 10.779 153 HG13 VAL 20 3HG1 VAL 20 19.912 6.338 9.964 154 HG21 VAL 20 3HG2 VAL 20 17.570 9.265 10.143 155 HG22 VAL 20 1HG2 VAL 20 18.631 8.869 8.770 156 HG23 VAL 20 2HG2 VAL 20 17.712 7.581 9.583 157 H THR 21 H THR 21 16.365 7.570 12.236 158 HA THR 21 HA THR 21 16.076 10.169 13.712 159 HB THR 21 HB THR 21 13.886 10.428 12.810 160 HG1 THR 21 HG1 THR 21 13.267 8.205 12.929 161 HG21 THR 21 1HG2 THR 21 14.248 10.416 10.367 162 HG22 THR 21 2HG2 THR 21 15.684 11.023 11.225 163 HG23 THR 21 3HG2 THR 21 15.666 9.363 10.582 164 HA PRO 22 HA PRO 22 14.157 8.287 17.131 165 HB2 PRO 22 1HB PRO 22 12.009 9.843 16.488 166 HB3 PRO 22 2HB PRO 22 12.842 9.711 17.882 167 HG2 PRO 22 1HG PRO 22 13.421 11.241 15.853 168 HG3 PRO 22 2HG PRO 22 13.558 11.629 17.432 169 HD2 PRO 22 1HD PRO 22 13.890 10.782 14.232 170 HD3 PRO 22 2HD PRO 22 14.738 11.131 15.581 171 H ARG 23 H ARG 23 12.463 6.812 17.804 172 HA ARG 23 HA ARG 23 12.174 4.803 15.861 173 HB2 ARG 23 1HB ARG 23 10.552 5.308 18.311 174 HB3 ARG 23 2HB ARG 23 10.402 3.871 17.273 175 HG2 ARG 23 1HG ARG 23 12.746 3.295 17.725 176 HG3 ARG 23 2HG ARG 23 12.906 4.740 18.752 177 HD2 ARG 23 1HD ARG 23 10.982 2.504 19.281 178 HD3 ARG 23 2HD ARG 23 12.627 2.593 19.949 179 HE ARG 23 HE ARG 23 11.277 4.978 20.810 180 HH11 ARG 23 1HH1 ARG 23 10.859 1.541 21.224 181 HH12 ARG 23 2HH1 ARG 23 10.151 1.812 22.805 182 HH21 ARG 23 1HH2 ARG 23 10.461 5.305 22.615 183 HH22 ARG 23 2HH2 ARG 23 9.923 3.958 23.599 184 H THR 24 H THR 24 11.107 4.630 14.073 185 HA THR 24 HA THR 24 8.780 6.444 13.623 186 HB THR 24 HB THR 24 9.066 5.952 11.253 187 HG1 THR 24 HG1 THR 24 10.963 4.061 12.221 188 HG21 THR 24 1HG2 THR 24 11.336 6.856 10.892 189 HG22 THR 24 2HG2 THR 24 10.510 7.710 12.217 190 HG23 THR 24 3HG2 THR 24 11.752 6.489 12.583 191 HA PRO 25 HA PRO 25 5.866 3.277 13.615 192 HB2 PRO 25 1HB PRO 25 4.350 4.103 11.781 193 HB3 PRO 25 2HB PRO 25 4.477 4.836 13.231 194 HG2 PRO 25 1HG PRO 25 5.490 5.649 10.972 195 HG3 PRO 25 2HG PRO 25 4.806 6.583 12.121 196 HD2 PRO 25 1HD PRO 25 7.271 6.464 12.012 197 HD3 PRO 25 2HD PRO 25 6.505 6.501 13.453 198 HA PRO 26 HA PRO 26 6.787 0.355 10.682 199 HB2 PRO 26 1HB PRO 26 4.639 -0.962 10.548 200 HB3 PRO 26 2HB PRO 26 5.612 -0.963 11.855 201 HG2 PRO 26 1HG PRO 