NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
645138 | 6so0 | 27277 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 -7.050 -5.632 -4.393 2 H2 GLY 1 2H GLY 1 -6.531 -4.104 -4.297 3 H3 GLY 1 3H GLY 1 -5.805 -5.260 -3.430 4 HA2 GLY 1 1HA GLY 1 -5.030 -6.269 -5.412 5 HA3 GLY 1 2HA GLY 1 -5.763 -5.102 -6.287 6 H SER 2 H SER 2 -3.438 -4.948 -7.153 7 HA SER 2 HA SER 2 -1.607 -3.678 -5.428 8 HB2 SER 2 1HB SER 2 -0.385 -3.304 -7.581 9 HB3 SER 2 2HB SER 2 -0.668 -4.871 -7.216 10 HG SER 2 HG SER 2 -1.190 -4.148 -9.385 11 HA PRO 3 HA PRO 3 -3.069 0.347 -6.068 12 HB2 PRO 3 1HB PRO 3 -0.947 1.937 -5.779 13 HB3 PRO 3 2HB PRO 3 -1.522 1.147 -4.470 14 HG2 PRO 3 1HG PRO 3 0.653 0.365 -6.159 15 HG3 PRO 3 2HG PRO 3 0.633 0.426 -4.527 16 HD2 PRO 3 1HD PRO 3 0.234 -1.832 -5.728 17 HD3 PRO 3 2HD PRO 3 -0.582 -1.494 -4.355 18 H THR 4 H THR 4 -3.756 1.574 -7.652 19 HA THR 4 HA THR 4 -2.353 1.188 -10.115 20 HB THR 4 HB THR 4 -4.655 1.775 -11.105 21 HG1 THR 4 HG1 THR 4 -6.270 2.115 -9.751 22 HG21 THR 4 1HG2 THR 4 -5.646 -0.330 -10.589 23 HG22 THR 4 2HG2 THR 4 -4.640 -0.525 -9.338 24 HG23 THR 4 3HG2 THR 4 -4.067 -0.565 -10.850 25 H PHE 5 H PHE 5 -2.136 3.403 -8.014 26 HA PHE 5 HA PHE 5 -3.121 5.691 -9.061 27 HB2 PHE 5 1HB PHE 5 -2.142 5.494 -6.831 28 HB3 PHE 5 2HB PHE 5 -0.656 5.415 -7.505 29 HD1 PHE 5 HD1 PHE 5 0.534 7.403 -8.159 30 HD2 PHE 5 HD2 PHE 5 -3.376 7.656 -6.763 31 HE1 PHE 5 HE1 PHE 5 0.802 9.780 -7.874 32 HE2 PHE 5 HE2 PHE 5 -3.129 10.048 -6.506 33 HZ PHE 5 HZ PHE 5 -1.029 11.103 -7.060 34 H CYS 6 H CYS 6 -0.078 4.287 -9.914 35 HA CYS 6 HA CYS 6 0.268 6.426 -11.810 36 HB2 CYS 6 1HB CYS 6 2.035 5.339 -10.067 37 HB3 CYS 6 2HB CYS 6 2.581 5.007 -11.570 38 H GLN 7 H GLN 7 -0.892 3.491 -11.810 39 HA GLN 7 HA GLN 7 0.550 2.268 -13.856 40 HB2 GLN 7 1HB GLN 7 -1.944 1.752 -12.590 41 HB3 GLN 7 2HB GLN 7 -1.589 0.927 -13.954 42 HG2 GLN 7 1HG GLN 7 0.408 0.112 -12.846 43 HG3 GLN 7 2HG GLN 7 -0.143 0.795 -11.468 44 HE21 GLN 7 1HE2 GLN 7 -1.782 -2.063 -10.540 45 HE22 GLN 7 2HE2 GLN 7 -0.777 -0.728 -10.086 46 H GLY 8 H GLY 8 0.608 2.716 -15.993 47 HA2 GLY 8 1HA GLY 8 -0.326 3.214 -18.007 48 HA3 GLY 8 2HA GLY 8 -1.794 3.397 -17.316 49 H LYS 9 H LYS 9 0.129 5.302 -15.548 50 HA LYS 9 HA LYS 9 -0.818 7.575 -16.893 51 HB2 LYS 9 1HB LYS 9 0.504 7.195 -14.398 52 HB3 LYS 9 2HB LYS 9 0.576 8.696 -15.037 53 HG2 LYS 9 1HG LYS 9 -1.864 8.644 -15.130 54 HG3 LYS 9 2HG LYS 9 -1.788 7.298 -14.209 55 HD2 LYS 9 1HD LYS 9 -0.559 8.517 -12.611 56 HD3 LYS 9 2HD LYS 9 -0.780 9.861 -13.513 57 HE2 LYS 9 1HE LYS 9 -3.060 9.814 -13.138 58 HE3 LYS 9 2HE LYS 9 -2.958 8.349 -12.424 59 HZ1 LYS 9 1HZ LYS 9 -3.104 10.055 -10.767 60 HZ2 LYS 9 2HZ LYS 9 -1.776 10.757 -11.365 61 HZ3 LYS 9 3HZ LYS 9 -1.675 9.306 -10.659 62 H ALA 10 H ALA 10 0.238 9.174 -17.979 63 HA ALA 10 HA ALA 10 2.761 8.689 -19.044 64 HB1 ALA 10 1HB ALA 10 1.210 10.164 -20.165 65 HB2 ALA 10 2HB ALA 10 2.575 10.982 -19.874 66 HB3 ALA 10 3HB ALA 10 1.281 11.207 -18.931 67 H ASP 11 H ASP 11 4.747 9.888 -18.658 68 HA ASP 11 HA ASP 11 5.333 10.187 -15.980 69 HB2 ASP 11 1HB ASP 11 7.480 10.985 -16.765 70 HB3 ASP 11 2HB ASP 11 7.029 9.625 -17.549 71 H GLY 12 H GLY 12 6.612 12.282 -15.216 72 HA2 GLY 12 1HA GLY 12 6.453 14.669 -15.289 73 HA3 GLY 12 2HA GLY 12 4.899 14.546 -15.777 74 H LEU 13 H LEU 13 4.934 16.192 -13.826 75 HA LEU 13 HA LEU 13 4.754 14.717 -11.389 76 HB2 LEU 13 1HB LEU 13 4.805 17.582 -11.740 77 HB3 LEU 13 2HB LEU 13 4.869 16.839 -10.287 78 HG LEU 13 HG LEU 13 6.983 16.963 -12.214 79 HD11 LEU 13 1HD1 LEU 13 8.115 18.176 -10.467 80 HD12 LEU 13 2HD1 LEU 13 6.812 18.025 -9.521 81 HD13 LEU 13 3HD1 LEU 13 6.739 18.929 -10.861 82 HD21 LEU 13 1HD2 LEU 13 8.345 15.735 -10.738 83 HD22 LEU 13 2HD2 LEU 13 7.099 14.837 -11.246 84 HD23 LEU 13 3HD2 LEU 13 7.078 15.486 -9.765 85 H TYR 14 H TYR 14 3.027 14.877 -9.884 86 HA TYR 14 HA TYR 14 0.575 15.956 -10.954 87 HB2 TYR 14 1HB TYR 14 0.895 13.341 -9.754 88 HB3 TYR 14 2HB TYR 14 -0.567 13.990 -10.082 89 HD1 TYR 14 HD1 TYR 14 2.365 12.577 -11.582 90 HD2 TYR 14 HD2 TYR 14 -1.471 13.963 -12.356 91 HE1 TYR 14 HE1 TYR 14 2.503 11.688 -13.829 92 HE2 TYR 14 HE2 TYR 14 -1.349 13.031 -14.585 93 HH TYR 14 HH TYR 14 0.648 10.833 -15.636 94 HA PRO 15 HA PRO 15 0.319 17.856 -7.143 95 HB2 PRO 15 1HB PRO 15 -2.306 18.281 -6.706 96 HB3 PRO 15 2HB PRO 15 -1.566 19.092 -7.914 97 HG2 PRO 15 1HG PRO 15 -3.044 16.669 -8.092 98 HG3 PRO 15 2HG PRO 15 -3.212 18.014 -9.004 99 HD2 PRO 15 1HD PRO 15 -1.822 16.046 -9.939 100 HD3 PRO 15 2HD PRO 15 -1.300 17.570 -10.207 101 H ASN 16 H ASN 16 0.267 17.819 -5.039 102 HA ASN 16 HA ASN 16 -0.100 15.196 -3.980 103 HB2 ASN 16 1HB ASN 16 1.293 15.944 -2.222 104 HB3 ASN 16 2HB ASN 16 1.958 16.455 -3.624 105 HD21 ASN 16 1HD2 ASN 16 1.491 19.064 -0.873 106 HD22 ASN 16 2HD2 ASN 16 1.800 17.366 -0.727 107 HA PRO 17 HA PRO 17 -3.605 16.316 -1.873 108 HB2 PRO 17 1HB PRO 17 -4.022 14.319 -0.142 109 HB3 PRO 17 2HB PRO 17 -3.866 13.909 -1.715 110 HG2 PRO 17 1HG PRO 17 -1.850 13.892 0.302 111 HG3 PRO 17 2HG PRO 17 -2.208 12.704 -0.760 112 HD2 PRO 17 1HD PRO 17 -0.242 14.419 -1.204 113 HD3 PRO 17 2HD PRO 17 -1.040 13.696 -2.432 114 H ARG 18 H ARG 18 -0.964 16.464 0.152 115 HA ARG 18 HA ARG 18 -2.559 17.732 2.130 116 HB2 ARG 18 1HB ARG 18 -2.196 15.349 2.776 117 HB3 ARG 18 2HB ARG 18 -0.593 15.658 2.834 118 HG2 ARG 18 1HG ARG 18 -0.981 17.110 4.707 119 HG3 ARG 18 2HG ARG 18 -2.556 16.679 4.679 120 HD2 ARG 18 1HD ARG 18 -1.926 14.407 5.110 121 HD3 ARG 18 2HD ARG 18 -0.361 14.867 5.182 122 HE ARG 18 HE ARG 18 -1.815 16.354 7.014 123 HH11 ARG 18 1HH1 ARG 18 -0.497 13.112 6.614 124 HH12 ARG 18 2HH1 ARG 18 -0.451 12.826 8.322 125 HH21 ARG 18 1HH2 ARG 18 -1.739 15.912 9.175 126 HH22 ARG 18 2HH2 ARG 18 -1.146 14.391 9.751 127 H GLU 19 H GLU 19 0.764 17.130 1.357 128 HA GLU 19 HA GLU 19 1.606 18.973 3.279 129 HB2 GLU 19 1HB GLU 19 3.184 17.782 1.164 130 HB3 GLU 19 2HB GLU 19 3.825 18.566 2.445 131 HG2 GLU 19 1HG GLU 19 2.441 16.049 2.522 132 HG3 GLU 19 2HG GLU 19 4.023 16.291 2.851 133 H ARG 20 H ARG 20 3.175 20.818 2.848 134 HA ARG 20 HA ARG 20 1.719 22.597 1.351 135 HB2 ARG 20 1HB ARG 20 3.119 23.204 3.264 136 HB3 ARG 20 2HB ARG 20 4.440 22.969 2.332 137 HG2 ARG 20 1HG ARG 20 4.022 25.285 2.557 138 HG3 ARG 20 2HG ARG 20 3.824 24.845 0.997 139 HD2 ARG 20 1HD ARG 20 1.518 24.912 1.188 140 HD3 ARG 20 2HD ARG 20 1.600 25.045 2.813 141 HE ARG 20 HE ARG 20 1.960 27.144 0.911 142 HH11 ARG 20 1HH1 ARG 20 2.094 26.263 4.335 143 HH12 ARG 20 2HH1 ARG 20 2.048 27.920 4.837 144 HH21 ARG 20 1HH2 ARG 20 1.923 29.211 1.655 145 HH22 ARG 20 2HH2 ARG 20 1.955 29.546 3.354 146 H SER 21 H SER 21 4.716 21.077 0.523 147 HA SER 21 HA SER 21 4.360 21.986 -2.128 148 HB2 SER 21 1HB SER 21 6.943 22.416 -0.803 149 HB3 SER 21 2HB SER 21 6.589 22.933 -2.311 150 HG SER 21 HG SER 21 6.501 24.561 -0.718 151 H SER 22 H SER 22 4.179 19.333 -1.137 152 HA SER 22 HA SER 22 6.475 18.081 -2.385 153 HB2 SER 22 1HB SER 22 5.784 16.040 -1.462 154 HB3 SER 22 2HB SER 22 5.768 17.159 -0.273 155 HG SER 22 HG SER 22 3.498 16.576 -1.695 156 H PHE 23 H PHE 23 5.895 16.137 -3.876 157 HA PHE 23 HA PHE 23 3.448 16.562 -5.260 158 HB2 PHE 23 1HB PHE 23 4.562 16.584 -7.425 159 HB3 PHE 23 2HB PHE 23 4.833 17.931 -6.543 160 HD1 PHE 23 HD1 PHE 23 6.985 18.677 -6.163 161 HD2 PHE 23 HD2 PHE 23 6.425 14.756 -7.392 162 HE1 PHE 23 HE1 PHE 23 9.372 18.422 -6.406 163 HE2 PHE 23 HE2 PHE 23 8.806 14.494 -7.671 164 HZ PHE 23 HZ PHE 23 10.285 16.325 -7.155 165 H TYR 24 H TYR 24 3.083 14.898 -6.991 166 HA TYR 24 HA TYR 24 4.310 12.379 -6.271 167 HB2 TYR 24 1HB TYR 24 1.986 12.915 -7.874 168 HB3 TYR 24 2HB TYR 24 2.635 11.423 -7.741 169 HD1 TYR 24 HD1 TYR 24 2.635 10.323 -5.426 170 HD2 TYR 24 HD2 TYR 24 0.339 13.643 -6.382 171 HE1 TYR 24 HE1 TYR 24 1.148 9.821 -3.593 172 HE2 TYR 24 HE2 TYR 24 -1.151 13.138 -4.547 173 HH TYR 24 HH TYR 24 -1.871 11.077 -3.227 174 H SER 25 H SER 25 5.489 11.258 -7.991 175 HA SER 25 HA SER 25 5.753 12.698 -10.491 176 HB2 SER 25 1HB SER 25 7.727 13.190 -9.271 177 HB3 SER 25 2HB SER 25 7.966 11.602 -8.975 178 HG SER 25 HG SER 25 9.289 12.101 -10.598 179 H CYS 26 H CYS 26 5.698 11.320 -12.309 180 HA CYS 26 HA CYS 26 5.553 8.503 -11.659 181 HB2 CYS 26 1HB CYS 26 3.633 9.842 -12.664 182 HB3 CYS 26 2HB CYS 26 4.398 9.429 -14.047 183 H ALA 27 H ALA 27 7.041 7.155 -12.532 184 HA ALA 27 HA ALA 27 8.411 8.044 -14.911 185 HB1 ALA 27 1HB ALA 27 9.891 8.665 -13.118 186 HB2 ALA 27 2HB ALA 27 10.567 7.458 -13.955 187 HB3 ALA 27 3HB ALA 27 9.850 7.156 -12.538 188 H ALA 28 H ALA 28 8.042 6.511 -16.411 189 HA ALA 28 HA ALA 28 7.582 4.517 -17.248 190 HB1 ALA 28 1HB ALA 28 9.927 4.090 -16.773 191 HB2 ALA 28 2HB ALA 28 9.104 2.699 -16.715 192 HB3 ALA 28 3HB ALA 28 9.525 3.448 -15.345 193 H GLY 29 H GLY 29 5.662 5.286 -15.416 194 HA2 GLY 29 1HA GLY 29 3.811 4.302 -14.542 195 HA3 GLY 29 2HA GLY 29 4.405 2.821 -14.894 196 H ARG 30 H ARG 30 6.691 4.257 -13.113 197 HA ARG 30 HA ARG 30 5.798 2.988 -10.687 198 HB2 ARG 30 1HB ARG 30 8.406 4.061 -11.274 199 HB3 ARG 30 2HB ARG 30 8.031 3.185 -9.947 200 HG2 ARG 30 1HG ARG 30 7.933 2.117 -12.609 201 HG3 ARG 30 2HG ARG 30 9.220 1.935 -11.621 202 HD2 ARG 30 1HD ARG 30 7.836 0.709 -10.069 203 HD3 ARG 30 2HD ARG 30 6.574 0.858 -11.095 204 HE ARG 30 HE ARG 30 8.475 -0.339 -12.589 205 HH11 ARG 30 1HH1 ARG 30 8.649 -2.522 -12.876 206 HH12 ARG 30 2HH1 ARG 30 8.018 -3.623 -11.697 207 HH21 ARG 30 1HH2 ARG 30 6.826 -1.172 -9.588 208 HH22 ARG 30 2HH2 ARG 30 7.002 -2.873 -9.865 209 H LEU 31 H LEU 31 5.686 4.118 -8.681 210 HA LEU 31 HA LEU 31 5.237 6.904 -9.118 211 HB2 LEU 31 1HB LEU 31 3.425 5.664 -8.131 212 HB3 LEU 31 2HB LEU 31 4.398 5.224 -6.896 213 HG LEU 31 HG LEU 31 4.420 7.498 -6.127 214 HD11 LEU 31 1HD1 LEU 31 2.988 9.108 -7.128 215 HD12 LEU 31 2HD1 LEU 31 2.572 8.044 -8.272 216 HD13 LEU 31 3HD1 LEU 31 4.088 8.604 -8.202 217 HD21 LEU 31 1HD2 LEU 31 2.145 7.515 -5.323 218 HD22 LEU 31 2HD2 LEU 31 2.736 6.012 -5.237 219 HD23 LEU 31 3HD2 LEU 31 1.736 6.419 -6.440 220 H PHE 32 H PHE 32 6.432 8.493 -8.305 221 HA PHE 32 HA PHE 32 8.099 7.881 -6.013 222 HB2 PHE 32 1HB PHE 32 8.627 9.674 -8.180 223 HB3 PHE 32 2HB PHE 32 9.422 9.817 -6.761 224 HD1 PHE 32 HD1 PHE 32 8.892 7.549 -9.518 225 HD2 PHE 32 HD2 PHE 32 11.286 8.482 -6.255 226 HE1 PHE 32 HE1 PHE 32 10.523 5.918 -10.258 227 HE2 PHE 32 HE2 PHE 32 12.922 6.870 -6.971 228 HZ PHE 32 HZ PHE 32 12.550 5.586 -8.986 229 H GLN 33 H GLN 33 7.852 9.241 -4.189 230 HA GLN 33 HA GLN 33 6.059 11.529 -4.490 231 HB2 GLN 33 1HB GLN 33 6.204 9.703 -2.305 232 HB3 GLN 33 2HB GLN 33 5.497 11.169 -2.173 233 HG2 GLN 33 1HG GLN 33 3.772 10.590 -3.543 234 HG3 GLN 33 2HG GLN 33 4.602 9.349 -4.204 235 HE21 GLN 33 1HE2 GLN 33 2.697 8.804 -0.673 236 HE22 GLN 33 2HE2 GLN 33 3.173 10.386 -1.193 237 H GLN 34 H GLN 34 7.240 13.408 -4.330 238 HA GLN 34 HA GLN 34 9.596 13.371 -2.660 239 HB2 GLN 34 1HB GLN 34 9.643 14.115 -5.455 240 HB3 GLN 34 2HB GLN 34 10.905 14.349 -4.444 241 HG2 GLN 34 1HG GLN 34 11.279 12.071 -4.284 242 HG3 GLN 34 2HG GLN 34 9.901 11.742 -5.097 243 HE21 GLN 34 1HE2 GLN 34 13.259 12.129 -7.059 244 HE22 GLN 34 2HE2 GLN 34 13.122 11.945 -5.343 245 H SER 35 H SER 35 10.645 15.665 -2.560 246 HA SER 35 HA SER 35 8.448 17.489 -2.351 247 HB2 SER 35 1HB SER 35 9.842 18.599 -0.586 248 HB3 SER 35 2HB SER 35 9.453 17.061 -0.198 249 HG SER 35 HG SER 35 11.431 16.365 -0.802 250 H CYS 36 H CYS 36 8.623 19.733 -2.772 251 HA CYS 36 HA CYS 36 10.895 20.539 -4.400 252 HB2 CYS 36 1HB CYS 36 8.215 20.937 -4.715 253 HB3 CYS 36 2HB CYS 36 9.015 22.360 -4.674 254 HA PRO 37 HA PRO 37 10.848 22.442 -0.454 255 HB2 PRO 37 1HB PRO 37 13.446 22.395 0.314 256 HB3 PRO 37 2HB PRO 37 12.627 20.983 0.261 257 HG2 PRO 37 1HG PRO 37 14.320 22.095 -1.758 258 HG3 PRO 37 2HG PRO 37 14.332 20.569 -1.177 259 HD2 PRO 37 1HD PRO 37 13.084 21.128 -3.410 260 HD3 PRO 37 2HD PRO 37 12.518 19.959 -2.420 261 H THR 38 H THR 38 13.417 23.847 -2.363 262 HA THR 38 HA THR 38 12.925 26.210 -0.845 263 HB THR 38 HB THR 38 15.264 25.751 -2.454 264 HG1 THR 38 HG1 THR 38 15.408 25.376 0.244 265 HG21 THR 38 1HG2 THR 38 16.322 27.364 -1.012 266 HG22 THR 38 2HG2 THR 38 14.946 27.536 -0.181 267 HG23 THR 38 3HG2 THR 38 15.033 28.042 -1.714 268 H GLY 39 H GLY 39 11.509 27.611 -1.678 269 HA2 GLY 39 1HA GLY 39 10.904 29.250 -3.116 270 HA3 GLY 39 2HA GLY 39 12.281 29.027 -3.966 271 H LEU 40 H LEU 40 10.983 26.147 -3.926 272 HA LEU 40 HA LEU 40 10.011 26.430 -6.586 273 HB2 LEU 40 1HB LEU 40 10.808 24.156 -4.993 274 HB3 LEU 40 2HB LEU 40 10.127 23.938 -6.461 275 HG LEU 40 HG LEU 40 12.573 25.408 -6.226 276 HD11 LEU 40 1HD1 LEU 40 13.789 23.377 -6.621 277 HD12 LEU 40 2HD1 LEU 40 12.414 22.531 -6.521 278 HD13 LEU 40 3HD1 LEU 40 12.999 23.280 -5.213 279 HD21 LEU 40 1HD2 LEU 40 12.864 24.733 -8.506 280 HD22 LEU 40 2HD2 LEU 40 11.460 25.518 -8.340 281 HD23 LEU 40 3HD2 LEU 40 11.477 23.905 -8.444 282 H VAL 41 H VAL 41 7.937 26.073 -7.285 283 HA VAL 41 HA VAL 41 6.110 24.928 -5.385 284 HB VAL 41 HB VAL 41 4.379 26.475 -6.125 285 HG11 VAL 41 1HG1 VAL 41 5.142 28.367 -4.823 286 HG12 VAL 41 2HG1 VAL 41 6.650 27.785 -4.867 287 HG13 VAL 41 3HG1 VAL 41 5.497 26.984 -4.065 288 HG21 VAL 41 1HG2 VAL 41 5.014 28.477 -7.352 289 HG22 VAL 41 2HG2 VAL 41 5.303 27.164 -8.250 290 HG23 VAL 41 3HG2 VAL 41 6.522 27.911 -7.495 291 H PHE 42 H PHE 42 4.371 23.652 -6.276 292 HA PHE 42 HA PHE 42 5.034 22.580 -8.785 293 HB2 PHE 42 1HB PHE 42 4.198 21.090 -7.172 294 HB3 PHE 42 2HB PHE 42 2.823 21.960 -7.026 295 HD1 PHE 42 HD1 PHE 42 4.618 20.413 -9.799 296 HD2 PHE 42 HD2 PHE 42 0.946 20.903 -7.920 297 HE1 PHE 42 HE1 PHE 42 3.552 19.161 -11.556 298 HE2 PHE 42 HE2 PHE 42 -0.114 19.602 -9.652 299 HZ PHE 42 HZ PHE 42 1.199 18.723 -11.470 300 H SER 43 H SER 43 4.036 22.875 -10.783 301 HA SER 43 HA SER 43 1.787 24.672 -10.782 302 HB2 SER 43 1HB SER 43 3.594 25.789 -11.803 303 HB3 SER 43 2HB SER 43 3.881 24.512 -12.781 304 HG SER 43 HG SER 43 2.791 25.750 -14.079 305 H ASN 44 H ASN 44 -0.073 23.692 -11.234 306 HA ASN 44 HA ASN 44 -0.123 21.162 -12.265 307 HB2 ASN 44 1HB ASN 44 -2.255 23.118 -11.955 308 HB3 ASN 44 2HB ASN 44 -2.602 21.619 -12.502 309 HD21 ASN 44 1HD2 ASN 44 -3.171 20.444 -9.350 310 HD22 ASN 44 2HD2 ASN 44 -3.628 20.472 -11.021 311 H SER 45 H SER 45 0.038 24.075 -13.962 312 HA SER 45 HA SER 45 -1.285 23.180 -16.260 313 HB2 SER 45 1HB SER 45 -0.316 25.225 -17.281 314 HB3 SER 45 2HB SER 45 -1.132 25.532 -15.900 315 HG SER 45 HG SER 45 1.508 24.970 -15.657 316 H CYS 46 H CYS 46 2.033 23.180 -15.268 317 HA CYS 46 HA CYS 46 2.775 22.152 -17.822 318 HB2 CYS 46 1HB CYS 46 5.021 22.652 -17.237 319 HB3 CYS 46 2HB CYS 46 4.063 23.967 -17.100 320 H LYS 47 H LYS 47 2.015 20.930 -14.932 321 HA LYS 47 HA LYS 47 2.421 18.966 -13.879 322 HB2 LYS 47 1HB LYS 47 2.959 18.111 -16.540 323 HB3 LYS 47 2HB LYS 47 3.260 17.077 -15.312 324 HG2 LYS 47 1HG LYS 47 1.122 16.645 -16.258 325 HG3 LYS 47 2HG LYS 47 0.963 17.117 -14.703 326 HD2 LYS 47 1HD LYS 47 0.316 19.228 -15.346 327 HD3 LYS 47 2HD LYS 47 0.656 18.903 -16.910 328 HE2 LYS 47 1HE LYS 47 -1.138 17.363 -16.983 329 HE3 LYS 47 2HE LYS 47 -1.473 17.674 -15.416 330 HZ1 LYS 47 1HZ LYS 47 -2.910 18.946 -16.826 331 HZ2 LYS 47 2HZ LYS 47 -1.625 19.630 -17.529 332 HZ3 LYS 47 3HZ LYS 47 -1.957 19.938 -15.977 333 H CYS 48 H CYS 48 4.271 20.982 -13.720 334 HA CYS 48 HA CYS 48 6.739 19.581 -13.301 335 HB2 CYS 48 1HB CYS 48 7.994 20.898 -14.533 336 HB3 CYS 48 2HB CYS 48 6.683 20.630 -15.470 337 H CYS 49 H CYS 49 8.332 20.918 -12.014 338 HA CYS 49 HA CYS 49 6.882 22.618 -10.149 339 HB2 CYS 49 1HB CYS 49 7.809 20.593 -9.314 340 HB3 CYS 49 2HB CYS 49 9.286 21.203 -9.651 341 H THR 50 H THR 50 7.704 24.746 -9.854 342 HA THR 50 HA THR 50 10.106 25.380 -11.262 343 HB THR 50 HB THR 50 8.353 25.818 -12.897 344 HG1 THR 50 HG1 THR 50 10.228 27.142 -12.821 345 HG21 THR 50 1HG2 THR 50 6.727 27.560 -12.478 346 HG22 THR 50 2HG2 THR 50 7.326 27.786 -10.994 347 HG23 THR 50 3HG2 THR 50 6.548 26.414 -11.351 348 H TRP 51 H TRP 51 11.013 27.542 -10.770 349 HA TRP 51 HA TRP 51 10.667 28.146 -8.048 350 HB2 TRP 51 1HB TRP 51 12.148 29.513 -10.107 351 HB3 TRP 51 2HB TRP 51 12.157 30.020 -8.555 352 HD1 TRP 51 HD1 TRP 51 13.393 28.398 -6.777 353 HE1 TRP 51 HE1 TRP 51 15.243 26.722 -6.948 354 HE3 TRP 51 HE3 TRP 51 13.233 27.820 -11.737 355 HZ2 TRP 51 HZ2 TRP 51 16.450 25.316 -9.080 356 HZ3 TRP 51 HZ3 TRP 51 14.769 26.253 -12.790 357 HH2 TRP 51 HH2 TRP 51 16.363 25.022 -11.448 358 H ASN 52 H ASN 52 9.462 29.780 -7.050 359 HA ASN 52 HA ASN 52 7.456 30.910 -8.617 360 HB2 ASN 52 1HB ASN 52 6.961 30.482 -6.355 361 HB3 ASN 52 2HB ASN 52 8.183 31.449 -5.865 362 HD21 ASN 52 1HD2 ASN 52 6.006 34.036 -5.351 363 HD22 ASN 52 2HD2 ASN 52 7.215 32.990 -4.685 364 H GLY 53 H GLY 53 7.459 32.759 -9.794 365 HA2 GLY 53 1HA GLY 53 9.628 34.592 -9.330 366 HA3 GLY 53 2HA GLY 53 8.788 34.453 -10.724 367 H LEU 54 H LEU 54 6.522 34.423 -8.403 368 HA LEU 54 HA LEU 54 6.048 37.230 -8.804 369 HB2 LEU 54 1HB LEU 54 4.321 35.638 -9.459 370 HB3 LEU 54 2HB LEU 54 4.094 35.322 -7.873 371 HG LEU 54 HG LEU 54 3.818 38.030 -8.633 372 HD11 LEU 54 1HD1 LEU 54 1.574 37.679 -9.483 373 HD12 LEU 54 2HD1 LEU 54 1.782 36.080 -9.357 374 HD13 LEU 54 3HD1 LEU 54 2.650 36.927 -10.427 375 HD21 LEU 54 1HD2 LEU 54 2.042 38.047 -7.029 376 HD22 LEU 54 2HD2 LEU 54 3.395 37.467 -6.360 377 HD23 LEU 54 3HD2 LEU 54 2.217 36.454 -6.809 378 H VAL 55 H VAL 55 6.542 38.661 -7.263 379 HA VAL 55 HA VAL 55 6.369 37.751 -4.520 380 HB VAL 55 HB VAL 55 7.947 39.975 -5.529 381 HG11 VAL 55 1HG1 VAL 55 8.877 40.171 -3.322 382 HG12 VAL 55 2HG1 VAL 55 7.883 39.011 -2.793 383 HG13 VAL 55 3HG1 VAL 55 7.283 40.433 -3.273 384 HG21 VAL 55 1HG2 VAL 55 9.867 38.573 -5.028 385 HG22 VAL 55 2HG2 VAL 55 8.919 37.832 -6.108 386 HG23 VAL 55 3HG2 VAL 55 8.877 37.386 -4.554 387 HA PRO 56 HA PRO 56 3.010 40.647 -4.505 388 HB2 PRO 56 1HB PRO 56 1.444 39.502 -2.736 389 HB3 PRO 56 2HB PRO 56 1.733 38.648 -4.098 390 HG2 PRO 56 1HG PRO 56 2.990 38.374 -1.557 391 HG3 PRO 56 2HG PRO 56 2.448 37.189 -2.540 392 HD2 PRO 56 1HD PRO 56 5.017 37.970 -2.466 393 HD3 PRO 56 2HD PRO 56 4.368 37.168 -3.732 394 H ARG 57 H ARG 57 5.468 40.899 -2.846 395 HA ARG 57 HA ARG 57 4.329 42.555 -0.780 396 HB2 ARG 57 1HB ARG 57 6.794 41.034 -0.627 397 HB3 ARG 57 2HB ARG 57 6.327 42.081 0.535 398 HG2 ARG 57 1HG ARG 57 4.919 39.680 -0.136 399 HG3 ARG 57 2HG ARG 57 5.903 39.846 1.157 400 HD2 ARG 57 1HD ARG 57 4.416 41.575 1.980 401 HD3 ARG 57 2HD ARG 57 3.394 41.211 0.760 402 HE ARG 57 HE ARG 57 3.921 38.890 2.172 403 HH11 ARG 57 1HH1 ARG 57 2.107 41.885 2.529 404 HH12 ARG 57 2HH1 ARG 57 0.981 41.174 3.636 405 HH21 ARG 57 1HH2 ARG 57 2.466 38.054 3.601 406 HH22 ARG 57 2HH2 ARG 57 1.183 39.030 4.236 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 4.581 -6.729 -13.905 2 H2 GLY 1 2H GLY 1 5.477 -6.129 -12.700 3 H3 GLY 1 3H GLY 1 5.651 -5.553 -14.201 4 HA2 GLY 1 1HA GLY 1 3.466 -4.671 -14.123 5 HA3 GLY 1 2HA GLY 1 3.291 -5.253 -12.607 6 H SER 2 H SER 2 2.702 -2.854 -12.369 7 HA SER 2 HA SER 2 4.974 -1.508 -11.239 8 HB2 SER 2 1HB SER 2 4.602 0.494 -12.509 9 HB3 SER 2 2HB SER 2 5.004 -0.728 -13.516 10 HG SER 2 HG SER 2 3.296 -0.162 -14.519 11 HA PRO 3 HA PRO 3 1.702 -0.507 -8.618 12 HB2 PRO 3 1HB PRO 3 2.149 1.951 -7.622 13 HB3 PRO 3 2HB PRO 3 3.141 0.728 -7.188 14 HG2 PRO 3 1HG PRO 3 3.520 2.621 -9.266 15 HG3 PRO 3 2HG PRO 3 4.563 2.215 -8.076 16 HD2 PRO 3 1HD PRO 3 4.848 1.127 -10.387 17 HD3 PRO 3 2HD PRO 3 5.070 0.206 -9.057 18 H THR 4 H THR 4 -0.328 0.201 -8.360 19 HA THR 4 HA THR 4 -1.466 0.890 -10.710 20 HB THR 4 HB THR 4 -3.190 1.425 -8.479 21 HG1 THR 4 HG1 THR 4 -1.801 0.333 -7.222 22 HG21 THR 4 1HG2 THR 4 -4.434 -0.438 -9.260 23 HG22 THR 4 2HG2 THR 4 -3.227 -0.859 -10.250 24 HG23 THR 4 3HG2 THR 4 -4.059 0.500 -10.523 25 H PHE 5 H PHE 5 -0.545 3.008 -8.248 26 HA PHE 5 HA PHE 5 -2.193 5.124 -8.799 27 HB2 PHE 5 1HB PHE 5 -0.692 4.866 -6.883 28 HB3 PHE 5 2HB PHE 5 0.559 5.233 -7.867 29 HD1 PHE 5 HD1 PHE 5 1.059 7.524 -8.474 30 HD2 PHE 5 HD2 PHE 5 -2.249 6.597 -6.129 31 HE1 PHE 5 HE1 PHE 5 0.905 9.834 -7.784 32 HE2 PHE 5 HE2 PHE 5 -2.480 8.920 -5.529 33 HZ PHE 5 HZ PHE 5 -0.897 10.544 -6.370 34 H CYS 6 H CYS 6 0.708 4.182 -10.392 35 HA CYS 6 HA CYS 6 0.472 6.489 -12.103 36 HB2 CYS 6 1HB CYS 6 2.705 4.821 -11.545 37 HB3 CYS 6 2HB CYS 6 2.728 5.870 -12.796 38 H GLN 7 H GLN 7 -0.677 3.541 -12.143 39 HA GLN 7 HA GLN 7 0.201 2.664 -14.666 40 HB2 GLN 7 1HB GLN 7 -1.589 1.695 -12.738 41 HB3 GLN 7 2HB GLN 7 -1.946 1.260 -14.271 42 HG2 GLN 7 1HG GLN 7 0.293 0.375 -14.446 43 HG3 GLN 7 2HG GLN 7 0.456 0.639 -12.842 44 HE21 GLN 7 1HE2 GLN 7 -1.205 -2.712 -14.122 45 HE22 GLN 7 2HE2 GLN 7 -0.342 -1.589 -15.118 46 H GLY 8 H GLY 8 -0.527 3.264 -16.671 47 HA2 GLY 8 1HA GLY 8 -1.997 4.128 -18.168 48 HA3 GLY 8 2HA GLY 8 -3.195 4.033 -17.063 49 H LYS 9 H LYS 9 -0.415 5.714 -16.149 50 HA LYS 9 HA LYS 9 -1.715 8.269 -16.586 51 HB2 LYS 9 1HB LYS 9 -0.058 7.510 -14.371 52 HB3 LYS 9 2HB LYS 9 -0.533 9.049 -14.644 53 HG2 LYS 9 1HG LYS 9 -2.250 6.857 -14.070 54 HG3 LYS 9 2HG LYS 9 -1.866 8.062 -13.035 55 HD2 LYS 9 1HD LYS 9 -3.032 9.613 -14.450 56 HD3 LYS 9 2HD LYS 9 -3.465 8.373 -15.421 57 HE2 LYS 9 1HE LYS 9 -4.640 7.397 -13.553 58 HE3 LYS 9 2HE LYS 9 -4.309 8.744 -12.692 59 HZ1 LYS 9 1HZ LYS 9 -6.491 8.909 -13.660 60 HZ2 LYS 9 2HZ LYS 9 -5.857 8.716 -15.135 61 HZ3 LYS 9 3HZ LYS 9 -5.530 10.050 -14.283 62 H ALA 10 H ALA 10 -0.487 9.990 -17.389 63 HA ALA 10 HA ALA 10 1.763 9.294 -18.887 64 HB1 ALA 10 1HB ALA 10 0.406 11.136 -19.552 65 HB2 ALA 10 2HB ALA 10 1.917 11.665 -19.327 66 HB3 ALA 10 3HB ALA 10 0.789 11.938 -18.201 67 H ASP 11 H ASP 11 3.986 9.773 -18.519 68 HA ASP 11 HA ASP 11 4.804 9.868 -15.845 69 HB2 ASP 11 1HB ASP 11 6.267 10.131 -18.297 70 HB3 ASP 11 2HB ASP 11 7.017 10.304 -16.856 71 H GLY 12 H GLY 12 5.797 11.645 -14.702 72 HA2 GLY 12 1HA GLY 12 6.291 14.106 -15.190 73 HA3 GLY 12 2HA GLY 12 4.706 14.167 -15.579 74 H LEU 13 H LEU 13 4.715 15.823 -13.777 75 HA LEU 13 HA LEU 13 4.717 14.517 -11.231 76 HB2 LEU 13 1HB LEU 13 4.803 17.349 -11.721 77 HB3 LEU 13 2HB LEU 13 4.978 16.651 -10.255 78 HG LEU 13 HG LEU 13 6.927 16.619 -12.362 79 HD11 LEU 13 1HD1 LEU 13 8.223 17.949 -10.772 80 HD12 LEU 13 2HD1 LEU 13 7.001 17.873 -9.716 81 HD13 LEU 13 3HD1 LEU 13 6.830 18.704 -11.092 82 HD21 LEU 13 1HD2 LEU 13 8.372 15.464 -10.887 83 HD22 LEU 13 2HD2 LEU 13 7.064 14.570 -11.213 84 HD23 LEU 13 3HD2 LEU 13 7.180 15.348 -9.800 85 H TYR 14 H TYR 14 3.020 14.745 -9.707 86 HA TYR 14 HA TYR 14 0.599 15.875 -10.782 87 HB2 TYR 14 1HB TYR 14 0.870 13.300 -9.487 88 HB3 TYR 14 2HB TYR 14 -0.591 14.003 -9.683 89 HD1 TYR 14 HD1 TYR 14 2.100 12.402 -11.401 90 HD2 TYR 14 HD2 TYR 14 -1.719 13.965 -11.846 91 HE1 TYR 14 HE1 TYR 14 1.955 11.410 -13.588 92 HE2 TYR 14 HE2 TYR 14 -1.878 12.954 -14.044 93 HH TYR 14 HH TYR 14 0.073 10.617 -15.196 94 HA PRO 15 HA PRO 15 0.473 17.801 -6.953 95 HB2 PRO 15 1HB PRO 15 -2.122 18.450 -6.573 96 HB3 PRO 15 2HB PRO 15 -1.288 19.216 -7.750 97 HG2 PRO 15 1HG PRO 15 -2.994 16.940 -8.018 98 HG3 PRO 15 2HG PRO 15 -2.985 18.293 -8.932 99 HD2 PRO 15 1HD PRO 15 -1.776 16.161 -9.778 100 HD3 PRO 15 2HD PRO 15 -1.141 17.631 -10.098 101 H ASN 16 H ASN 16 0.600 17.463 -4.884 102 HA ASN 16 HA ASN 16 -0.657 15.088 -3.807 103 HB2 ASN 16 1HB ASN 16 1.626 15.556 -3.300 104 HB3 ASN 16 2HB ASN 16 1.154 16.917 -2.530 105 HD21 ASN 16 1HD2 ASN 16 1.363 13.591 -0.528 106 HD22 ASN 16 2HD2 ASN 16 2.143 13.930 -2.037 107 HA PRO 17 HA PRO 17 -3.812 17.832 -2.598 108 HB2 PRO 17 1HB PRO 17 -5.380 16.333 -1.018 109 HB3 PRO 17 2HB PRO 17 -5.314 15.976 -2.610 110 HG2 PRO 17 1HG PRO 17 -3.780 14.798 -0.504 111 HG3 PRO 17 2HG PRO 17 -4.669 14.025 -1.635 112 HD2 PRO 17 1HD PRO 17 -2.134 14.298 -2.018 113 HD3 PRO 17 2HD PRO 17 -3.144 14.462 -3.291 114 H ARG 18 H ARG 18 -1.857 16.490 -0.249 115 HA ARG 18 HA ARG 18 -2.847 18.263 1.770 116 HB2 ARG 18 1HB ARG 18 -2.339 15.879 2.249 117 HB3 ARG 18 2HB ARG 18 -0.760 16.262 2.089 118 HG2 ARG 18 1HG ARG 18 -1.098 17.824 3.969 119 HG3 ARG 18 2HG ARG 18 -2.523 17.064 4.215 120 HD2 ARG 18 1HD ARG 18 -1.332 14.998 4.446 121 HD3 ARG 18 2HD ARG 18 0.070 15.826 4.319 122 HE ARG 18 HE ARG 18 -1.466 16.897 6.387 123 HH11 ARG 18 1HH1 ARG 18 -0.925 16.523 8.515 124 HH12 ARG 18 2HH1 ARG 18 0.155 15.234 8.931 125 HH21 ARG 18 1HH2 ARG 18 0.631 14.167 5.688 126 HH22 ARG 18 2HH2 ARG 18 1.021 13.922 7.357 127 H GLU 19 H GLU 19 -0.076 17.707 -0.142 128 HA GLU 19 HA GLU 19 1.483 19.507 1.393 129 HB2 GLU 19 1HB GLU 19 2.214 17.963 -0.954 130 HB3 GLU 19 2HB GLU 19 3.298 18.812 -0.075 131 HG2 GLU 19 1HG GLU 19 1.833 16.541 0.919 132 HG3 GLU 19 2HG GLU 19 3.397 16.496 0.452 133 H ARG 20 H ARG 20 2.836 21.236 0.522 134 HA ARG 20 HA ARG 20 1.419 22.674 -1.538 135 HB2 ARG 20 1HB ARG 20 1.628 24.007 0.342 136 HB3 ARG 20 2HB ARG 20 3.170 23.532 0.591 137 HG2 ARG 20 1HG ARG 20 3.196 25.770 -0.004 138 HG3 ARG 20 2HG ARG 20 3.849 24.920 -1.236 139 HD2 ARG 20 1HD ARG 20 1.935 25.188 -2.527 140 HD3 ARG 20 2HD ARG 20 1.108 25.809 -1.263 141 HE ARG 20 HE ARG 20 3.109 27.545 -1.479 142 HH11 ARG 20 1HH1 ARG 20 0.807 26.350 -3.867 143 HH12 ARG 20 2HH1 ARG 20 0.888 27.811 -4.794 144 HH21 ARG 20 1HH2 ARG 20 3.154 29.372 -2.725 145 HH22 ARG 20 2HH2 ARG 20 2.190 29.485 -4.160 146 H SER 21 H SER 21 4.638 21.659 -0.755 147 HA SER 21 HA SER 21 5.408 22.384 -3.431 148 HB2 SER 21 1HB SER 21 7.172 22.177 -1.113 149 HB3 SER 21 2HB SER 21 7.686 22.623 -2.597 150 HG SER 21 HG SER 21 7.306 24.531 -1.969 151 H SER 22 H SER 22 5.294 19.801 -1.228 152 HA SER 22 HA SER 22 6.901 18.072 -2.776 153 HB2 SER 22 1HB SER 22 5.034 17.279 -0.719 154 HB3 SER 22 2HB SER 22 6.331 16.423 -1.222 155 HG SER 22 HG SER 22 6.773 18.922 -0.254 156 H PHE 23 H PHE 23 6.176 16.205 -3.994 157 HA PHE 23 HA PHE 23 3.511 16.477 -4.978 158 HB2 PHE 23 1HB PHE 23 4.429 16.429 -7.305 159 HB3 PHE 23 2HB PHE 23 4.699 17.829 -6.509 160 HD1 PHE 23 HD1 PHE 23 6.825 18.718 -6.464 161 HD2 PHE 23 HD2 PHE 23 6.361 14.654 -7.224 162 HE1 PHE 23 HE1 PHE 23 9.200 18.531 -6.855 163 HE2 PHE 23 HE2 PHE 23 8.732 14.456 -7.650 164 HZ PHE 23 HZ PHE 23 10.168 16.395 -7.448 165 H TYR 24 H TYR 24 2.914 14.797 -6.636 166 HA TYR 24 HA TYR 24 4.107 12.248 -6.005 167 HB2 TYR 24 1HB TYR 24 1.731 12.936 -7.459 168 HB3 TYR 24 2HB TYR 24 2.301 11.407 -7.406 169 HD1 TYR 24 HD1 TYR 24 2.559 10.392 -5.012 170 HD2 TYR 24 HD2 TYR 24 0.062 13.568 -5.940 171 HE1 TYR 24 HE1 TYR 24 1.287 9.964 -3.015 172 HE2 TYR 24 HE2 TYR 24 -1.254 13.090 -3.973 173 HH TYR 24 HH TYR 24 -1.737 11.188 -2.408 174 H SER 25 H SER 25 5.014 10.991 -7.822 175 HA SER 25 HA SER 25 5.304 12.396 -10.307 176 HB2 SER 25 1HB SER 25 7.285 12.989 -9.143 177 HB3 SER 25 2HB SER 25 7.560 11.427 -8.756 178 HG SER 25 HG SER 25 8.877 11.844 -10.399 179 H CYS 26 H CYS 26 5.500 11.094 -12.111 180 HA CYS 26 HA CYS 26 5.521 8.247 -11.595 181 HB2 CYS 26 1HB CYS 26 4.004 9.596 -13.590 182 HB3 CYS 26 2HB CYS 26 4.151 7.971 -13.503 183 H ALA 27 H ALA 27 7.020 7.084 -12.763 184 HA ALA 27 HA ALA 27 8.089 8.223 -15.165 185 HB1 ALA 27 1HB ALA 27 9.652 9.005 -13.543 186 HB2 ALA 27 2HB ALA 27 10.378 7.893 -14.465 187 HB3 ALA 27 3HB ALA 27 9.860 7.502 -12.984 188 H ALA 28 H ALA 28 7.946 6.614 -16.687 189 HA ALA 28 HA ALA 28 7.575 4.585 -17.494 190 HB1 ALA 28 1HB ALA 28 9.942 4.265 -17.080 191 HB2 ALA 28 2HB ALA 28 9.179 2.846 -16.950 192 HB3 ALA 28 3HB ALA 28 9.612 3.655 -15.619 193 H GLY 29 H GLY 29 5.784 5.420 -15.511 194 HA2 GLY 29 1HA GLY 29 3.954 4.496 -14.558 195 HA3 GLY 29 2HA GLY 29 4.452 3.004 -14.997 196 H ARG 30 H ARG 30 6.927 4.323 -13.322 197 HA ARG 30 HA ARG 30 6.258 2.844 -10.962 198 HB2 ARG 30 1HB ARG 30 8.694 4.293 -11.457 199 HB3 ARG 30 2HB ARG 30 8.468 3.187 -10.277 200 HG2 ARG 30 1HG ARG 30 8.619 2.603 -13.097 201 HG3 ARG 30 2HG ARG 30 9.767 2.238 -11.994 202 HD2 ARG 30 1HD ARG 30 8.273 0.674 -10.977 203 HD3 ARG 30 2HD ARG 30 7.153 1.020 -12.114 204 HE ARG 30 HE ARG 30 8.316 -0.143 -13.720 205 HH11 ARG 30 1HH1 ARG 30 10.043 -0.178 -10.644 206 HH12 ARG 30 2HH1 ARG 30 11.116 -1.429 -11.176 207 HH21 ARG 30 1HH2 ARG 30 9.737 -1.716 -14.308 208 HH22 ARG 30 2HH2 ARG 30 10.945 -2.277 -13.200 209 H LEU 31 H LEU 31 5.969 3.793 -8.872 210 HA LEU 31 HA LEU 31 5.204 6.526 -9.017 211 HB2 LEU 31 1HB LEU 31 4.170 4.522 -7.680 212 HB3 LEU 31 2HB LEU 31 5.069 5.206 -6.501 213 HG LEU 31 HG LEU 31 2.799 6.347 -7.802 214 HD11 LEU 31 1HD1 LEU 31 1.912 6.350 -5.483 215 HD12 LEU 31 2HD1 LEU 31 3.312 5.724 -4.968 216 HD13 LEU 31 3HD1 LEU 31 2.330 4.847 -5.907 217 HD21 LEU 31 1HD2 LEU 31 2.959 8.309 -6.506 218 HD22 LEU 31 2HD2 LEU 31 4.207 8.171 -7.525 219 HD23 LEU 31 3HD2 LEU 31 4.403 7.829 -5.957 220 H PHE 32 H PHE 32 6.328 8.252 -8.258 221 HA PHE 32 HA PHE 32 8.284 7.719 -6.187 222 HB2 PHE 32 1HB PHE 32 8.561 9.627 -8.320 223 HB3 PHE 32 2HB PHE 32 9.541 9.611 -7.014 224 HD1 PHE 32 HD1 PHE 32 8.572 7.685 -9.885 225 HD2 PHE 32 HD2 PHE 32 11.409 8.142 -6.885 226 HE1 PHE 32 HE1 PHE 32 9.991 6.085 -11.002 227 HE2 PHE 32 HE2 PHE 32 12.840 6.535 -7.974 228 HZ PHE 32 HZ PHE 32 12.150 5.522 -10.053 229 H GLN 33 H GLN 33 8.063 9.017 -4.325 230 HA GLN 33 HA GLN 33 6.147 11.231 -4.489 231 HB2 GLN 33 1HB GLN 33 6.537 9.530 -2.242 232 HB3 GLN 33 2HB GLN 33 5.552 10.832 -2.287 233 HG2 GLN 33 1HG GLN 33 4.225 9.721 -3.970 234 HG3 GLN 33 2HG GLN 33 5.172 8.401 -3.808 235 HE21 GLN 33 1HE2 GLN 33 3.249 7.009 -1.331 236 HE22 GLN 33 2HE2 GLN 33 4.305 6.780 -2.684 237 H GLN 34 H GLN 34 7.303 13.150 -4.306 238 HA GLN 34 HA GLN 34 9.744 13.052 -2.812 239 HB2 GLN 34 1HB GLN 34 9.629 13.956 -5.572 240 HB3 GLN 34 2HB GLN 34 10.971 14.054 -4.646 241 HG2 GLN 34 1HG GLN 34 11.185 11.722 -4.649 242 HG3 GLN 34 2HG GLN 34 9.785 11.570 -5.476 243 HE21 GLN 34 1HE2 GLN 34 13.136 11.822 -7.457 244 HE22 GLN 34 2HE2 GLN 34 12.995 11.478 -5.766 245 H SER 35 H SER 35 10.811 15.219 -2.537 246 HA SER 35 HA SER 35 8.733 17.181 -2.304 247 HB2 SER 35 1HB SER 35 10.146 18.146 -0.516 248 HB3 SER 35 2HB SER 35 9.689 16.616 -0.174 249 HG SER 35 HG SER 35 11.816 16.717 0.223 250 H CYS 36 H CYS 36 9.080 19.396 -2.759 251 HA CYS 36 HA CYS 36 11.435 19.939 -4.392 252 HB2 CYS 36 1HB CYS 36 8.985 20.249 -5.104 253 HB3 CYS 36 2HB CYS 36 9.347 21.736 -4.534 254 HA PRO 37 HA PRO 37 11.635 21.880 -0.461 255 HB2 PRO 37 1HB PRO 37 14.255 21.765 0.117 256 HB3 PRO 37 2HB PRO 37 13.431 20.359 0.015 257 HG2 PRO 37 1HG PRO 37 15.007 21.605 -2.030 258 HG3 PRO 37 2HG PRO 37 15.064 20.047 -1.544 259 HD2 PRO 37 1HD PRO 37 13.686 20.741 -3.641 260 HD3 PRO 37 2HD PRO 37 13.205 19.496 -2.700 261 H THR 38 H THR 38 14.673 23.291 -1.375 262 HA THR 38 HA THR 38 13.751 25.558 -0.098 263 HB THR 38 HB THR 38 16.087 26.325 -1.169 264 HG1 THR 38 HG1 THR 38 15.907 23.585 -1.362 265 HG21 THR 38 1HG2 THR 38 17.186 25.444 0.781 266 HG22 THR 38 2HG2 THR 38 15.924 24.476 1.074 267 HG23 THR 38 3HG2 THR 38 15.768 26.078 1.231 268 H GLY 39 H GLY 39 12.456 27.077 -0.787 269 HA2 GLY 39 1HA GLY 39 11.984 28.894 -2.029 270 HA3 GLY 39 2HA GLY 39 13.276 28.605 -2.985 271 H LEU 40 H LEU 40 11.231 25.988 -2.868 272 HA LEU 40 HA LEU 40 10.153 26.727 -5.432 273 HB2 LEU 40 1HB LEU 40 11.193 24.138 -4.633 274 HB3 LEU 40 2HB LEU 40 10.497 24.404 -6.086 275 HG LEU 40 HG LEU 40 12.916 25.739 -5.322 276 HD11 LEU 40 1HD1 LEU 40 14.135 24.062 -6.557 277 HD12 LEU 40 2HD1 LEU 40 12.765 23.237 -6.792 278 HD13 LEU 40 3HD1 LEU 40 13.377 23.380 -5.302 279 HD21 LEU 40 1HD2 LEU 40 13.171 26.088 -7.682 280 HD22 LEU 40 2HD2 LEU 40 11.775 26.726 -7.172 281 HD23 LEU 40 3HD2 LEU 40 11.780 25.308 -7.950 282 H VAL 41 H VAL 41 8.212 25.761 -6.191 283 HA VAL 41 HA VAL 41 6.594 24.556 -4.150 284 HB VAL 41 HB VAL 41 4.682 25.965 -4.791 285 HG11 VAL 41 1HG1 VAL 41 5.334 27.904 -3.510 286 HG12 VAL 41 2HG1 VAL 41 6.884 27.459 -3.625 287 HG13 VAL 41 3HG1 VAL 41 5.844 26.555 -2.779 288 HG21 VAL 41 1HG2 VAL 41 5.077 28.013 -6.005 289 HG22 VAL 41 2HG2 VAL 41 5.431 26.738 -6.935 290 HG23 VAL 41 3HG2 VAL 41 6.618 27.583 -6.234 291 H PHE 42 H PHE 42 4.654 23.337 -5.129 292 HA PHE 42 HA PHE 42 5.407 22.422 -7.698 293 HB2 PHE 42 1HB PHE 42 4.623 20.770 -6.250 294 HB3 PHE 42 2HB PHE 42 3.211 21.563 -6.045 295 HD1 PHE 42 HD1 PHE 42 5.159 20.137 -8.759 296 HD2 PHE 42 HD2 PHE 42 1.344 20.790 -7.249 297 HE1 PHE 42 HE1 PHE 42 4.222 19.021 -10.658 298 HE2 PHE 42 HE2 PHE 42 0.396 19.628 -9.150 299 HZ PHE 42 HZ PHE 42 1.846 18.735 -10.855 300 H SER 43 H SER 43 4.274 22.763 -9.663 301 HA SER 43 HA SER 43 1.979 24.489 -9.502 302 HB2 SER 43 1HB SER 43 3.809 25.791 -10.338 303 HB3 SER 43 2HB SER 43 4.059 24.700 -11.527 304 HG SER 43 HG SER 43 2.037 25.185 -12.365 305 H ASN 44 H ASN 44 0.231 23.313 -9.959 306 HA ASN 44 HA ASN 44 0.377 21.018 -11.475 307 HB2 ASN 44 1HB ASN 44 -1.389 21.449 -9.842 308 HB3 ASN 44 2HB ASN 44 -2.016 22.579 -10.841 309 HD21 ASN 44 1HD2 ASN 44 -4.228 20.344 -12.178 310 HD22 ASN 44 2HD2 ASN 44 -3.926 21.926 -11.540 311 H SER 45 H SER 45 -0.099 24.236 -12.468 312 HA SER 45 HA SER 45 -1.447 23.738 -14.817 313 HB2 SER 45 1HB SER 45 -0.599 26.025 -15.448 314 HB3 SER 45 2HB SER 45 -1.392 25.977 -14.021 315 HG SER 45 HG SER 45 0.375 26.254 -12.933 316 H CYS 46 H CYS 46 1.921 23.578 -14.139 317 HA CYS 46 HA CYS 46 2.440 23.001 -16.907 318 HB2 CYS 46 1HB CYS 46 4.717 23.379 -16.415 319 HB3 CYS 46 2HB CYS 46 3.791 24.680 -16.069 320 H LYS 47 H LYS 47 1.723 21.402 -14.235 321 HA LYS 47 HA LYS 47 2.238 19.439 -13.320 322 HB2 LYS 47 1HB LYS 47 3.082 18.579 -15.951 323 HB3 LYS 47 2HB LYS 47 2.750 17.558 -14.720 324 HG2 LYS 47 1HG LYS 47 0.789 19.247 -15.956 325 HG3 LYS 47 2HG LYS 47 0.985 17.665 -16.311 326 HD2 LYS 47 1HD LYS 47 0.455 17.119 -14.053 327 HD3 LYS 47 2HD LYS 47 0.195 18.702 -13.749 328 HE2 LYS 47 1HE LYS 47 -1.585 18.714 -15.298 329 HE3 LYS 47 2HE LYS 47 -1.318 17.136 -15.624 330 HZ1 LYS 47 1HZ LYS 47 -3.077 17.358 -14.044 331 HZ2 LYS 47 2HZ LYS 47 -2.087 18.156 -13.045 332 HZ3 LYS 47 3HZ LYS 47 -1.823 16.594 -13.368 333 H CYS 48 H CYS 48 4.158 21.369 -12.982 334 HA CYS 48 HA CYS 48 6.581 19.868 -12.847 335 HB2 CYS 48 1HB CYS 48 7.836 21.303 -14.001 336 HB3 CYS 48 2HB CYS 48 6.495 21.090 -14.910 337 H CYS 49 H CYS 49 8.335 21.018 -11.568 338 HA CYS 49 HA CYS 49 7.083 22.420 -9.383 339 HB2 CYS 49 1HB CYS 49 8.472 20.664 -8.834 340 HB3 CYS 49 2HB CYS 49 9.715 21.391 -9.605 341 H THR 50 H THR 50 7.589 24.609 -8.892 342 HA THR 50 HA THR 50 9.385 25.838 -10.703 343 HB THR 50 HB THR 50 7.766 27.730 -11.108 344 HG1 THR 50 HG1 THR 50 5.538 27.040 -10.421 345 HG21 THR 50 1HG2 THR 50 6.213 26.616 -12.477 346 HG22 THR 50 2HG2 THR 50 6.584 25.202 -11.786 347 HG23 THR 50 3HG2 THR 50 7.676 25.964 -12.703 348 H TRP 51 H TRP 51 9.951 28.147 -10.166 349 HA TRP 51 HA TRP 51 10.382 28.638 -7.466 350 HB2 TRP 51 1HB TRP 51 10.350 30.390 -9.749 351 HB3 TRP 51 2HB TRP 51 10.737 30.938 -8.260 352 HD1 TRP 51 HD1 TRP 51 12.098 28.460 -10.747 353 HE1 TRP 51 HE1 TRP 51 14.580 28.191 -10.560 354 HE3 TRP 51 HE3 TRP 51 12.739 31.448 -6.786 355 HZ2 TRP 51 HZ2 TRP 51 16.551 29.249 -8.842 356 HZ3 TRP 51 HZ3 TRP 51 14.981 31.783 -5.922 357 HH2 TRP 51 HH2 TRP 51 16.863 30.687 -6.965 358 H ASN 52 H ASN 52 9.274 30.458 -6.178 359 HA ASN 52 HA ASN 52 6.553 30.240 -6.162 360 HB2 ASN 52 1HB ASN 52 7.933 31.275 -4.417 361 HB3 ASN 52 2HB ASN 52 7.924 32.640 -5.315 362 HD21 ASN 52 1HD2 ASN 52 5.352 33.433 -3.047 363 HD22 ASN 52 2HD2 ASN 52 7.066 33.536 -3.274 364 H GLY 53 H GLY 53 4.846 31.139 -7.300 365 HA2 GLY 53 1HA GLY 53 5.588 32.066 -9.833 366 HA3 GLY 53 2HA GLY 53 4.075 31.721 -9.326 367 H LEU 54 H LEU 54 6.292 34.225 -8.309 368 HA LEU 54 HA LEU 54 4.335 36.247 -8.545 369 HB2 LEU 54 1HB LEU 54 6.173 36.320 -7.005 370 HB3 LEU 54 2HB LEU 54 7.162 36.608 -8.272 371 HG LEU 54 HG LEU 54 5.029 38.435 -7.920 372 HD11 LEU 54 1HD1 LEU 54 6.234 39.655 -6.206 373 HD12 LEU 54 2HD1 LEU 54 7.344 38.480 -6.154 374 HD13 LEU 54 3HD1 LEU 54 5.833 38.187 -5.658 375 HD21 LEU 54 1HD2 LEU 54 6.610 40.045 -8.657 376 HD22 LEU 54 2HD2 LEU 54 6.520 38.819 -9.707 377 HD23 LEU 54 3HD2 LEU 54 7.764 38.912 -8.678 378 H VAL 55 H VAL 55 3.682 37.299 -10.377 379 HA VAL 55 HA VAL 55 4.971 36.648 -12.787 380 HB VAL 55 HB VAL 55 2.776 38.527 -12.410 381 HG11 VAL 55 1HG1 VAL 55 2.328 38.283 -14.751 382 HG12 VAL 55 2HG1 VAL 55 3.625 37.331 -14.906 383 HG13 VAL 55 3HG1 VAL 55 3.809 38.893 -14.533 384 HG21 VAL 55 1HG2 VAL 55 1.326 36.717 -13.085 385 HG22 VAL 55 2HG2 VAL 55 2.137 36.299 -11.749 386 HG23 VAL 55 3HG2 VAL 55 2.602 35.730 -13.190 387 HA PRO 56 HA PRO 56 7.427 40.255 -12.425 388 HB2 PRO 56 1HB PRO 56 9.571 39.575 -13.826 389 HB3 PRO 56 2HB PRO 56 9.230 38.639 -12.532 390 HG2 PRO 56 1HG PRO 56 8.531 38.146 -15.275 391 HG3 PRO 56 2HG PRO 56 9.203 37.095 -14.220 392 HD2 PRO 56 1HD PRO 56 6.598 37.158 -14.690 393 HD3 PRO 56 2HD PRO 56 7.217 36.594 -13.288 394 H ARG 57 H ARG 57 5.560 39.833 -14.847 395 HA ARG 57 HA ARG 57 6.426 42.189 -16.224 396 HB2 ARG 57 1HB ARG 57 6.407 41.177 -18.386 397 HB3 ARG 57 2HB ARG 57 7.568 40.510 -17.451 398 HG2 ARG 57 1HG ARG 57 6.249 38.612 -17.102 399 HG3 ARG 57 2HG ARG 57 5.011 39.288 -17.923 400 HD2 ARG 57 1HD ARG 57 6.455 39.323 -19.888 401 HD3 ARG 57 2HD ARG 57 7.523 38.425 -19.040 402 HE ARG 57 HE ARG 57 6.255 36.547 -19.305 403 HH11 ARG 57 1HH1 ARG 57 4.636 35.392 -20.311 404 HH12 ARG 57 2HH1 ARG 57 3.304 36.211 -21.055 405 HH21 ARG 57 1HH2 ARG 57 4.428 39.379 -20.337 406 HH22 ARG 57 2HH2 ARG 57 3.187 38.419 -21.070 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 2.518 -5.883 -5.444 2 H2 GLY 1 2H GLY 1 1.578 -4.570 -5.350 3 H3 GLY 1 3H GLY 1 3.102 -4.515 -4.810 4 HA2 GLY 1 1HA GLY 1 3.902 -4.799 -7.015 5 HA3 GLY 1 2HA GLY 1 2.364 -4.854 -7.561 6 H SER 2 H SER 2 3.374 -3.026 -8.978 7 HA SER 2 HA SER 2 3.734 -0.549 -7.739 8 HB2 SER 2 1HB SER 2 4.512 -0.933 -9.987 9 HB3 SER 2 2HB SER 2 2.965 -0.985 -10.507 10 HG SER 2 HG SER 2 3.518 1.010 -10.926 11 HA PRO 3 HA PRO 3 -0.502 0.191 -7.056 12 HB2 PRO 3 1HB PRO 3 -0.657 2.797 -6.539 13 HB3 PRO 3 2HB PRO 3 0.101 1.837 -5.457 14 HG2 PRO 3 1HG PRO 3 1.289 3.398 -7.534 15 HG3 PRO 3 2HG PRO 3 1.719 3.343 -5.960 16 HD2 PRO 3 1HD PRO 3 3.017 1.917 -7.704 17 HD3 PRO 3 2HD PRO 3 2.771 1.330 -6.200 18 H THR 4 H THR 4 -2.459 0.838 -7.934 19 HA THR 4 HA THR 4 -2.322 1.249 -10.677 20 HB THR 4 HB THR 4 -4.816 1.532 -10.446 21 HG1 THR 4 HG1 THR 4 -5.682 1.494 -8.506 22 HG21 THR 4 1HG2 THR 4 -5.173 -0.770 -9.837 23 HG22 THR 4 2HG2 THR 4 -3.686 -0.851 -9.207 24 HG23 THR 4 3HG2 THR 4 -3.879 -0.692 -10.805 25 H PHE 5 H PHE 5 -2.128 3.313 -8.146 26 HA PHE 5 HA PHE 5 -3.284 5.624 -8.989 27 HB2 PHE 5 1HB PHE 5 -2.282 5.259 -6.811 28 HB3 PHE 5 2HB PHE 5 -0.801 5.274 -7.499 29 HD1 PHE 5 HD1 PHE 5 0.313 7.342 -8.046 30 HD2 PHE 5 HD2 PHE 5 -3.527 7.355 -6.456 31 HE1 PHE 5 HE1 PHE 5 0.554 9.679 -7.516 32 HE2 PHE 5 HE2 PHE 5 -3.314 9.708 -5.957 33 HZ PHE 5 HZ PHE 5 -1.260 10.864 -6.474 34 H CYS 6 H CYS 6 -0.232 4.337 -9.971 35 HA CYS 6 HA CYS 6 0.184 6.654 -11.631 36 HB2 CYS 6 1HB CYS 6 1.872 6.056 -10.046 37 HB3 CYS 6 2HB CYS 6 2.097 4.665 -10.873 38 H GLN 7 H GLN 7 -0.818 3.528 -11.868 39 HA GLN 7 HA GLN 7 0.276 2.889 -14.364 40 HB2 GLN 7 1HB GLN 7 -1.827 1.847 -12.761 41 HB3 GLN 7 2HB GLN 7 -1.599 1.268 -14.271 42 HG2 GLN 7 1HG GLN 7 0.590 0.571 -13.675 43 HG3 GLN 7 2HG GLN 7 0.364 1.153 -12.165 44 HE21 GLN 7 1HE2 GLN 7 -0.862 -1.799 -10.945 45 HE22 GLN 7 2HE2 GLN 7 -0.007 -0.320 -10.660 46 H GLY 8 H GLY 8 -0.306 3.527 -16.388 47 HA2 GLY 8 1HA GLY 8 -1.757 4.313 -17.968 48 HA3 GLY 8 2HA GLY 8 -2.973 4.348 -16.878 49 H LYS 9 H LYS 9 -0.417 5.933 -15.573 50 HA LYS 9 HA LYS 9 -1.552 8.477 -16.228 51 HB2 LYS 9 1HB LYS 9 0.425 7.837 -14.271 52 HB3 LYS 9 2HB LYS 9 -0.138 9.349 -14.527 53 HG2 LYS 9 1HG LYS 9 -1.641 7.123 -13.604 54 HG3 LYS 9 2HG LYS 9 -1.222 8.434 -12.725 55 HD2 LYS 9 1HD LYS 9 -2.676 9.764 -14.125 56 HD3 LYS 9 2HD LYS 9 -3.172 8.387 -14.849 57 HE2 LYS 9 1HE LYS 9 -3.934 7.580 -12.724 58 HE3 LYS 9 2HE LYS 9 -3.507 9.006 -12.053 59 HZ1 LYS 9 1HZ LYS 9 -5.832 8.986 -12.518 60 HZ2 LYS 9 2HZ LYS 9 -5.527 8.705 -14.081 61 HZ3 LYS 9 3HZ LYS 9 -5.105 10.117 -13.416 62 H ALA 10 H ALA 10 -0.462 10.152 -17.328 63 HA ALA 10 HA ALA 10 1.805 9.452 -18.839 64 HB1 ALA 10 1HB ALA 10 0.381 11.162 -19.658 65 HB2 ALA 10 2HB ALA 10 1.852 11.796 -19.435 66 HB3 ALA 10 3HB ALA 10 0.678 12.077 -18.359 67 H ASP 11 H ASP 11 4.033 10.016 -18.392 68 HA ASP 11 HA ASP 11 4.725 10.247 -15.713 69 HB2 ASP 11 1HB ASP 11 6.260 10.537 -18.107 70 HB3 ASP 11 2HB ASP 11 6.948 10.880 -16.666 71 H GLY 12 H GLY 12 5.487 12.073 -14.486 72 HA2 GLY 12 1HA GLY 12 5.881 14.568 -14.987 73 HA3 GLY 12 2HA GLY 12 4.307 14.526 -15.421 74 H LEU 13 H LEU 13 4.475 16.278 -13.562 75 HA LEU 13 HA LEU 13 4.331 14.922 -11.062 76 HB2 LEU 13 1HB LEU 13 4.531 17.771 -11.528 77 HB3 LEU 13 2HB LEU 13 4.601 17.091 -10.044 78 HG LEU 13 HG LEU 13 6.644 16.976 -12.052 79 HD11 LEU 13 1HD1 LEU 13 7.910 18.188 -10.361 80 HD12 LEU 13 2HD1 LEU 13 6.630 18.137 -9.374 81 HD13 LEU 13 3HD1 LEU 13 6.570 19.014 -10.731 82 HD21 LEU 13 1HD2 LEU 13 7.970 15.709 -10.577 83 HD22 LEU 13 2HD2 LEU 13 6.643 14.886 -10.996 84 HD23 LEU 13 3HD2 LEU 13 6.730 15.595 -9.545 85 H TYR 14 H TYR 14 2.663 14.945 -9.609 86 HA TYR 14 HA TYR 14 0.214 16.236 -10.480 87 HB2 TYR 14 1HB TYR 14 0.457 13.598 -9.324 88 HB3 TYR 14 2HB TYR 14 -0.978 14.333 -9.581 89 HD1 TYR 14 HD1 TYR 14 1.809 12.816 -11.207 90 HD2 TYR 14 HD2 TYR 14 -1.998 14.350 -11.800 91 HE1 TYR 14 HE1 TYR 14 1.805 11.905 -13.443 92 HE2 TYR 14 HE2 TYR 14 -2.027 13.410 -14.037 93 HH TYR 14 HH TYR 14 -0.112 11.112 -15.151 94 HA PRO 15 HA PRO 15 0.483 17.990 -6.556 95 HB2 PRO 15 1HB PRO 15 -2.018 18.798 -5.988 96 HB3 PRO 15 2HB PRO 15 -1.196 19.555 -7.180 97 HG2 PRO 15 1HG PRO 15 -3.078 17.425 -7.443 98 HG3 PRO 15 2HG PRO 15 -3.034 18.827 -8.280 99 HD2 PRO 15 1HD PRO 15 -2.029 16.686 -9.336 100 HD3 PRO 15 2HD PRO 15 -1.293 18.122 -9.589 101 H ASN 16 H ASN 16 0.403 17.768 -4.362 102 HA ASN 16 HA ASN 16 -0.686 15.235 -3.582 103 HB2 ASN 16 1HB ASN 16 1.659 15.807 -3.113 104 HB3 ASN 16 2HB ASN 16 1.106 16.889 -2.022 105 HD21 ASN 16 1HD2 ASN 16 1.564 13.109 -1.019 106 HD22 ASN 16 2HD2 ASN 16 2.117 13.802 -2.507 107 HA PRO 17 HA PRO 17 -3.740 17.460 -1.454 108 HB2 PRO 17 1HB PRO 17 -5.210 15.530 -0.330 109 HB3 PRO 17 2HB PRO 17 -5.185 15.599 -1.961 110 HG2 PRO 17 1HG PRO 17 -3.548 13.975 -0.267 111 HG3 PRO 17 2HG PRO 17 -4.435 13.489 -1.549 112 HD2 PRO 17 1HD PRO 17 -1.895 13.983 -1.836 113 HD3 PRO 17 2HD PRO 17 -2.934 14.324 -3.049 114 H ARG 18 H ARG 18 -1.585 15.568 0.277 115 HA ARG 18 HA ARG 18 -2.611 16.421 2.779 116 HB2 ARG 18 1HB ARG 18 -1.612 14.175 2.395 117 HB3 ARG 18 2HB ARG 18 -0.156 14.915 2.376 118 HG2 ARG 18 1HG ARG 18 -0.703 15.656 4.681 119 HG3 ARG 18 2HG ARG 18 -1.875 14.520 4.640 120 HD2 ARG 18 1HD ARG 18 -0.058 12.931 4.034 121 HD3 ARG 18 2HD ARG 18 0.964 14.092 4.560 122 HE ARG 18 HE ARG 18 -0.679 12.412 6.165 123 HH11 ARG 18 1HH1 ARG 18 -0.384 12.411 8.338 124 HH12 ARG 18 2HH1 ARG 18 0.549 13.648 9.112 125 HH21 ARG 18 1HH2 ARG 18 1.311 15.333 6.222 126 HH22 ARG 18 2HH2 ARG 18 1.485 15.260 7.943 127 H GLU 19 H GLU 19 0.129 17.071 0.805 128 HA GLU 19 HA GLU 19 1.018 18.956 2.769 129 HB2 GLU 19 1HB GLU 19 2.693 17.521 0.897 130 HB3 GLU 19 2HB GLU 19 3.270 18.604 1.974 131 HG2 GLU 19 1HG GLU 19 2.101 16.081 2.631 132 HG3 GLU 19 2HG GLU 19 3.692 16.440 2.716 133 H ARG 20 H ARG 20 1.955 20.939 2.197 134 HA ARG 20 HA ARG 20 0.737 22.108 0.012 135 HB2 ARG 20 1HB ARG 20 1.598 23.161 2.147 136 HB3 ARG 20 2HB ARG 20 3.036 23.250 1.379 137 HG2 ARG 20 1HG ARG 20 0.733 24.499 0.297 138 HG3 ARG 20 2HG ARG 20 1.637 25.251 1.430 139 HD2 ARG 20 1HD ARG 20 3.514 25.217 -0.055 140 HD3 ARG 20 2HD ARG 20 2.595 24.487 -1.191 141 HE ARG 20 HE ARG 20 2.549 27.245 -0.480 142 HH11 ARG 20 1HH1 ARG 20 0.836 24.704 -2.231 143 HH12 ARG 20 2HH1 ARG 20 -0.073 25.848 -3.161 144 HH21 ARG 20 1HH2 ARG 20 1.336 28.631 -1.695 145 HH22 ARG 20 2HH2 ARG 20 0.206 28.030 -2.862 146 H SER 21 H SER 21 4.091 21.506 0.540 147 HA SER 21 HA SER 21 4.600 22.195 -2.164 148 HB2 SER 21 1HB SER 21 6.586 21.839 -0.020 149 HB3 SER 21 2HB SER 21 6.901 22.586 -1.438 150 HG SER 21 HG SER 21 