26 3.337 0.285 11.597 202 HG3 PRO 26 2HG PRO 26 3.874 -0.490 12.928 203 HD2 PRO 26 1HD PRO 26 4.037 1.976 12.805 204 HD3 PRO 26 2HD PRO 26 5.223 1.086 13.483 205 HA PRO 27 HA PRO 27 5.485 1.443 6.748 206 HB2 PRO 27 1HB PRO 27 5.949 -0.663 5.466 207 HB3 PRO 27 2HB PRO 27 7.133 0.264 6.095 208 HG2 PRO 27 1HG PRO 27 6.293 -2.029 7.004 209 HG3 PRO 27 2HG PRO 27 7.841 -1.519 6.939 210 HD2 PRO 27 1HD PRO 27 6.702 -1.318 9.112 211 HD3 PRO 27 2HD PRO 27 7.696 -0.125 8.614 212 H SER 28 H SER 28 4.102 0.749 4.803 213 HA SER 28 HA SER 28 1.419 0.265 5.913 214 HB2 SER 28 1HB SER 28 0.613 0.686 3.821 215 HB3 SER 28 2HB SER 28 1.854 1.892 4.234 216 HG SER 28 HG SER 28 2.191 -0.366 2.548 217 H GLN 29 H GLN 29 -0.044 -1.283 4.801 218 HA GLN 29 HA GLN 29 0.960 -3.979 5.012 219 HB2 GLN 29 1HB GLN 29 -1.375 -3.300 5.455 220 HB3 GLN 29 2HB GLN 29 -1.571 -2.935 3.724 221 HG2 GLN 29 1HG GLN 29 -1.175 -5.572 3.288 222 HG3 GLN 29 2HG GLN 29 -0.929 -5.426 5.044 223 HE21 GLN 29 2HE2 GLN 29 -2.732 -7.242 3.991 224 HE22 GLN 29 1HE2 GLN 29 -4.346 -6.745 4.375 225 H GLY 30 H GLY 30 2.212 -5.001 3.688 226 HA2 GLY 30 1HA GLY 30 2.383 -4.204 0.864 227 HA3 GLY 30 2HA GLY 30 3.364 -5.437 1.689 228 H LYS 31 H LYS 31 1.145 -8.137 1.037 229 HA LYS 31 HA LYS 31 2.900 -6.743 3.003 230 HB2 LYS 31 1HB LYS 31 1.903 -9.588 2.811 231 HB3 LYS 31 2HB LYS 31 3.005 -8.976 4.068 232 HG2 LYS 31 1HG LYS 31 1.276 -7.427 4.854 233 HG3 LYS 31 2HG LYS 31 0.173 -7.995 3.577 234 HD2 LYS 31 1HD LYS 31 0.233 -10.265 4.538 235 HD3 LYS 31 2HD LYS 31 1.325 -9.689 5.821 236 HE2 LYS 31 1HE LYS 31 -0.404 -8.117 6.588 237 HE3 LYS 31 2HE LYS 31 -1.496 -8.697 5.309 238 HZ1 LYS 31 3HZ LYS 31 -0.423 -10.331 7.518 239 HZ2 LYS 31 1HZ LYS 31 -1.961 -9.744 7.420 240 HZ3 LYS 31 2HZ LYS 31 -1.436 -10.869 6.333 241 H GLY 32 H GLY 32 5.026 -7.218 3.328 242 HA2 GLY 32 1HA GLY 32 6.385 -8.256 0.902 243 HA3 GLY 32 2HA GLY 32 7.124 -7.284 2.195 244 H ARG 33 H ARG 33 8.837 -8.914 2.089 245 HA ARG 33 HA ARG 33 8.247 -11.633 3.008 246 HB2 ARG 33 1HB ARG 33 10.812 -10.182 2.555 247 HB3 ARG 33 2HB ARG 33 10.686 -11.848 3.164 248 HG2 ARG 33 1HG ARG 33 9.539 -12.525 1.106 249 HG3 ARG 33 2HG ARG 33 9.636 -10.855 0.497 250 HD2 ARG 33 1HD ARG 33 12.042 -11.001 0.462 251 HD3 ARG 33 2HD