5.657 24.277 -0.885 151 H SER 22 H SER 22 3.841 19.396 -1.103 152 HA SER 22 HA SER 22 5.999 18.042 -2.431 153 HB2 SER 22 1HB SER 22 5.543 16.102 -1.294 154 HB3 SER 22 2HB SER 22 5.224 17.249 -0.175 155 HG SER 22 HG SER 22 3.027 17.119 -0.920 156 H PHE 23 H PHE 23 5.436 16.094 -3.775 157 HA PHE 23 HA PHE 23 2.964 16.402 -5.137 158 HB2 PHE 23 1HB PHE 23 4.135 16.454 -7.313 159 HB3 PHE 23 2HB PHE 23 4.322 17.823 -6.441 160 HD1 PHE 23 HD1 PHE 23 6.418 18.687 -6.092 161 HD2 PHE 23 HD2 PHE 23 6.061 14.685 -7.125 162 HE1 PHE 23 HE1 PHE 23 8.816 18.520 -6.244 163 HE2 PHE 23 HE2 PHE 23 8.455 14.511 -7.317 164 HZ PHE 23 HZ PHE 23 9.841 16.429 -6.857 165 H TYR 24 H TYR 24 2.684 14.722 -6.866 166 HA TYR 24 HA TYR 24 3.969 12.237 -6.122 167 HB2 TYR 24 1HB TYR 24 1.629 12.689 -7.724 168 HB3 TYR 24 2HB TYR 24 2.271 11.214 -7.442 169 HD1 TYR 24 HD1 TYR 24 2.255 10.319 -5.071 170 HD2 TYR 24 HD2 TYR 24 0.031 13.623 -6.237 171 HE1 TYR 24 HE1 TYR 24 0.847 10.049 -3.132 172 HE2 TYR 24 HE2 TYR 24 -1.403 13.331 -4.318 173 HH TYR 24 HH TYR 24 -2.118 11.428 -2.768 174 H SER 25 H SER 25 5.332 11.291 -7.736 175 HA SER 25 HA SER 25 5.472 12.717 -10.244 176 HB2 SER 25 1HB SER 25 7.440 13.236 -8.980 177 HB3 SER 25 2HB SER 25 7.747 11.644 -8.786 178 HG SER 25 HG SER 25 9.022 12.337 -10.391 179 H CYS 26 H CYS 26 4.881 11.438 -11.914 180 HA CYS 26 HA CYS 26 5.229 8.592 -11.606 181 HB2 CYS 26 1HB CYS 26 3.659 10.160 -13.307 182 HB3 CYS 26 2HB CYS 26 4.141 8.699 -13.854 183 H ALA 27 H ALA 27 6.971 7.597 -12.487 184 HA ALA 27 HA ALA 27 8.269 8.792 -14.754 185 HB1 ALA 27 1HB ALA 27 9.532 9.666 -12.915 186 HB2 ALA 27 2HB ALA 27 10.454 8.609 -13.719 187 HB3 ALA 27 3HB ALA 27 9.750 8.174 -12.329 188 H ALA 28 H ALA 28 8.288 7.208 -16.266 189 HA ALA 28 HA ALA 28 8.208 5.179 -17.118 190 HB1 ALA 28 1HB ALA 28 10.554 5.083 -16.469 191 HB2 ALA 28 2HB ALA 28 9.932 3.591 -16.448 192 HB3 ALA 28 3HB ALA 28 10.142 4.399 -15.063 193 H GLY 29 H GLY 29 6.125 5.733 -15.312 194 HA2 GLY 29 1HA GLY 29 4.374 4.542 -14.512 195 HA3 GLY 29 2HA GLY 29 5.089 3.151 -14.982 196 H ARG 30 H ARG 30 7.062 4.930 -12.983 197 HA ARG 30 HA ARG 30 6.383 3.296 -10.688 198 HB2 ARG 30 1HB ARG 30 8.818 4.780 -11.071 199 HB3 ARG 30 2HB ARG 30 8.531 3.715 -9.867 200 HG2 ARG 30 1HG ARG 30 8.908 3.035 -12.638 201 HG3 ARG 30 2HG ARG 30 9.966 2.729 -11.432 202 HD2 ARG 30 1HD ARG 30 8.209 1.303 -10.449 203 HD3 ARG 30 2HD ARG 30 7.445 1.423 -11.887 204 HE ARG 30 HE ARG 30 9.769 -0.119 -11.317 205 HH11 ARG 30 1HH1 ARG 30 10.478 -1.545 -12.838 206 HH12 ARG 30 2HH1 ARG 30 9.896 -1.468 -14.467 207 HH21 ARG 30 1HH2 ARG 30 7.799 1.200 -13.933 208 HH22 ARG 30 2HH2 ARG 30 8.413 0.051 -15.074 209 H LEU 31 H LEU 31 5.995 4.338 -8.644 210 HA LEU 31 HA LEU 31 5.274 7.097 -8.991 211 HB2 LEU 31 1HB LEU 31 3.660 5.317 -8.241 212 HB3 LEU 31 2HB LEU 31 4.386 5.471 -6.786 213 HG LEU 31 HG LEU 31 2.471 7.108 -7.999 214 HD11 LEU 31 1HD1 LEU 31 1.749 7.303 -5.640 215 HD12 LEU 31 2HD1 LEU 31 3.086 6.513 -5.189 216 HD13 LEU 31 3HD1 LEU 31 1.942 5.747 -6.038 217 HD21 LEU 31 1HD2 LEU 31 2.933 9.087 -6.809 218 HD22 LEU 31 2HD2 LEU 31 4.070 8.772 -7.915 219 HD23 LEU 31 3HD2 LEU 31 4.359 8.476 -6.352 220 H PHE 32 H PHE 32 6.826 8.500 -8.364 221 HA PHE 32 HA PHE 32 8.190 7.947 -5.890 222 HB2 PHE 32 1HB PHE 32 8.776 9.913 -7.907 223 HB3 PHE 32 2HB PHE 32 9.597 9.822 -6.498 224 HD1 PHE 32 HD1 PHE 32 8.842 7.910 -9.460 225 HD2 PHE 32 HD2 PHE 32 11.486 8.411 -6.295 226 HE1 PHE 32 HE1 PHE 32 10.355 6.346 -10.497 227 HE2 PHE 32 HE2 PHE 32 13.003 6.820 -7.301 228 HZ PHE 32 HZ PHE 32 12.441 5.792 -9.415 229 H GLN 33 H GLN 33 7.700 9.148 -4.000 230 HA GLN 33 HA GLN 33 5.836 11.375 -4.347 231 HB2 GLN 33 1HB GLN 33 6.109 9.632 -2.097 232 HB3 GLN 33 2HB GLN 33 5.170 10.967 -2.101 233 HG2 GLN 33 1HG GLN 33 3.812 10.012 -3.805 234 HG3 GLN 33 2HG GLN 33 4.756 8.679 -3.814 235 HE21 GLN 33 1HE2 GLN 33 3.099 7.049 -1.291 236 HE22 GLN 33 2HE2 GLN 33 4.278 6.982 -2.557 237 H GLN 34 H GLN 34 6.961 13.286 -4.284 238 HA GLN 34 HA GLN 34 9.196 13.516 -2.478 239 HB2 GLN 34 1HB GLN 34 9.402 13.877 -5.337 240 HB3 GLN 34 2HB GLN 34 10.546 14.429 -4.310 241 HG2 GLN 34 1HG GLN 34 11.097 12.238 -3.689 242 HG3 GLN 34 2HG GLN 34 9.886 11.645 -4.611 243 HE21 GLN 34 1HE2 GLN 34 13.442 12.025 -6.178 244 HE22 GLN 34 2HE2 GLN 34 13.083 12.043 -4.484 245 H SER 35 H SER 35 10.163 15.964 -2.871 246 HA SER 35 HA SER 35 7.901 17.671 -3.216 247 HB2 SER 35 1HB SER 35 8.464 18.879 -1.140 248 HB3 SER 35 2HB SER 35 8.124 17.316 -0.809 249 HG SER 35 HG SER 35 9.948 17.794 0.256 250 H CYS 36 H CYS 36 8.322 20.000 -3.336 251 HA CYS 36 HA CYS 36 10.956 20.563 -4.411 252 HB2 CYS 36 1HB CYS 36 8.428 21.165 -5.388 253 HB3 CYS 36 2HB CYS 36 9.450 22.439 -5.391 254 HA PRO 37 HA PRO 37 10.034 23.154 -0.903 255 HB2 PRO 37 1HB PRO 37 12.112 22.711 0.743 256 HB3 PRO 37 2HB PRO 37 10.954 21.565 0.619 257 HG2 PRO 37 1HG PRO 37 13.502 21.633 -0.672 258 HG3 PRO 37 2HG PRO 37 12.742 20.343 -0.021 259 HD2 PRO 37 1HD PRO 37 12.722 20.869 -2.628 260 HD3 PRO 37 2HD PRO 37 11.590 19.944 -1.902 261 H THR 38 H THR 38 13.511 23.372 -1.196 262 HA THR 38 HA THR 38 13.263 26.097 -0.700 263 HB THR 38 HB THR 38 15.866 25.732 -1.342 264 HG1 THR 38 HG1 THR 38 14.680 23.315 -0.921 265 HG21 THR 38 1HG2 THR 38 16.272 25.359 0.999 266 HG22 THR 38 2HG2 THR 38 14.716 24.981 1.225 267 HG23 THR 38 3HG2 THR 38 15.134 26.498 0.851 268 H GLY 39 H GLY 39 12.743 27.668 -2.083 269 HA2 GLY 39 1HA GLY 39 13.125 28.970 -3.892 270 HA3 GLY 39 2HA GLY 39 14.395 28.033 -4.314 271 H LEU 40 H LEU 40 11.560 26.297 -4.005 272 HA LEU 40 HA LEU 40 11.106 26.405 -6.844 273 HB2 LEU 40 1HB LEU 40 11.432 24.003 -5.266 274 HB3 LEU 40 2HB LEU 40 10.902 23.972 -6.811 275 HG LEU 40 HG LEU 40 13.543 24.864 -6.112 276 HD11 LEU 40 1HD1 LEU 40 14.323 22.684 -6.796 277 HD12 LEU 40 2HD1 LEU 40 12.793 22.201 -7.003 278 HD13 LEU 40 3HD1 LEU 40 13.339 22.543 -5.520 279 HD21 LEU 40 1HD2 LEU 40 14.025 24.566 -8.440 280 HD22 LEU 40 2HD2 LEU 40 12.828 25.636 -8.254 281 HD23 LEU 40 3HD2 LEU 40 12.494 24.120 -8.706 282 H VAL 41 H VAL 41 9.015 25.732 -7.601 283 HA VAL 41 HA VAL 41 7.059 25.286 -5.566 284 HB VAL 41 HB VAL 41 5.485 26.867 -6.635 285 HG11 VAL 41 1HG1 VAL 41 6.407 28.864 -5.655 286 HG12 VAL 41 2HG1 VAL 41 7.850 28.143 -5.538 287 HG13 VAL 41 3HG1 VAL 41 6.605 27.611 -4.652 288 HG21 VAL 41 1HG2 VAL 41 6.348 28.537 -8.142 289 HG22 VAL 41 2HG2 VAL 41 6.519 27.066 -8.790 290 HG23 VAL 41 3HG2 VAL 41 7.792 27.810 -8.127 291 H PHE 42 H PHE 42 5.021 24.236 -6.448 292 HA PHE 42 HA PHE 42 5.659 22.789 -8.832 293 HB2 PHE 42 1HB PHE 42 4.834 21.414 -7.147 294 HB3 PHE 42 2HB PHE 42 3.546 22.389 -6.905 295 HD1 PHE 42 HD1 PHE 42 4.835 20.885 -9.975 296 HD2 PHE 42 HD2 PHE 42 1.602 21.175 -7.370 297 HE1 PHE 42 HE1 PHE 42 3.488 19.605 -11.505 298 HE2 PHE 42 HE2 PHE 42 0.272 19.840 -8.876 299 HZ PHE 42 HZ PHE 42 1.219 19.046 -10.938 300 H SER 43 H SER 43 4.907 23.292 -10.824 301 HA SER 43 HA SER 43 2.664 25.096 -10.963 302 HB2 SER 43 1HB SER 43 4.577 25.943 -12.087 303 HB3 SER 43 2HB SER 43 4.669 24.589 -12.995 304 HG SER 43 HG SER 43 3.665 25.887 -14.308 305 H ASN 44 H ASN 44 0.892 23.753 -10.841 306 HA ASN 44 HA ASN 44 0.781 21.293 -12.045 307 HB2 ASN 44 1HB ASN 44 -0.771 21.999 -10.335 308 HB3 ASN 44 2HB ASN 44 -1.487 22.995 -11.413 309 HD21 ASN 44 1HD2 ASN 44 -3.831 20.654 -12.264 310 HD22 ASN 44 2HD2 ASN 44 -3.442 22.310 -11.934 311 H SER 45 H SER 45 0.209 24.374 -13.339 312 HA SER 45 HA SER 45 -1.205 23.643 -15.578 313 HB2 SER 45 1HB SER 45 0.236 25.879 -16.221 314 HB3 SER 45 2HB SER 45 -1.258 25.903 -15.560 315 HG SER 45 HG SER 45 0.322 27.050 -14.356 316 H CYS 46 H CYS 46 2.196 23.580 -15.012 317 HA CYS 46 HA CYS 46 2.602 22.838 -17.761 318 HB2 CYS 46 1HB CYS 46 4.701 23.490 -17.656 319 HB3 CYS 46 2HB CYS 46 3.935 24.568 -16.697 320 H LYS 47 H LYS 47 2.110 21.476 -14.883 321 HA LYS 47 HA LYS 47 2.358 19.436 -14.042 322 HB2 LYS 47 1HB LYS 47 1.935 18.912 -16.614 323 HB3 LYS 47 2HB LYS 47 3.255 18.005 -16.290 324 HG2 LYS 47 1HG LYS 47 1.366 16.686 -16.038 325 HG3 LYS 47 2HG LYS 47 2.041 16.908 -14.567 326 HD2 LYS 47 1HD LYS 47 0.429 18.637 -14.118 327 HD3 LYS 47 2HD LYS 47 -0.271 18.334 -15.563 328 HE2 LYS 47 1HE LYS 47 -0.910 16.209 -14.859 329 HE3 LYS 47 2HE LYS 47 -0.093 16.392 -13.456 330 HZ1 LYS 47 1HZ LYS 47 -2.405 16.832 -13.119 331 HZ2 LYS 47 2HZ LYS 47 -2.354 17.994 -14.242 332 HZ3 LYS 47 3HZ LYS 47 -1.546 18.175 -12.853 333 H CYS 48 H CYS 48 4.587 21.260 -14.249 334 HA CYS 48 HA CYS 48 6.618 19.413 -13.500 335 HB2 CYS 48 1HB CYS 48 8.052 21.421 -14.345 336 HB3 CYS 48 2HB CYS 48 7.811 20.033 -15.170 337 H CYS 49 H CYS 49 8.454 20.427 -12.215 338 HA CYS 49 HA CYS 49 7.416 22.317 -10.309 339 HB2 CYS 49 1HB CYS 49 8.547 20.429 -9.555 340 HB3 CYS 49 2HB CYS 49 9.881 20.907 -10.367 341 H THR 50 H THR 50 8.184 24.468 -10.164 342 HA THR 50 HA THR 50 10.074 25.207 -12.187 343 HB THR 50 HB THR 50 8.740 27.318 -12.502 344 HG1 THR 50 HG1 THR 50 6.451 26.766 -11.779 345 HG21 THR 50 1HG2 THR 50 7.048 26.304 -13.876 346 HG22 THR 50 2HG2 THR 50 7.291 24.878 -13.153 347 HG23 THR 50 3HG2 THR 50 8.437 25.508 -14.104 348 H TRP 51 H TRP 51 11.159 27.340 -11.858 349 HA TRP 51 HA TRP 51 12.101 27.480 -9.245 350 HB2 TRP 51 1HB TRP 51 13.408 28.054 -11.225 351 HB3 TRP 51 2HB TRP 51 12.503 29.403 -11.393 352 HD1 TRP 51 HD1 TRP 51 14.638 28.044 -8.607 353 HE1 TRP 51 HE1 TRP 51 16.022 29.837 -7.538 354 HE3 TRP 51 HE3 TRP 51 13.000 31.846 -11.413 355 HZ2 TRP 51 HZ2 TRP 51 16.308 32.616 -7.935 356 HZ3 TRP 51 HZ3 TRP 51 13.870 34.069 -10.997 357 HH2 TRP 51 HH2 TRP 51 15.514 34.435 -9.266 358 H ASN 52 H ASN 52 11.730 28.814 -7.513 359 HA ASN 52 HA ASN 52 9.433 30.436 -7.611 360 HB2 ASN 52 1HB ASN 52 10.025 29.373 -5.571 361 HB3 ASN 52 2HB ASN 52 11.411 30.235 -5.512 362 HD21 ASN 52 1HD2 ASN 52 9.996 32.662 -3.569 363 HD22 ASN 52 2HD2 ASN 52 11.342 31.614 -3.872 364 H GLY 53 H GLY 53 9.309 32.666 -8.015 365 HA2 GLY 53 1HA GLY 53 10.339 34.788 -7.995 366 HA3 GLY 53 2HA GLY 53 11.817 34.098 -8.081 367 H LEU 54 H LEU 54 10.152 32.345 -10.132 368 HA LEU 54 HA LEU 54 11.086 33.449 -12.491 369 HB2 LEU 54 1HB LEU 54 10.335 31.189 -12.238 370 HB3 LEU 54 2HB LEU 54 8.797 31.737 -12.202 371 HG LEU 54 HG LEU 54 10.233 32.448 -14.523 372 HD11 LEU 54 1HD1 LEU 54 10.037 30.263 -15.500 373 HD12 LEU 54 2HD1 LEU 54 9.493 29.679 -14.094 374 HD13 LEU 54 3HD1 LEU 54 11.018 30.203 -14.216 375 HD21 LEU 54 1HD2 LEU 54 8.177 31.962 -15.601 376 HD22 LEU 54 2HD2 LEU 54 7.928 32.966 -14.359 377 HD23 LEU 54 3HD2 LEU 54 7.570 31.396 -14.213 378 H VAL 55 H VAL 55 10.435 35.193 -13.699 379 HA VAL 55 HA VAL 55 8.248 36.668 -12.683 380 HB VAL 55 HB VAL 55 9.837 37.385 -15.004 381 HG11 VAL 55 1HG1 VAL 55 9.147 39.646 -14.529 382 HG12 VAL 55 2HG1 VAL 55 8.263 39.117 -13.282 383 HG13 VAL 55 3HG1 VAL 55 7.850 38.717 -14.793 384 HG21 VAL 55 1HG2 VAL 55 11.240 38.681 -13.500 385 HG22 VAL 55 2HG2 VAL 55 11.313 37.116 -13.098 386 HG23 VAL 55 3HG2 VAL 55 10.396 38.130 -12.235 387 HA PRO 56 HA PRO 56 5.677 34.753 -15.671 388 HB2 PRO 56 1HB PRO 56 3.268 35.278 -14.687 389 HB3 PRO 56 2HB PRO 56 4.260 34.386 -13.745 390 HG2 PRO 56 1HG PRO 56 3.806 37.198 -13.630 391 HG3 PRO 56 2HG PRO 56 3.783 36.132 -12.393 392 HD2 PRO 56 1HD PRO 56 5.936 37.570 -12.934 393 HD3 PRO 56 2HD PRO 56 6.049 36.101 -12.229 394 H ARG 57 H ARG 57 6.369 37.763 -15.850 395 HA ARG 57 HA ARG 57 4.692 38.252 -18.111 396 HB2 ARG 57 1HB ARG 57 3.896 40.345 -17.335 397 HB3 ARG 57 2HB ARG 57 3.453 39.191 -16.267 398 HG2 ARG 57 1HG ARG 57 4.235 40.610 -14.764 399 HG3 ARG 57 2HG ARG 57 5.689 39.992 -15.178 400 HD2 ARG 57 1HD ARG 57 5.708 41.800 -16.916 401 HD3 ARG 57 2HD ARG 57 4.558 42.496 -15.990 402 HE ARG 57 HE ARG 57 6.184 42.522 -14.147 403 HH11 ARG 57 1HH1 ARG 57 7.334 42.435 -17.482 404 HH12 ARG 57 2HH1 ARG 57 8.853 43.151 -17.060 405 HH21 ARG 57 1HH2 ARG 57 8.135 43.445 -13.704 406 HH22 ARG 57 2HH2 ARG 57 9.297 43.712 -14.960 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 3.238 -7.297 -5.770 2 H2 GLY 1 2H GLY 1 3.715 -5.977 -4.967 3 H3 GLY 1 3H GLY 1 4.428 -6.377 -6.362 4 HA2 GLY 1 1HA GLY 1 2.420 -5.960 -7.519 5 HA3 GLY 1 2HA GLY 1 1.699 -5.556 -6.110 6 H SER 2 H SER 2 1.256 -3.521 -7.545 7 HA SER 2 HA SER 2 3.189 -1.560 -6.754 8 HB2 SER 2 1HB SER 2 4.019 -2.159 -8.933 9 HB3 SER 2 2HB SER 2 2.538 -1.920 -9.578 10 HG SER 2 HG SER 2 3.540 -0.108 -10.031 11 HA PRO 3 HA PRO 3 -0.673 0.364 -6.337 12 HB2 PRO 3 1HB PRO 3 -0.132 2.930 -5.929 13 HB3 PRO 3 2HB PRO 3 0.270 1.851 -4.771 14 HG2 PRO 3 1HG PRO 3 1.962 2.941 -6.802 15 HG3 PRO 3 2HG PRO 3 2.278 2.814 -5.205 16 HD2 PRO 3 1HD PRO 3 3.201 1.036 -6.867 17 HD3 PRO 3 2HD PRO 3 2.759 0.596 -5.358 18 H THR 4 H THR 4 -2.350 1.031 -7.569 19 HA THR 4 HA THR 4 -1.669 1.640 -10.241 20 HB THR 4 HB THR 4 -4.132 1.608 -10.557 21 HG1 THR 4 HG1 THR 4 -5.405 1.346 -8.909 22 HG21 THR 4 1HG2 THR 4 -4.298 -0.792 -10.256 23 HG22 THR 4 2HG2 THR 4 -2.989 -0.775 -9.308 24 HG23 THR 4 3HG2 THR 4 -2.849 -0.451 -10.886 25 H PHE 5 H PHE 5 -1.627 3.482 -7.747 26 HA PHE 5 HA PHE 5 -3.118 5.683 -8.093 27 HB2 PHE 5 1HB PHE 5 -1.595 5.285 -6.262 28 HB3 PHE 5 2HB PHE 5 -0.329 5.532 -7.264 29 HD1 PHE 5 HD1 PHE 5 0.424 7.744 -7.817 30 HD2 PHE 5 HD2 PHE 5 -2.936 7.207 -5.429 31 HE1 PHE 5 HE1 PHE 5 0.617 10.016 -7.060 32 HE2 PHE 5 HE2 PHE 5 -2.799 9.509 -4.714 33 HZ PHE 5 HZ PHE 5 -1.026 10.913 -5.529 34 H CYS 6 H CYS 6 0.024 5.320 -9.619 35 HA CYS 6 HA CYS 6 -0.765 7.461 -11.371 36 HB2 CYS 6 1HB CYS 6 1.268 8.246 -11.472 37 HB3 CYS 6 2HB CYS 6 1.233 7.649 -9.952 38 H GLN 7 H GLN 7 -0.561 4.238 -11.438 39 HA GLN 7 HA GLN 7 0.498 3.805 -13.976 40 HB2 GLN 7 1HB GLN 7 -1.363 2.313 -12.404 41 HB3 GLN 7 2HB GLN 7 -0.811 1.763 -13.840 42 HG2 GLN 7 1HG GLN 7 1.437 1.782 -12.927 43 HG3 GLN 7 2HG GLN 7 0.809 2.195 -11.477 44 HE21 GLN 7 1HE2 GLN 7 0.357 -1.062 -10.494 45 HE22 GLN 7 2HE2 GLN 7 0.747 0.571 -10.070 46 H GLY 8 H GLY 8 -0.357 3.867 -16.035 47 HA2 GLY 8 1HA GLY 8 -2.016 4.195 -17.548 48 HA3 GLY 8 2HA GLY 8 -3.130 4.282 -16.357 49 H LYS 9 H LYS 9 -0.754 6.356 -15.560 50 HA LYS 9 HA LYS 9 -2.087 8.609 -16.799 51 HB2 LYS 9 1HB LYS 9 -1.129 8.260 -14.182 52 HB3 LYS 9 2HB LYS 9 -0.751 9.705 -14.844 53 HG2 LYS 9 1HG LYS 9 -2.727 10.054 -13.793 54 HG3 LYS 9 2HG LYS 9 -3.111 9.936 -15.376 55 HD2 LYS 9 1HD LYS 9 -4.699 8.700 -14.226 56 HD3 LYS 9 2HD LYS 9 -3.725 7.618 -14.965 57 HE2 LYS 9 1HE LYS 9 -2.512 7.408 -12.890 58 HE3 LYS 9 2HE LYS 9 -3.658 8.336 -12.187 59 HZ1 LYS 9 1HZ LYS 9 -4.082 6.038 -11.744 60 HZ2 LYS 9 2HZ LYS 9 -4.150 5.732 -13.330 61 HZ3 LYS 9 3HZ LYS 9 -5.285 6.650 -12.634 62 H ALA 10 H ALA 10 -0.679 10.354 -17.571 63 HA ALA 10 HA ALA 10 1.548 9.340 -18.895 64 HB1 ALA 10 1HB ALA 10 0.358 11.225 -19.768 65 HB2 ALA 10 2HB ALA 10 1.918 11.618 -19.605 66 HB3 ALA 10 3HB ALA 10 0.837 12.129 -18.516 67 H ASP 11 H ASP 11 3.806 9.714 -18.611 68 HA ASP 11 HA ASP 11 4.745 9.830 -16.029 69 HB2 ASP 11 1HB ASP 11 6.173 10.333 -18.487 70 HB3 ASP 11 2HB ASP 11 6.925 10.222 -17.041 71 H GLY 12 H GLY 12 5.240 11.598 -14.655 72 HA2 GLY 12 1HA GLY 12 5.879 14.101 -15.283 73 HA3 GLY 12 2HA GLY 12 4.275 14.105 -15.587 74 H LEU 13 H LEU 13 4.654 15.876 -13.800 75 HA LEU 13 HA LEU 13 4.702 14.644 -11.235 76 HB2 LEU 13 1HB LEU 13 4.674 17.475 -11.794 77 HB3 LEU 13 2HB LEU 13 4.958 16.822 -10.324 78 HG LEU 13 HG LEU 13 6.790 16.769 -12.532 79 HD11 LEU 13 1HD1 LEU 13 8.082 18.278 -11.108 80 HD12 LEU 13 2HD1 LEU 13 6.916 18.215 -9.989 81 HD13 LEU 13 3HD1 LEU 13 6.634 18.932 -11.411 82 HD21 LEU 13 1HD2 LEU 13 8.369 15.789 -11.093 83 HD22 LEU 13 2HD2 LEU 13 7.097 14.811 -11.295 84 HD23 LEU 13 3HD2 LEU 13 7.250 15.668 -9.932 85 H TYR 14 H TYR 14 3.047 14.913 -9.610 86 HA TYR 14 HA TYR 14 0.587 16.098 -10.557 87 HB2 TYR 14 1HB TYR 14 0.776 13.447 -9.410 88 HB3 TYR 14 2HB TYR 14 -0.650 14.218 -9.614 89 HD1 TYR 14 HD1 TYR 14 2.014 12.546 -11.347 90 HD2 TYR 14 HD2 TYR 14 -1.651 14.435 -11.869 91 HE1 TYR 14 HE1 TYR 14 1.946 11.773 -13.638 92 HE2 TYR 14 HE2 TYR 14 -1.708 13.654 -14.162 93 HH TYR 14 HH TYR 14 0.057 11.278 -15.401 94 HA PRO 15 HA PRO 15 0.817 18.029 -6.814 95 HB2 PRO 15 1HB PRO 15 -1.707 18.851 -6.302 96 HB3 PRO 15 2HB PRO 15 -0.899 19.523 -7.552 97 HG2 PRO 15 1HG PRO 15 -2.738 17.330 -7.649 98 HG3 PRO 15 2HG PRO 15 -2.732 18.665 -8.590 99 HD2 PRO 15 1HD PRO 15 -1.698 16.513 -9.472 100 HD3 PRO 15 2HD PRO 15 -0.976 17.940 -9.805 101 H ASN 16 H ASN 16 0.841 17.953 -4.643 102 HA ASN 16 HA ASN 16 -0.351 15.563 -3.544 103 HB2 ASN 16 1HB ASN 16 1.963 16.071 -3.099 104 HB3 ASN 16 2HB ASN 16 1.455 17.337 -2.201 105 HD21 ASN 16 1HD2 ASN 16 1.936 13.967 -0.397 106 HD22 ASN 16 2HD2 ASN 16 2.754 14.544 -1.810 107 HA PRO 17 HA PRO 17 -3.420 18.288 -2.018 108 HB2 PRO 17 1HB PRO 17 -5.145 16.618 -0.886 109 HB3 PRO 17 2HB PRO 17 -4.947 16.506 -2.503 110 HG2 PRO 17 1HG PRO 17 -3.630 14.941 -0.483 111 HG3 PRO 17 2HG PRO 17 -4.432 14.384 -1.792 112 HD2 PRO 17 1HD PRO 17 -1.837 14.667 -1.878 113 HD3 PRO 17 2HD PRO 17 -2.730 14.946 -3.216 114 H ARG 18 H ARG 18 -1.550 16.448 0.060 115 HA ARG 18 HA ARG 18 -2.645 17.655 2.392 116 HB2 ARG 18 1HB ARG 18 -0.566 15.665 2.107 117 HB3 ARG 18 2HB ARG 18 -1.019 16.236 3.568 118 HG2 ARG 18 1HG ARG 18 -3.124 15.248 3.336 119 HG3 ARG 18 2HG ARG 18 -2.751 14.751 1.826 120 HD2 ARG 18 1HD ARG 18 -1.103 13.310 2.664 121 HD3 ARG 18 2HD ARG 18 -1.337 13.876 4.178 122 HE ARG 18 HE ARG 18 -3.720 12.811 3.193 123 HH11 ARG 18 1HH1 ARG 18 -4.512 10.914 4.010 124 HH12 ARG 18 2HH1 ARG 18 -3.465 9.792 4.814 125 HH21 ARG 18 1HH2 ARG 18 -0.632 11.748 4.504 126 HH22 ARG 18 2HH2 ARG 18 -1.292 10.258 5.090 127 H GLU 19 H GLU 19 0.251 17.669 0.555 128 HA GLU 19 HA GLU 19 1.322 19.721 2.262 129 HB2 GLU 19 1HB GLU 19 2.705 17.878 0.533 130 HB3 GLU 19 2HB GLU 19 3.474 19.160 1.193 131 HG2 GLU 19 1HG GLU 19 4.034 17.561 2.657 132 HG3 GLU 19 2HG GLU 19 2.689 18.146 3.374 133 H ARG 20 H ARG 20 2.845 21.307 1.101 134 HA ARG 20 HA ARG 20 1.624 22.058 -1.392 135 HB2 ARG 20 1HB ARG 20 1.513 23.664 0.463 136 HB3 ARG 20 2HB ARG 20 3.134 23.823 0.343 137 HG2 ARG 20 1HG ARG 20 2.090 25.659 -0.688 138 HG3 ARG 20 2HG ARG 20 2.862 24.777 -1.825 139 HD2 ARG 20 1HD ARG 20 0.889 23.864 -2.582 140 HD3 ARG 20 2HD ARG 20 0.066 24.402 -1.278 141 HE ARG 20 HE ARG 20 0.826 25.955 -3.574 142 HH11 ARG 20 1HH1 ARG 20 -0.782 25.981 -0.430 143 HH12 ARG 20 2HH1 ARG 20 -1.518 27.518 -0.739 144 HH21 ARG 20 1HH2 ARG 20 -0.140 27.900 -3.875 145 HH22 ARG 20 2HH2 ARG 20 -1.161 28.582 -2.653 146 H SER 21 H SER 21 4.620 21.537 0.124 147 HA SER 21 HA SER 21 6.088 22.297 -2.159 148 HB2 SER 21 1HB SER 21 7.109 22.819 -0.041 149 HB3 SER 21 2HB SER 21 6.981 21.266 0.447 150 HG SER 21 HG SER 21 9.033 21.475 -0.086 151 H SER 22 H SER 22 4.989 19.316 -0.836 152 HA SER 22 HA SER 22 6.827 17.856 -2.428 153 HB2 SER 22 1HB SER 22 6.011 15.888 -1.377 154 HB3 SER 22 2HB SER 22 6.122 17.018 -0.203 155 HG SER 22 HG SER 22 3.793 16.651 -1.595 156 H PHE 23 H PHE 23 6.210 16.187 -3.950 157 HA PHE 23 HA PHE 23 3.609 16.541 -5.062 158 HB2 PHE 23 1HB PHE 23 4.579 16.477 -7.318 159 HB3 PHE 23 2HB PHE 23 4.919 17.851 -6.503 160 HD1 PHE 23 HD1 PHE 23 7.096 18.581 -6.322 161 HD2 PHE 23 HD2 PHE 23 6.410 14.624 -7.310 162 HE1 PHE 23 HE1 PHE 23 9.457 18.299 -6.682 163 HE2 PHE 23 HE2 PHE 23 8.792 14.308 -7.668 164 HZ PHE 23 HZ PHE 23 10.314 16.165 -7.349 165 H TYR 24 H TYR 24 3.030 14.805 -6.619 166 HA TYR 24 HA TYR 24 4.313 12.274 -6.004 167 HB2 TYR 24 1HB TYR 24 1.867 12.807 -7.423 168 HB3 TYR 24 2HB TYR 24 2.458 11.312 -7.134 169 HD1 TYR 24 HD1 TYR 24 2.699 10.606 -4.661 170 HD2 TYR 24 HD2 TYR 24 0.283 13.752 -5.922 171 HE1 TYR 24 HE1 TYR 24 1.458 10.488 -2.584 172 HE2 TYR 24 HE2 TYR 24 -0.944 13.617 -3.848 173 HH TYR 24 HH TYR 24 -1.507 12.017 -2.064 174 H SER 25 H SER 25 5.244 11.104 -7.804 175 HA SER 25 HA SER 25 5.249 12.519 -10.311 176 HB2 SER 25 1HB SER 25 7.340 13.140 -9.297 177 HB3 SER 25 2HB SER 25 7.718 11.563 -9.103 178 HG SER 25 HG SER 25 8.740 12.143 -10.868 179 H CYS 26 H CYS 26 5.166 11.144 -12.108 180 HA CYS 26 HA CYS 26 5.284 8.313 -11.465 181 HB2 CYS 26 1HB CYS 26 3.164 9.278 -12.198 182 HB3 CYS 26 2HB CYS 26 3.853 9.356 -13.677 183 H ALA 27 H ALA 27 7.029 7.285 -12.331 184 HA ALA 27 HA ALA 27 7.960 8.189 -14.883 185 HB1 ALA 27 1HB ALA 27 9.424 9.307 -13.316 186 HB2 ALA 27 2HB ALA 27 10.283 8.200 -14.123 187 HB3 ALA 27 3HB ALA 27 9.781 7.894 -12.616 188 H ALA 28 H ALA 28 8.060 6.488 -16.251 189 HA ALA 28 HA ALA 28 8.026 4.380 -16.904 190 HB1 ALA 28 1HB ALA 28 10.403 4.418 -16.307 191 HB2 ALA 28 2HB ALA 28 9.832 2.915 -16.143 192 HB3 ALA 28 3HB ALA 28 10.043 3.846 -14.838 193 H GLY 29 H GLY 29 5.991 5.037 -15.127 194 HA2 GLY 29 1HA GLY 29 4.245 3.875 -14.308 195 HA3 GLY 29 2HA GLY 29 5.036 2.465 -14.544 196 H ARG 30 H ARG 30 6.987 4.382 -12.731 197 HA ARG 30 HA ARG 30 6.219 2.980 -10.318 198 HB2 ARG 30 1HB ARG 30 8.707 4.338 -10.801 199 HB3 ARG 30 2HB ARG 30 8.381 3.388 -9.514 200 HG2 ARG 30 1HG ARG 30 8.668 2.421 -12.230 201 HG3 ARG 30 2HG ARG 30 9.784 2.227 -11.053 202 HD2 ARG 30 1HD ARG 30 8.258 0.855 -9.846 203 HD3 ARG 30 2HD ARG 30 7.162 1.032 -11.044 204 HE ARG 30 HE ARG 30 8.321 -0.410 -12.413 205 HH11 ARG 30 1HH1 ARG 30 9.635 -2.165 -12.648 206 HH12 ARG 30 2HH1 ARG 30 10.809 -2.563 -11.438 207 HH21 ARG 30 1HH2 ARG 30 10.035 0.082 -9.375 208 HH22 ARG 30 2HH2 ARG 30 11.031 -1.314 -9.617 209 H LEU 31 H LEU 31 5.574 4.032 -8.451 210 HA LEU 31 HA LEU 31 5.029 6.803 -8.750 211 HB2 LEU 31 1HB LEU 31 3.637 4.987 -7.616 212 HB3 LEU 31 2HB LEU 31 4.530 5.392 -6.309 213 HG LEU 31 HG LEU 31 2.457 6.843 -7.557 214 HD11 LEU 31 1HD1 LEU 31 1.759 7.087 -5.178 215 HD12 LEU 31 2HD1 LEU 31 3.123 6.345 -4.729 216 HD13 LEU 31 3HD1 LEU 31 1.983 5.526 -5.532 217 HD21 LEU 31 1HD2 LEU 31 2.880 8.859 -6.390 218 HD22 LEU 31 2HD2 LEU 31 4.029 8.553 -7.486 219 HD23 LEU 31 3HD2 LEU 31 4.314 8.280 -5.918 220 H PHE 32 H PHE 32 6.529 8.331 -8.289 221 HA PHE 32 HA PHE 32 8.314 7.817 -6.094 222 HB2 PHE 32 1HB PHE 32 8.607 9.622 -8.309 223 HB3 PHE 32 2HB PHE 32 9.571 9.721 -6.995 224 HD1 PHE 32 HD1 PHE 32 8.692 7.579 -9.745 225 HD2 PHE 32 HD2 PHE 32 11.474 8.271 -6.733 226 HE1 PHE 32 HE1 PHE 32 10.166 5.998 -10.765 227 HE2 PHE 32 HE2 PHE 32 12.933 6.593 -7.680 228 HZ PHE 32 HZ PHE 32 12.288 5.461 -9.710 229 H GLN 33 H GLN 33 8.307 9.267 -4.306 230 HA GLN 33 HA GLN 33 6.392 11.477 -4.466 231 HB2 GLN 33 1HB GLN 33 6.761 9.782 -2.168 232 HB3 GLN 33 2HB GLN 33 5.749 11.062 -2.241 233 HG2 GLN 33 1HG GLN 33 4.416 9.902 -3.846 234 HG3 GLN 33 2HG GLN 33 5.419 8.617 -3.739 235 HE21 GLN 33 1HE2 GLN 33 3.759 7.136 -1.154 236 HE22 GLN 33 2HE2 GLN 33 4.883 6.993 -2.464 237 H GLN 34 H GLN 34 7.571 13.409 -4.288 238 HA GLN 34 HA GLN 34 9.887 13.379 -2.613 239 HB2 GLN 34 1HB GLN 34 10.054 14.003 -5.448 240 HB3 GLN 34 2HB GLN 34 11.266 14.356 -4.412 241 HG2 GLN 34 1HG GLN 34 11.473 11.991 -3.960 242 HG3 GLN 34 2HG GLN 34 10.391 11.718 -5.152 243 HE21 GLN 34 1HE2 GLN 34 12.686 11.700 -7.667 244 HE22 GLN 34 2HE2 GLN 34 11.128 11.224 -7.081 245 H SER 35 H SER 35 10.962 15.629 -2.512 246 HA SER 35 HA SER 35 8.837 17.549 -2.414 247 HB2 SER 35 1HB SER 35 10.239 18.679 -0.696 248 HB3 SER 35 2HB SER 35 9.801 17.171 -0.246 249 HG SER 35 HG SER 35 11.772 16.403 -0.793 250 H CYS 36 H CYS 36 9.206 19.808 -2.901 251 HA CYS 36 HA CYS 36 11.464 20.280 -4.661 252 HB2 CYS 36 1HB CYS 36 8.829 20.688 -5.056 253 HB3 CYS 36 2HB CYS 36 9.554 22.151 -5.008 254 HA PRO 37 HA PRO 37 11.717 22.869 -1.112 255 HB2 PRO 37 1HB PRO 37 14.222 22.431 -0.206 256 HB3 PRO 37 2HB PRO 37 13.127 21.230 -0.054 257 HG2 PRO 37 1HG PRO 37 15.112 21.536 -2.117 258 HG3 PRO 37 2HG PRO 37 14.697 20.164 -1.335 259 HD2 PRO 37 1HD PRO 37 13.764 20.791 -3.717 260 HD3 PRO 37 2HD PRO 37 12.984 19.779 -2.700 261 H THR 38 H THR 38 14.936 23.328 -2.408 262 HA THR 38 HA THR 38 14.787 25.885 -1.386 263 HB THR 38 HB THR 38 17.023 25.839 -2.943 264 HG1 THR 38 HG1 THR 38 16.907 23.263 -2.068 265 HG21 THR 38 1HG2 THR 38 18.220 25.148 -0.951 266 HG22 THR 38 2HG2 THR 38 16.837 24.641 -0.282 267 HG23 THR 38 3HG2 THR 38 17.088 26.220 -0.523 268 H GLY 39 H GLY 39 13.395 27.282 -2.114 269 HA2 GLY 39 1HA GLY 39 12.878 29.022 -3.457 270 HA3 GLY 39 2HA GLY 39 14.144 28.678 -4.428 271 H LEU 40 H LEU 40 12.089 26.108 -3.894 272 HA LEU 40 HA LEU 40 11.150 26.320 -6.612 273 HB2 LEU 40 1HB LEU 40 11.696 24.028 -4.918 274 HB3 LEU 40 2HB LEU 40 10.943 23.840 -6.355 275 HG LEU 40 HG LEU 40 13.568 24.961 -6.235 276 HD11 LEU 40 1HD1 LEU 40 14.440 22.714 -6.583 277 HD12 LEU 40 2HD1 LEU 40 12.945 22.114 -6.436 278 HD13 LEU 40 3HD1 LEU 40 13.675 22.787 -5.160 279 HD21 LEU 40 1HD2 LEU 40 13.733 24.238 -8.490 280 HD22 LEU 40 2HD2 LEU 40 12.477 25.240 -8.309 281 HD23 LEU 40 3HD2 LEU 40 12.230 23.645 -8.418 282 H VAL 41 H VAL 41 9.106 26.156 -7.274 283 HA VAL 41 HA VAL 41 7.187 25.500 -5.269 284 HB VAL 41 HB VAL 41 5.677 27.267 -6.151 285 HG11 VAL 41 1HG1 VAL 41 6.763 29.067 -4.914 286 HG12 VAL 41 2HG1 VAL 41 8.150 28.237 -4.930 287 HG13 VAL 41 3HG1 VAL 41 6.888 27.684 -4.084 288 HG21 VAL 41 1HG2 VAL 41 6.651 29.071 -7.401 289 HG22 VAL 41 2HG2 VAL 41 6.746 27.694 -8.245 290 HG23 VAL 41 3HG2 VAL 41 8.051 28.265 -7.479 291 H PHE 42 H PHE 42 5.163 24.506 -6.007 292 HA PHE 42 HA PHE 42 5.574 23.200 -8.513 293 HB2 PHE 42 1HB PHE 42 4.956 21.842 -6.702 294 HB3 PHE 42 2HB PHE 42 3.577 22.696 -6.506 295 HD1 PHE 42 HD1 PHE 42 5.268 20.624 -8.950 296 HD2 PHE 42 HD2 PHE 42 1.579 21.953 -7.526 297 HE1 PHE 42 HE1 PHE 42 4.139 19.173 -10.504 298 HE2 PHE 42 HE2 PHE 42 0.462 20.473 -9.073 299 HZ PHE 42 HZ PHE 42 1.760 19.084 -10.552 300 H SER 43 H SER 43 4.469 23.499 -10.374 301 HA SER 43 HA SER 43 2.256 25.334 -10.312 302 HB2 SER 43 1HB SER 43 4.093 26.174 -11.635 303 HB3 SER 43 2HB SER 43 4.045 24.829 -12.560 304 HG SER 43 HG SER 43 2.958 26.251 -13.710 305 H ASN 44 H ASN 44 0.427 24.171 -10.232 306 HA ASN 44 HA ASN 44 0.301 21.632 -11.322 307 HB2 ASN 44 1HB ASN 44 -1.069 22.376 -9.437 308 HB3 ASN 44 2HB ASN 44 -1.968 23.254 -10.480 309 HD21 ASN 44 1HD2 ASN 44 -4.243 20.674 -10.569 310 HD22 ASN 44 2HD2 ASN 44 -3.933 22.341 -10.214 311 H SER 45 H SER 45 -0.384 24.610 -12.723 312 HA SER 45 HA SER 45 -2.171 23.767 -14.655 313 HB2 SER 45 1HB SER 45 -1.279 25.851 -15.849 314 HB3 SER 45 2HB SER 45 -2.035 26.077 -14.420 315 HG SER 45 HG SER 45 0.616 25.569 -14.287 316 H CYS 46 H CYS 46 1.285 23.733 -14.615 317 HA CYS 46 HA CYS 46 1.238 22.542 -17.218 318 HB2 CYS 46 1HB CYS 46 3.349 23.320 -17.599 319 HB3 CYS 46 2HB CYS 46 2.486 24.554 -16.968 320 H LYS 47 H LYS 47 1.419 21.598 -14.198 321 HA LYS 47 HA LYS 47 2.129 19.801 -13.152 322 HB2 LYS 47 1HB LYS 47 2.657 18.525 -15.689 323 HB3 LYS 47 2HB LYS 47 2.466 17.737 -14.271 324 HG2 LYS 47 1HG LYS 47 0.387 19.170 -15.622 325 HG3 LYS 47 2HG LYS 47 0.551 17.545 -15.627 326 HD2 LYS 47 1HD LYS 47 0.175 17.504 -13.286 327 HD3 LYS 47 2HD LYS 47 0.002 19.128 -13.287 328 HE2 LYS 47 1HE LYS 47 -1.877 18.918 -14.713 329 HE3 LYS 47 2HE LYS 47 -1.710 17.293 -14.684 330 HZ1 LYS 47 1HZ LYS 47 -3.355 17.973 -13.115 331 HZ2 LYS 47 2HZ LYS 47 -2.268 18.911 -12.372 332 HZ3 LYS 47 3HZ LYS 47 -2.103 17.303 -12.343 333 H CYS 48 H CYS 48 4.016 21.862 -13.634 334 HA CYS 48 HA CYS 48 6.489 20.395 -13.639 335 HB2 CYS 48 1HB CYS 48 6.619 23.177 -13.856 336 HB3 CYS 48 2HB CYS 48 7.536 22.049 -14.600 337 H CYS 49 H CYS 49 8.241 21.187 -12.195 338 HA CYS 49 HA CYS 49 7.264 22.784 -9.968 339 HB2 CYS 49 1HB CYS 49 8.096 20.718 -9.325 340 HB3 CYS 49 2HB CYS 49 9.533 21.097 -10.002 341 H THR 50 H THR 50 8.118 24.883 -9.931 342 HA THR 50 HA THR 50 10.243 25.409 -11.817 343 HB THR 50 HB THR 50 9.074 27.612 -12.210 344 HG1 THR 50 HG1 THR 50 6.740 27.311 -11.522 345 HG21 THR 50 1HG2 THR 50 7.298 26.728 -13.590 346 HG22 THR 50 2HG2 THR 50 7.396 25.303 -12.833 347 HG23 THR 50 3HG2 THR 50 8.603 25.794 -13.789 348 H TRP 51 H TRP 51 11.656 27.273 -11.351 349 HA TRP 51 HA TRP 51 12.009 27.581 -8.580 350 HB2 TRP 51 1HB TRP 51 13.770 27.637 -10.346 351 HB3 TRP 51 2HB TRP 51 13.395 29.223 -10.448 352 HD1 TRP 51 HD1 TRP 51 14.760 26.801 -7.967 353 HE1 TRP 51 HE1 TRP 51 16.074 27.923 -6.152 354 HE3 TRP 51 HE3 TRP 51 13.831 31.520 -9.331 355 HZ2 TRP 51 HZ2 TRP 51 16.587 30.612 -5.444 356 HZ3 TRP 51 HZ3 TRP 51 14.770 33.324 -8.023 357 HH2 TRP 51 HH2 TRP 51 16.140 32.865 -6.110 358 H ASN 52 H ASN 52 11.646 29.517 -7.305 359 HA ASN 52 HA ASN 52 9.546 31.030 -8.341 360 HB2 ASN 52 1HB ASN 52 9.488 30.394 -6.035 361 HB3 ASN 52 2HB ASN 52 10.848 31.252 -5.750 362 HD21 ASN 52 1HD2 ASN 52 8.858 33.757 -4.500 363 HD22 ASN 52 2HD2 ASN 52 10.038 32.536 -4.154 364 H GLY 53 H GLY 53 10.485 32.137 -10.086 365 HA2 GLY 53 1HA GLY 53 12.401 34.161 -9.440 366 HA3 GLY 53 2HA GLY 53 11.912 33.738 -10.940 367 H LEU 54 H LEU 54 9.567 34.355 -8.537 368 HA LEU 54 HA LEU 54 8.340 36.321 -10.056 369 HB2 LEU 54 1HB LEU 54 7.130 34.980 -8.473 370 HB3 LEU 54 2HB LEU 54 7.918 35.717 -7.247 371 HG LEU 54 HG LEU 54 6.523 37.520 -8.880 372 HD11 LEU 54 1HD1 LEU 54 4.329 36.941 -8.121 373 HD12 LEU 54 2HD1 LEU 54 4.924 35.617 -7.407 374 HD13 LEU 54 3HD1 LEU 54 4.946 35.746 -9.019 375 HD21 LEU 54 1HD2 LEU 54 5.820 38.452 -6.791 376 HD22 LEU 54 2HD2 LEU 54 7.423 38.237 -6.796 377 HD23 LEU 54 3HD2 LEU 54 6.470 37.196 -6.006 378 H VAL 55 H VAL 55 8.576 38.537 -10.185 379 HA VAL 55 HA VAL 55 10.231 39.758 -8.151 380 HB VAL 55 HB VAL 55 9.858 40.837 -10.833 381 HG11 VAL 55 1HG1 VAL 55 11.666 42.330 -10.274 382 HG12 VAL 55 2HG1 VAL 55 11.745 41.689 -8.791 383 HG13 VAL 55 3HG1 VAL 55 10.443 42.538 -9.237 384 HG21 VAL 55 1HG2 VAL 55 12.094 40.044 -11.338 385 HG22 VAL 55 2HG2 VAL 55 11.142 38.787 -10.980 386 HG23 VAL 55 3HG2 VAL 55 12.185 39.352 -9.880 387 HA PRO 56 HA PRO 56 6.354 41.673 -7.332 388 HB2 PRO 56 1HB PRO 56 6.721 42.472 -4.856 389 HB3 PRO 56 2HB PRO 56 6.829 40.865 -5.128 390 HG2 PRO 56 1HG PRO 56 8.965 42.754 -4.947 391 HG3 PRO 56 2HG PRO 56 8.852 41.303 -4.206 392 HD2 PRO 56 1HD PRO 56 10.194 41.620 -6.469 393 HD3 PRO 56 2HD PRO 56 9.539 40.185 -6.048 394 H ARG 57 H ARG 57 8.716 43.297 -8.455 395 HA ARG 57 HA ARG 57 7.408 45.830 -8.110 396 HB2 ARG 57 1HB ARG 57 9.474 46.961 -7.679 397 HB3 ARG 57 2HB ARG 57 9.127 45.905 -6.482 398 HG2 ARG 57 1HG ARG 57 10.685 44.374 -7.368 399 HG3 ARG 57 2HG ARG 57 11.019 45.409 -8.587 400 HD2 ARG 57 1HD ARG 57 11.828 46.976 -6.951 401 HD3 ARG 57 2HD ARG 57 11.629 45.823 -5.812 402 HE ARG 57 HE ARG 57 13.176 44.797 -7.881 403 HH11 ARG 57 1HH1 ARG 57 15.361 44.503 -7.638 404 HH12 ARG 57 2HH1 ARG 57 16.229 45.344 -6.397 405 HH21 ARG 57 1HH2 ARG 57 13.492 46.977 -5.118 406 HH22 ARG 57 2HH2 ARG 57 15.199 46.707 -5.009 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 7.194 -6.689 -6.853 2 H2 GLY 1 2H GLY 1 6.574 -5.354 -6.185 3 H3 GLY 1 3H GLY 1 8.070 -5.331 -6.799 4 HA2 GLY 1 1HA GLY 1 7.194 -5.652 -8.964 5 HA3 GLY 1 2HA GLY 1 5.683 -5.676 -8.344 6 H SER 2 H SER 2 5.850 -3.893 -10.263 7 HA SER 2 HA SER 2 6.779 -1.423 -9.259 8 HB2 SER 2 1HB SER 2 5.201 -1.945 -11.661 9 HB3 SER 2 2HB SER 2 5.957 -0.528 -11.364 10 HG SER 2 HG SER 2 7.860 -2.073 -11.171 11 HA PRO 3 HA PRO 3 2.953 -0.276 -7.478 12 HB2 PRO 3 1HB PRO 3 3.088 2.373 -7.302 13 HB3 PRO 3 2HB PRO 3 4.034 1.474 -6.321 14 HG2 PRO 3 1HG PRO 3 4.757 2.698 -8.800 15 HG3 PRO 3 2HG PRO 3 5.580 2.738 -7.389 16 HD2 PRO 3 1HD PRO 3 6.257 1.050 -9.248 17 HD3 PRO 3 2HD PRO 3 6.399 0.634 -7.675 18 H THR 4 H THR 4 0.877 0.073 -8.075 19 HA THR 4 HA THR 4 0.569 0.477 -10.839 20 HB THR 4 HB THR 4 -1.873 0.115 -10.284 21 HG1 THR 4 HG1 THR 4 -2.453 0.044 -8.287 22 HG21 THR 4 1HG2 THR 4 -1.584 -2.216 -9.758 23 HG22 THR 4 2HG2 THR 4 -0.051 -1.945 -9.322 24 HG23 THR 4 3HG2 THR 4 -0.487 -1.805 -10.873 25 H PHE 5 H PHE 5 0.675 2.517 -8.293 26 HA PHE 5 HA PHE 5 -1.327 4.287 -8.789 27 HB2 PHE 5 1HB PHE 5 0.061 4.304 -6.807 28 HB3 PHE 5 2HB PHE 5 1.312 4.858 -7.698 29 HD1 PHE 5 HD1 PHE 5 1.525 7.199 -8.249 30 HD2 PHE 5 HD2 PHE 5 -1.818 5.811 -6.208 31 HE1 PHE 5 HE1 PHE 5 0.994 9.465 -7.601 32 HE2 PHE 5 HE2 PHE 5 -2.409 8.080 -5.630 33 HZ PHE 5 HZ PHE 5 -0.986 9.907 -6.308 34 H CYS 6 H CYS 6 1.682 4.092 -10.428 35 HA CYS 6 HA CYS 6 0.947 6.439 -11.904 36 HB2 CYS 6 1HB CYS 6 3.492 5.348 -11.294 37 HB3 CYS 6 2HB CYS 6 3.354 6.293 -12.618 38 H GLN 7 H GLN 7 0.714 3.276 -12.241 39 HA GLN 7 HA GLN 7 1.505 3.002 -14.947 40 HB2 GLN 7 1HB GLN 7 0.096 1.384 -13.095 41 HB3 GLN 7 2HB GLN 7 0.174 0.957 -14.669 42 HG2 GLN 7 1HG GLN 7 2.549 0.881 -14.529 43 HG3 GLN 7 2HG GLN 7 2.469 1.305 -12.954 44 HE21 GLN 7 1HE2 GLN 7 2.351 -1.920 -11.822 45 HE22 GLN 7 2HE2 GLN 7 2.774 -0.265 -11.537 46 H GLY 8 H GLY 8 0.280 3.414 -16.788 47 HA2 GLY 8 1HA GLY 8 -1.666 3.917 -17.895 48 HA3 GLY 8 2HA GLY 8 -2.524 3.803 -16.509 49 H LYS 9 H LYS 9 0.012 5.724 -15.865 50 HA LYS 9 HA LYS 9 -1.454 8.141 -16.472 51 HB2 LYS 9 1HB LYS 9 0.310 7.566 -14.304 52 HB3 LYS 9 2HB LYS 9 -0.027 9.111 -14.710 53 HG2 LYS 9 1HG LYS 9 -2.343 8.654 -14.348 54 HG3 LYS 9 2HG LYS 9 -1.934 7.162 -13.825 55 HD2 LYS 9 1HD LYS 9 -0.509 8.202 -12.238 56 HD3 LYS 9 2HD LYS 9 -1.152 9.635 -12.685 57 HE2 LYS 9 1HE LYS 9 -3.230 9.062 -11.845 58 HE3 LYS 9 2HE LYS 9 -2.794 7.498 -11.670 59 HZ1 LYS 9 1HZ LYS 9 -2.788 8.589 -9.560 60 HZ2 LYS 9 2HZ LYS 9 -1.719 9.669 -10.112 61 HZ3 LYS 9 3HZ LYS 9 -1.287 8.121 -9.938 62 H ALA 10 H ALA 10 -0.370 9.908 -17.456 63 HA ALA 10 HA ALA 10 1.953 9.291 -18.904 64 HB1 ALA 10 1HB ALA 10 0.482 10.963 -19.742 65 HB2 ALA 10 2HB ALA 10 1.934 11.635 -19.508 66 HB3 ALA 10 3HB ALA 10 0.745 11.887 -18.441 67 H ASP 11 H ASP 11 4.145 10.012 -18.481 68 HA ASP 11 HA ASP 11 4.834 10.225 -15.798 69 HB2 ASP 11 1HB ASP 11 6.340 10.625 -18.195 70 HB3 ASP 11 2HB ASP 11 7.020 10.983 -16.754 71 H GLY 12 H GLY 12 5.636 12.089 -14.594 72 HA2 GLY 12 1HA GLY 12 5.908 14.587 -15.061 73 HA3 GLY 12 2HA GLY 12 4.330 14.504 -15.473 74 H LEU 13 H LEU 13 4.276 16.203 -13.649 75 HA LEU 13 HA LEU 13 4.232 14.848 -11.136 76 HB2 LEU 13 1HB LEU 13 4.331 17.698 -11.607 77 HB3 LEU 13 2HB LEU 13 4.362 17.033 -10.116 78 HG LEU 13 HG LEU 13 6.496 17.018 -12.031 79 HD11 LEU 13 1HD1 LEU 13 7.629 18.210 -10.243 80 HD12 LEU 13 2HD1 LEU 13 6.309 18.071 -9.318 81 HD13 LEU 13 3HD1 LEU 13 6.275 18.998 -10.643 82 HD21 LEU 13 1HD2 LEU 13 7.797 15.752 -10.545 83 HD22 LEU 13 2HD2 LEU 13 6.520 14.897 -11.046 84 HD23 LEU 13 3HD2 LEU 13 6.521 15.559 -9.571 85 H TYR 14 H TYR 14 2.538 14.846 -9.700 86 HA TYR 14 HA TYR 14 0.033 15.924 -10.686 87 HB2 TYR 14 1HB TYR 14 0.484 13.335 -9.478 88 HB3 TYR 14 2HB TYR 14 -1.014 13.946 -9.701 89 HD1 TYR 14 HD1 TYR 14 1.861 12.696 -11.411 90 HD2 TYR 14 HD2 TYR 14 -2.107 13.809 -11.864 91 HE1 TYR 14 HE1 TYR 14 1.874 11.787 -13.647 92 HE2 TYR 14 HE2 TYR 14 -2.113 12.871 -14.103 93 HH TYR 14 HH TYR 14 -0.127 10.799 -15.293 94 HA PRO 15 HA PRO 15 -0.063 17.844 -6.835 95 HB2 PRO 15 1HB PRO 15 -2.668 18.228 -6.308 96 HB3 PRO 15 2HB PRO 15 -1.967 19.077 -7.514 97 HG2 PRO 15 1HG PRO 15 -3.452 16.651 -7.729 98 HG3 PRO 15 2HG PRO 15 -3.645 18.020 -8.599 99 HD2 PRO 15 1HD PRO 15 -2.272 16.081 -9.613 100 HD3 PRO 15 2HD PRO 15 -1.768 17.615 -9.859 101 H ASN 16 H ASN 16 -0.067 17.719 -4.714 102 HA ASN 16 HA ASN 16 -0.385 15.061 -3.748 103 HB2 ASN 16 1HB ASN 16 1.024 15.792 -1.966 104 HB3 ASN 16 2HB ASN 16 1.666 16.347 -3.362 105 HD21 ASN 16 1HD2 ASN 16 0.931 18.861 -0.506 106 HD22 ASN 16 2HD2 ASN 16 1.144 17.149 -0.356 107 HA PRO 17 HA PRO 17 -3.877 15.969 -1.503 108 HB2 PRO 17 1HB PRO 17 -3.847 14.387 0.690 109 HB3 PRO 17 2HB PRO 17 -4.045 13.704 -0.780 110 HG2 PRO 17 1HG PRO 17 -1.624 14.002 0.691 111 HG3 PRO 17 2HG PRO 17 -2.199 12.652 -0.026 112 HD2 PRO 17 1HD PRO 17 -0.422 14.084 -1.256 113 HD3 PRO 17 2HD PRO 17 -1.616 13.379 -2.119 114 H ARG 18 H ARG 18 -1.116 16.342 0.586 115 HA ARG 18 HA ARG 18 -2.147 18.828 1.307 116 HB2 ARG 18 1HB ARG 18 -3.358 17.431 2.899 117 HB3 ARG 18 2HB ARG 18 -1.929 16.956 3.530 118 HG2 ARG 18 1HG ARG 18 -1.526 19.230 4.225 119 HG3 ARG 18 2HG ARG 18 -3.015 19.629 3.684 120 HD2 ARG 18 1HD ARG 18 -2.524 17.739 5.803 121 HD3 ARG 18 2HD ARG 18 -3.024 19.275 6.041 122 HE ARG 18 HE ARG 18 -4.855 18.073 4.372 123 HH11 ARG 18 1HH1 ARG 18 -6.805 17.331 5.101 124 HH12 ARG 18 2HH1 ARG 18 -7.045 16.985 6.781 125 HH21 ARG 18 1HH2 ARG 18 -3.862 17.884 7.743 126 HH22 ARG 18 2HH2 ARG 18 -5.407 17.292 8.254 127 H GLU 19 H GLU 19 -0.136 16.836 3.273 128 HA GLU 19 HA GLU 19 1.789 17.350 4.233 129 HB2 GLU 19 1HB GLU 19 2.555 17.345 1.444 130 HB3 GLU 19 2HB GLU 19 3.642 17.151 2.647 131 HG2 GLU 19 1HG GLU 19 3.165 15.029 1.823 132 HG3 GLU 19 2HG GLU 19 2.456 15.132 3.291 133 H ARG 20 H ARG 20 3.304 19.128 1.769 134 HA ARG 20 HA ARG 20 2.834 21.637 2.984 135 HB2 ARG 20 1HB ARG 20 4.666 20.490 4.289 136 HB3 ARG 20 2HB ARG 20 5.606 20.783 2.986 137 HG2 ARG 20 1HG ARG 20 4.308 22.937 4.319 138 HG3 ARG 20 2HG ARG 20 5.724 22.357 4.889 139 HD2 ARG 20 1HD ARG 20 6.786 22.941 2.833 140 HD3 ARG 20 2HD ARG 20 5.370 23.532 2.274 141 HE ARG 20 HE ARG 20 7.107 24.779 4.170 142 HH11 ARG 20 1HH1 ARG 20 3.951 24.919 2.598 143 HH12 ARG 20 2HH1 ARG 20 3.709 26.573 3.051 144 HH21 ARG 20 1HH2 ARG 20 6.713 26.881 4.712 145 HH22 ARG 20 2HH2 ARG 20 5.245 27.662 4.226 146 H SER 21 H SER 21 5.264 20.135 1.022 147 HA SER 21 HA SER 21 4.591 21.754 -1.230 148 HB2 SER 21 1HB SER 21 6.902 22.517 -1.493 149 HB3 SER 21 2HB SER 21 6.156 23.181 -0.201 150 HG SER 21 HG SER 21 7.194 21.801 1.149 151 H SER 22 H SER 22 4.310 19.088 -0.727 152 HA SER 22 HA SER 22 6.394 17.796 -2.211 153 HB2 SER 22 1HB SER 22 5.362 15.724 -1.427 154 HB3 SER 22 2HB SER 22 5.749 16.697 -0.173 155 HG SER 22 HG SER 22 3.260 16.541 -1.342 156 H PHE 23 H PHE 23 5.706 16.038 -3.800 157 HA PHE 23 HA PHE 23 3.150 16.537 -4.975 158 HB2 PHE 23 1HB PHE 23 4.173 16.570 -7.221 159 HB3 PHE 23 2HB PHE 23 4.415 17.924 -6.341 160 HD1 PHE 23 HD1 PHE 23 6.530 18.785 -6.128 161 HD2 PHE 23 HD2 PHE 23 6.100 14.787 -7.146 162 HE1 PHE 23 HE1 PHE 23 8.914 18.612 -6.408 163 HE2 PHE 23 HE2 PHE 23 8.481 14.613 -7.489 164 HZ PHE 23 HZ PHE 23 9.896 16.528 -7.103 165 H TYR 24 H TYR 24 2.647 14.884 -6.713 166 HA TYR 24 HA TYR 24 3.816 12.325 -6.050 167 HB2 TYR 24 1HB TYR 24 1.469 13.015 -7.542 168 HB3 TYR 24 2HB TYR 24 2.087 11.503 -7.586 169 HD1 TYR 24 HD1 TYR 24 2.563 10.646 -4.991 170 HD2 TYR 24 HD2 TYR 24 -0.481 13.150 -6.291 171 HE1 TYR 24 HE1 TYR 24 1.227 10.003 -3.090 172 HE2 TYR 24 HE2 TYR 24 -1.821 12.513 -4.385 173 HH TYR 24 HH TYR 24 -2.080 10.700 -2.792 174 H SER 25 H SER 25 5.222 11.387 -7.642 175 HA SER 25 HA SER 25 5.378 12.796 -10.158 176 HB2 SER 25 1HB SER 25 7.344 13.328 -8.888 177 HB3 SER 25 2HB SER 25 7.646 11.738 -8.669 178 HG SER 25 HG SER 25 8.950 12.407 -10.260 179 H CYS 26 H CYS 26 5.255 11.578 -11.966 180 HA CYS 26 HA CYS 26 5.507 8.719 -11.612 181 HB2 CYS 26 1HB CYS 26 4.030 10.132 -13.581 182 HB3 CYS 26 2HB CYS 26 4.230 8.511 -13.579 183 H ALA 27 H ALA 27 7.242 7.769 -12.550 184 HA ALA 27 HA ALA 27 8.425 8.994 -14.873 185 HB1 ALA 27 1HB ALA 27 9.754 9.872 -13.096 186 HB2 ALA 27 2HB ALA 27 10.647 8.820 -13.938 187 HB3 ALA 27 3HB ALA 27 10.008 8.384 -12.518 188 H ALA 28 H ALA 28 8.659 7.424 -16.410 189 HA ALA 28 HA ALA 28 8.530 5.406 -17.290 190 HB1 ALA 28 1HB ALA 28 10.791 5.140 -16.442 191 HB2 ALA 28 2HB ALA 28 10.063 3.697 -16.487 192 HB3 ALA 28 3HB ALA 28 10.211 4.484 -15.082 193 H GLY 29 H GLY 29 6.384 6.143 -15.602 194 HA2 GLY 29 1HA GLY 29 4.478 5.145 -14.922 195 HA3 GLY 29 2HA GLY 29 5.059 3.690 -15.381 196 H ARG 30 H ARG 30 7.098 5.209 -13.218 197 HA ARG 30 HA ARG 30 6.123 3.533 -11.077 198 HB2 ARG 30 1HB ARG 30 8.759 4.680 -11.063 199 HB3 ARG 30 2HB ARG 30 8.252 3.365 -10.239 200 HG2 ARG 30 1HG ARG 30 8.791 3.447 -13.061 201 HG3 ARG 30 2HG ARG 30 9.727 2.716 -11.941 202 HD2 ARG 30 1HD ARG 30 8.144 1.045 -11.611 203 HD3 ARG 30 2HD ARG 30 7.042 1.841 -12.515 204 HE ARG 30 HE ARG 30 8.073 1.195 -14.472 205 HH11 ARG 30 1HH1 ARG 30 9.840 0.008 -11.664 206 HH12 ARG 30 2HH1 ARG 30 10.809 -1.058 -12.626 207 HH21 ARG 30 1HH2 ARG 30 9.360 -0.166 -15.621 208 HH22 ARG 30 2HH2 ARG 30 10.540 -1.153 -14.827 209 H LEU 31 H LEU 31 5.997 4.393 -8.906 210 HA LEU 31 HA LEU 31 5.490 7.184 -8.961 211 HB2 LEU 31 1HB LEU 31 3.828 5.874 -7.906 212 HB3 LEU 31 2HB LEU 31 4.943 5.165 -6.947 213 HG LEU 31 HG LEU 31 5.165 7.199 -5.722 214 HD11 LEU 31 1HD1 LEU 31 3.669 9.018 -6.049 215 HD12 LEU 31 2HD1 LEU 31 3.055 8.288 -7.354 216 HD13 LEU 31 3HD1 LEU 31 4.589 8.800 -7.361 217 HD21 LEU 31 1HD2 LEU 31 3.039 7.062 -4.591 218 HD22 LEU 31 2HD2 LEU 31 3.593 5.578 -4.916 219 HD23 LEU 31 3HD2 LEU 31 2.432 6.227 -5.835 220 H PHE 32 H PHE 32 6.781 8.738 -8.235 221 HA PHE 32 HA PHE 32 8.551 8.088 -6.031 222 HB2 PHE 32 1HB PHE 32 9.009 9.998 -8.123 223 HB3 PHE 32 2HB PHE 32 9.906 9.952 -6.759 224 HD1 PHE 32 HD1 PHE 32 9.003 7.949 -9.623 225 HD2 PHE 32 HD2 PHE 32 11.800 8.537 -6.608 226 HE1 PHE 32 HE1 PHE 32 10.452 6.340 -10.677 227 HE2 PHE 32 HE2 PHE 32 13.265 6.916 -7.642 228 HZ PHE 32 HZ PHE 32 12.592 5.818 -9.689 229 H GLN 33 H GLN 33 8.086 9.300 -4.125 230 HA GLN 33 HA GLN 33 6.216 11.528 -4.443 231 HB2 GLN 33 1HB GLN 33 6.556 9.858 -2.147 232 HB3 GLN 33 2HB GLN 33 5.577 11.163 -2.205 233 HG2 GLN 33 1HG GLN 33 4.248 10.074 -3.870 234 HG3 GLN 33 2HG GLN 33 5.212 8.760 -3.765 235 HE21 GLN 33 1HE2 GLN 33 3.578 7.321 -1.112 236 HE22 GLN 33 2HE2 GLN 33 4.759 7.167 -2.370 237 H GLN 34 H GLN 34 7.298 13.464 -4.351 238 HA GLN 34 HA GLN 34 9.636 13.632 -2.683 239 HB2 GLN 34 1HB GLN 34 9.646 14.219 -5.515 240 HB3 GLN 34 2HB GLN 34 10.875 14.639 -4.524 241 HG2 GLN 34 1HG GLN 34 11.274 12.317 -4.100 242 HG3 GLN 34 2HG GLN 34 10.112 11.947 -5.187 243 HE21 GLN 34 1HE2 GLN 34 12.017 12.656 -8.048 244 HE22 GLN 34 2HE2 GLN 34 10.396 12.578 -7.440 245 H SER 35 H SER 35 10.561 16.020 -2.781 246 HA SER 35 HA SER 35 8.273 17.738 -2.838 247 HB2 SER 35 1HB SER 35 9.207 18.896 -0.861 248 HB3 SER 35 2HB SER 35 8.919 17.323 -0.530 249 HG SER 35 HG SER 35 10.919 17.827 0.205 250 H CYS 36 H CYS 36 8.522 20.018 -3.038 251 HA CYS 36 HA CYS 36 10.907 20.793 -4.497 252 HB2 CYS 36 1HB CYS 36 8.306 20.839 -5.286 253 HB3 CYS 36 2HB CYS 36 8.875 22.369 -5.236 254 HA PRO 37 HA PRO 37 9.918 23.376 -1.011 255 HB2 PRO 37 1HB PRO 37 11.997 23.113 0.679 256 HB3 PRO 37 2HB PRO 37 10.909 21.898 0.585 257 HG2 PRO 37 1HG PRO 37 13.456 22.073 -0.696 258 HG3 PRO 37 2HG PRO 37 12.782 20.769 0.019 259 HD2 PRO 37 1HD PRO 37 12.727 21.144 -2.609 260 HD3 PRO 37 2HD PRO 37 11.630 20.217 -1.832 261 H THR 38 H THR 38 13.336 23.711 -1.709 262 HA THR 38 HA THR 38 13.104 26.403 -1.005 263 HB THR 38 HB THR 38 15.580 26.249 -1.909 264 HG1 THR 38 HG1 THR 38 15.464 23.658 -1.261 265 HG21 THR 38 1HG2 THR 38 16.278 25.388 0.212 266 HG22 THR 38 2HG2 THR 38 14.783 24.847 0.503 267 HG23 THR 38 3HG2 THR 38 15.071 26.437 0.454 268 H GLY 39 H GLY 39 12.202 27.913 -2.266 269 HA2 GLY 39 1HA GLY 39 12.280 29.322 -4.033 270 HA3 GLY 39 2HA GLY 39 13.613 28.562 -4.591 271 H LEU 40 H LEU 40 10.892 26.595 -4.139 272 HA LEU 40 HA LEU 40 10.543 26.510 -6.998 273 HB2 LEU 40 1HB LEU 40 10.806 24.293 -5.151 274 HB3 LEU 40 2HB LEU 40 10.318 24.066 -6.693 275 HG LEU 40 HG LEU 40 12.873 25.245 -6.267 276 HD11 LEU 40 1HD1 LEU 40 13.913 23.081 -6.104 277 HD12 LEU 40 2HD1 LEU 40 12.456 22.382 -6.053 278 HD13 LEU 40 3HD1 LEU 40 12.943 23.326 -4.834 279 HD21 LEU 40 1HD2 LEU 40 13.396 24.142 -8.331 280 HD22 LEU 40 2HD2 LEU 40 12.085 25.070 -8.513 281 HD23 LEU 40 3HD2 LEU 40 11.925 23.470 -8.348 282 H VAL 41 H VAL 41 8.556 25.894 -7.907 283 HA VAL 41 HA VAL 41 6.408 25.603 -6.053 284 HB VAL 41 HB VAL 41 5.002 27.179 -7.401 285 HG11 VAL 41 1HG1 VAL 41 5.864 29.181 -6.376 286 HG12 VAL 41 2HG1 VAL 41 7.248 28.416 -6.038 287 HG13 VAL 41 3HG1 VAL 41 5.876 27.963 -5.312 288 HG21 VAL 41 1HG2 VAL 41 6.125 28.752 -8.839 289 HG22 VAL 41 2HG2 VAL 41 6.324 27.249 -9.403 290 HG23 VAL 41 3HG2 VAL 41 7.525 27.978 -8.602 291 H PHE 42 H PHE 42 4.520 24.420 -6.852 292 HA PHE 42 HA PHE 42 5.168 22.884 -9.172 293 HB2 PHE 42 1HB PHE 42 4.421 21.561 -7.400 294 HB3 PHE 42 2HB PHE 42 3.105 22.503 -7.180 295 HD1 PHE 42 HD1 PHE 42 4.421 20.791 -10.128 296 HD2 PHE 42 HD2 PHE 42 1.150 21.282 -7.605 297 HE1 PHE 42 