ARG 33 11.956 -12.663 1.093 252 HE ARG 33 HE ARG 33 10.560 -12.715 -1.403 253 HH11 ARG 33 1HH1 ARG 33 13.786 -11.887 -0.372 254 HH12 ARG 33 2HH1 ARG 33 14.422 -12.416 -1.917 255 HH21 ARG 33 1HH2 ARG 33 11.271 -13.317 -3.180 256 HH22 ARG 33 2HH2 ARG 33 12.989 -13.230 -3.520 257 H GLY 34 H GLY 34 9.159 -8.593 4.474 258 HA2 GLY 34 1HA GLY 34 8.970 -8.049 6.750 259 HA3 GLY 34 2HA GLY 34 8.692 -9.765 7.128 260 H LEU 35 H LEU 35 11.371 -8.907 5.089 261 HA LEU 35 HA LEU 35 13.238 -9.945 7.130 262 HB2 LEU 35 1HB LEU 35 13.544 -8.976 4.363 263 HB3 LEU 35 2HB LEU 35 14.912 -9.737 5.210 264 HG LEU 35 HG LEU 35 12.296 -11.066 4.401 265 HD11 LEU 35 1HD1 LEU 35 13.777 -12.454 2.926 266 HD12 LEU 35 2HD1 LEU 35 13.895 -10.726 2.519 267 HD13 LEU 35 3HD1 LEU 35 15.180 -11.507 3.471 268 HD21 LEU 35 3HD2 LEU 35 13.067 -11.916 6.537 269 HD22 LEU 35 1HD2 LEU 35 13.298 -13.149 5.275 270 HD23 LEU 35 2HD2 LEU 35 14.691 -12.210 5.868 271 H SER 36 H SER 36 15.032 -8.917 7.927 272 HA SER 36 HA SER 36 15.444 -6.004 7.430 273 HB2 SER 36 1HB SER 36 13.590 -5.872 8.818 274 HB3 SER 36 2HB SER 36 14.365 -6.926 10.024 275 HG SER 36 HG SER 36 14.612 -4.700 10.500 Start of MODEL 10 1 H1 SER 1 H SER 1 -4.237 -0.728 -2.582 2 HA SER 1 HA SER 1 -3.939 0.880 -5.167 3 HB2 SER 1 1HB SER 1 -6.492 1.485 -3.802 4 HB3 SER 1 2HB SER 1 -5.942 2.037 -5.401 5 HG SER 1 HG SER 1 -7.285 0.185 -5.513 6 H GLN 2 H GLN 2 -4.773 1.972 -1.863 7 HA GLN 2 HA GLN 2 -4.329 4.735 -2.176 8 HB2 GLN 2 1HB GLN 2 -5.253 3.671 -0.164 9 HB3 GLN 2 2HB GLN 2 -3.654 2.976 0.191 10 HG2 GLN 2 1HG GLN 2 -2.811 5.541 0.488 11 HG3 GLN 2 2HG GLN 2 -4.520 5.727 0.027 12 HE21 GLN 2 2HE2 GLN 2 -3.526 6.891 2.329 13 HE22 GLN 2 1HE2 GLN 2 -4.189 6.092 3.716 14 H HIS 3 H HIS 3 -1.945 2.229 -1.294 15 HA HIS 3 HA HIS 3 0.181 4.169 -2.142 16 HB2 HIS 3 1HB HIS 3 0.390 1.867 -0.147 17 HB3 HIS 3 2HB HIS 3 1.714 2.951 -0.638 18 HD2 HIS 3 HD2 HIS 3 -0.822 2.715 2.233 19 HE1 HIS 3 HE1 HIS 3 0.334 6.787 1.873 20 HE2 HIS 3 HE2 HIS 3 -0.863 4.960 3.336 21 H GLY 4 H GLY 4 -1.488 1.435 -3.037 22 HA2 GLY 4 1HA GLY 4 0.700 -0.022 -4.279 23 HA3 GLY 4 2HA GLY 4 -1.040 -0.261 -4.563 24 H ARG 5 H ARG 5 -1.358 2.668 -5.146 25 HA ARG 5 HA ARG 5 -0.794 2.533 -8.013 26 HB2 ARG 5 1HB ARG 5 -2.010 4.633 -6.287 27 HB3 ARG 5 2HB ARG 5 -1.683 4.839 -8.023 28 HG2 ARG 5 1HG ARG 5 -3.153 2.943 -8.533 29 HG3 ARG 5 2HG ARG 5 -3.465 2.710 -6.797 30 HD2 ARG 5 1HD ARG 5 -4.537 4.861 -6.687 31 HD3 ARG 5 2HD ARG 5 -4.194 5.133 -8.412 32 HE ARG 5 HE ARG 5 -5.849 2.792 -8.290 33 HH11 ARG 5 1HH1 ARG 5 -6.144 6.137 -7.353 34 HH12 ARG 5 2HH1 ARG 5 -7.871 6.073 -7.645 35 HH21 ARG 5 1HH2 ARG 5 -7.826 2.700 -8.622 36 HH22 ARG 5 2HH2 ARG 5 -8.832 4.114 -8.368 37 H THR 6 H THR 6 0.804 3.813 -5.216 38 HA THR 6 HA THR 6 2.506 5.623 -6.816 39 HB THR 6 HB THR 6 3.563 6.204 -4.719 40 HG1 THR 6 HG1 THR 6 2.296 3.834 -3.828 41 HG21 THR 6 1HG2 THR 6 1.619 6.934 -3.381 42 HG22 THR 6 2HG2 THR 6 1.335 7.198 -5.118 43 HG23 THR 6 3HG2 THR 6 0.573 5.819 -4.291 44 H GLN 7 H GLN 7 4.899 5.531 -6.424 45 HA GLN 7 HA GLN 7 5.829 3.061 -7.592 46 HB2 GLN 7 1HB GLN 7 6.839 5.270 -8.010 47 HB3 GLN 7 2HB GLN 7 7.370 5.329 -6.311 48 HG2 GLN 7 1HG GLN 7 8.946 3.222 -6.882 49 HG3 GLN 7 2HG GLN 7 8.028 3.432 -8.391 50 HE21 GLN 7 2HE2 GLN 7 10.826 3.353 -8.304 51 HE22 GLN 7 1HE2 GLN 7 11.443 4.914 -8.734 52 H ASP 8 H ASP 8 6.718 1.303 -6.800 53 HA ASP 8 HA ASP 8 6.501 0.634 -4.033 54 HB2 ASP 8 1HB ASP 8 8.236 -0.632 -6.239 55 HB3 ASP 8 2HB ASP 8 8.037 -1.121 -4.539 56 H GLU 9 H GLU 9 7.519 1.372 -2.363 57 HA GLU 9 HA GLU 9 10.232 2.541 -2.686 58 HB2 GLU 9 1HB GLU 9 8.393 2.368 -0.293 59 HB3 GLU 9 2HB GLU 9 9.950 3.228 -0.360 60 HG2 GLU 9 1HG GLU 9 8.918 4.739 -2.184 61 HG3 GLU 9 2HG GLU 9 7.437 3.806 -1.868 62 H ASN 10 H ASN 10 12.046 1.881 -1.625 63 HA ASN 10 HA ASN 10 12.137 -0.939 -0.791 64 HB2 ASN 10 1HB ASN 10 14.469 1.123 -0.740 65 HB3 ASN 10 2HB ASN 10 14.236 -0.573 -0.250 66 HD21 ASN 10 2HD2 ASN 10 15.867 0.874 -2.364 67 HD22 ASN 10 1HD2 ASN 10 15.547 -0.013 -3.818 68 HA PRO 11 HA PRO 11 11.222 -0.192 3.361 69 HB2 PRO 11 1HB PRO 11 11.897 -2.500 4.139 70 HB3 PRO 11 2HB PRO 11 10.522 -2.191 3.320 71 HG2 PRO 11 1HG PRO 11 12.689 -3.294 2.381 72 HG3 PRO 11 2HG PRO 11 11.154 -3.720 2.034 73 HD2 PRO 11 1HD PRO 11 12.464 -2.343 0.441 74 HD3 PRO 11 2HD PRO 11 10.872 -2.082 0.690 75 H VAL 12 H VAL 12 14.224 -1.225 2.154 76 HA VAL 12 HA VAL 12 15.762 -0.998 4.609 77 HB VAL 12 HB VAL 12 16.575 -0.741 1.684 78 HG11 VAL 12 1HG1 VAL 12 18.882 -1.059 2.517 79 HG12 VAL 12 2HG1 VAL 12 18.160 0.427 3.178 80 HG13 VAL 12 3HG1 VAL 12 18.281 -1.031 4.191 81 HG21 VAL 12 3HG2 VAL 12 15.703 -2.933 2.237 82 HG22 VAL 12 1HG2 VAL 12 17.461 -3.001 1.973 83 HG23 VAL 12 2HG2 VAL 12 16.809 -3.042 3.629 84 H VAL 13 H VAL 13 14.720 1.334 2.193 85 HA VAL 13 HA VAL 13 16.317 3.540 3.202 86 HB VAL 13 HB VAL 13 13.657 3.475 1.717 87 HG11 VAL 13 1HG1 VAL 13 14.076 5.871 1.278 88 HG12 VAL 13 2HG1 VAL 13 13.910 5.560 3.021 89 HG13 VAL 13 3HG1 VAL 13 15.523 5.808 2.311 90 HG21 VAL 13 3HG2 VAL 13 15.497 2.560 0.434 91 HG22 VAL 13 1HG2 VAL 13 14.994 4.137 -0.218 92 HG23 VAL 13 2HG2 VAL 13 16.473 4.011 0.763 93 H HIS 14 H HIS 14 13.107 2.306 4.051 94 HA HIS 14 HA HIS 14 12.695 4.414 6.037 95 HB2 HIS 14 1HB HIS 14 11.247 1.802 5.432 96 HB3 HIS 14 2HB HIS 14 10.765 2.908 6.740 97 HD2 HIS 14 HD2 HIS 14 10.010 2.394 2.974 98 HE1 HIS 14 HE1 HIS 14 8.874 6.348 4.037 99 HE2 HIS 14 HE2 HIS 14 8.763 4.434 2.239 100 H PHE 15 H PHE 15 14.175 1.259 5.987 101 HA PHE 15 HA PHE 15 14.395 0.996 8.871 102 HB2 PHE 15 1HB PHE 15 16.039 -0.175 6.586 103 HB3 PHE 15 2HB PHE 15 16.223 -0.622 8.298 104 HD1 PHE 15 HD1 PHE 15 12.967 -0.173 8.420 105 HD2 PHE 15 HD2 PHE 15 15.737 -2.654 6.318 106 HE1 PHE 15 HE1 PHE 15 11.218 -1.900 8.159 107 HE2 PHE 15 HE2 PHE 15 13.990 -4.384 6.052 108 HZ PHE 15 HZ PHE 15 11.731 -4.006 6.974 109 H PHE 16 H PHE 16 16.522 2.356 6.352 110 HA PHE 16 HA PHE 16 18.555 3.344 8.082 111 HB2 PHE 16 1HB PHE 16 18.779 3.429 5.637 112 HB3 PHE 16 2HB PHE 16 17.412 4.562 5.530 113 HD1 PHE 16 HD1 PHE 16 20.872 4.158 6.783 114 HD2 PHE 16 HD2 PHE 16 17.712 6.853 5.784 115 HE1 PHE 16 HE1 PHE 16 22.436 6.062 6.979 116 HE2 PHE 16 HE2 PHE 16 19.274 8.759 5.977 117 HZ PHE 16 HZ PHE 16 21.637 8.363 6.576 118 H LYS 17 H LYS 17 15.467 4.840 7.110 119 HA LYS 17 HA LYS 17 15.754 7.200 8.704 120 HB2 LYS 17 1HB LYS 17 13.332 5.640 7.804 121 HB3 LYS 17 2HB LYS 17 13.246 7.194 8.668 122 HG2 LYS 17 1HG LYS 17 14.468 8.287 6.836 123 HG3 LYS 17 2HG LYS 17 14.572 6.734 5.973 124 HD2 LYS 17 1HD LYS 17 12.107 6.639 5.867 125 HD3 LYS 17 2HD LYS 17 12.017 8.205 6.706 126 HE2 LYS 17 1HE LYS 17 13.274 9.251 4.858 127 HE3 LYS 17 2HE LYS 17 13.319 7.687 4.014 128 HZ1 LYS 17 3HZ LYS 17 10.877 9.195 