HE1 PHE 42 3.096 19.399 -11.581 298 HE2 PHE 42 HE2 PHE 42 -0.161 19.820 -9.020 299 HZ PHE 42 HZ PHE 42 0.819 18.882 -11.016 300 H SER 43 H SER 43 4.256 23.107 -11.164 301 HA SER 43 HA SER 43 1.891 24.763 -11.326 302 HB2 SER 43 1HB SER 43 3.659 25.824 -12.483 303 HB3 SER 43 2HB SER 43 3.971 24.461 -13.325 304 HG SER 43 HG SER 43 2.791 25.425 -14.738 305 H ASN 44 H ASN 44 0.106 23.487 -11.521 306 HA ASN 44 HA ASN 44 0.316 20.900 -12.447 307 HB2 ASN 44 1HB ASN 44 -1.470 21.610 -10.986 308 HB3 ASN 44 2HB ASN 44 -2.125 22.461 -12.217 309 HD21 ASN 44 1HD2 ASN 44 -4.201 19.883 -13.092 310 HD22 ASN 44 2HD2 ASN 44 -3.973 21.582 -12.843 311 H SER 45 H SER 45 -0.344 23.803 -14.137 312 HA SER 45 HA SER 45 -1.352 22.606 -16.452 313 HB2 SER 45 1HB SER 45 -0.722 24.819 -17.465 314 HB3 SER 45 2HB SER 45 -1.778 24.893 -16.222 315 HG SER 45 HG SER 45 -0.355 25.746 -14.954 316 H CYS 46 H CYS 46 1.830 23.402 -15.385 317 HA CYS 46 HA CYS 46 3.082 22.633 -17.793 318 HB2 CYS 46 1HB CYS 46 4.056 24.172 -16.306 319 HB3 CYS 46 2HB CYS 46 4.163 23.005 -15.169 320 H LYS 47 H LYS 47 1.872 21.088 -15.108 321 HA LYS 47 HA LYS 47 2.080 19.030 -14.209 322 HB2 LYS 47 1HB LYS 47 1.785 18.534 -16.763 323 HB3 LYS 47 2HB LYS 47 3.166 17.718 -16.455 324 HG2 LYS 47 1HG LYS 47 1.406 16.234 -16.264 325 HG3 LYS 47 2HG LYS 47 2.002 16.489 -14.765 326 HD2 LYS 47 1HD LYS 47 0.238 18.078 -14.372 327 HD3 LYS 47 2HD LYS 47 -0.380 17.721 -15.840 328 HE2 LYS 47 1HE LYS 47 -0.849 15.542 -15.159 329 HE3 LYS 47 2HE LYS 47 -0.113 15.800 -13.724 330 HZ1 LYS 47 1HZ LYS 47 -2.466 16.031 -13.488 331 HZ2 LYS 47 2HZ LYS 47 -2.471 17.191 -14.614 332 HZ3 LYS 47 3HZ LYS 47 -1.742 17.447 -13.194 333 H CYS 48 H CYS 48 4.177 20.909 -14.016 334 HA CYS 48 HA CYS 48 6.354 19.192 -13.383 335 HB2 CYS 48 1HB CYS 48 7.892 20.227 -14.643 336 HB3 CYS 48 2HB CYS 48 6.601 20.112 -15.636 337 H CYS 49 H CYS 49 8.134 20.368 -12.156 338 HA CYS 49 HA CYS 49 6.974 22.428 -10.480 339 HB2 CYS 49 1HB CYS 49 7.804 20.544 -9.388 340 HB3 CYS 49 2HB CYS 49 9.275 20.817 -10.043 341 H THR 50 H THR 50 7.836 24.523 -10.554 342 HA THR 50 HA THR 50 10.075 24.825 -12.319 343 HB THR 50 HB THR 50 9.100 27.054 -12.936 344 HG1 THR 50 HG1 THR 50 6.697 26.905 -12.336 345 HG21 THR 50 1HG2 THR 50 7.357 26.209 -14.338 346 HG22 THR 50 2HG2 THR 50 7.311 24.836 -13.486 347 HG23 THR 50 3HG2 THR 50 8.605 25.182 -14.393 348 H TRP 51 H TRP 51 11.490 26.720 -11.967 349 HA TRP 51 HA TRP 51 11.933 27.238 -9.241 350 HB2 TRP 51 1HB TRP 51 13.624 27.293 -11.025 351 HB3 TRP 51 2HB TRP 51 13.056 28.781 -11.384 352 HD1 TRP 51 HD1 TRP 51 14.424 27.110 -8.303 353 HE1 TRP 51 HE1 TRP 51 15.853 28.659 -6.949 354 HE3 TRP 51 HE3 TRP 51 13.824 31.166 -11.170 355 HZ2 TRP 51 HZ2 TRP 51 16.625 31.359 -7.201 356 HZ3 TRP 51 HZ3 TRP 51 14.954 33.213 -10.549 357 HH2 TRP 51 HH2 TRP 51 16.344 33.296 -8.577 358 H ASN 52 H ASN 52 11.235 28.942 -7.973 359 HA ASN 52 HA ASN 52 8.978 30.299 -8.899 360 HB2 ASN 52 1HB ASN 52 9.357 29.625 -6.573 361 HB3 ASN 52 2HB ASN 52 10.412 30.865 -6.448 362 HD21 ASN 52 1HD2 ASN 52 7.736 32.583 -5.050 363 HD22 ASN 52 2HD2 ASN 52 9.188 31.705 -4.702 364 H GLY 53 H GLY 53 8.625 32.580 -9.230 365 HA2 GLY 53 1HA GLY 53 9.415 34.722 -9.531 366 HA3 GLY 53 2HA GLY 53 10.952 34.232 -9.273 367 H LEU 54 H LEU 54 9.348 32.289 -11.431 368 HA LEU 54 HA LEU 54 10.898 32.943 -13.610 369 HB2 LEU 54 1HB LEU 54 9.766 30.875 -13.386 370 HB3 LEU 54 2HB LEU 54 8.344 31.636 -13.643 371 HG LEU 54 HG LEU 54 8.948 32.077 -15.880 372 HD11 LEU 54 1HD1 LEU 54 10.962 31.261 -16.867 373 HD12 LEU 54 2HD1 LEU 54 11.476 30.738 -15.425 374 HD13 LEU 54 3HD1 LEU 54 11.322 32.324 -15.702 375 HD21 LEU 54 1HD2 LEU 54 8.957 29.786 -16.613 376 HD22 LEU 54 2HD2 LEU 54 7.938 29.966 -15.371 377 HD23 LEU 54 3HD2 LEU 54 9.400 29.320 -15.130 378 H VAL 55 H VAL 55 10.875 34.655 -14.986 379 HA VAL 55 HA VAL 55 8.709 36.477 -14.798 380 HB VAL 55 HB VAL 55 11.091 36.689 -16.461 381 HG11 VAL 55 1HG1 VAL 55 10.594 39.034 -16.655 382 HG12 VAL 55 2HG1 VAL 55 9.232 38.819 -15.809 383 HG13 VAL 55 3HG1 VAL 55 9.385 38.158 -17.277 384 HG21 VAL 55 1HG2 VAL 55 11.973 38.147 -14.736 385 HG22 VAL 55 2HG2 VAL 55 11.682 36.682 -14.117 386 HG23 VAL 55 3HG2 VAL 55 10.649 37.895 -13.844 387 HA PRO 56 HA PRO 56 6.893 34.497 -18.258 388 HB2 PRO 56 1HB PRO 56 4.574 35.812 -18.490 389 HB3 PRO 56 2HB PRO 56 4.783 34.848 -17.187 390 HG2 PRO 56 1HG PRO 56 5.217 37.665 -17.354 391 HG3 PRO 56 2HG PRO 56 4.344 36.857 -16.236 392 HD2 PRO 56 1HD PRO 56 6.803 37.527 -15.703 393 HD3 PRO 56 2HD PRO 56 6.220 36.106 -15.148 394 H ARG 57 H ARG 57 7.824 37.630 -18.276 395 HA ARG 57 HA ARG 57 8.392 39.039 -19.883 396 HB2 ARG 57 1HB ARG 57 8.422 36.832 -21.748 397 HB3 ARG 57 2HB ARG 57 9.138 38.276 -22.013 398 HG2 ARG 57 1HG ARG 57 9.957 36.439 -19.963 399 HG3 ARG 57 2HG ARG 57 10.708 36.594 -21.405 400 HD2 ARG 57 1HD ARG 57 11.236 38.870 -20.857 401 HD3 ARG 57 2HD ARG 57 10.544 38.659 -19.393 402 HE ARG 57 HE ARG 57 12.350 37.474 -18.629 403 HH11 ARG 57 1HH1 ARG 57 12.702 38.185 -22.062 404 HH12 ARG 57 2HH1 ARG 57 14.368 37.711 -22.072 405 HH21 ARG 57 1HH2 ARG 57 14.475 36.898 -18.726 406 HH22 ARG 57 2HH2 ARG 57 15.352 36.996 -20.216 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 7.767 -5.827 -5.303 2 H2 GLY 1 2H GLY 1 7.683 -4.344 -4.663 3 H3 GLY 1 3H GLY 1 8.453 -4.578 -6.066 4 HA2 GLY 1 1HA GLY 1 6.404 -5.143 -7.105 5 HA3 GLY 1 2HA GLY 1 5.627 -4.907 -5.688 6 H SER 2 H SER 2 4.338 -3.420 -7.236 7 HA SER 2 HA SER 2 5.349 -0.770 -6.797 8 HB2 SER 2 1HB SER 2 6.150 -1.220 -9.018 9 HB3 SER 2 2HB SER 2 4.632 -1.591 -9.492 10 HG SER 2 HG SER 2 4.848 0.407 -10.147 11 HA PRO 3 HA PRO 3 1.010 -0.549 -6.208 12 HB2 PRO 3 1HB PRO 3 0.554 2.034 -5.812 13 HB3 PRO 3 2HB PRO 3 1.402 1.228 -4.672 14 HG2 PRO 3 1HG PRO 3 2.429 2.809 -6.817 15 HG3 PRO 3 2HG PRO 3 2.834 2.890 -5.237 16 HD2 PRO 3 1HD PRO 3 4.323 1.541 -6.897 17 HD3 PRO 3 2HD PRO 3 4.143 1.025 -5.357 18 H THR 4 H THR 4 -1.009 0.159 -7.122 19 HA THR 4 HA THR 4 -0.756 0.426 -9.911 20 HB THR 4 HB THR 4 -3.290 0.425 -9.793 21 HG1 THR 4 HG1 THR 4 -4.216 0.518 -7.929 22 HG21 THR 4 1HG2 THR 4 -3.424 -1.880 -9.149 23 HG22 THR 4 2HG2 THR 4 -1.968 -1.791 -8.454 24 HG23 THR 4 3HG2 THR 4 -2.104 -1.682 -10.061 25 H PHE 5 H PHE 5 -0.402 2.591 -7.667 26 HA PHE 5 HA PHE 5 -2.104 4.640 -8.219 27 HB2 PHE 5 1HB PHE 5 -0.598 4.464 -6.314 28 HB3 PHE 5 2HB PHE 5 0.641 4.864 -7.301 29 HD1 PHE 5 HD1 PHE 5 1.110 7.137 -7.860 30 HD2 PHE 5 HD2 PHE 5 -2.308 6.168 -5.695 31 HE1 PHE 5 HE1 PHE 5 0.858 9.458 -7.252 32 HE2 PHE 5 HE2 PHE 5 -2.615 8.488 -5.124 33 HZ PHE 5 HZ PHE 5 -1.018 10.146 -5.899 34 H CYS 6 H CYS 6 1.014 4.106 -9.702 35 HA CYS 6 HA CYS 6 0.458 6.290 -11.468 36 HB2 CYS 6 1HB CYS 6 2.849 4.901 -10.852 37 HB3 CYS 6 2HB CYS 6 2.778 5.752 -12.244 38 H GLN 7 H GLN 7 -0.210 3.152 -11.490 39 HA GLN 7 HA GLN 7 0.582 2.464 -14.108 40 HB2 GLN 7 1HB GLN 7 -1.194 1.294 -12.212 41 HB3 GLN 7 2HB GLN 7 -0.965 0.637 -13.689 42 HG2 GLN 7 1HG GLN 7 1.368 0.356 -13.176 43 HG3 GLN 7 2HG GLN 7 1.094 0.950 -11.680 44 HE21 GLN 7 1HE2 GLN 7 0.852 -2.280 -10.506 45 HE22 GLN 7 2HE2 GLN 7 1.716 -0.779 -10.464 46 H GLY 8 H GLY 8 -0.495 2.766 -16.040 47 HA2 GLY 8 1HA GLY 8 -2.259 3.397 -17.341 48 HA3 GLY 8 2HA GLY 8 -3.225 3.508 -16.029 49 H LYS 9 H LYS 9 -0.379 5.220 -15.685 50 HA LYS 9 HA LYS 9 -1.717 7.688 -16.382 51 HB2 LYS 9 1HB LYS 9 -0.094 7.117 -14.115 52 HB3 LYS 9 2HB LYS 9 -0.053 8.638 -14.708 53 HG2 LYS 9 1HG LYS 9 -1.649 8.805 -13.162 54 HG3 LYS 9 2HG LYS 9 -2.535 8.515 -14.503 55 HD2 LYS 9 1HD LYS 9 -2.740 6.289 -13.967 56 HD3 LYS 9 2HD LYS 9 -1.674 6.440 -12.739 57 HE2 LYS 9 1HE LYS 9 -3.255 7.822 -11.594 58 HE3 LYS 9 2HE LYS 9 -4.329 7.530 -12.790 59 HZ1 LYS 9 1HZ LYS 9 -4.659 5.981 -11.001 60 HZ2 LYS 9 2HZ LYS 9 -3.128 5.481 -11.149 61 HZ3 LYS 9 3HZ LYS 9 -4.191 5.192 -12.333 62 H ALA 10 H ALA 10 -0.433 9.386 -17.281 63 HA ALA 10 HA ALA 10 1.746 8.487 -18.846 64 HB1 ALA 10 1HB ALA 10 0.363 10.204 -19.743 65 HB2 ALA 10 2HB ALA 10 1.863 10.789 -19.590 66 HB3 ALA 10 3HB ALA 10 0.727 11.183 -18.508 67 H ASP 11 H ASP 11 3.999 9.241 -18.575 68 HA ASP 11 HA ASP 11 4.771 9.507 -15.912 69 HB2 ASP 11 1HB ASP 11 6.239 9.773 -18.355 70 HB3 ASP 11 2HB ASP 11 6.956 10.181 -16.945 71 H GLY 12 H GLY 12 5.607 11.385 -14.782 72 HA2 GLY 12 1HA GLY 12 5.945 13.863 -15.353 73 HA3 GLY 12 2HA GLY 12 4.354 13.806 -15.718 74 H LEU 13 H LEU 13 4.466 15.579 -13.917 75 HA LEU 13 HA LEU 13 4.538 14.328 -11.356 76 HB2 LEU 13 1HB LEU 13 4.291 17.144 -11.943 77 HB3 LEU 13 2HB LEU 13 4.459 16.543 -10.434 78 HG LEU 13 HG LEU 13 6.500 16.635 -12.450 79 HD11 LEU 13 1HD1 LEU 13 7.613 18.089 -10.848 80 HD12 LEU 13 2HD1 LEU 13 6.359 17.932 -9.839 81 HD13 LEU 13 3HD1 LEU 13 6.175 18.714 -11.242 82 HD21 LEU 13 1HD2 LEU 13 7.987 15.622 -10.896 83 HD22 LEU 13 2HD2 LEU 13 6.782 14.609 -11.267 84 HD23 LEU 13 3HD2 LEU 13 6.764 15.406 -9.860 85 H TYR 14 H TYR 14 2.848 14.563 -9.748 86 HA TYR 14 HA TYR 14 0.268 15.355 -10.798 87 HB2 TYR 14 1HB TYR 14 0.811 12.837 -9.524 88 HB3 TYR 14 2HB TYR 14 -0.706 13.422 -9.682 89 HD1 TYR 14 HD1 TYR 14 2.041 12.014 -11.455 90 HD2 TYR 14 HD2 TYR 14 -1.840 13.416 -11.876 91 HE1 TYR 14 HE1 TYR 14 1.967 11.115 -13.696 92 HE2 TYR 14 HE2 TYR 14 -1.927 12.497 -14.115 93 HH TYR 14 HH TYR 14 -0.103 10.283 -15.328 94 HA PRO 15 HA PRO 15 0.233 17.570 -7.191 95 HB2 PRO 15 1HB PRO 15 -2.373 17.936 -6.570 96 HB3 PRO 15 2HB PRO 15 -1.746 18.691 -7.876 97 HG2 PRO 15 1HG PRO 15 -3.159 16.211 -7.811 98 HG3 PRO 15 2HG PRO 15 -3.429 17.487 -8.794 99 HD2 PRO 15 1HD PRO 15 -2.034 15.515 -9.691 100 HD3 PRO 15 2HD PRO 15 -1.570 17.034 -10.073 101 H ASN 16 H ASN 16 0.435 17.695 -5.122 102 HA ASN 16 HA ASN 16 0.216 15.236 -3.754 103 HB2 ASN 16 1HB ASN 16 1.511 16.318 -2.091 104 HB3 ASN 16 2HB ASN 16 2.144 16.687 -3.551 105 HD21 ASN 16 1HD2 ASN 16 1.198 19.553 -1.136 106 HD22 ASN 16 2HD2 ASN 16 1.522 17.903 -0.723 107 HA PRO 17 HA PRO 17 -3.361 16.266 -1.779 108 HB2 PRO 17 1HB PRO 17 -3.586 14.529 0.267 109 HB3 PRO 17 2HB PRO 17 -3.426 13.901 -1.232 110 HG2 PRO 17 1HG PRO 17 -1.358 14.363 0.693 111 HG3 PRO 17 2HG PRO 17 -1.641 12.993 -0.150 112 HD2 PRO 17 1HD PRO 17 0.161 14.729 -0.958 113 HD3 PRO 17 2HD PRO 17 -0.659 13.812 -2.032 114 H ARG 18 H ARG 18 -0.794 16.885 0.373 115 HA ARG 18 HA ARG 18 -2.587 18.494 1.869 116 HB2 ARG 18 1HB ARG 18 -0.785 16.529 3.092 117 HB3 ARG 18 2HB ARG 18 -1.581 17.624 4.007 118 HG2 ARG 18 1HG ARG 18 -3.614 16.601 3.539 119 HG3 ARG 18 2HG ARG 18 -2.892 15.573 2.495 120 HD2 ARG 18 1HD ARG 18 -1.675 14.592 4.259 121 HD3 ARG 18 2HD ARG 18 -2.304 15.666 5.316 122 HE ARG 18 HE ARG 18 -4.421 14.337 4.157 123 HH11 ARG 18 1HH1 ARG 18 -5.493 12.707 5.184 124 HH12 ARG 18 2HH1 ARG 18 -4.747 11.833 6.480 125 HH21 ARG 18 1HH2 ARG 18 -1.804 13.614 6.391 126 HH22 ARG 18 2HH2 ARG 18 -2.693 12.337 7.152 127 H GLU 19 H GLU 19 0.658 17.845 1.190 128 HA GLU 19 HA GLU 19 1.693 19.788 2.919 129 HB2 GLU 19 1HB GLU 19 3.100 18.462 0.768 130 HB3 GLU 19 2HB GLU 19 3.799 19.142 2.078 131 HG2 GLU 19 1HG GLU 19 3.916 16.890 2.480 132 HG3 GLU 19 2HG GLU 19 2.677 17.401 3.413 133 H ARG 20 H ARG 20 3.504 21.394 1.920 134 HA ARG 20 HA ARG 20 1.966 23.085 0.303 135 HB2 ARG 20 1HB ARG 20 3.703 23.677 2.093 136 HB3 ARG 20 2HB ARG 20 4.733 23.687 0.825 137 HG2 ARG 20 1HG ARG 20 2.485 25.456 1.160 138 HG3 ARG 20 2HG ARG 20 4.056 25.885 1.295 139 HD2 ARG 20 1HD ARG 20 4.340 25.449 -1.051 140 HD3 ARG 20 2HD ARG 20 2.742 25.129 -1.160 141 HE ARG 20 HE ARG 20 2.214 27.357 -1.048 142 HH11 ARG 20 1HH1 ARG 20 5.679 26.893 -0.568 143 HH12 ARG 20 2HH1 ARG 20 6.011 28.580 -0.780 144 HH21 ARG 20 1HH2 ARG 20 2.727 29.476 -1.312 145 HH22 ARG 20 2HH2 ARG 20 4.369 30.014 -1.194 146 H SER 21 H SER 21 5.247 21.979 -0.270 147 HA SER 21 HA SER 21 4.723 22.312 -3.061 148 HB2 SER 21 1HB SER 21 7.332 22.630 -1.741 149 HB3 SER 21 2HB SER 21 7.102 22.910 -3.334 150 HG SER 21 HG SER 21 7.139 24.801 -2.109 151 H SER 22 H SER 22 4.670 19.762 -1.379 152 HA SER 22 HA SER 22 6.655 18.213 -2.675 153 HB2 SER 22 1HB SER 22 5.670 16.320 -1.569 154 HB3 SER 22 2HB SER 22 5.829 17.541 -0.495 155 HG SER 22 HG SER 22 3.514 17.218 -1.913 156 H PHE 23 H PHE 23 5.927 16.133 -3.944 157 HA PHE 23 HA PHE 23 3.469 16.434 -5.262 158 HB2 PHE 23 1HB PHE 23 4.475 16.406 -7.527 159 HB3 PHE 23 2HB PHE 23 4.649 17.823 -6.733 160 HD1 PHE 23 HD1 PHE 23 6.722 18.813 -6.608 161 HD2 PHE 23 HD2 PHE 23 6.502 14.744 -7.389 162 HE1 PHE 23 HE1 PHE 23 9.113 18.755 -6.949 163 HE2 PHE 23 HE2 PHE 23 8.878 14.679 -7.759 164 HZ PHE 23 HZ PHE 23 10.194 16.676 -7.525 165 H TYR 24 H TYR 24 3.038 14.653 -6.877 166 HA TYR 24 HA TYR 24 4.418 12.230 -6.118 167 HB2 TYR 24 1HB TYR 24 2.008 12.574 -7.651 168 HB3 TYR 24 2HB TYR 24 2.707 11.121 -7.395 169 HD1 TYR 24 HD1 TYR 24 2.948 10.394 -4.895 170 HD2 TYR 24 HD2 TYR 24 0.280 13.264 -6.248 171 HE1 TYR 24 HE1 TYR 24 1.593 10.056 -2.924 172 HE2 TYR 24 HE2 TYR 24 -1.078 12.933 -4.278 173 HH TYR 24 HH TYR 24 -1.557 11.271 -2.586 174 H SER 25 H SER 25 5.535 11.068 -7.849 175 HA SER 25 HA SER 25 5.542 12.393 -10.403 176 HB2 SER 25 1HB SER 25 7.617 12.960 -9.330 177 HB3 SER 25 2HB SER 25 7.949 11.372 -9.142 178 HG SER 25 HG SER 25 9.041 11.934 -10.896 179 H CYS 26 H CYS 26 5.130 11.010 -12.072 180 HA CYS 26 HA CYS 26 5.355 8.186 -11.492 181 HB2 CYS 26 1HB CYS 26 3.867 9.460 -13.536 182 HB3 CYS 26 2HB CYS 26 3.992 7.841 -13.356 183 H ALA 27 H ALA 27 7.034 7.092 -12.434 184 HA ALA 27 HA ALA 27 8.180 8.150 -14.863 185 HB1 ALA 27 1HB ALA 27 9.594 9.044 -13.152 186 HB2 ALA 27 2HB ALA 27 10.422 7.929 -13.980 187 HB3 ALA 27 3HB ALA 27 9.808 7.567 -12.528 188 H ALA 28 H ALA 28 8.311 6.543 -16.345 189 HA ALA 28 HA ALA 28 8.025 4.503 -17.163 190 HB1 ALA 28 1HB ALA 28 10.264 4.081 -16.359 191 HB2 ALA 28 2HB ALA 28 9.416 2.705 -16.322 192 HB3 ALA 28 3HB ALA 28 9.670 3.535 -14.957 193 H GLY 29 H GLY 29 5.978 5.493 -15.467 194 HA2 GLY 29 1HA GLY 29 4.029 4.712 -14.654 195 HA3 GLY 29 2HA GLY 29 4.444 3.195 -15.094 196 H ARG 30 H ARG 30 6.744 4.482 -13.086 197 HA ARG 30 HA ARG 30 5.724 2.976 -10.841 198 HB2 ARG 30 1HB ARG 30 8.426 3.959 -11.106 199 HB3 ARG 30 2HB ARG 30 7.916 2.813 -10.061 200 HG2 ARG 30 1HG ARG 30 8.168 2.467 -12.900 201 HG3 ARG 30 2HG ARG 30 9.169 1.828 -11.778 202 HD2 ARG 30 1HD ARG 30 7.475 0.389 -11.015 203 HD3 ARG 30 2HD ARG 30 6.380 1.103 -11.994 204 HE ARG 30 HE ARG 30 7.153 -0.043 -13.813 205 HH11 ARG 30 1HH1 ARG 30 9.251 -0.627 -11.039 206 HH12 ARG 30 2HH1 ARG 30 10.087 -1.914 -11.843 207 HH21 ARG 30 1HH2 ARG 30 8.277 -1.682 -14.764 208 HH22 ARG 30 2HH2 ARG 30 9.545 -2.499 -13.912 209 H LEU 31 H LEU 31 5.695 3.888 -8.705 210 HA LEU 31 HA LEU 31 5.282 6.687 -8.848 211 HB2 LEU 31 1HB LEU 31 3.613 5.439 -7.716 212 HB3 LEU 31 2HB LEU 31 4.732 4.794 -6.717 213 HG LEU 31 HG LEU 31 4.963 6.889 -5.622 214 HD11 LEU 31 1HD1 LEU 31 3.503 8.714 -6.105 215 HD12 LEU 31 2HD1 LEU 31 2.884 7.897 -7.356 216 HD13 LEU 31 3HD1 LEU 31 4.426 8.382 -7.390 217 HD21 LEU 31 1HD2 LEU 31 2.822 6.883 -4.518 218 HD22 LEU 31 2HD2 LEU 31 3.337 5.366 -4.739 219 HD23 LEU 31 3HD2 LEU 31 2.207 5.986 -5.716 220 H PHE 32 H PHE 32 6.588 8.244 -8.193 221 HA PHE 32 HA PHE 32 8.420 7.640 -6.031 222 HB2 PHE 32 1HB PHE 32 8.818 9.463 -8.211 223 HB3 PHE 32 2HB PHE 32 9.747 9.499 -6.868 224 HD1 PHE 32 HD1 PHE 32 8.814 7.350 -9.615 225 HD2 PHE 32 HD2 PHE 32 11.659 8.114 -6.686 226 HE1 PHE 32 HE1 PHE 32 10.253 5.692 -10.603 227 HE2 PHE 32 HE2 PHE 32 13.101 6.424 -7.636 228 HZ PHE 32 HZ PHE 32 12.408 5.224 -9.615 229 H GLN 33 H GLN 33 8.052 8.912 -4.156 230 HA GLN 33 HA GLN 33 6.258 11.201 -4.456 231 HB2 GLN 33 1HB GLN 33 6.669 9.519 -2.170 232 HB3 GLN 33 2HB GLN 33 5.820 10.912 -2.110 233 HG2 GLN 33 1HG GLN 33 4.014 9.927 -2.835 234 HG3 GLN 33 2HG GLN 33 4.817 9.245 -4.083 235 HE21 GLN 33 1HE2 GLN 33 3.709 7.047 -0.995 236 HE22 GLN 33 2HE2 GLN 33 3.242 8.698 -1.231 237 H GLN 34 H GLN 34 7.285 13.194 -4.218 238 HA GLN 34 HA GLN 34 9.714 13.169 -2.721 239 HB2 GLN 34 1HB GLN 34 9.552 14.264 -5.412 240 HB3 GLN 34 2HB GLN 34 10.875 14.411 -4.466 241 HG2 GLN 34 1HG GLN 34 11.166 12.040 -4.563 242 HG3 GLN 34 2HG GLN 34 9.898 11.951 -5.588 243 HE21 GLN 34 1HE2 GLN 34 13.277 12.092 -7.289 244 HE22 GLN 34 2HE2 GLN 34 12.782 11.275 -5.845 245 H SER 35 H SER 35 10.591 15.299 -2.134 246 HA SER 35 HA SER 35 8.467 17.245 -1.952 247 HB2 SER 35 1HB SER 35 9.797 18.127 -0.050 248 HB3 SER 35 2HB SER 35 9.197 16.631 0.214 249 HG SER 35 HG SER 35 11.111 15.730 -0.080 250 H CYS 36 H CYS 36 8.748 19.319 -2.740 251 HA CYS 36 HA CYS 36 11.210 19.879 -4.174 252 HB2 CYS 36 1HB CYS 36 8.870 20.188 -4.955 253 HB3 CYS 36 2HB CYS 36 9.044 21.615 -4.179 254 HA PRO 37 HA PRO 37 12.035 21.813 -0.394 255 HB2 PRO 37 1HB PRO 37 14.554 22.650 -0.676 256 HB3 PRO 37 2HB PRO 37 14.268 21.045 -0.776 257 HG2 PRO 37 1HG PRO 37 14.550 22.907 -2.905 258 HG3 PRO 37 2HG PRO 37 15.254 21.441 -2.752 259 HD2 PRO 37 1HD PRO 37 13.080 21.764 -4.202 260 HD3 PRO 37 2HD PRO 37 13.394 20.347 -3.454 261 H THR 38 H THR 38 14.080 24.259 -1.410 262 HA THR 38 HA THR 38 12.062 26.070 -0.513 263 HB THR 38 HB THR 38 14.046 26.074 0.894 264 HG1 THR 38 HG1 THR 38 14.510 28.469 0.433 265 HG21 THR 38 1HG2 THR 38 16.112 26.947 0.074 266 HG22 THR 38 2HG2 THR 38 15.476 27.117 -1.402 267 HG23 THR 38 3HG2 THR 38 15.716 25.640 -0.791 268 H GLY 39 H GLY 39 11.729 28.193 -1.397 269 HA2 GLY 39 1HA GLY 39 11.871 29.723 -3.050 270 HA3 GLY 39 2HA GLY 39 13.168 28.953 -3.677 271 H LEU 40 H LEU 40 10.749 26.777 -3.454 272 HA LEU 40 HA LEU 40 9.885 27.274 -6.140 273 HB2 LEU 40 1HB LEU 40 10.705 24.679 -5.144 274 HB3 LEU 40 2HB LEU 40 10.183 24.954 -6.667 275 HG LEU 40 HG LEU 40 12.669 25.971 -5.675 276 HD11 LEU 40 1HD1 LEU 40 13.734 24.172 -6.890 277 HD12 LEU 40 2HD1 LEU 40 12.281 23.570 -7.268 278 HD13 LEU 40 3HD1 LEU 40 12.782 23.569 -5.730 279 HD21 LEU 40 1HD2 LEU 40 13.217 26.343 -7.956 280 HD22 LEU 40 2HD2 LEU 40 11.900 27.184 -7.543 281 HD23 LEU 40 3HD2 LEU 40 11.752 25.819 -8.397 282 H VAL 41 H VAL 41 7.885 26.298 -6.828 283 HA VAL 41 HA VAL 41 6.276 25.188 -4.728 284 HB VAL 41 HB VAL 41 4.340 26.543 -5.482 285 HG11 VAL 41 1HG1 VAL 41 4.937 28.512 -4.247 286 HG12 VAL 41 2HG1 VAL 41 6.494 28.078 -4.304 287 HG13 VAL 41 3HG1 VAL 41 5.437 27.189 -3.464 288 HG21 VAL 41 1HG2 VAL 41 4.768 28.548 -6.757 289 HG22 VAL 41 2HG2 VAL 41 5.171 27.248 -7.629 290 HG23 VAL 41 3HG2 VAL 41 6.322 28.127 -6.909 291 H PHE 42 H PHE 42 4.424 23.832 -5.592 292 HA PHE 42 HA PHE 42 5.112 22.784 -8.132 293 HB2 PHE 42 1HB PHE 42 4.327 21.252 -6.531 294 HB3 PHE 42 2HB PHE 42 2.914 22.062 -6.405 295 HD1 PHE 42 HD1 PHE 42 4.825 20.589 -9.158 296 HD2 PHE 42 HD2 PHE 42 1.087 20.971 -7.373 297 HE1 PHE 42 HE1 PHE 42 3.858 19.229 -10.898 298 HE2 PHE 42 HE2 PHE 42 0.119 19.582 -9.099 299 HZ PHE 42 HZ PHE 42 1.506 18.709 -10.864 300 H SER 43 H SER 43 4.260 23.330 -10.118 301 HA SER 43 HA SER 43 1.900 24.985 -10.074 302 HB2 SER 43 1HB SER 43 3.776 26.194 -10.932 303 HB3 SER 43 2HB SER 43 3.991 25.055 -12.082 304 HG SER 43 HG SER 43 2.799 26.307 -13.224 305 H ASN 44 H ASN 44 0.136 23.854 -10.591 306 HA ASN 44 HA ASN 44 0.312 21.467 -11.926 307 HB2 ASN 44 1HB ASN 44 -1.742 22.995 -10.807 308 HB3 ASN 44 2HB ASN 44 -2.282 22.296 -12.181 309 HD21 ASN 44 1HD2 ASN 44 -2.462 20.234 -8.924 310 HD22 ASN 44 2HD2 ASN 44 -2.430 21.960 -9.068 311 H SER 45 H SER 45 0.018 24.593 -13.218 312 HA SER 45 HA SER 45 -1.284 23.917 -15.552 313 HB2 SER 45 1HB SER 45 -0.434 26.132 -16.334 314 HB3 SER 45 2HB SER 45 -1.213 26.205 -14.900 315 HG SER 45 HG SER 45 1.396 25.677 -14.660 316 H CYS 46 H CYS 46 2.108 24.050 -14.850 317 HA CYS 46 HA CYS 46 2.669 23.142 -17.532 318 HB2 CYS 46 1HB CYS 46 4.754 23.866 -17.351 319 HB3 CYS 46 2HB CYS 46 3.844 25.025 -16.646 320 H LYS 47 H LYS 47 2.125 22.044 -14.555 321 HA LYS 47 HA LYS 47 2.436 20.149 -13.501 322 HB2 LYS 47 1HB LYS 47 2.072 19.324 -15.993 323 HB3 LYS 47 2HB LYS 47 3.425 18.513 -15.571 324 HG2 LYS 47 1HG LYS 47 1.708 17.113 -15.125 325 HG3 LYS 47 2HG LYS 47 2.199 17.675 -13.673 326 HD2 LYS 47 1HD LYS 47 0.410 19.224 -13.654 327 HD3 LYS 47 2HD LYS 47 -0.072 18.697 -15.123 328 HE2 LYS 47 1HE LYS 47 -0.559 16.572 -14.205 329 HE3 LYS 47 2HE LYS 47 -0.063 17.088 -12.737 330 HZ1 LYS 47 1HZ LYS 47 -2.417 17.186 -12.886 331 HZ2 LYS 47 2HZ LYS 47 -2.305 18.165 -14.167 332 HZ3 LYS 47 3HZ LYS 47 -1.814 18.676 -12.714 333 H CYS 48 H CYS 48 4.530 21.974 -13.517 334 HA CYS 48 HA CYS 48 6.719 20.203 -12.944 335 HB2 CYS 48 1HB CYS 48 7.543 22.813 -13.314 336 HB3 CYS 48 2HB CYS 48 8.134 21.460 -14.013 337 H CYS 49 H CYS 49 8.222 20.877 -11.166 338 HA CYS 49 HA CYS 49 7.007 22.586 -9.217 339 HB2 CYS 49 1HB CYS 49 8.296 20.748 -8.579 340 HB3 CYS 49 2HB CYS 49 9.612 21.511 -9.172 341 H THR 50 H THR 50 7.336 24.853 -9.310 342 HA THR 50 HA THR 50 9.282 25.700 -11.215 343 HB THR 50 HB THR 50 7.678 27.585 -11.758 344 HG1 THR 50 HG1 THR 50 5.487 27.034 -11.017 345 HG21 THR 50 1HG2 THR 50 6.161 26.260 -13.033 346 HG22 THR 50 2HG2 THR 50 6.569 24.944 -12.188 347 HG23 THR 50 3HG2 THR 50 7.644 25.633 -13.181 348 H TRP 51 H TRP 51 10.019 27.955 -11.150 349 HA TRP 51 HA TRP 51 10.937 28.615 -8.624 350 HB2 TRP 51 1HB TRP 51 11.814 29.201 -10.929 351 HB3 TRP 51 2HB TRP 51 10.848 30.510 -10.792 352 HD1 TRP 51 HD1 TRP 51 13.249 29.127 -8.254 353 HE1 TRP 51 HE1 TRP 51 14.912 30.848 -7.504 354 HE3 TRP 51 HE3 TRP 51 11.672 32.847 -11.201 355 HZ2 TRP 51 HZ2 TRP 51 15.470 33.503 -8.243 356 HZ3 TRP 51 HZ3 TRP 51 12.820 34.979 -11.104 357 HH2 TRP 51 HH2 TRP 51 14.714 35.285 -9.646 358 H ASN 52 H ASN 52 10.326 30.053 -7.035 359 HA ASN 52 HA ASN 52 7.652 30.901 -7.266 360 HB2 ASN 52 1HB ASN 52 8.659 29.940 -5.198 361 HB3 ASN 52 2HB ASN 52 9.351 31.401 -4.962 362 HD21 ASN 52 1HD2 ASN 52 6.692 32.587 -3.160 363 HD22 ASN 52 2HD2 ASN 52 8.398 32.603 -3.463 364 H GLY 53 H GLY 53 9.538 32.316 -8.940 365 HA2 GLY 53 1HA GLY 53 9.823 34.446 -9.591 366 HA3 GLY 53 2HA GLY 53 8.435 34.797 -8.804 367 H LEU 54 H LEU 54 11.579 33.939 -7.528 368 HA LEU 54 HA LEU 54 11.491 35.871 -5.569 369 HB2 LEU 54 1HB LEU 54 12.914 33.970 -5.431 370 HB3 LEU 54 2HB LEU 54 13.854 34.595 -6.611 371 HG LEU 54 HG LEU 54 13.616 36.312 -4.410 372 HD11 LEU 54 1HD1 LEU 54 14.982 35.035 -2.928 373 HD12 LEU 54 2HD1 LEU 54 14.928 33.781 -3.948 374 HD13 LEU 54 3HD1 LEU 54 13.584 34.266 -3.192 375 HD21 LEU 54 1HD2 LEU 54 15.972 36.515 -4.704 376 HD22 LEU 54 2HD2 LEU 54 15.220 36.697 -6.124 377 HD23 LEU 54 3HD2 LEU 54 15.952 35.299 -5.770 378 H VAL 55 H VAL 55 11.837 38.063 -5.580 379 HA VAL 55 HA VAL 55 12.728 39.238 -8.005 380 HB VAL 55 HB VAL 55 11.990 40.581 -5.538 381 HG11 VAL 55 1HG1 VAL 55 11.792 42.590 -6.847 382 HG12 VAL 55 2HG1 VAL 55 12.315 41.794 -8.154 383 HG13 VAL 55 3HG1 VAL 55 13.312 42.039 -6.904 384 HG21 VAL 55 1HG2 VAL 55 9.850 40.994 -6.610 385 HG22 VAL 55 2HG2 VAL 55 10.102 39.401 -6.488 386 HG23 VAL 55 3HG2 VAL 55 10.334 40.151 -7.902 387 HA PRO 56 HA PRO 56 16.799 39.138 -6.329 388 HB2 PRO 56 1HB PRO 56 18.250 39.876 -8.444 389 HB3 PRO 56 2HB PRO 56 17.510 38.421 -8.492 390 HG2 PRO 56 1HG PRO 56 16.579 40.882 -9.575 391 HG3 PRO 56 2HG PRO 56 16.682 39.435 -10.325 392 HD2 PRO 56 1HD PRO 56 14.416 40.209 -9.306 393 HD3 PRO 56 2HD PRO 56 14.825 38.628 -9.270 394 H ARG 57 H ARG 57 15.205 41.807 -7.087 395 HA ARG 57 HA ARG 57 15.392 43.920 -6.497 396 HB2 ARG 57 1HB ARG 57 17.552 43.289 -4.684 397 HB3 ARG 57 2HB ARG 57 16.596 44.611 -4.596 398 HG2 ARG 57 1HG ARG 57 15.665 41.927 -4.137 399 HG3 ARG 57 2HG ARG 57 16.018 42.991 -2.948 400 HD2 ARG 57 1HD ARG 57 14.260 44.398 -3.652 401 HD3 ARG 57 2HD ARG 57 13.934 43.394 -4.899 402 HE ARG 57 HE ARG 57 13.755 41.940 -2.552 403 HH11 ARG 57 1HH1 ARG 57 11.959 44.434 -4.270 404 HH12 ARG 57 2HH1 ARG 57 10.454 43.960 -3.558 405 HH21 ARG 57 1HH2 ARG 57 11.795 41.390 -1.689 406 HH22 ARG 57 2HH2 ARG 57 10.364 42.266 -2.120 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 0.677 -8.619 -2.889 2 H2 GLY 1 2H GLY 1 1.626 -7.475 -2.254 3 H3 GLY 1 3H GLY 1 2.056 -8.211 -3.627 4 HA2 GLY 1 1HA GLY 1 0.212 -7.227 -4.742 5 HA3 GLY 1 2HA GLY 1 -0.222 -6.483 -3.355 6 H SER 2 H SER 2 -0.001 -4.737 -5.291 7 HA SER 2 HA SER 2 2.426 -3.325 -4.680 8 HB2 SER 2 1HB SER 2 3.100 -4.543 -6.626 9 HB3 SER 2 2HB SER 2 1.780 -4.020 -7.432 10 HG SER 2 HG SER 2 4.061 -2.929 -7.424 11 HA PRO 3 HA PRO 3 -0.637 -0.245 -5.086 12 HB2 PRO 3 1HB PRO 3 0.709 2.041 -5.291 13 HB3 PRO 3 2HB PRO 3 0.689 1.266 -3.854 14 HG2 PRO 3 1HG PRO 3 2.713 1.151 -5.868 15 HG3 PRO 3 2HG PRO 3 2.914 1.402 -4.267 16 HD2 PRO 3 1HD PRO 3 3.268 -0.976 -5.247 17 HD3 PRO 3 2HD PRO 3 2.602 -0.807 -3.765 18 H THR 4 H THR 4 -1.897 0.764 -6.545 19 HA THR 4 HA THR 4 -0.927 0.484 -9.230 20 HB THR 4 HB THR 4 -3.384 0.508 -9.798 21 HG1 THR 4 HG1 THR 4 -4.805 0.761 -8.275 22 HG21 THR 4 1HG2 THR 4 -3.810 -1.723 -8.995 23 HG22 THR 4 2HG2 THR 4 -2.601 -1.588 -7.929 24 HG23 THR 4 3HG2 THR 4 -2.280 -1.652 -9.512 25 H PHE 5 H PHE 5 -0.936 2.790 -7.152 26 HA PHE 5 HA PHE 5 -2.543 4.750 -8.059 27 HB2 PHE 5 1HB PHE 5 -1.289 4.864 -5.984 28 HB3 PHE 5 2HB PHE 5 0.091 5.072 -6.832 29 HD1 PHE 5 HD1 PHE 5 0.760 7.236 -7.624 30 HD2 PHE 5 HD2 PHE 5 -2.941 6.730 -5.805 31 HE1 PHE 5 HE1 PHE 5 0.539 9.630 -7.439 32 HE2 PHE 5 HE2 PHE 5 -3.191 9.128 -5.650 33 HZ PHE 5 HZ PHE 5 -1.432 10.574 -6.441 34 H CYS 6 H CYS 6 0.552 4.039 -9.402 35 HA CYS 6 HA CYS 6 0.299 6.332 -11.138 36 HB2 CYS 6 1HB CYS 6 2.297 6.107 -9.877 37 HB3 CYS 6 2HB CYS 6 2.595 4.693 -10.637 38 H GLN 7 H GLN 7 -0.328 3.112 -11.184 39 HA GLN 7 HA GLN 7 0.503 2.485 -13.767 40 HB2 GLN 7 1HB GLN 7 -1.381 1.290 -11.986 41 HB3 GLN 7 2HB GLN 7 -1.068 0.647 -13.454 42 HG2 GLN 7 1HG GLN 7 1.218 0.352 -12.803 43 HG3 GLN 7 2HG GLN 7 0.845 0.916 -11.316 44 HE21 GLN 7 1HE2 GLN 7 0.364 -2.295 -10.174 45 HE22 GLN 7 2HE2 GLN 7 1.138 -0.761 -9.958 46 H GLY 8 H GLY 8 -0.374 2.986 -15.729 47 HA2 GLY 8 1HA GLY 8 -2.082 3.529 -17.146 48 HA3 GLY 8 2HA GLY 8 -3.150 3.538 -15.911 49 H LYS 9 H LYS 9 -0.619 5.433 -15.031 50 HA LYS 9 HA LYS 9 -1.998 7.816 -15.889 51 HB2 LYS 9 1HB LYS 9 -0.376 7.322 -13.591 52 HB3 LYS 9 2HB LYS 9 -0.620 8.858 -14.089 53 HG2 LYS 9 1HG LYS 9 -2.985 8.471 -13.891 54 HG3 LYS 9 2HG LYS 9 -2.642 7.024 -13.216 55 HD2 LYS 9 1HD LYS 9 -1.326 8.185 -11.609 56 HD3 LYS 9 2HD LYS 9 -1.919 9.579 -12.218 57 HE2 LYS 9 1HE LYS 9 -4.060 9.072 -11.524 58 HE3 LYS 9 2HE LYS 9 -3.650 7.526 -11.194 59 HZ1 LYS 9 1HZ LYS 9 -3.825 8.773 -9.179 60 HZ2 LYS 9 2HZ LYS 9 -2.705 9.809 -9.713 61 HZ3 LYS 9 3HZ LYS 9 -2.299 8.279 -9.386 62 H ALA 10 H ALA 10 -0.964 9.531 -16.917 63 HA ALA 10 HA ALA 10 1.368 8.871 -18.313 64 HB1 ALA 10 1HB ALA 10 -0.197 10.420 -19.265 65 HB2 ALA 10 2HB ALA 10 1.243 11.147 -19.150 66 HB3 ALA 10 3HB ALA 10 0.085 11.471 -18.068 67 H ASP 11 H ASP 11 3.491 9.814 -18.133 68 HA ASP 11 HA ASP 11 4.351 10.185 -15.527 69 HB2 ASP 11 1HB ASP 11 5.649 10.560 -18.058 70 HB3 ASP 11 2HB ASP 11 6.427 11.010 -16.694 71 H GLY 12 H GLY 12 5.476 12.134 -14.624 72 HA2 GLY 12 1HA GLY 12 5.625 14.562 -14.946 73 HA3 GLY 12 2HA GLY 12 4.070 14.536 -15.444 74 H LEU 13 H LEU 13 4.150 16.279 -13.582 75 HA LEU 13 HA LEU 13 4.016 14.947 -11.081 76 HB2 LEU 13 1HB LEU 13 3.991 17.798 -11.607 77 HB3 LEU 13 2HB LEU 13 4.093 17.164 -10.105 78 HG LEU 13 HG LEU 13 6.173 17.230 -12.074 79 HD11 LEU 13 1HD1 LEU 13 7.320 18.498 -10.341 80 HD12 LEU 13 2HD1 LEU 13 6.038 18.324 -9.371 81 HD13 LEU 13 3HD1 LEU 13 5.922 19.223 -10.710 82 HD21 LEU 13 1HD2 LEU 13 7.577 16.038 -10.601 83 HD22 LEU 13 2HD2 LEU 13 6.330 15.120 -11.066 84 HD23 LEU 13 3HD2 LEU 13 6.332 15.797 -9.598 85 H TYR 14 H TYR 14 2.375 15.066 -9.537 86 HA TYR 14 HA TYR 14 -0.165 16.119 -10.463 87 HB2 TYR 14 1HB TYR 14 0.221 13.583 -9.143 88 HB3 TYR 14 2HB TYR 14 -1.249 14.251 -9.390 89 HD1 TYR 14 HD1 TYR 14 1.536 12.751 -11.052 90 HD2 TYR 14 HD2 TYR 14 -2.390 14.002 -11.513 91 HE1 TYR 14 HE1 TYR 14 1.442 11.626 -13.188 92 HE2 TYR 14 HE2 TYR 14 -2.505 12.848 -13.644 93 HH TYR 14 HH TYR 14 -0.666 10.576 -14.675 94 HA PRO 15 HA PRO 15 0.119 18.066 -6.580 95 HB2 PRO 15 1HB PRO 15 -2.401 18.558 -5.827 96 HB3 PRO 15 2HB PRO 15 -1.773 19.383 -7.089 97 HG2 PRO 15 1HG PRO 15 -3.388 17.030 -7.175 98 HG3 PRO 15 2HG PRO 15 -3.586 18.408 -8.030 99 HD2 PRO 15 1HD PRO 15 -2.408 16.396 -9.140 100 HD3 PRO 15 2HD PRO 15 -1.868 17.905 -9.454 101 H ASN 16 H ASN 16 0.369 17.841 -4.476 102 HA ASN 16 HA ASN 16 0.144 15.175 -3.616 103 HB2 ASN 16 1HB ASN 16 1.551 15.877 -1.833 104 HB3 ASN 16 2HB ASN 16 2.082 16.625 -3.184 105 HD21 ASN 16 1HD2 ASN 16 1.150 18.722 -0.082 106 HD22 ASN 16 2HD2 ASN 16 1.555 17.038 -0.119 107 HA PRO 17 HA PRO 17 -3.264 15.657 -1.217 108 HB2 PRO 17 1HB PRO 17 -3.291 13.557 0.475 109 HB3 PRO 17 2HB PRO 17 -3.176 13.220 -1.119 110 HG2 PRO 17 1HG PRO 17 -1.032 13.466 0.767 111 HG3 PRO 17 2HG PRO 17 -1.286 12.248 -0.291 112 HD2 PRO 17 1HD PRO 17 0.361 14.215 -0.854 113 HD3 PRO 17 2HD PRO 17 -0.457 13.436 -2.034 114 H ARG 18 H ARG 18 -0.607 16.024 0.875 115 HA ARG 18 HA ARG 18 -2.416 17.122 2.796 116 HB2 ARG 18 1HB ARG 18 -0.208 15.330 3.523 117 HB3 ARG 18 2HB ARG 18 -1.194 16.011 4.633 118 HG2 ARG 18 1HG ARG 18 -2.797 14.520 4.310 119 HG3 ARG 18 2HG ARG 18 -2.407 14.291 2.740 120 HD2 ARG 18 1HD ARG 18 -1.740 12.349 3.722 121 HD3 ARG 18 2HD ARG 18 -0.350 13.201 3.612 122 HE ARG 18 HE ARG 18 -1.476 13.748 6.076 123 HH11 ARG 18 1HH1 ARG 18 -0.770 12.797 7.931 124 HH12 ARG 18 2HH1 ARG 18 0.180 11.350 7.883 125 HH21 ARG 18 1HH2 ARG 18 0.163 11.084 4.449 126 HH22 ARG 18 2HH2 ARG 18 0.701 10.395 5.945 127 H GLU 19 H GLU 19 0.860 16.861 1.933 128 HA GLU 19 HA GLU 19 1.818 18.699 3.776 129 HB2 GLU 19 1HB GLU 19 3.215 17.947 1.368 130 HB3 GLU 19 2HB GLU 19 3.894 18.349 2.797 131 HG2 GLU 19 1HG GLU 19 4.203 16.153 2.949 132 HG3 GLU 19 2HG GLU 19 2.678 16.184 3.532 133 H ARG 20 H ARG 20 3.160 20.725 3.156 134 HA ARG 20 HA ARG 20 1.408 22.308 1.656 135 HB2 ARG 20 1HB ARG 20 2.634 23.185 3.579 136 HB3 ARG 20 2HB ARG 20 4.018 23.072 2.719 137 HG2 ARG 20 1HG ARG 20 3.265 25.343 2.800 138 HG3 ARG 20 2HG ARG 20 3.264 24.802 1.259 139 HD2 ARG 20 1HD ARG 20 0.959 24.516 1.288 140 HD3 ARG 20 2HD ARG 20 0.895 24.789 2.897 141 HE ARG 20 HE ARG 20 1.398 27.114 2.502 142 HH11 ARG 20 1HH1 ARG 20 0.269 25.239 -0.264 143 HH12 ARG 20 2HH1 ARG 20 -0.270 26.655 -1.104 144 HH21 ARG 20 1HH2 ARG 20 0.660 28.858 1.372 145 HH22 ARG 20 2HH2 ARG 20 -0.053 28.663 -0.195 146 H SER 21 H SER 21 4.468 20.934 0.995 147 HA SER 21 HA SER 21 4.435 22.203 -1.534 148 HB2 SER 21 1HB SER 21 6.954 21.892 -0.030 149 HB3 SER 21 2HB SER 21 6.725 22.954 -1.249 150 HG SER 21 HG SER 21 5.813 24.343 0.020 151 H SER 22 H SER 22 4.460 19.190 -0.544 152 HA SER 22 HA SER 22 6.514 18.270 -2.301 153 HB2 SER 22 1HB SER 22 5.800 16.053 -1.618 154 HB3 SER 22 2HB SER 22 6.123 17.000 -0.328 155 HG SER 22 HG SER 22 3.761 17.514 -0.600 156 H PHE 23 H PHE 23 5.820 16.319 -3.829 157 HA PHE 23 HA PHE 23 3.265 16.815 -4.989 158 HB2 PHE 23 1HB PHE 23 4.273 16.721 -7.246 159 HB3 PHE 23 2HB PHE 23 4.566 18.102 -6.424 160 HD1 PHE 23 HD1 PHE 23 6.710 18.908 -6.289 161 HD2 PHE 23 HD2 PHE 23 6.142 14.872 -7.072 162 HE1 PHE 23 HE1 PHE 23 9.083 18.648 -6.625 163 HE2 PHE 23 HE2 PHE 23 8.518 14.587 -7.374 164 HZ PHE 23 HZ PHE 23 9.995 16.481 -7.144 165 H TYR 24 H TYR 24 2.622 15.115 -6.590 166 HA TYR 24 HA TYR 24 3.779 12.546 -5.961 167 HB2 TYR 24 1HB TYR 24 1.421 13.269 -7.413 168 HB3 TYR 24 2HB TYR 24 2.043 11.765 -7.539 169 HD1 TYR 24 HD1 TYR 24 2.397 10.591 -5.137 170 HD2 TYR 24 HD2 TYR 24 -0.396 13.517 -6.034 171 HE1 TYR 24 HE1 TYR 24 1.010 9.822 -3.311 172 HE2 TYR 24 HE2 TYR 24 -1.773 12.778 -4.197 173 HH TYR 24 HH TYR 24 -2.196 10.707 -2.898 174 H SER 25 H SER 25 4.987 11.500 -7.705 175 HA SER 25 HA SER 25 5.074 12.918 -10.209 176 HB2 SER 25 1HB SER 25 7.093 13.516 -9.056 177 HB3 SER 25 2HB SER 25 7.455 11.935 -8.863 178 HG SER 25 HG SER 25 8.606 12.555 -10.561 179 H CYS 26 H CYS 26 4.902 11.614 -11.974 180 HA CYS 26 HA CYS 26 5.166 8.762 -11.514 181 HB2 CYS 26 1HB CYS 26 3.466 10.256 -13.147 182 HB3 CYS 26 2HB CYS 26 4.000 8.836 -13.754 183 H ALA 27 H ALA 27 6.892 7.774 -12.494 184 HA ALA 27 HA ALA 27 8.071 9.006 -14.809 185 HB1 ALA 27 1HB ALA 27 9.389 9.909 -13.034 186 HB2 ALA 27 2HB ALA 27 10.297 8.869 -13.875 187 HB3 ALA 27 3HB ALA 27 9.666 8.425 -12.454 188 H ALA 28 H ALA 28 8.170 7.430 -16.333 189 HA ALA 28 HA ALA 28 8.073 5.395 -17.191 190 HB1 ALA 28 1HB ALA 28 10.395 5.243 -16.513 191 HB2 ALA 28 2HB ALA 28 9.732 3.768 -16.491 192 HB3 ALA 28 3HB ALA 28 9.950 4.577 -15.108 193 H GLY 29 H GLY 29 5.986 6.036 -15.413 194 HA2 GLY 29 1HA GLY 29 4.180 4.925 -14.622 195 HA3 GLY 29 2HA GLY 29 4.856 3.497 -15.036 196 H ARG 30 H ARG 30 6.977 5.089 -13.107 197 HA ARG 30 HA ARG 30 6.177 3.538 -10.818 198 HB2 ARG 30 1HB ARG 30 8.710 4.886 -11.187 199 HB3 ARG 30 2HB ARG 30 8.382 3.796 -10.016 200 HG2 ARG 30 1HG ARG 30 8.645 3.198 -12.814 201 HG3 ARG 30 2HG ARG 30 9.728 2.806 -11.656 202 HD2 ARG 30 1HD ARG 30 8.069 1.348 -10.664 203 HD3 ARG 30 2HD ARG 30 7.079 1.673 -11.922 204 HE ARG 30 HE ARG 30 8.313 0.348 -13.331 205 HH11 ARG 30 1HH1 ARG 30 9.721 -1.311 -13.693 206 HH12 ARG 30 2HH1 ARG 30 10.834 -1.812 -12.465 207 HH21 ARG 30 1HH2 ARG 30 9.817 0.518 -10.144 208 HH22 ARG 30 2HH2 ARG 30 10.889 -0.798 -10.492 209 H LEU 31 H LEU 31 5.819 4.458 -8.767 210 HA LEU 31 HA LEU 31 5.211 7.221 -8.918 211 HB2 LEU 31 1HB LEU 31 3.594 5.787 -7.891 212 HB3 LEU 31 2HB LEU 31 4.701 5.301 -6.793 213 HG LEU 31 HG LEU 31 4.658 7.475 -5.808 214 HD11 LEU 31 1HD1 LEU 31 3.031 9.088 -6.477 215 HD12 LEU 31 2HD1 LEU 31 2.574 8.133 -7.699 216 HD13 LEU 31 3HD1 LEU 31 4.051 8.790 -7.695 217 HD21 LEU 31 1HD2 LEU 31 2.492 7.269 -4.796 218 HD22 LEU 31 2HD2 LEU 31 3.194 5.816 -4.909 219 HD23 LEU 31 3HD2 LEU 31 2.043 6.242 -5.962 220 H PHE 32 H PHE 32 6.418 8.849 -8.177 221 HA PHE 32 HA PHE 32 8.196 8.290 -5.958 222 HB2 PHE 32 1HB PHE 32 8.590 10.169 -8.094 223 HB3 PHE 32 2HB PHE 32 9.474 10.218 -6.722 224 HD1 PHE 32 HD1 PHE 32 8.714 8.100 -9.539 225 HD2 PHE 32 HD2 PHE 32 11.426 8.897 -6.489 226 HE1 PHE 32 HE1 PHE 32 10.250 6.522 -10.515 227 HE2 PHE 32 HE2 PHE 32 12.985 7.317 -7.453 228 HZ PHE 32 HZ PHE 32 12.394 6.129 -9.476 229 H GLN 33 H GLN 33 7.717 9.449 -4.071 230 HA GLN 33 HA GLN 33 5.890 11.722 -4.332 231 HB2 GLN 33 1HB GLN 33 6.150 9.895 -2.151 232 HB3 GLN 33 2HB GLN 33 5.293 11.283 -2.061 233 HG2 GLN 33 1HG GLN 33 3.646 10.495 -3.421 234 HG3 GLN 33 2HG GLN 33 4.616 9.360 -4.085 235 HE21 GLN 33 1HE2 GLN 33 4.185 6.974 -1.520 236 HE22 GLN 33 2HE2 GLN 33 5.368 7.579 -2.631 237 H GLN 34 H GLN 34 7.138 13.582 -4.299 238 HA GLN 34 HA GLN 34 9.310 13.687 -2.459 239 HB2 GLN 34 1HB GLN 34 9.698 13.988 -5.334 240 HB3 GLN 34 2HB GLN 34 10.854 14.409 -4.261 241 HG2 GLN 34 1HG GLN 34 10.963 12.093 -3.586 242 HG3 GLN 34 2HG GLN 34 9.957 11.740 -4.824 243 HE21 GLN 34 1HE2 GLN 34 12.410 12.496 -7.352 244 HE22 GLN 34 2HE2 GLN 34 10.756 12.868 -6.995 245 H SER 35 H SER 35 10.477 15.885 -2.519 246 HA SER 35 HA SER 35 8.637 18.001 -3.298 247 HB2 SER 35 1HB SER 35 9.847 19.366 -1.711 248 HB3 SER 35 2HB SER 35 9.113 18.100 -0.986 249 HG SER 35 HG SER 35 11.072 18.018 -0.175 250 H CYS 36 H CYS 36 9.833 19.973 -4.283 251 HA CYS 36 HA CYS 36 11.961 19.060 -5.989 252 HB2 CYS 36 1HB CYS 36 10.048 20.664 -6.417 253 HB3 CYS 36 2HB CYS 36 11.197 21.741 -5.984 254 HA PRO 37 HA PRO 37 14.643 20.423 -2.913 255 HB2 PRO 37 1HB PRO 37 17.086 20.281 -4.086 256 HB3 PRO 37 2HB PRO 37 16.322 18.912 -3.631 257 HG2 PRO 37 1HG PRO 37 16.343 20.113 -6.229 258 HG3 PRO 37 2HG PRO 37 16.600 18.545 -5.854 259 HD2 PRO 37 1HD PRO 37 14.263 19.267 -6.672 260 HD3 PRO 37 2HD PRO 37 14.374 18.152 -5.484 261 H THR 38 H THR 38 15.602 22.017 -5.864 262 HA THR 38 HA THR 38 16.052 24.339 -4.259 263 HB THR 38 HB THR 38 17.078 24.975 -6.629 264 HG1 THR 38 HG1 THR 38 17.335 22.222 -6.406 265 HG21 THR 38 1HG2 THR 38 19.229 24.274 -5.790 266 HG22 THR 38 2HG2 THR 38 18.508 23.344 -4.681 267 HG23 THR 38 3HG2 THR 38 18.401 24.954 -4.579 268 H GLY 39 H GLY 39 14.751 26.154 -4.322 269 HA2 GLY 39 1HA GLY 39 13.542 27.732 -5.397 270 HA3 GLY 39 2HA GLY 39 13.900 27.034 -6.830 271 H LEU 40 H LEU 40 12.237 25.275 -4.407 272 HA LEU 40 HA LEU 40 10.500 24.292 -6.199 273 HB2 LEU 40 1HB LEU 40 11.043 23.519 -3.897 274 HB3 LEU 40 2HB LEU 40 9.955 24.608 -3.353 275 HG LEU 40 HG LEU 40 9.204 22.263 -4.813 276 HD11 LEU 40 1HD1 LEU 40 8.634 21.398 -2.568 277 HD12 LEU 40 2HD1 LEU 40 9.197 22.766 -1.915 278 HD13 LEU 40 3HD1 LEU 40 10.214 21.733 -2.631 279 HD21 LEU 40 1HD2 LEU 40 7.016 22.574 -4.056 280 HD22 LEU 40 2HD2 LEU 40 7.493 23.818 -4.972 281 HD23 LEU 40 3HD2 LEU 40 7.442 23.972 -3.363 282 H VAL 41 H VAL 41 9.033 25.063 -7.459 283 HA VAL 41 HA VAL 41 6.657 25.922 -6.115 284 HB VAL 41 HB VAL 41 6.128 27.394 -8.124 285 HG11 VAL 41 1HG1 VAL 41 6.819 29.331 -6.890 286 HG12 VAL 41 2HG1 VAL 41 7.759 28.409 -5.951 287 HG13 VAL 41 3HG1 VAL 41 6.151 28.254 -5.884 288 HG21 VAL 41 1HG2 VAL 41 7.988 28.584 -8.947 289 HG22 VAL 41 2HG2 VAL 41 8.113 27.015 -9.318 290 HG23 VAL 41 3HG2 VAL 41 8.984 27.631 -8.103 291 H PHE 42 H PHE 42 4.748 25.176 -7.526 292 HA PHE 42 HA PHE 42 5.571 23.216 -9.511 293 HB2 PHE 42 1HB PHE 42 4.666 22.019 -7.732 294 HB3 PHE 42 2HB PHE 42 3.407 23.050 -7.605 295 HD1 PHE 42 HD1 PHE 42 4.679 21.257 -10.518 296 HD2 PHE 42 HD2 PHE 42 1.443 21.809 -7.962 297 HE1 PHE 42 HE1 PHE 42 3.321 19.871 -11.944 298 HE2 PHE 42 HE2 PHE 42 0.097 20.358 -9.348 299 HZ PHE 42 HZ PHE 42 1.040 19.402 -11.353 300 H SER 43 H SER 43 4.779 23.462 -11.554 301 HA SER 43 HA SER 43 2.580 25.312 -11.832 302 HB2 SER 43 1HB SER 43 4.496 26.218 -12.884 303 HB3 SER 43 2HB SER 43 4.696 24.851 -13.756 304 HG SER 43 HG SER 43 3.636 25.903 -15.180 305 H ASN 44 H ASN 44 0.712 24.298 -12.186 306 HA ASN 44 HA ASN 44 0.629 21.681 -12.964 307 HB2 ASN 44 1HB ASN 44 -1.508 23.660 -12.993 308 HB3 ASN 44 2HB ASN 44 -1.811 22.077 -13.256 309 HD21 ASN 44 1HD2 ASN 44 -2.344 21.421 -9.940 310 HD22 ASN 44 2HD2 ASN 44 -2.716 21.074 -11.595 311 H SER 45 H SER 45 0.596 24.523 -14.865 312 HA SER 45 HA SER 45 -0.520 23.398 -17.131 313 HB2 SER 45 1HB SER 45 0.392 25.419 -18.266 314 HB3 SER 45 2HB SER 45 -0.481 25.776 -16.933 315 HG SER 45 HG SER 45 1.235 26.322 -15.850 316 H CYS 46 H CYS 46 2.781 23.548 -16.094 317 HA CYS 46 HA CYS 46 3.621 22.310 -18.530 318 HB2 CYS 46 1HB CYS 46 5.786 22.590 -17.871 319 HB3 CYS 46 2HB CYS 46 4.984 23.987 -17.602 320 H LYS 47 H LYS 47 2.339 21.394 -15.718 321 HA LYS 47 HA LYS 47 2.243 19.476 -14.541 322 HB2 LYS 47 1HB LYS 47 1.958 18.696 -16.971 323 HB3 LYS 47 2HB LYS 47 3.364 17.919 -16.673 324 HG2 LYS 47 1HG LYS 47 1.697 16.410 -16.390 325 HG3 LYS 47 2HG LYS 47 2.266 16.764 -14.901 326 HD2 LYS 47 1HD LYS 47 0.408 17.953 -14.348 327 HD3 LYS 47 2HD LYS 47 -0.024 18.163 -15.909 328 HE2 LYS 47 1HE LYS 47 -1.404 16.551 -14.731 329 HE3 LYS 47 2HE LYS 47 -0.714 15.950 -16.084 330 HZ1 LYS 47 1HZ LYS 47 -0.481 14.415 -14.297 331 HZ2 LYS 47 2HZ LYS 47 0.292 15.535 -13.423 332 HZ3 LYS 47 3HZ LYS 47 0.976 14.939 -14.762 333 H CYS 48 H CYS 48 4.568 21.069 -14.276 334 HA CYS 48 HA CYS 48 6.519 19.143 -13.558 335 HB2 CYS 48 1HB CYS 48 8.149 19.954 -14.918 336 HB3 CYS 48 2HB CYS 48 6.818 19.904 -15.862 337 H CYS 49 H CYS 49 8.499 19.987 -12.458 338 HA CYS 49 HA CYS 49 7.796 21.942 -10.542 339 HB2 CYS 49 1HB CYS 49 9.141 20.194 -9.901 340 HB3 CYS 49 2HB CYS 49 10.246 20.582 -11.039 341 H THR 50 H THR 50 8.397 24.103 -10.511 342 HA THR 50 HA THR 50 10.058 25.031 -12.695 343 HB THR 50 HB THR 50 8.673 27.145 -12.468 344 HG1 THR 50 HG1 THR 50 6.434 26.143 -11.940 345 HG21 THR 50 1HG2 THR 50 7.059 26.319 -14.052 346 HG22 THR 50 2HG2 THR 50 7.426 24.796 -13.653 347 HG23 THR 50 3HG2 THR 50 8.508 25.710 -14.433 348 H TRP 51 H TRP 51 11.114 27.238 -12.135 349 HA TRP 51 HA TRP 51 12.033 27.037 -9.432 350 HB2 TRP 51 1HB TRP 51 13.331 27.628 -11.698 351 HB3 TRP 51 2HB TRP 51 13.293 29.045 -10.886 352 HD1 TRP 51 HD1 TRP 51 14.814 25.681 -10.666 353 HE1 TRP 51 HE1 TRP 51 16.682 25.565 -8.998 354 HE3 TRP 51 HE3 TRP 51 14.135 30.210 -8.663 355 HZ2 TRP 51 HZ2 TRP 51 17.716 27.334 -7.063 356 HZ3 TRP 51 HZ3 TRP 51 15.605 30.933 -6.883 357 HH2 TRP 51 HH2 TRP 51 17.380 29.498 -6.096 358 H ASN 52 H ASN 52 12.002 28.732 -7.904 359 HA ASN 52 HA ASN 52 9.714 30.313 -8.234 360 HB2 ASN 52 1HB ASN 52 10.302 29.206 -6.115 361 HB3 ASN 52 2HB ASN 52 11.497 30.305 -5.932 362 HD21 ASN 52 1HD2 ASN 52 8.959 31.622 -3.821 363 HD22 ASN 52 2HD2 ASN 52 10.205 30.420 -3.831 364 H GLY 53 H GLY 53 9.948 31.939 -9.683 365 HA2 GLY 53 1HA GLY 53 10.296 34.167 -9.972 366 HA3 GLY 53 2HA GLY 53 11.232 34.230 -8.635 367 H LEU 54 H LEU 54 12.393 31.835 -10.523 368 HA LEU 54 HA LEU 54 14.194 33.592 -11.930 369 HB2 LEU 54 1HB LEU 54 15.094 32.555 -9.820 370 HB3 LEU 54 2HB LEU 54 15.212 31.198 -10.721 371 HG LEU 54 HG LEU 54 16.467 33.152 -12.126 372 HD11 LEU 54 1HD1 LEU 54 18.139 33.910 -10.610 373 HD12 LEU 54 2HD1 LEU 54 17.386 33.162 -9.390 374 HD13 LEU 54 3HD1 LEU 54 16.683 34.419 -10.124 375 HD21 LEU 54 1HD2 LEU 54 18.361 31.729 -11.855 376 HD22 LEU 54 2HD2 LEU 54 17.049 30.847 -12.195 377 HD23 LEU 54 3HD2 LEU 54 17.597 30.928 -10.676 378 H VAL 55 H VAL 55 15.222 32.738 -13.849 379 HA VAL 55 HA VAL 55 13.793 30.471 -14.947 380 HB VAL 55 HB VAL 55 15.327 32.452 -16.402 381 HG11 VAL 55 1HG1 VAL 55 14.505 31.415 -18.406 382 HG12 VAL 55 2HG1 VAL 55 13.777 30.272 -17.524 383 HG13 VAL 55 3HG1 VAL 55 15.392 30.358 -17.562 384 HG21 VAL 55 1HG2 VAL 55 13.180 33.225 -17.216 385 HG22 VAL 55 2HG2 VAL 55 13.230 33.352 -15.605 386 HG23 VAL 55 3HG2 VAL 55 12.432 32.127 -16.295 387 HA PRO 56 HA PRO 56 17.787 28.712 -14.099 388 HB2 PRO 56 1HB PRO 56 17.140 26.217 -13.567 389 HB3 PRO 56 2HB PRO 56 16.529 27.347 -12.559 390 HG2 PRO 56 1HG PRO 56 15.243 26.108 -14.783 391 HG3 PRO 56 2HG PRO 56 14.642 26.337 -13.282 392 HD2 PRO 56 1HD PRO 56 14.115 28.020 -15.297 393 HD3 PRO 56 2HD PRO 56 14.045 28.491 -13.734 394 H ARG 57 H ARG 57 16.494 28.811 -16.821 395 HA ARG 57 HA ARG 57 17.792 26.581 -18.051 396 HB2 ARG 57 1HB ARG 57 15.930 28.537 -19.103 397 HB3 ARG 57 2HB ARG 57 16.661 27.461 -20.092 398 HG2 ARG 57 1HG ARG 57 14.946 26.678 -17.939 399 HG3 ARG 57 2HG ARG 57 14.429 26.847 -19.478 400 HD2 ARG 57 1HD ARG 57 16.114 25.190 -20.116 401 HD3 ARG 57 2HD ARG 57 16.344 24.913 -18.523 402 HE ARG 57 HE ARG 57 13.659 24.593 -18.992 403 HH11 ARG 57 1HH1 ARG 57 12.724 22.615 -19.272 404 HH12 ARG 57 2HH1 ARG 57 13.679 21.237 -19.706 405 HH21 ARG 57 1HH2 ARG 57 16.662 22.960 -19.813 406 HH22 ARG 57 2HH2 ARG 57 15.877 21.429 -20.008 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 1.469 -5.079 -3.911 2 H2 GLY 1 2H GLY 1 1.130 -5.500 -5.435 3 H3 GLY 1 3H GLY 1 0.252 -4.361 -4.696 4 HA2 GLY 1 1HA GLY 1 2.136 -2.936 -4.636 5 HA3 GLY 1 2HA GLY 1 3.024 -4.087 -5.381 6 H SER 2 H SER 2 3.371 -2.103 -6.855 7 HA SER 2 HA SER 2 2.900 -1.070 -8.732 8 HB2 SER 2 1HB SER 2 3.025 -3.482 -9.512 9 HB3 SER 2 2HB SER 2 1.418 -3.351 -9.772 10 HG SER 2 HG SER 2 2.559 -2.939 -11.631 11 HA PRO 3 HA PRO 3 -1.361 0.099 -7.955 12 HB2 PRO 3 1HB PRO 3 -1.074 2.675 -7.345 13 HB3 PRO 3 2HB PRO 3 -0.804 1.565 -6.177 14 HG2 PRO 3 1HG PRO 3 1.125 2.835 -7.850 15 HG3 PRO 3 2HG PRO 3 1.160 2.684 -6.224 16 HD2 PRO 3 1HD PRO 3 2.494 1.008 -7.695 17 HD3 PRO 3 2HD PRO 3 1.772 0.480 -6.328 18 H THR 4 H THR 4 -2.885 1.099 -9.230 19 HA THR 4 HA THR 4 -1.956 1.561 -11.829 20 HB THR 4 HB THR 4 -4.417 1.978 -12.267 21 HG1 THR 4 HG1 THR 4 -5.791 1.858 -10.620 22 HG21 THR 4 1HG2 THR 4 -5.065 -0.292 -11.879 23 HG22 THR 4 2HG2 THR 4 -3.812 -0.498 -10.878 24 HG23 THR 4 3HG2 THR 4 -3.555 -0.282 -12.459 25 H PHE 5 H PHE 5 -1.799 3.492 -9.367 26 HA PHE 5 HA PHE 5 -2.921 5.867 -10.086 27 HB2 PHE 5 1HB PHE 5 -1.917 5.355 -7.921 28 HB3 PHE 5 2HB PHE 5 -0.438 5.430 -8.610 29 HD1 PHE 5 HD1 PHE 5 0.716 7.506 -8.865 30 HD2 PHE 5 HD2 PHE 5 -3.253 7.455 -7.615 31 HE1 PHE 5 HE1 PHE 5 0.928 9.793 -8.123 32 HE2 PHE 5 HE2 PHE 5 -3.082 9.776 -6.981 33 HZ PHE 5 HZ PHE 5 -0.986 10.940 -7.221 34 H CYS 6 H CYS 6 0.233 4.703 -10.943 35 HA CYS 6 HA CYS 6 0.578 7.021 -12.639 36 HB2 CYS 6 1HB CYS 6 2.236 