4.701 129 HZ2 LYS 17 1HZ LYS 17 11.546 9.086 3.198 130 HZ3 LYS 17 2HZ LYS 17 10.918 7.742 3.919 131 H ASN 18 H ASN 18 14.577 3.958 9.493 132 HA ASN 18 HA ASN 18 13.695 4.608 12.160 133 HB2 ASN 18 1HB ASN 18 13.204 2.286 10.828 134 HB3 ASN 18 2HB ASN 18 14.921 2.192 11.289 135 HD21 ASN 18 2HD2 ASN 18 15.093 0.739 12.810 136 HD22 ASN 18 1HD2 ASN 18 14.120 0.634 14.239 137 H ILE 19 H ILE 19 16.834 3.839 10.785 138 HA ILE 19 HA ILE 19 18.140 3.472 13.380 139 HB ILE 19 HB ILE 19 19.208 4.011 10.574 140 HG12 ILE 19 1HG1 ILE 19 19.391 1.530 12.258 141 HG13 ILE 19 2HG1 ILE 19 18.103 1.835 11.069 142 HG21 ILE 19 1HG2 ILE 19 21.436 3.485 11.509 143 HG22 ILE 19 2HG2 ILE 19 20.745 4.934 12.276 144 HG23 ILE 19 3HG2 ILE 19 20.727 3.379 13.138 145 HD11 ILE 19 3HD1 ILE 19 21.078 1.681 10.468 146 HD12 ILE 19 1HD1 ILE 19 19.877 0.418 10.115 147 HD13 ILE 19 2HD1 ILE 19 19.790 1.987 9.280 148 H VAL 20 H VAL 20 17.770 6.195 11.141 149 HA VAL 20 HA VAL 20 19.584 7.825 12.867 150 HB VAL 20 HB VAL 20 19.471 9.475 11.081 151 HG11 VAL 20 1HG1 VAL 20 20.425 8.165 9.213 152 HG12 VAL 20 2HG1 VAL 20 21.058 7.603 10.779 153 HG13 VAL 20 3HG1 VAL 20 19.796 6.668 9.942 154 HG21 VAL 20 3HG2 VAL 20 17.130 9.247 10.502 155 HG22 VAL 20 1HG2 VAL 20 18.154 9.115 9.054 156 HG23 VAL 20 2HG2 VAL 20 17.444 7.653 9.777 157 H THR 21 H THR 21 16.244 7.265 12.416 158 HA THR 21 HA THR 21 15.691 9.701 14.078 159 HB THR 21 HB THR 21 13.863 8.413 12.008 160 HG1 THR 21 HG1 THR 21 14.190 10.454 10.941 161 HG21 THR 21 1HG2 THR 21 12.375 10.321 12.502 162 HG22 THR 21 2HG2 THR 21 12.650 9.331 13.955 163 HG23 THR 21 3HG2 THR 21 13.506 10.878 13.757 164 HA PRO 22 HA PRO 22 14.505 6.744 16.954 165 HB2 PRO 22 1HB PRO 22 13.662 8.429 18.649 166 HB3 PRO 22 2HB PRO 22 15.239 8.147 18.354 167 HG2 PRO 22 1HG PRO 22 13.840 10.194 17.554 168 HG3 PRO 22 2HG PRO 22 15.381 10.221 18.091 169 HD2 PRO 22 1HD PRO 22 14.834 10.339 15.665 170 HD3 PRO 22 2HD PRO 22 16.123 9.517 16.234 171 H ARG 23 H ARG 23 12.402 9.212 15.839 172 HA ARG 23 HA ARG 23 9.961 7.900 16.766 173 HB2 ARG 23 1HB ARG 23 10.382 10.063 14.752 174 HB3 ARG 23 2HB ARG 23 8.808 9.437 15.296 175 HG2 ARG 23 1HG ARG 23 9.260 10.185 17.569 176 HG3 ARG 23 2HG ARG 23 10.882 10.739 17.086 177 HD2 ARG 23 1HD ARG 