6.934 -11.122 37 HB3 CYS 6 2HB CYS 6 2.429 5.325 -11.322 38 H GLN 7 H GLN 7 0.053 3.698 -12.758 39 HA GLN 7 HA GLN 7 1.211 3.180 -15.208 40 HB2 GLN 7 1HB GLN 7 -0.933 1.941 -13.782 41 HB3 GLN 7 2HB GLN 7 -0.403 1.332 -15.201 42 HG2 GLN 7 1HG GLN 7 1.744 0.999 -14.211 43 HG3 GLN 7 2HG GLN 7 1.136 1.511 -12.784 44 HE21 GLN 7 1HE2 GLN 7 -0.253 -1.483 -11.857 45 HE22 GLN 7 2HE2 GLN 7 0.122 0.156 -11.441 46 H GLY 8 H GLY 8 0.684 3.679 -17.266 47 HA2 GLY 8 1HA GLY 8 -0.721 4.220 -18.968 48 HA3 GLY 8 2HA GLY 8 -2.016 4.035 -17.991 49 H LYS 9 H LYS 9 0.397 6.150 -16.899 50 HA LYS 9 HA LYS 9 -1.222 8.436 -17.661 51 HB2 LYS 9 1HB LYS 9 0.073 7.914 -15.191 52 HB3 LYS 9 2HB LYS 9 -0.051 9.470 -15.671 53 HG2 LYS 9 1HG LYS 9 -1.885 9.167 -14.399 54 HG3 LYS 9 2HG LYS 9 -2.455 9.010 -15.922 55 HD2 LYS 9 1HD LYS 9 -2.423 6.694 -15.743 56 HD3 LYS 9 2HD LYS 9 -1.710 6.786 -14.277 57 HE2 LYS 9 1HE LYS 9 -3.649 7.653 -13.336 58 HE3 LYS 9 2HE LYS 9 -4.362 7.740 -14.803 59 HZ1 LYS 9 1HZ LYS 9 -5.049 5.749 -13.678 60 HZ2 LYS 9 2HZ LYS 9 -3.505 5.283 -13.556 61 HZ3 LYS 9 3HZ LYS 9 -4.211 5.369 -15.008 62 H ALA 10 H ALA 10 -0.004 10.460 -18.030 63 HA ALA 10 HA ALA 10 2.395 9.983 -19.442 64 HB1 ALA 10 1HB ALA 10 0.981 11.771 -20.146 65 HB2 ALA 10 2HB ALA 10 2.415 12.392 -19.732 66 HB3 ALA 10 3HB ALA 10 1.160 12.511 -18.720 67 H ASP 11 H ASP 11 4.553 10.416 -18.750 68 HA ASP 11 HA ASP 11 5.033 10.425 -16.024 69 HB2 ASP 11 1HB ASP 11 6.733 10.840 -18.277 70 HB3 ASP 11 2HB ASP 11 7.326 11.180 -16.793 71 H GLY 12 H GLY 12 5.683 12.152 -14.603 72 HA2 GLY 12 1HA GLY 12 6.181 14.672 -14.956 73 HA3 GLY 12 2HA GLY 12 4.621 14.683 -15.437 74 H LEU 13 H LEU 13 4.814 16.328 -13.500 75 HA LEU 13 HA LEU 13 4.529 14.918 -11.050 76 HB2 LEU 13 1HB LEU 13 4.658 17.775 -11.479 77 HB3 LEU 13 2HB LEU 13 4.666 17.081 -10.001 78 HG LEU 13 HG LEU 13 6.823 17.124 -11.880 79 HD11 LEU 13 1HD1 LEU 13 7.948 18.264 -10.034 80 HD12 LEU 13 2HD1 LEU 13 6.617 18.102 -9.131 81 HD13 LEU 13 3HD1 LEU 13 6.601 19.067 -10.428 82 HD21 LEU 13 1HD2 LEU 13 8.122 15.808 -10.415 83 HD22 LEU 13 2HD2 LEU 13 6.858 14.966 -10.969 84 HD23 LEU 13 3HD2 LEU 13 6.831 15.572 -9.470 85 H TYR 14 H TYR 14 2.781 15.040 -9.617 86 HA TYR 14 HA TYR 14 0.341 16.146 -10.713 87 HB2 TYR 14 1HB TYR 14 0.698 13.466 -9.686 88 HB3 TYR 14 2HB TYR 14 -0.784 14.115 -9.910 89 HD1 TYR 14 HD1 TYR 14 2.106 12.881 -11.606 90 HD2 TYR 14 HD2 TYR 14 -1.774 14.254 -12.137 91 HE1 TYR 14 HE1 TYR 14 2.173 12.150 -13.904 92 HE2 TYR 14 HE2 TYR 14 -1.719 13.508 -14.444 93 HH TYR 14 HH TYR 14 0.244 11.380 -15.686 94 HA PRO 15 HA PRO 15 -0.008 17.808 -6.820 95 HB2 PRO 15 1HB PRO 15 -2.654 18.113 -6.353 96 HB3 PRO 15 2HB PRO 15 -1.944 19.017 -7.513 97 HG2 PRO 15 1HG PRO 15 -3.344 16.551 -7.841 98 HG3 PRO 15 2HG PRO 15 -3.554 17.936 -8.680 99 HD2 PRO 15 1HD PRO 15 -2.088 16.071 -9.698 100 HD3 PRO 15 2HD PRO 15 -1.629 17.627 -9.889 101 H ASN 16 H ASN 16 0.215 17.551 -4.818 102 HA ASN 16 HA ASN 16 -0.167 14.943 -3.800 103 HB2 ASN 16 1HB ASN 16 1.237 15.723 -2.025 104 HB3 ASN 16 2HB ASN 16 1.872 16.231 -3.441 105 HD21 ASN 16 1HD2 ASN 16 1.196 18.818 -0.680 106 HD22 ASN 16 2HD2 ASN 16 1.457 17.116 -0.493 107 HA PRO 17 HA PRO 17 -3.621 15.728 -1.584 108 HB2 PRO 17 1HB PRO 17 -3.637 14.047 0.539 109 HB3 PRO 17 2HB PRO 17 -3.575 13.383 -0.951 110 HG2 PRO 17 1HG PRO 17 -1.380 14.005 0.762 111 HG3 PRO 17 2HG PRO 17 -1.705 12.574 0.044 112 HD2 PRO 17 1HD PRO 17 -0.028 14.199 -1.071 113 HD3 PRO 17 2HD PRO 17 -1.037 13.323 -2.010 114 H ARG 18 H ARG 18 -0.984 16.504 0.426 115 HA ARG 18 HA ARG 18 -2.697 18.256 1.845 116 HB2 ARG 18 1HB ARG 18 -2.795 16.266 3.223 117 HB3 ARG 18 2HB ARG 18 -1.170 16.111 3.155 118 HG2 ARG 18 1HG ARG 18 -0.948 18.001 4.594 119 HG3 ARG 18 2HG ARG 18 -2.575 18.103 4.690 120 HD2 ARG 18 1HD ARG 18 -2.706 16.081 5.816 121 HD3 ARG 18 2HD ARG 18 -1.128 15.765 5.535 122 HE ARG 18 HE ARG 18 -0.478 17.101 7.275 123 HH11 ARG 18 1HH1 ARG 18 -3.941 17.467 6.719 124 HH12 ARG 18 2HH1 ARG 18 -4.172 18.326 8.205 125 HH21 ARG 18 1HH2 ARG 18 -0.857 18.202 9.151 126 HH22 ARG 18 2HH2 ARG 18 -2.454 18.735 9.559 127 H GLU 19 H GLU 19 0.537 17.256 1.504 128 HA GLU 19 HA GLU 19 1.542 19.131 3.245 129 HB2 GLU 19 1HB GLU 19 3.105 17.835 1.181 130 HB3 GLU 19 2HB GLU 19 3.653 18.292 2.650 131 HG2 GLU 19 1HG GLU 19 3.482 16.118 3.086 132 HG3 GLU 19 2HG GLU 19 1.927 16.508 3.401 133 H ARG 20 H ARG 20 3.285 20.779 2.803 134 HA ARG 20 HA ARG 20 2.272 22.497 0.800 135 HB2 ARG 20 1HB ARG 20 2.976 23.333 2.976 136 HB3 ARG 20 2HB ARG 20 4.513 22.907 2.623 137 HG2 ARG 20 1HG ARG 20 4.211 25.255 2.425 138 HG3 ARG 20 2HG ARG 20 4.630 24.602 0.988 139 HD2 ARG 20 1HD ARG 20 2.465 24.758 0.194 140 HD3 ARG 20 2HD ARG 20 1.885 25.116 1.678 141 HE ARG 20 HE ARG 20 3.167 26.920 -0.133 142 HH11 ARG 20 1HH1 ARG 20 1.835 26.516 3.108 143 HH12 ARG 20 2HH1 ARG 20 1.732 28.226 3.365 144 HH21 ARG 20 1HH2 ARG 20 3.023 29.080 0.284 145 HH22 ARG 20 2HH2 ARG 20 2.394 29.651 1.793 146 H SER 21 H SER 21 5.029 20.549 1.142 147 HA SER 21 HA SER 21 6.211 21.783 -1.153 148 HB2 SER 21 1HB SER 21 7.625 21.893 0.832 149 HB3 SER 21 2HB SER 21 7.532 20.271 1.001 150 HG SER 21 HG SER 21 9.497 20.915 0.168 151 H SER 22 H SER 22 4.957 18.782 -0.251 152 HA SER 22 HA SER 22 6.617 17.399 -2.056 153 HB2 SER 22 1HB SER 22 5.468 15.403 -1.353 154 HB3 SER 22 2HB SER 22 5.763 16.305 -0.024 155 HG SER 22 HG SER 22 3.396 16.217 -1.424 156 H PHE 23 H PHE 23 5.856 15.903 -3.730 157 HA PHE 23 HA PHE 23 3.380 16.664 -4.957 158 HB2 PHE 23 1HB PHE 23 4.486 16.626 -7.147 159 HB3 PHE 23 2HB PHE 23 4.836 17.933 -6.232 160 HD1 PHE 23 HD1 PHE 23 7.020 18.537 -5.847 161 HD2 PHE 23 HD2 PHE 23 6.216 14.676 -7.118 162 HE1 PHE 23 HE1 PHE 23 9.385 18.123 -6.059 163 HE2 PHE 23 HE2 PHE 23 8.573 14.259 -7.378 164 HZ PHE 23 HZ PHE 23 10.164 15.986 -6.835 165 H TYR 24 H TYR 24 2.828 15.018 -6.727 166 HA TYR 24 HA TYR 24 3.877 12.408 -6.062 167 HB2 TYR 24 1HB TYR 24 1.575 13.194 -7.560 168 HB3 TYR 24 2HB TYR 24 2.187 11.689 -7.727 169 HD1 TYR 24 HD1 TYR 24 2.448 10.347 -5.471 170 HD2 TYR 24 HD2 TYR 24 -0.149 13.517 -6.058 171 HE1 TYR 24 HE1 TYR 24 1.067 9.552 -3.645 172 HE2 TYR 24 HE2 TYR 24 -1.533 12.733 -4.244 173 HH TYR 24 HH TYR 24 -2.022 10.471 -3.096 174 H SER 25 H SER 25 5.064 11.308 -7.758 175 HA SER 25 HA SER 25 5.389 12.780 -10.218 176 HB2 SER 25 1HB SER 25 7.385 13.157 -8.993 177 HB3 SER 25 2HB SER 25 7.567 11.551 -8.753 178 HG SER 25 HG SER 25 8.891 12.165 -10.382 179 H CYS 26 H CYS 26 5.113 11.589 -12.001 180 HA CYS 26 HA CYS 26 4.946 8.683 -11.742 181 HB2 CYS 26 1HB CYS 26 3.012 9.799 -12.387 182 HB3 CYS 26 2HB CYS 26 3.817 10.397 -13.677 183 H ALA 27 H ALA 27 6.812 7.712 -12.515 184 HA ALA 27 HA ALA 27 8.191 8.978 -14.686 185 HB1 ALA 27 1HB ALA 27 9.291 9.896 -12.737 186 HB2 ALA 27 2HB ALA 27 10.324 8.924 -13.512 187 HB3 ALA 27 3HB ALA 27 9.572 8.404 -12.179 188 H ALA 28 H ALA 28 8.665 7.517 -16.205 189 HA ALA 28 HA ALA 28 8.841 5.537 -17.154 190 HB1 ALA 28 1HB ALA 28 11.006 5.445 -16.058 191 HB2 ALA 28 2HB ALA 28 10.429 3.944 -16.229 192 HB3 ALA 28 3HB ALA 28 10.342 4.685 -14.795 193 H GLY 29 H GLY 29 6.456 6.000 -15.682 194 HA2 GLY 29 1HA GLY 29 4.595 4.771 -15.294 195 HA3 GLY 29 2HA GLY 29 5.394 3.402 -15.689 196 H ARG 30 H ARG 30 7.039 5.022 -13.320 197 HA ARG 30 HA ARG 30 5.916 3.317 -11.278 198 HB2 ARG 30 1HB ARG 30 8.604 4.393 -11.311 199 HB3 ARG 30 2HB ARG 30 8.044 3.303 -10.232 200 HG2 ARG 30 1HG ARG 30 8.545 2.781 -13.017 201 HG3 ARG 30 2HG ARG 30 9.442 2.222 -11.771 202 HD2 ARG 30 1HD ARG 30 7.613 0.866 -11.058 203 HD3 ARG 30 2HD ARG 30 6.709 1.430 -12.296 204 HE ARG 30 HE ARG 30 7.842 0.125 -13.813 205 HH11 ARG 30 1HH1 ARG 30 9.242 -0.190 -10.594 206 HH12 ARG 30 2HH1 ARG 30 10.157 -1.592 -11.039 207 HH21 ARG 30 1HH2 ARG 30 9.044 -1.667 -14.298 208 HH22 ARG 30 2HH2 ARG 30 10.045 -2.411 -13.097 209 H LEU 31 H LEU 31 5.677 4.097 -9.117 210 HA LEU 31 HA LEU 31 5.054 6.860 -9.138 211 HB2 LEU 31 1HB LEU 31 3.924 4.759 -7.955 212 HB3 LEU 31 2HB LEU 31 4.667 5.488 -6.697 213 HG LEU 31 HG LEU 31 2.630 6.676 -8.323 214 HD11 LEU 31 1HD1 LEU 31 1.278 6.506 -6.292 215 HD12 LEU 31 2HD1 LEU 31 2.517 5.787 -5.541 216 HD13 LEU 31 3HD1 LEU 31 1.762 5.036 -6.758 217 HD21 LEU 31 1HD2 LEU 31 2.608 8.527 -6.833 218 HD22 LEU 31 2HD2 LEU 31 4.038 8.408 -7.577 219 HD23 LEU 31 3HD2 LEU 31 3.880 7.912 -6.046 220 H PHE 32 H PHE 32 6.181 8.494 -8.241 221 HA PHE 32 HA PHE 32 8.020 7.825 -6.108 222 HB2 PHE 32 1HB PHE 32 8.473 9.661 -8.269 223 HB3 PHE 32 2HB PHE 32 9.316 9.787 -6.876 224 HD1 PHE 32 HD1 PHE 32 8.693 7.554 -9.638 225 HD2 PHE 32 HD2 PHE 32 11.235 8.471 -6.483 226 HE1 PHE 32 HE1 PHE 32 10.293 5.955 -10.475 227 HE2 PHE 32 HE2 PHE 32 12.841 6.858 -7.295 228 HZ PHE 32 HZ PHE 32 12.382 5.614 -9.308 229 H GLN 33 H GLN 33 7.717 9.096 -4.227 230 HA GLN 33 HA GLN 33 5.979 11.434 -4.489 231 HB2 GLN 33 1HB GLN 33 6.075 9.534 -2.367 232 HB3 GLN 33 2HB GLN 33 5.412 11.014 -2.172 233 HG2 GLN 33 1HG GLN 33 3.715 10.555 -3.657 234 HG3 GLN 33 2HG GLN 33 4.481 9.230 -4.228 235 HE21 GLN 33 1HE2 GLN 33 2.458 8.986 -0.744 236 HE22 GLN 33 2HE2 GLN 33 3.099 10.498 -1.294 237 H GLN 34 H GLN 34 7.263 13.242 -4.386 238 HA GLN 34 HA GLN 34 9.533 13.223 -2.602 239 HB2 GLN 34 1HB GLN 34 9.720 13.618 -5.447 240 HB3 GLN 34 2HB GLN 34 10.899 14.127 -4.438 241 HG2 GLN 34 1HG GLN 34 11.358 11.912 -3.806 242 HG3 GLN 34 2HG GLN 34 10.120 11.370 -4.724 243 HE21 GLN 34 1HE2 GLN 34 13.688 11.610 -6.291 244 HE22 GLN 34 2HE2 GLN 34 13.331 11.666 -4.597 245 H SER 35 H SER 35 10.666 15.577 -2.805 246 HA SER 35 HA SER 35 8.471 17.402 -2.842 247 HB2 SER 35 1HB SER 35 9.506 18.476 -0.820 248 HB3 SER 35 2HB SER 35 9.056 16.934 -0.524 249 HG SER 35 HG SER 35 11.094 17.222 0.235 250 H CYS 36 H CYS 36 8.740 19.641 -3.053 251 HA CYS 36 HA CYS 36 11.101 20.398 -4.552 252 HB2 CYS 36 1HB CYS 36 8.392 21.057 -4.784 253 HB3 CYS 36 2HB CYS 36 9.433 22.290 -5.034 254 HA PRO 37 HA PRO 37 11.266 22.601 -0.718 255 HB2 PRO 37 1HB PRO 37 13.903 22.658 -0.234 256 HB3 PRO 37 2HB PRO 37 13.117 21.234 -0.091 257 HG2 PRO 37 1HG PRO 37 14.625 22.184 -2.324 258 HG3 PRO 37 2HG PRO 37 14.673 20.700 -1.643 259 HD2 PRO 37 1HD PRO 37 13.256 21.176 -3.809 260 HD3 PRO 37 2HD PRO 37 12.829 20.009 -2.751 261 H THR 38 H THR 38 14.216 23.943 -1.904 262 HA THR 38 HA THR 38 13.216 26.400 -1.096 263 HB THR 38 HB THR 38 15.570 27.052 -2.079 264 HG1 THR 38 HG1 THR 38 16.090 24.403 -1.710 265 HG21 THR 38 1HG2 THR 38 16.634 26.264 -0.077 266 HG22 THR 38 2HG2 THR 38 15.389 25.274 0.214 267 HG23 THR 38 3HG2 THR 38 15.189 26.876 0.315 268 H GLY 39 H GLY 39 11.970 27.763 -2.157 269 HA2 GLY 39 1HA GLY 39 11.543 29.253 -3.787 270 HA3 GLY 39 2HA GLY 39 12.940 28.855 -4.534 271 H LEU 40 H LEU 40 11.215 26.110 -4.215 272 HA LEU 40 HA LEU 40 10.341 26.307 -6.945 273 HB2 LEU 40 1HB LEU 40 10.970 23.981 -5.350 274 HB3 LEU 40 2HB LEU 40 10.356 23.857 -6.858 275 HG LEU 40 HG LEU 40 12.920 25.034 -6.311 276 HD11 LEU 40 1HD1 LEU 40 13.866 22.951 -7.084 277 HD12 LEU 40 2HD1 LEU 40 12.380 22.327 -7.216 278 HD13 LEU 40 3HD1 LEU 40 12.976 22.696 -5.759 279 HD21 LEU 40 1HD2 LEU 40 13.313 24.827 -8.660 280 HD22 LEU 40 2HD2 LEU 40 12.028 25.771 -8.391 281 HD23 LEU 40 3HD2 LEU 40 11.821 24.239 -8.864 282 H VAL 41 H VAL 41 8.257 26.099 -7.563 283 HA VAL 41 HA VAL 41 6.411 25.197 -5.550 284 HB VAL 41 HB VAL 41 4.750 26.779 -6.447 285 HG11 VAL 41 1HG1 VAL 41 5.644 28.711 -5.290 286 HG12 VAL 41 2HG1 VAL 41 7.111 28.033 -5.291 287 HG13 VAL 41 3HG1 VAL 41 5.917 27.374 -4.423 288 HG21 VAL 41 1HG2 VAL 41 5.495 28.624 -7.801 289 HG22 VAL 41 2HG2 VAL 41 5.711 27.232 -8.595 290 HG23 VAL 41 3HG2 VAL 41 6.970 27.967 -7.895 291 H PHE 42 H PHE 42 4.656 23.847 -6.277 292 HA PHE 42 HA PHE 42 5.217 22.605 -8.752 293 HB2 PHE 42 1HB PHE 42 4.475 21.171 -7.077 294 HB3 PHE 42 2HB PHE 42 3.145 22.081 -6.811 295 HD1 PHE 42 HD1 PHE 42 4.531 20.594 -9.839 296 HD2 PHE 42 HD2 PHE 42 1.206 20.879 -7.360 297 HE1 PHE 42 HE1 PHE 42 3.259 19.283 -11.399 298 HE2 PHE 42 HE2 PHE 42 -0.059 19.528 -8.913 299 HZ PHE 42 HZ PHE 42 0.984 18.707 -10.920 300 H SER 43 H SER 43 4.271 22.948 -10.726 301 HA SER 43 HA SER 43 1.892 24.589 -10.745 302 HB2 SER 43 1HB SER 43 3.674 25.798 -11.729 303 HB3 SER 43 2HB SER 43 3.973 24.565 -12.756 304 HG SER 43 HG SER 43 2.750 25.626 -14.027 305 H ASN 44 H ASN 44 0.159 23.356 -11.083 306 HA ASN 44 HA ASN 44 0.370 20.834 -12.138 307 HB2 ASN 44 1HB ASN 44 -1.429 21.522 -10.668 308 HB3 ASN 44 2HB ASN 44 -2.053 22.427 -11.875 309 HD21 ASN 44 1HD2 ASN 44 -4.184 19.926 -12.827 310 HD22 ASN 44 2HD2 ASN 44 -3.928 21.608 -12.507 311 H SER 45 H SER 45 -0.142 23.791 -13.727 312 HA SER 45 HA SER 45 -1.347 22.774 -15.997 313 HB2 SER 45 1HB SER 45 -0.581 24.972 -16.988 314 HB3 SER 45 2HB SER 45 -1.519 25.102 -15.657 315 HG SER 45 HG SER 45 0.096 25.717 -14.474 316 H CYS 46 H CYS 46 1.968 23.012 -15.131 317 HA CYS 46 HA CYS 46 2.713 22.092 -17.743 318 HB2 CYS 46 1HB CYS 46 4.918 22.647 -17.212 319 HB3 CYS 46 2HB CYS 46 3.937 23.924 -16.934 320 H LYS 47 H LYS 47 1.902 20.836 -14.899 321 HA LYS 47 HA LYS 47 2.361 18.946 -13.773 322 HB2 LYS 47 1HB LYS 47 3.172 17.877 -16.331 323 HB3 LYS 47 2HB LYS 47 2.856 16.956 -15.020 324 HG2 LYS 47 1HG LYS 47 0.865 18.591 -16.300 325 HG3 LYS 47 2HG LYS 47 1.045 16.996 -16.604 326 HD2 LYS 47 1HD LYS 47 0.559 16.513 -14.330 327 HD3 LYS 47 2HD LYS 47 0.367 18.107 -14.035 328 HE2 LYS 47 1HE LYS 47 -1.481 18.148 -15.510 329 HE3 LYS 47 2HE LYS 47 -1.297 16.547 -15.772 330 HZ1 LYS 47 1HZ LYS 47 -2.944 16.916 -14.098 331 HZ2 LYS 47 2HZ LYS 47 -1.861 17.718 -13.204 332 HZ3 LYS 47 3HZ LYS 47 -1.679 16.132 -13.464 333 H CYS 48 H CYS 48 4.249 20.885 -13.537 334 HA CYS 48 HA CYS 48 6.664 19.430 -13.162 335 HB2 CYS 48 1HB CYS 48 7.953 20.657 -14.513 336 HB3 CYS 48 2HB CYS 48 6.612 20.368 -15.400 337 H CYS 49 H CYS 49 8.403 20.774 -12.042 338 HA CYS 49 HA CYS 49 7.111 22.542 -10.162 339 HB2 CYS 49 1HB CYS 49 9.121 20.767 -9.950 340 HB3 CYS 49 2HB CYS 49 9.711 22.244 -9.578 341 H THR 50 H THR 50 7.616 24.764 -10.107 342 HA THR 50 HA THR 50 9.540 25.591 -12.065 343 HB THR 50 HB THR 50 8.107 27.628 -12.408 344 HG1 THR 50 HG1 THR 50 5.848 26.993 -11.654 345 HG21 THR 50 1HG2 THR 50 6.446 26.539 -13.746 346 HG22 THR 50 2HG2 THR 50 6.749 25.132 -13.009 347 HG23 THR 50 3HG2 THR 50 7.862 25.793 -13.977 348 H TRP 51 H TRP 51 10.848 27.452 -11.616 349 HA TRP 51 HA TRP 51 11.237 27.997 -8.903 350 HB2 TRP 51 1HB TRP 51 13.018 28.205 -10.492 351 HB3 TRP 51 2HB TRP 51 12.236 29.450 -11.203 352 HD1 TRP 51 HD1 TRP 51 12.971 29.009 -7.564 353 HE1 TRP 51 HE1 TRP 51 14.166 30.993 -6.597 354 HE3 TRP 51 HE3 TRP 51 13.500 31.545 -11.834 355 HZ2 TRP 51 HZ2 TRP 51 15.197 33.394 -7.670 356 HZ3 TRP 51 HZ3 TRP 51 14.612 33.696 -11.795 357 HH2 TRP 51 HH2 TRP 51 15.444 34.608 -9.715 358 H ASN 52 H ASN 52 10.352 29.603 -7.608 359 HA ASN 52 HA ASN 52 8.321 31.181 -8.785 360 HB2 ASN 52 1HB ASN 52 8.016 30.218 -6.593 361 HB3 ASN 52 2HB ASN 52 9.166 31.226 -6.019 362 HD21 ASN 52 1HD2 ASN 52 6.476 33.184 -4.990 363 HD22 ASN 52 2HD2 ASN 52 7.691 32.061 -4.477 364 H GLY 53 H GLY 53 9.982 32.221 -10.224 365 HA2 GLY 53 1HA GLY 53 10.972 34.632 -8.974 366 HA3 GLY 53 2HA GLY 53 11.961 33.746 -9.926 367 H LEU 54 H LEU 54 8.670 34.892 -10.123 368 HA LEU 54 HA LEU 54 8.667 35.140 -12.862 369 HB2 LEU 54 1HB LEU 54 6.687 35.049 -11.450 370 HB3 LEU 54 2HB LEU 54 6.966 36.602 -11.027 371 HG LEU 54 HG LEU 54 6.685 36.208 -13.797 372 HD11 LEU 54 1HD1 LEU 54 4.295 35.948 -13.704 373 HD12 LEU 54 2HD1 LEU 54 4.371 35.827 -12.094 374 HD13 LEU 54 3HD1 LEU 54 5.018 34.672 -13.022 375 HD21 LEU 54 1HD2 LEU 54 5.393 38.209 -13.679 376 HD22 LEU 54 2HD2 LEU 54 6.812 38.418 -12.931 377 HD23 LEU 54 3HD2 LEU 54 5.469 38.173 -12.064 378 H VAL 55 H VAL 55 9.336 36.620 -14.328 379 HA VAL 55 HA VAL 55 10.071 39.229 -13.298 380 HB VAL 55 HB VAL 55 11.380 37.940 -15.540 381 HG11 VAL 55 1HG1 VAL 55 12.961 39.754 -15.440 382 HG12 VAL 55 2HG1 VAL 55 12.114 40.432 -14.241 383 HG13 VAL 55 3HG1 VAL 55 11.478 40.331 -15.724 384 HG21 VAL 55 1HG2 VAL 55 13.294 37.678 -14.079 385 HG22 VAL 55 2HG2 VAL 55 12.031 36.867 -13.478 386 HG23 VAL 55 3HG2 VAL 55 12.444 38.300 -12.852 387 HA PRO 56 HA PRO 56 6.952 40.174 -16.250 388 HB2 PRO 56 1HB PRO 56 6.306 42.645 -15.544 389 HB3 PRO 56 2HB PRO 56 6.104 41.490 -14.407 390 HG2 PRO 56 1HG PRO 56 8.320 43.253 -14.732 391 HG3 PRO 56 2HG PRO 56 7.500 42.922 -13.359 392 HD2 PRO 56 1HD PRO 56 9.770 41.684 -13.963 393 HD3 PRO 56 2HD PRO 56 8.637 40.985 -13.017 394 H ARG 57 H ARG 57 9.883 40.927 -16.813 395 HA ARG 57 HA ARG 57 9.292 42.329 -19.239 396 HB2 ARG 57 1HB ARG 57 10.874 44.035 -18.902 397 HB3 ARG 57 2HB ARG 57 9.802 44.078 -17.671 398 HG2 ARG 57 1HG ARG 57 11.639 44.252 -16.446 399 HG3 ARG 57 2HG ARG 57 11.636 42.623 -16.565 400 HD2 ARG 57 1HD ARG 57 13.047 42.918 -18.568 401 HD3 ARG 57 2HD ARG 57 13.245 44.462 -18.077 402 HE ARG 57 HE ARG 57 14.154 43.454 -15.954 403 HH11 ARG 57 1HH1 ARG 57 14.534 41.953 -19.121 404 HH12 ARG 57 2HH1 ARG 57 15.998 41.152 -18.656 405 HH21 ARG 57 1HH2 ARG 57 16.037 42.419 -15.454 406 HH22 ARG 57 2HH2 ARG 57 16.832 41.412 -16.617 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 5.993 -6.831 -5.334 2 H2 GLY 1 2H GLY 1 6.091 -5.410 -4.569 3 H3 GLY 1 3H GLY 1 7.074 -5.727 -5.813 4 HA2 GLY 1 1HA GLY 1 5.221 -5.745 -7.283 5 HA3 GLY 1 2HA GLY 1 4.228 -5.424 -6.027 6 H SER 2 H SER 2 3.598 -3.604 -7.544 7 HA SER 2 HA SER 2 5.222 -1.297 -6.873 8 HB2 SER 2 1HB SER 2 4.122 -1.754 -9.532 9 HB3 SER 2 2HB SER 2 4.927 -0.403 -9.092 10 HG SER 2 HG SER 2 5.971 -2.945 -9.282 11 HA PRO 3 HA PRO 3 1.212 0.078 -5.880 12 HB2 PRO 3 1HB PRO 3 1.293 2.728 -5.949 13 HB3 PRO 3 2HB PRO 3 2.103 1.947 -4.765 14 HG2 PRO 3 1HG PRO 3 3.149 2.950 -7.227 15 HG3 PRO 3 2HG PRO 3 3.768 3.141 -5.728 16 HD2 PRO 3 1HD PRO 3 4.715 1.298 -7.308 17 HD3 PRO 3 2HD PRO 3 4.646 1.037 -5.697 18 H THR 4 H THR 4 -0.776 0.367 -6.757 19 HA THR 4 HA THR 4 -0.809 0.416 -9.557 20 HB THR 4 HB THR 4 -3.308 0.416 -9.193 21 HG1 THR 4 HG1 THR 4 -4.045 0.616 -7.251 22 HG21 THR 4 1HG2 THR 4 -3.320 -1.853 -8.379 23 HG22 THR 4 2HG2 THR 4 -1.802 -1.688 -7.847 24 HG23 THR 4 3HG2 THR 4 -2.106 -1.697 -9.435 25 H PHE 5 H PHE 5 -0.759 2.751 -7.264 26 HA PHE 5 HA PHE 5 -2.327 4.739 -8.228 27 HB2 PHE 5 1HB PHE 5 -1.197 4.811 -6.095 28 HB3 PHE 5 2HB PHE 5 0.243 4.940 -6.855 29 HD1 PHE 5 HD1 PHE 5 1.063 7.051 -7.643 30 HD2 PHE 5 HD2 PHE 5 -2.724 6.760 -5.954 31 HE1 PHE 5 HE1 PHE 5 1.007 9.449 -7.399 32 HE2 PHE 5 HE2 PHE 5 -2.810 9.171 -5.743 33 HZ PHE 5 HZ PHE 5 -0.927 10.509 -6.446 34 H CYS 6 H CYS 6 0.713 3.791 -9.487 35 HA CYS 6 HA CYS 6 0.651 6.048 -11.272 36 HB2 CYS 6 1HB CYS 6 2.563 5.896 -9.881 37 HB3 CYS 6 2HB CYS 6 2.902 4.436 -10.530 38 H GLN 7 H GLN 7 0.120 2.800 -11.229 39 HA GLN 7 HA GLN 7 1.145 2.140 -13.751 40 HB2 GLN 7 1HB GLN 7 -0.699 0.874 -11.975 41 HB3 GLN 7 2HB GLN 7 -0.336 0.208 -13.422 42 HG2 GLN 7 1HG GLN 7 1.942 0.030 -12.777 43 HG3 GLN 7 2HG GLN 7 1.595 0.720 -11.338 44 HE21 GLN 7 1HE2 GLN 7 0.998 -2.254 -9.759 45 HE22 GLN 7 2HE2 GLN 7 1.466 -0.590 -9.656 46 H GLY 8 H GLY 8 0.392 2.534 -15.750 47 HA2 GLY 8 1HA GLY 8 -1.271 2.859 -17.294 48 HA3 GLY 8 2HA GLY 8 -2.404 2.913 -16.118 49 H LYS 9 H LYS 9 -0.050 4.934 -15.163 50 HA LYS 9 HA LYS 9 -1.472 7.191 -16.200 51 HB2 LYS 9 1HB LYS 9 0.129 6.857 -13.867 52 HB3 LYS 9 2HB LYS 9 -0.043 8.369 -14.459 53 HG2 LYS 9 1HG LYS 9 -2.430 8.081 -14.294 54 HG3 LYS 9 2HG LYS 9 -2.155 6.670 -13.519 55 HD2 LYS 9 1HD LYS 9 -0.870 7.869 -11.930 56 HD3 LYS 9 2HD LYS 9 -1.339 9.252 -12.660 57 HE2 LYS 9 1HE LYS 9 -3.559 8.916 -12.042 58 HE3 LYS 9 2HE LYS 9 -3.249 7.388 -11.556 59 HZ1 LYS 9 1HZ LYS 9 -3.432 8.823 -9.672 60 HZ2 LYS 9 2HZ LYS 9 -2.236 9.746 -10.248 61 HZ3 LYS 9 3HZ LYS 9 -1.929 8.233 -9.767 62 H ALA 10 H ALA 10 -0.584 8.947 -17.210 63 HA ALA 10 HA ALA 10 1.739 8.561 -18.685 64 HB1 ALA 10 1HB ALA 10 0.051 10.079 -19.478 65 HB2 ALA 10 2HB ALA 10 1.450 10.881 -19.361 66 HB3 ALA 10 3HB ALA 10 0.316 11.062 -18.222 67 H ASP 11 H ASP 11 3.728 9.879 -18.571 68 HA ASP 11 HA ASP 11 4.727 10.030 -15.971 69 HB2 ASP 11 1HB ASP 11 6.723 10.864 -17.042 70 HB3 ASP 11 2HB ASP 11 6.161 9.534 -17.805 71 H GLY 12 H GLY 12 6.136 12.169 -15.432 72 HA2 GLY 12 1HA GLY 12 5.998 14.515 -15.385 73 HA3 GLY 12 2HA GLY 12 4.420 14.454 -15.800 74 H LEU 13 H LEU 13 4.560 16.118 -13.889 75 HA LEU 13 HA LEU 13 4.489 14.718 -11.415 76 HB2 LEU 13 1HB LEU 13 4.425 17.570 -11.870 77 HB3 LEU 13 2HB LEU 13 4.452 16.908 -10.377 78 HG LEU 13 HG LEU 13 6.636 16.888 -12.240 79 HD11 LEU 13 1HD1 LEU 13 7.685 18.332 -10.590 80 HD12 LEU 13 2HD1 LEU 13 6.349 18.261 -9.683 81 HD13 LEU 13 3HD1 LEU 13 6.315 19.011 -11.115 82 HD21 LEU 13 1HD2 LEU 13 7.950 15.866 -10.554 83 HD22 LEU 13 2HD2 LEU 13 6.729 14.896 -10.980 84 HD23 LEU 13 3HD2 LEU 13 6.648 15.741 -9.604 85 H TYR 14 H TYR 14 2.763 14.711 -9.913 86 HA TYR 14 HA TYR 14 0.241 15.685 -10.937 87 HB2 TYR 14 1HB TYR 14 0.710 13.158 -9.605 88 HB3 TYR 14 2HB TYR 14 -0.796 13.752 -9.818 89 HD1 TYR 14 HD1 TYR 14 2.004 12.324 -11.498 90 HD2 TYR 14 HD2 TYR 14 -1.914 13.613 -11.984 91 HE1 TYR 14 HE1 TYR 14 1.931 11.277 -13.671 92 HE2 TYR 14 HE2 TYR 14 -2.000 12.532 -14.145 93 HH TYR 14 HH TYR 14 -0.181 10.265 -15.190 94 HA PRO 15 HA PRO 15 0.081 17.697 -7.101 95 HB2 PRO 15 1HB PRO 15 -2.522 18.223 -6.732 96 HB3 PRO 15 2HB PRO 15 -1.722 19.002 -7.923 97 HG2 PRO 15 1HG PRO 15 -3.297 16.635 -8.145 98 HG3 PRO 15 2HG PRO 15 -3.393 17.987 -9.057 99 HD2 PRO 15 1HD PRO 15 -2.064 15.965 -9.948 100 HD3 PRO 15 2HD PRO 15 -1.494 17.471 -10.223 101 H ASN 16 H ASN 16 -0.303 17.710 -4.930 102 HA ASN 16 HA ASN 16 -0.758 15.075 -3.945 103 HB2 ASN 16 1HB ASN 16 0.406 15.790 -2.008 104 HB3 ASN 16 2HB ASN 16 1.254 16.290 -3.312 105 HD21 ASN 16 1HD2 ASN 16 0.658 18.934 -0.658 106 HD22 ASN 16 2HD2 ASN 16 0.994 17.242 -0.502 107 HA PRO 17 HA PRO 17 -4.498 16.216 -2.210 108 HB2 PRO 17 1HB PRO 17 -4.936 14.539 -0.169 109 HB3 PRO 17 2HB PRO 17 -4.885 13.925 -1.681 110 HG2 PRO 17 1HG PRO 17 -2.762 14.017 0.235 111 HG3 PRO 17 