23 9.862 12.375 15.608 178 HD3 ARG 23 2HD ARG 23 8.253 11.838 16.145 179 HE ARG 23 HE ARG 23 9.655 12.764 18.489 180 HH11 ARG 23 1HH1 ARG 23 8.500 14.112 15.487 181 HH12 ARG 23 2HH1 ARG 23 8.260 15.663 16.269 182 HH21 ARG 23 1HH2 ARG 23 9.393 14.536 19.396 183 HH22 ARG 23 2HH2 ARG 23 8.770 15.906 18.497 184 H THR 24 H THR 24 8.644 6.521 15.797 185 HA THR 24 HA THR 24 9.747 4.736 13.863 186 HB THR 24 HB THR 24 6.812 5.176 14.561 187 HG1 THR 24 HG1 THR 24 7.238 3.424 16.032 188 HG21 THR 24 1HG2 THR 24 6.553 2.836 13.812 189 HG22 THR 24 2HG2 THR 24 7.165 3.866 12.494 190 HG23 THR 24 3HG2 THR 24 8.276 2.786 13.370 191 HA PRO 25 HA PRO 25 9.006 7.049 10.268 192 HB2 PRO 25 1HB PRO 25 10.148 5.430 8.738 193 HB3 PRO 25 2HB PRO 25 10.970 6.375 9.780 194 HG2 PRO 25 1HG PRO 25 10.517 3.819 10.008 195 HG3 PRO 25 2HG PRO 25 11.900 4.597 10.384 196 HD2 PRO 25 1HD PRO 25 10.414 4.102 12.277 197 HD3 PRO 25 2HD PRO 25 11.176 5.544 12.231 198 HA PRO 26 HA PRO 26 5.534 5.278 8.498 199 HB2 PRO 26 1HB PRO 26 5.710 6.165 6.138 200 HB3 PRO 26 2HB PRO 26 5.324 7.090 7.422 201 HG2 PRO 26 1HG PRO 26 7.612 7.018 6.177 202 HG3 PRO 26 2HG PRO 26 6.864 8.346 6.758 203 HD2 PRO 26 1HD PRO 26 8.743 7.317 8.007 204 HD3 PRO 26 2HD PRO 26 7.447 7.942 8.774 205 HA PRO 27 HA PRO 27 6.646 1.660 6.498 206 HB2 PRO 27 1HB PRO 27 4.430 0.969 5.543 207 HB3 PRO 27 2HB PRO 27 4.736 0.978 7.144 208 HG2 PRO 27 1HG PRO 27 3.295 2.696 5.817 209 HG3 PRO 27 2HG PRO 27 2.968 2.092 7.297 210 HD2 PRO 27 1HD PRO 27 3.992 4.330 7.217 211 HD3 PRO 27 2HD PRO 27 4.467 3.270 8.363 212 H SER 28 H SER 28 7.111 0.644 4.499 213 HA SER 28 HA SER 28 7.647 2.433 2.302 214 HB2 SER 28 1HB SER 28 8.960 0.605 2.541 215 HB3 SER 28 2HB SER 28 7.575 -0.510 2.509 216 HG SER 28 HG SER 28 8.755 -0.282 0.495 217 H GLN 29 H GLN 29 6.353 3.204 0.761 218 HA GLN 29 HA GLN 29 3.591 2.313 0.458 219 HB2 GLN 29 1HB GLN 29 5.353 4.090 -1.244 220 HB3 GLN 29 2HB GLN 29 3.612 3.824 -1.502 221 HG2 GLN 29 1HG GLN 29 3.310 4.954 0.978 222 HG3 GLN 29 2HG GLN 29 5.064 5.019 0.685 223 HE21 GLN 29 2HE2 GLN 29 1.897 6.252 -0.285 224 HE22 GLN 29 1HE2 GLN 29 2.481 7.667 -1.095 225 H GLY 30 H GLY 30 2.651 1.071 -1.028 226 HA2 GLY 30 1HA GLY 30 2.463 -0.427 -2.795 227 HA3 GLY 30 2HA GLY 30 4.069 0.087 -3.361 228 H LYS 31 H LYS 31 4.788 -1.992 -3.799 229 HA LYS 31 HA LYS 31 4.587 -4.186 -1.940 230 HB2 LYS 31 1HB LYS 31 4.959 -4.414 -4.369 231 HB3 LYS 31 2HB LYS 31 6.583 -3.715 -4.161 232 HG2 LYS 31 1HG LYS 31 7.249 -5.605 -2.767 233 HG3 LYS 31 2HG LYS 31 5.610 -6.291 -2.879 234 HD2 LYS 31 1HD LYS 31 5.872 -6.516 -5.320 235 HD3 LYS 31 2HD LYS 31 7.516 -5.842 -5.202 236 HE2 LYS 31 1HE LYS 31 8.182 -7.716 -3.759 237 HE3 LYS 31 2HE LYS 31 6.541 -8.392 -3.876 238 HZ1 LYS 31 3HZ LYS 31 8.404 -8.010 -6.133 239 HZ2 LYS 31 1HZ LYS 31 8.052 -9.452 -5.413 240 HZ3 LYS 31 2HZ LYS 31 6.882 -8.636 -6.242 241 H GLY 32 H GLY 32 5.775 -4.863 -0.317 242 HA2 GLY 32 1HA GLY 32 7.819 -5.078 0.915 243 HA3 GLY 32 2HA GLY 32 8.419 -3.587 0.153 244 H ARG 33 H ARG 33 5.151 -3.530 1.232 245 HA ARG 33 HA ARG 33 5.616 -1.297 2.969 246 HB2 ARG 33 1HB ARG 33 3.535 -1.693 1.814 247 HB3 ARG 33 2HB ARG 33 3.230 -3.089 2.874 248 HG2 ARG 33 1HG ARG 33 3.152 -1.634 4.822 249 HG3 ARG 33 2HG ARG 33 3.563 -0.224 3.816 250 HD2 ARG 33 1HD ARG 33 1.473 -0.474 2.622 251 HD3 ARG 33 2HD ARG 33 1.062 -1.875 3.640 252 HE ARG 33 HE ARG 33 1.384 0.404 5.391 253 HH11 ARG 33 1HH1 ARG 33 -0.753 -0.622 2.835 254 HH12 ARG 33 2HH1 ARG 33 -2.068 0.281 3.563 255 HH21 ARG 33 1HH2 ARG 33 -0.108 1.451 6.232 256 HH22 ARG 33 2HH2 ARG 33 -1.700 1.464 5.500 257 H GLY 34 H GLY 34 5.955 -1.050 5.058 258 HA2 GLY 34 1HA GLY 34 6.814 -3.439 6.537 259 HA3 GLY 34 2HA GLY 34 6.981 -1.744 7.050 260 H LEU 35 H LEU 35 6.288 -2.694 9.144 261 HA LEU 35 HA LEU 35 3.349 -3.252 9.255 262 HB2 LEU 35 1HB LEU 35 5.576 -3.714 11.129 263 HB3 LEU 35 2HB LEU 35 3.923 -4.217 11.550 264 HG LEU 35 HG LEU 35 5.647 -5.325 9.301 265 HD11 LEU 35 1HD1 LEU 35 5.532 -7.450 10.628 266 HD12 LEU 35 2HD1 LEU 35 6.283 -6.140 11.568 267 HD13 LEU 35 3HD1 LEU 35 4.591 -6.601 11.876 268 HD21 LEU 35 3HD2 LEU 35 3.319 -5.224 8.632 269 HD22 LEU 35 1HD2 LEU 35 3.796 -6.915 8.916 270 HD23 LEU 35 2HD2 LEU 35 2.823 -6.049 10.130 271 H SER 36 H SER 36 5.324 -0.692 9.479 272 HA SER 36 HA SER 36 4.727 0.642 11.941 273 HB2 SER 36 1HB SER 36 6.410 1.384 10.545 274 HB3 SER 36 2HB SER 36 5.249 1.746 9.248 275 HG SER 36 HG SER 36 5.896 3.542 10.647
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