2HG PRO 17 -3.250 12.733 -0.649 112 HD2 PRO 17 1HD PRO 17 -1.212 14.161 -1.427 113 HD3 PRO 17 2HD PRO 17 -2.209 13.485 -2.530 114 H ARG 18 H ARG 18 -1.941 16.348 0.062 115 HA ARG 18 HA ARG 18 -2.946 18.750 1.086 116 HB2 ARG 18 1HB ARG 18 -4.275 17.145 2.369 117 HB3 ARG 18 2HB ARG 18 -2.887 16.624 3.055 118 HG2 ARG 18 1HG ARG 18 -2.589 18.682 4.122 119 HG3 ARG 18 2HG ARG 18 -3.881 19.309 3.345 120 HD2 ARG 18 1HD ARG 18 -5.276 17.677 4.474 121 HD3 ARG 18 2HD ARG 18 -3.969 17.218 5.339 122 HE ARG 18 HE ARG 18 -4.236 19.912 5.741 123 HH11 ARG 18 1HH1 ARG 18 -6.050 17.001 6.521 124 HH12 ARG 18 2HH1 ARG 18 -6.777 17.722 7.918 125 HH21 ARG 18 1HH2 ARG 18 -5.211 20.766 7.532 126 HH22 ARG 18 2HH2 ARG 18 -6.309 19.819 8.480 127 H GLU 19 H GLU 19 -1.058 16.368 2.765 128 HA GLU 19 HA GLU 19 0.937 16.663 3.793 129 HB2 GLU 19 1HB GLU 19 1.264 15.892 1.377 130 HB3 GLU 19 2HB GLU 19 2.155 17.258 1.288 131 HG2 GLU 19 1HG GLU 19 2.740 15.332 3.328 132 HG3 GLU 19 2HG GLU 19 3.339 15.119 1.823 133 H ARG 20 H ARG 20 2.970 18.550 2.218 134 HA ARG 20 HA ARG 20 2.212 20.961 3.556 135 HB2 ARG 20 1HB ARG 20 4.877 19.806 3.698 136 HB3 ARG 20 2HB ARG 20 4.530 21.300 4.260 137 HG2 ARG 20 1HG ARG 20 3.390 18.915 5.369 138 HG3 ARG 20 2HG ARG 20 4.721 19.638 5.981 139 HD2 ARG 20 1HD ARG 20 3.395 21.612 6.376 140 HD3 ARG 20 2HD ARG 20 2.076 20.771 5.906 141 HE ARG 20 HE ARG 20 2.033 19.596 7.880 142 HH11 ARG 20 1HH1 ARG 20 2.594 19.305 9.990 143 HH12 ARG 20 2HH1 ARG 20 4.000 20.074 10.648 144 HH21 ARG 20 1HH2 ARG 20 4.925 21.604 7.714 145 HH22 ARG 20 2HH2 ARG 20 5.293 21.349 9.387 146 H SER 21 H SER 21 4.629 19.560 1.437 147 HA SER 21 HA SER 21 4.270 21.591 -0.494 148 HB2 SER 21 1HB SER 21 6.877 21.436 0.840 149 HB3 SER 21 2HB SER 21 6.551 22.453 -0.396 150 HG SER 21 HG SER 21 5.669 23.807 0.873 151 H SER 22 H SER 22 3.774 19.044 -0.929 152 HA SER 22 HA SER 22 5.988 18.131 -2.527 153 HB2 SER 22 1HB SER 22 5.597 15.867 -1.674 154 HB3 SER 22 2HB SER 22 6.005 16.874 -0.454 155 HG SER 22 HG SER 22 3.416 16.243 -1.151 156 H PHE 23 H PHE 23 5.405 16.228 -3.941 157 HA PHE 23 HA PHE 23 2.738 16.303 -4.952 158 HB2 PHE 23 1HB PHE 23 4.261 16.740 -7.162 159 HB3 PHE 23 2HB PHE 23 3.063 17.692 -6.592 160 HD1 PHE 23 HD1 PHE 23 3.572 19.711 -5.282 161 HD2 PHE 23 HD2 PHE 23 6.525 17.226 -6.767 162 HE1 PHE 23 HE1 PHE 23 5.234 21.344 -4.686 163 HE2 PHE 23 HE2 PHE 23 8.205 18.862 -6.221 164 HZ PHE 23 HZ PHE 23 7.549 20.913 -5.161 165 H TYR 24 H TYR 24 2.685 14.772 -6.988 166 HA TYR 24 HA TYR 24 4.336 12.513 -6.325 167 HB2 TYR 24 1HB TYR 24 1.909 12.594 -7.896 168 HB3 TYR 24 2HB TYR 24 2.725 11.219 -7.562 169 HD1 TYR 24 HD1 TYR 24 2.854 10.442 -5.158 170 HD2 TYR 24 HD2 TYR 24 0.214 13.375 -6.431 171 HE1 TYR 24 HE1 TYR 24 1.543 10.113 -3.171 172 HE2 TYR 24 HE2 TYR 24 -1.140 13.008 -4.464 173 HH TYR 24 HH TYR 24 -1.600 11.272 -2.791 174 H SER 25 H SER 25 5.217 11.210 -8.140 175 HA SER 25 HA SER 25 5.339 12.591 -10.654 176 HB2 SER 25 1HB SER 25 7.803 11.426 -9.708 177 HB3 SER 25 2HB SER 25 7.631 12.684 -10.735 178 HG SER 25 HG SER 25 7.558 14.044 -9.179 179 H CYS 26 H CYS 26 5.300 11.222 -12.447 180 HA CYS 26 HA CYS 26 5.477 8.401 -11.817 181 HB2 CYS 26 1HB CYS 26 3.762 9.808 -13.506 182 HB3 CYS 26 2HB CYS 26 4.279 8.361 -14.060 183 H ALA 27 H ALA 27 7.155 7.289 -12.654 184 HA ALA 27 HA ALA 27 8.260 8.153 -15.161 185 HB1 ALA 27 1HB ALA 27 9.639 9.342 -13.602 186 HB2 ALA 27 2HB ALA 27 10.527 8.181 -14.293 187 HB3 ALA 27 3HB ALA 27 9.949 7.974 -12.798 188 H ALA 28 H ALA 28 8.640 6.382 -16.430 189 HA ALA 28 HA ALA 28 8.632 4.257 -16.969 190 HB1 ALA 28 1HB ALA 28 10.906 4.319 -16.036 191 HB2 ALA 28 2HB ALA 28 10.310 2.824 -15.886 192 HB3 ALA 28 3HB ALA 28 10.333 3.816 -14.610 193 H GLY 29 H GLY 29 6.387 4.980 -15.390 194 HA2 GLY 29 1HA GLY 29 4.588 3.864 -14.607 195 HA3 GLY 29 2HA GLY 29 5.341 2.438 -14.867 196 H ARG 30 H ARG 30 7.213 4.370 -12.951 197 HA ARG 30 HA ARG 30 6.309 3.020 -10.568 198 HB2 ARG 30 1HB ARG 30 8.944 4.132 -11.014 199 HB3 ARG 30 2HB ARG 30 8.509 3.247 -9.712 200 HG2 ARG 30 1HG ARG 30 8.845 2.253 -12.386 201 HG3 ARG 30 2HG ARG 30 9.802 1.911 -11.107 202 HD2 ARG 30 1HD ARG 30 7.946 0.754 -10.081 203 HD3 ARG 30 2HD ARG 30 7.069 1.020 -11.432 204 HE ARG 30 HE ARG 30 8.319 -0.527 -12.625 205 HH11 ARG 30 1HH1 ARG 30 9.472 -2.402 -12.653 206 HH12 ARG 30 2HH1 ARG 30 10.283 -2.966 -11.230 207 HH21 ARG 30 1HH2 ARG 30 9.307 -0.330 -9.244 208 HH22 ARG 30 2HH2 ARG 30 10.193 -1.816 -9.334 209 H LEU 31 H LEU 31 6.050 4.141 -8.626 210 HA LEU 31 HA LEU 31 5.474 6.881 -9.044 211 HB2 LEU 31 1HB LEU 31 3.887 5.580 -7.825 212 HB3 LEU 31 2HB LEU 31 5.029 5.191 -6.724 213 HG LEU 31 HG LEU 31 5.036 7.459 -5.961 214 HD11 LEU 31 1HD1 LEU 31 3.379 8.991 -6.714 215 HD12 LEU 31 2HD1 LEU 31 2.874 7.915 -7.812 216 HD13 LEU 31 3HD1 LEU 31 4.348 8.567 -7.937 217 HD21 LEU 31 1HD2 LEU 31 2.910 7.375 -4.835 218 HD22 LEU 31 2HD2 LEU 31 3.598 5.912 -4.824 219 HD23 LEU 31 3HD2 LEU 31 2.405 6.237 -5.866 220 H PHE 32 H PHE 32 6.735 8.547 -8.507 221 HA PHE 32 HA PHE 32 8.594 8.189 -6.302 222 HB2 PHE 32 1HB PHE 32 8.884 9.851 -8.604 223 HB3 PHE 32 2HB PHE 32 9.778 10.076 -7.256 224 HD1 PHE 32 HD1 PHE 32 9.067 7.630 -9.819 225 HD2 PHE 32 HD2 PHE 32 11.768 8.842 -6.905 226 HE1 PHE 32 HE1 PHE 32 10.652 6.007 -10.625 227 HE2 PHE 32 HE2 PHE 32 13.361 7.206 -7.696 228 HZ PHE 32 HZ PHE 32 12.811 5.804 -9.569 229 H GLN 33 H GLN 33 8.424 9.869 -4.658 230 HA GLN 33 HA GLN 33 6.279 11.833 -5.084 231 HB2 GLN 33 1HB GLN 33 7.013 10.518 -2.668 232 HB3 GLN 33 2HB GLN 33 6.112 11.880 -2.691 233 HG2 GLN 33 1HG GLN 33 4.358 10.808 -3.754 234 HG3 GLN 33 2HG GLN 33 5.284 9.510 -4.108 235 HE21 GLN 33 1HE2 GLN 33 4.987 7.971 -0.964 236 HE22 GLN 33 2HE2 GLN 33 6.068 8.161 -2.304 237 H GLN 34 H GLN 34 6.933 13.995 -4.858 238 HA GLN 34 HA GLN 34 9.695 14.346 -4.191 239 HB2 GLN 34 1HB GLN 34 8.381 15.425 -6.559 240 HB3 GLN 34 2HB GLN 34 9.836 15.984 -6.071 241 HG2 GLN 34 1HG GLN 34 9.345 13.282 -6.960 242 HG3 GLN 34 2HG GLN 34 10.082 14.430 -7.858 243 HE21 GLN 34 1HE2 GLN 34 12.576 12.146 -6.291 244 HE22 GLN 34 2HE2 GLN 34 11.138 11.873 -7.217 245 H SER 35 H SER 35 10.361 16.624 -3.850 246 HA SER 35 HA SER 35 8.167 18.432 -3.238 247 HB2 SER 35 1HB SER 35 9.335 19.233 -1.328 248 HB3 SER 35 2HB SER 35 8.934 17.663 -1.131 249 HG SER 35 HG SER 35 11.036 18.035 -0.498 250 H CYS 36 H CYS 36 8.929 20.704 -3.669 251 HA CYS 36 HA CYS 36 11.455 20.806 -5.134 252 HB2 CYS 36 1HB CYS 36 9.050 22.142 -5.748 253 HB3 CYS 36 2HB CYS 36 10.489 22.744 -6.231 254 HA PRO 37 HA PRO 37 11.102 23.214 -1.393 255 HB2 PRO 37 1HB PRO 37 13.404 22.672 -0.084 256 HB3 PRO 37 2HB PRO 37 12.212 21.555 -0.082 257 HG2 PRO 37 1HG PRO 37 14.497 21.672 -1.783 258 HG3 PRO 37 2HG PRO 37 13.896 20.372 -0.999 259 HD2 PRO 37 1HD PRO 37 13.363 20.765 -3.519 260 HD3 PRO 37 2HD PRO 37 12.270 20.047 -2.541 261 H THR 38 H THR 38 14.205 23.395 -2.935 262 HA THR 38 HA THR 38 14.281 26.116 -2.147 263 HB THR 38 HB THR 38 16.698 25.737 -3.121 264 HG1 THR 38 HG1 THR 38 16.425 23.198 -2.288 265 HG21 THR 38 1HG2 THR 38 17.430 24.980 -0.950 266 HG22 THR 38 2HG2 THR 38 15.915 24.558 -0.571 267 HG23 THR 38 3HG2 THR 38 16.301 26.119 -0.744 268 H GLY 39 H GLY 39 13.551 27.664 -3.471 269 HA2 GLY 39 1HA GLY 39 13.749 28.963 -5.287 270 HA3 GLY 39 2HA GLY 39 14.876 27.957 -5.907 271 H LEU 40 H LEU 40 12.505 25.884 -5.705 272 HA LEU 40 HA LEU 40 11.397 26.673 -8.250 273 HB2 LEU 40 1HB LEU 40 11.907 23.969 -7.366 274 HB3 LEU 40 2HB LEU 40 11.246 24.349 -8.810 275 HG LEU 40 HG LEU 40 13.976 24.875 -8.109 276 HD11 LEU 40 1HD1 LEU 40 14.467 23.019 -9.614 277 HD12 LEU 40 2HD1 LEU 40 12.882 22.785 -9.834 278 HD13 LEU 40 3HD1 LEU 40 13.548 22.499 -8.389 279 HD21 LEU 40 1HD2 LEU 40 14.324 25.397 -10.399 280 HD22 LEU 40 2HD2 LEU 40 13.254 26.417 -9.744 281 HD23 LEU 40 3HD2 LEU 40 12.745 25.208 -10.689 282 H VAL 41 H VAL 41 9.154 26.131 -8.678 283 HA VAL 41 HA VAL 41 7.710 25.154 -6.401 284 HB VAL 41 HB VAL 41 5.896 26.813 -6.876 285 HG11 VAL 41 1HG1 VAL 41 6.929 28.567 -5.596 286 HG12 VAL 41 2HG1 VAL 41 8.382 27.905 -5.856 287 HG13 VAL 41 3HG1 VAL 41 7.289 27.127 -4.954 288 HG21 VAL 41 1HG2 VAL 41 6.492 28.807 -8.072 289 HG22 VAL 41 2HG2 VAL 41 6.590 27.525 -9.052 290 HG23 VAL 41 3HG2 VAL 41 7.935 28.171 -8.429 291 H PHE 42 H PHE 42 5.833 23.859 -6.900 292 HA PHE 42 HA PHE 42 5.934 22.776 -9.480 293 HB2 PHE 42 1HB PHE 42 5.358 21.296 -7.776 294 HB3 PHE 42 2HB PHE 42 4.131 22.254 -7.283 295 HD1 PHE 42 HD1 PHE 42 4.977 20.813 -10.524 296 HD2 PHE 42 HD2 PHE 42 2.080 21.183 -7.563 297 HE1 PHE 42 HE1 PHE 42 3.434 19.565 -11.887 298 HE2 PHE 42 HE2 PHE 42 0.537 19.898 -8.893 299 HZ PHE 42 HZ PHE 42 1.214 19.082 -11.069 300 H SER 43 H SER 43 4.916 23.317 -11.315 301 HA SER 43 HA SER 43 2.583 24.998 -11.062 302 HB2 SER 43 1HB SER 43 4.348 26.081 -12.272 303 HB3 SER 43 2HB SER 43 4.338 24.868 -13.366 304 HG SER 43 HG SER 43 2.990 26.058 -14.370 305 H ASN 44 H ASN 44 0.736 23.911 -11.272 306 HA ASN 44 HA ASN 44 0.693 21.358 -12.275 307 HB2 ASN 44 1HB ASN 44 -0.993 22.803 -10.832 308 HB3 ASN 44 2HB ASN 44 -1.821 22.697 -12.236 309 HD21 ASN 44 1HD2 ASN 44 -2.552 19.926 -9.777 310 HD22 ASN 44 2HD2 ASN 44 -2.296 21.621 -9.528 311 H SER 45 H SER 45 0.416 24.280 -13.929 312 HA SER 45 HA SER 45 -1.120 23.379 -16.043 313 HB2 SER 45 1HB SER 45 -0.255 25.416 -17.194 314 HB3 SER 45 2HB SER 45 -0.847 25.744 -15.707 315 HG SER 45 HG SER 45 1.725 25.067 -15.664 316 H CYS 46 H CYS 46 2.291 23.283 -15.526 317 HA CYS 46 HA CYS 46 2.616 22.139 -18.144 318 HB2 CYS 46 1HB CYS 46 4.734 22.796 -18.196 319 HB3 CYS 46 2HB CYS 46 3.982 24.016 -17.412 320 H LYS 47 H LYS 47 2.256 21.209 -15.070 321 HA LYS 47 HA LYS 47 2.607 19.338 -13.942 322 HB2 LYS 47 1HB LYS 47 3.201 17.953 -16.416 323 HB3 LYS 47 2HB LYS 47 2.759 17.225 -15.023 324 HG2 LYS 47 1HG LYS 47 1.012 18.963 -16.504 325 HG3 LYS 47 2HG LYS 47 0.985 17.336 -16.643 326 HD2 LYS 47 1HD LYS 47 0.342 17.131 -14.390 327 HD3 LYS 47 2HD LYS 47 0.431 18.751 -14.200 328 HE2 LYS 47 1HE LYS 47 -1.321 19.018 -15.785 329 HE3 LYS 47 2HE LYS 47 -1.427 17.394 -15.926 330 HZ1 LYS 47 1HZ LYS 47 -3.075 18.192 -14.419 331 HZ2 LYS 47 2HZ LYS 47 -1.923 18.850 -13.495 332 HZ3 LYS 47 3HZ LYS 47 -2.028 17.242 -13.635 333 H CYS 48 H CYS 48 4.708 21.143 -14.239 334 HA CYS 48 HA CYS 48 6.873 19.461 -13.465 335 HB2 CYS 48 1HB CYS 48 8.160 21.406 -14.646 336 HB3 CYS 48 2HB CYS 48 8.013 19.880 -15.209 337 H CYS 49 H CYS 49 8.625 20.719 -12.207 338 HA CYS 49 HA CYS 49 7.477 22.918 -10.826 339 HB2 CYS 49 1HB CYS 49 9.965 21.613 -10.537 340 HB3 CYS 49 2HB CYS 49 9.714 23.057 -9.818 341 H THR 50 H THR 50 8.222 25.103 -10.980 342 HA THR 50 HA THR 50 9.879 25.654 -13.276 343 HB THR 50 HB THR 50 8.535 27.719 -13.562 344 HG1 THR 50 HG1 THR 50 6.391 27.373 -12.441 345 HG21 THR 50 1HG2 THR 50 6.620 26.643 -14.537 346 HG22 THR 50 2HG2 THR 50 6.953 25.282 -13.730 347 HG23 THR 50 3HG2 THR 50 7.938 25.784 -14.910 348 H TRP 51 H TRP 51 11.103 27.763 -13.134 349 HA TRP 51 HA TRP 51 12.258 28.066 -10.610 350 HB2 TRP 51 1HB TRP 51 13.101 28.701 -12.942 351 HB3 TRP 51 2HB TRP 51 12.561 30.171 -12.481 352 HD1 TRP 51 HD1 TRP 51 13.801 28.938 -9.452 353 HE1 TRP 51 HE1 TRP 51 16.161 29.545 -8.875 354 HE3 TRP 51 HE3 TRP 51 15.191 30.464 -14.011 355 HZ2 TRP 51 HZ2 TRP 51 18.353 30.585 -10.320 356 HZ3 TRP 51 HZ3 TRP 51 17.451 31.288 -14.336 357 HH2 TRP 51 HH2 TRP 51 19.013 31.326 -12.496 358 H ASN 52 H ASN 52 11.748 29.371 -8.869 359 HA ASN 52 HA ASN 52 9.219 30.536 -9.084 360 HB2 ASN 52 1HB ASN 52 9.880 29.282 -7.102 361 HB3 ASN 52 2HB ASN 52 10.956 30.457 -6.743 362 HD21 ASN 52 1HD2 ASN 52 8.662 31.852 -4.594 363 HD22 ASN 52 2HD2 ASN 52 10.224 31.130 -4.788 364 H GLY 53 H GLY 53 9.037 32.461 -10.111 365 HA2 GLY 53 1HA GLY 53 8.949 34.724 -9.896 366 HA3 GLY 53 2HA GLY 53 9.914 34.669 -8.580 367 H LEU 54 H LEU 54 11.574 33.054 -10.833 368 HA LEU 54 HA LEU 54 13.265 35.262 -11.265 369 HB2 LEU 54 1HB LEU 54 13.528 32.517 -11.525 370 HB3 LEU 54 2HB LEU 54 14.153 33.254 -12.842 371 HG LEU 54 HG LEU 54 15.836 32.799 -11.303 372 HD11 LEU 54 1HD1 LEU 54 16.856 34.977 -11.103 373 HD12 LEU 54 2HD1 LEU 54 15.443 35.667 -11.483 374 HD13 LEU 54 3HD1 LEU 54 16.227 34.773 -12.579 375 HD21 LEU 54 1HD2 LEU 54 15.883 33.826 -9.118 376 HD22 LEU 54 2HD2 LEU 54 14.615 32.832 -9.260 377 HD23 LEU 54 3HD2 LEU 54 14.406 34.430 -9.381 378 H VAL 55 H VAL 55 14.044 36.058 -13.318 379 HA VAL 55 HA VAL 55 11.869 36.359 -15.118 380 HB VAL 55 HB VAL 55 14.493 37.582 -15.307 381 HG11 VAL 55 1HG1 VAL 55 13.466 39.198 -16.747 382 HG12 VAL 55 2HG1 VAL 55 12.063 38.399 -16.650 383 HG13 VAL 55 3HG1 VAL 55 13.333 37.718 -17.384 384 HG21 VAL 55 1HG2 VAL 55 13.467 39.540 -14.247 385 HG22 VAL 55 2HG2 VAL 55 13.368 38.275 -13.245 386 HG23 VAL 55 3HG2 VAL 55 12.074 38.731 -14.101 387 HA PRO 56 HA PRO 56 13.619 33.210 -17.651 388 HB2 PRO 56 1HB PRO 56 11.564 32.652 -19.211 389 HB3 PRO 56 2HB PRO 56 11.347 32.410 -17.611 390 HG2 PRO 56 1HG PRO 56 10.562 34.664 -19.163 391 HG3 PRO 56 2HG PRO 56 9.673 33.845 -18.064 392 HD2 PRO 56 1HD PRO 56 10.964 36.091 -17.460 393 HD3 PRO 56 2HD PRO 56 10.580 34.976 -16.330 394 H ARG 57 H ARG 57 13.778 36.137 -18.421 395 HA ARG 57 HA ARG 57 14.750 35.653 -21.073 396 HB2 ARG 57 1HB ARG 57 13.622 37.524 -22.004 397 HB3 ARG 57 2HB ARG 57 12.523 36.470 -21.414 398 HG2 ARG 57 1HG ARG 57 11.928 37.840 -19.734 399 HG3 ARG 57 2HG ARG 57 13.344 38.652 -19.771 400 HD2 ARG 57 1HD ARG 57 12.602 39.496 -21.979 401 HD3 ARG 57 2HD ARG 57 11.117 38.965 -21.553 402 HE ARG 57 HE ARG 57 10.848 40.698 -20.101 403 HH11 ARG 57 1HH1 ARG 57 14.220 40.537 -21.130 404 HH12 ARG 57 2HH1 ARG 57 14.597 42.066 -20.409 405 HH21 ARG 57 1HH2 ARG 57 11.425 42.630 -19.209 406 HH22 ARG 57 2HH2 ARG 57 13.046 43.225 -19.344 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 -8.909 -4.800 -4.833 2 H2 GLY 1 2H GLY 1 -8.372 -3.303 -4.543 3 H3 GLY 1 3H GLY 1 -7.722 -4.561 -3.762 4 HA2 GLY 1 1HA GLY 1 -6.842 -5.375 -5.788 5 HA3 GLY 1 2HA GLY 1 -7.498 -4.105 -6.577 6 H SER 2 H SER 2 -5.074 -4.015 -7.239 7 HA SER 2 HA SER 2 -3.303 -2.943 -5.334 8 HB2 SER 2 1HB SER 2 -2.569 -4.043 -7.378 9 HB3 SER 2 2HB SER 2 -3.088 -2.746 -8.223 10 HG SER 2 HG SER 2 -0.813 -3.097 -6.976 11 HA PRO 3 HA PRO 3 -4.847 1.099 -5.484 12 HB2 PRO 3 1HB PRO 3 -2.826 2.665 -4.696 13 HB3 PRO 3 2HB PRO 3 -3.543 1.683 -3.605 14 HG2 PRO 3 1HG PRO 3 -1.147 1.192 -5.082 15 HG3 PRO 3 2HG PRO 3 -1.388 0.996 -3.479 16 HD2 PRO 3 1HD PRO 3 -1.538 -1.053 -5.057 17 HD3 PRO 3 2HD PRO 3 -2.542 -0.949 -3.773 18 H THR 4 H THR 4 -5.519 2.264 -7.054 19 HA THR 4 HA THR 4 -3.884 2.331 -9.346 20 HB THR 4 HB THR 4 -6.001 3.316 -10.368 21 HG1 THR 4 HG1 THR 4 -7.768 3.446 -9.103 22 HG21 THR 4 1HG2 THR 4 -7.226 1.252 -10.267 23 HG22 THR 4 2HG2 THR 4 -6.343 0.770 -9.001 24 HG23 THR 4 3HG2 THR 4 -5.657 0.908 -10.459 25 H PHE 5 H PHE 5 -2.999 4.034 -7.242 26 HA PHE 5 HA PHE 5 -3.762 6.621 -7.688 27 HB2 PHE 5 1HB PHE 5 -2.526 5.873 -5.733 28 HB3 PHE 5 2HB PHE 5 -1.179 5.798 -6.653 29 HD1 PHE 5 HD1 PHE 5 0.026 7.848 -7.300 30 HD2 PHE 5 HD2 PHE 5 -3.428 8.010 -4.987 31 HE1 PHE 5 HE1 PHE 5 0.545 10.134 -6.695 32 HE2 PHE 5 HE2 PHE 5 -2.951 10.304 -4.425 33 HZ PHE 5 HZ PHE 5 -0.958 11.363 -5.266 34 H CYS 6 H CYS 6 -1.127 4.857 -9.079 35 HA CYS 6 HA CYS 6 -0.697 7.022 -10.943 36 HB2 CYS 6 1HB CYS 6 1.112 6.608 -9.467 37 HB3 CYS 6 2HB CYS 6 1.204 5.082 -10.042 38 H GLN 7 H GLN 7 -1.779 3.918 -10.636 39 HA GLN 7 HA GLN 7 -0.852 2.826 -13.013 40 HB2 GLN 7 1HB GLN 7 -3.103 2.143 -11.369 41 HB3 GLN 7 2HB GLN 7 -2.551 1.189 -12.574 42 HG2 GLN 7 1HG GLN 7 -0.513 0.884 -11.412 43 HG3 GLN 7 2HG GLN 7 -1.043 1.859 -10.214 44 HE21 GLN 7 1HE2 GLN 7 -1.395 -1.656 -9.169 45 HE22 GLN 7 2HE2 GLN 7 -0.080 -0.686 -9.744 46 H GLY 8 H GLY 8 -1.469 3.035 -15.085 47 HA2 GLY 8 1HA GLY 8 -2.878 3.554 -16.784 48 HA3 GLY 8 2HA GLY 8 -4.119 3.709 -15.734 49 H LYS 9 H LYS 9 -1.431 5.571 -14.974 50 HA LYS 9 HA LYS 9 -2.731 7.916 -16.055 51 HB2 LYS 9 1HB LYS 9 -1.169 7.670 -13.650 52 HB3 LYS 9 2HB LYS 9 -1.615 9.122 -14.248 53 HG2 LYS 9 1HG LYS 9 -3.922 8.273 -14.102 54 HG3 LYS 9 2HG LYS 9 -3.303 7.109 -13.137 55 HD2 LYS 9 1HD LYS 9 -2.364 8.829 -11.796 56 HD3 LYS 9 2HD LYS 9 -3.192 9.911 -12.697 57 HE2 LYS 9 1HE LYS 9 -5.234 9.065 -11.960 58 HE3 LYS 9 2HE LYS 9 -4.502 7.795 -11.240 59 HZ1 LYS 9 1HZ LYS 9 -5.098 9.422 -9.615 60 HZ2 LYS 9 2HZ LYS 9 -4.214 10.532 -10.391 61 HZ3 LYS 9 3HZ LYS 9 -3.489 9.275 -9.678 62 H ALA 10 H ALA 10 -1.570 9.582 -17.037 63 HA ALA 10 HA ALA 10 0.726 8.744 -18.373 64 HB1 ALA 10 1HB ALA 10 -0.709 10.415 -19.344 65 HB2 ALA 10 2HB ALA 10 0.786 11.019 -19.231 66 HB3 ALA 10 3HB ALA 10 -0.342 11.446 -18.154 67 H ASP 11 H ASP 11 2.913 9.429 -18.175 68 HA ASP 11 HA ASP 11 3.745 9.762 -15.556 69 HB2 ASP 11 1HB ASP 11 5.144 9.842 -18.064 70 HB3 ASP 11 2HB ASP 11 5.954 10.231 -16.700 71 H GLY 12 H GLY 12 5.255 11.533 -14.769 72 HA2 GLY 12 1HA GLY 12 5.773 13.889 -15.161 73 HA3 GLY 12 2HA GLY 12 4.226 14.104 -15.638 74 H LEU 13 H LEU 13 4.536 15.871 -13.830 75 HA LEU 13 HA LEU 13 4.353 14.653 -11.283 76 HB2 LEU 13 1HB LEU 13 4.500 17.472 -11.937 77 HB3 LEU 13 2HB LEU 13 4.592 16.906 -10.407 78 HG LEU 13 HG LEU 13 6.638 16.770 -12.400 79 HD11 LEU 13 1HD1 LEU 13 7.851 18.084 -10.735 80 HD12 LEU 13 2HD1 LEU 13 6.572 18.007 -9.749 81 HD13 LEU 13 3HD1 LEU 13 6.480 18.846 -11.128 82 HD21 LEU 13 1HD2 LEU 13 8.011 15.607 -10.888 83 HD22 LEU 13 2HD2 LEU 13 6.721 14.718 -11.287 84 HD23 LEU 13 3HD2 LEU 13 6.773 15.470 -9.856 85 H TYR 14 H TYR 14 2.847 15.112 -9.635 86 HA TYR 14 HA TYR 14 0.328 16.255 -10.499 87 HB2 TYR 14 1HB TYR 14 0.640 13.725 -9.160 88 HB3 TYR 14 2HB TYR 14 -0.798 14.491 -9.270 89 HD1 TYR 14 HD1 TYR 14 1.670 12.713 -11.132 90 HD2 TYR 14 HD2 TYR 14 -2.068 14.496 -11.377 91 HE1 TYR 14 HE1 TYR 14 1.327 11.678 -13.289 92 HE2 TYR 14 HE2 TYR 14 -2.433 13.434 -13.524 93 HH TYR 14 HH TYR 14 -1.040 10.964 -14.679 94 HA PRO 15 HA PRO 15 1.014 18.388 -6.827 95 HB2 PRO 15 1HB PRO 15 -1.382 19.366 -6.119 96 HB3 PRO 15 2HB PRO 15 -0.683 19.923 -7.486 97 HG2 PRO 15 1HG PRO 15 -2.649 17.870 -7.242 98 HG3 PRO 15 2HG PRO 15 -2.647 19.136 -8.275 99 HD2 PRO 15 1HD PRO 15 -1.839 16.799 -9.081 100 HD3 PRO 15 2HD PRO 15 -1.128 18.150 -9.660 101 H ASN 16 H ASN 16 1.304 18.293 -4.663 102 HA ASN 16 HA ASN 16 -0.046 16.073 -3.451 103 HB2 ASN 16 1HB ASN 16 2.412 16.171 -3.388 104 HB3 ASN 16 2HB ASN 16 2.263 17.411 -2.335 105 HD21 ASN 16 1HD2 ASN 16 2.824 14.284 -0.476 106 HD22 ASN 16 2HD2 ASN 16 3.680 15.149 -1.709 107 HA PRO 17 HA PRO 17 -2.121 19.177 -1.187 108 HB2 PRO 17 1HB PRO 17 -4.012 17.795 0.092 109 HB3 PRO 17 2HB PRO 17 -4.160 17.962 -1.525 110 HG2 PRO 17 1HG PRO 17 -3.006 15.765 -0.104 111 HG3 PRO 17 2HG PRO 17 -4.148 15.703 -1.270 112 HD2 PRO 17 1HD PRO 17 -1.655 15.306 -1.884 113 HD3 PRO 17 2HD PRO 17 -2.634 16.085 -2.934 114 H ARG 18 H ARG 18 -0.531 16.561 0.160 115 HA ARG 18 HA ARG 18 -0.950 17.211 2.822 116 HB2 ARG 18 1HB ARG 18 1.192 15.629 1.672 117 HB3 ARG 18 2HB ARG 18 0.913 15.694 3.280 118 HG2 ARG 18 1HG ARG 18 -1.128 14.590 2.991 119 HG3 ARG 18 2HG ARG 18 -0.905 14.570 1.373 120 HD2 ARG 18 1HD ARG 18 0.987 13.174 1.613 121 HD3 ARG 18 2HD ARG 18 0.885 13.271 3.240 122 HE ARG 18 HE ARG 18 -0.686 11.616 1.532 123 HH11 ARG 18 1HH1 ARG 18 -1.965 10.082 2.470 124 HH12 ARG 18 2HH1 ARG 18 -2.244 10.082 4.179 125 HH21 ARG 18 1HH2 ARG 18 -0.311 12.861 4.809 126 HH22 ARG 18 2HH2 ARG 18 -1.325 11.629 5.483 127 H GLU 19 H GLU 19 1.873 17.683 0.809 128 HA GLU 19 HA GLU 19 2.619 19.849 2.549 129 HB2 GLU 19 1HB GLU 19 4.568 18.356 1.071 130 HB3 GLU 19 2HB GLU 19 4.874 19.494 2.201 131 HG2 GLU 19 1HG GLU 19 5.366 17.622 3.304 132 HG3 GLU 19 2HG GLU 19 3.826 17.885 3.781 133 H ARG 20 H ARG 20 3.132 21.839 1.485 134 HA ARG 20 HA ARG 20 2.513 21.964 -1.292 135 HB2 ARG 20 1HB ARG 20 3.548 24.089 0.368 136 HB3 ARG 20 2HB ARG 20 2.836 24.293 -1.088 137 HG2 ARG 20 1HG ARG 20 1.519 23.446 1.317 138 HG3 ARG 20 2HG ARG 20 1.318 24.885 0.572 139 HD2 ARG 20 1HD ARG 20 0.455 23.641 -1.355 140 HD3 ARG 20 2HD ARG 20 0.435 22.318 -0.398 141 HE ARG 20 HE ARG 20 -1.007 24.391 0.800 142 HH11 ARG 20 1HH1 ARG 20 -1.293 21.924 -1.698 143 HH12 ARG 20 2HH1 ARG 20 -3.022 21.895 -1.594 144 HH21 ARG 20 1HH2 ARG 20 -3.216 24.312 0.865 145 HH22 ARG 20 2HH2 ARG 20 -4.094 23.229 -0.163 146 H SER 21 H SER 21 5.097 21.497 0.649 147 HA SER 21 HA SER 21 7.115 22.395 -1.044 148 HB2 SER 21 1HB SER 21 7.434 20.535 1.203 149 HB3 SER 21 2HB SER 21 8.558 21.612 0.709 150 HG SER 21 HG SER 21 7.151 23.276 1.374 151 H SER 22 H SER 22 5.222 19.887 -1.504 152 HA SER 22 HA SER 22 7.273 18.332 -2.732 153 HB2 SER 22 1HB SER 22 6.464 16.293 -1.713 154 HB3 SER 22 2HB SER 22 6.659 17.364 -0.496 155 HG SER 22 HG SER 22 4.385 17.921 -1.072 156 H PHE 23 H PHE 23 6.421 16.492 -4.091 157 HA PHE 23 HA PHE 23 3.827 17.026 -5.150 158 HB2 PHE 23 1HB PHE 23 4.717 16.857 -7.442 159 HB3 PHE 23 2HB PHE 23 5.105 18.244 -6.671 160 HD1 PHE 23 HD1 PHE 23 7.277 18.965 -6.654 161 HD2 PHE 23 HD2 PHE 23 6.519 14.949 -7.351 162 HE1 PHE 23 HE1 PHE 23 9.623 18.613 -7.079 163 HE2 PHE 23 HE2 PHE 23 8.846 14.583 -7.839 164 HZ PHE 23 HZ PHE 23 10.415 16.415 -7.675 165 H TYR 24 H TYR 24 3.165 15.285 -6.738 166 HA TYR 24 HA TYR 24 4.264 12.720 -5.964 167 HB2 TYR 24 1HB TYR 24 1.768 13.341 -7.249 168 HB3 TYR 24 2HB TYR 24 2.312 11.813 -7.062 169 HD1 TYR 24 HD1 TYR 24 2.704 11.008 -4.630 170 HD2 TYR 24 HD2 TYR 24 0.347 14.274 -5.621 171 HE1 TYR 24 HE1 TYR 24 1.616 10.878 -2.479 172 HE2 TYR 24 HE2 TYR 24 -0.777 14.104 -3.490 173 HH TYR 24 HH TYR 24 -1.225 12.518 -1.697 174 H SER 25 H SER 25 4.960 11.338 -7.782 175 HA SER 25 HA SER 25 4.963 12.622 -10.351 176 HB2 SER 25 1HB SER 25 7.150 13.071 -9.446 177 HB3 SER 25 2HB SER 25 7.378 11.472 -9.204 178 HG SER 25 HG SER 25 8.385 11.870 -11.044 179 H CYS 26 H CYS 26 4.671 11.263 -12.060 180 HA CYS 26 HA CYS 26 4.555 8.425 -11.462 181 HB2 CYS 26 1HB CYS 26 3.097 10.019 -13.241 182 HB3 CYS 26 2HB CYS 26 3.368 8.458 -13.636 183 H ALA 27 H ALA 27 6.163 7.203 -12.391 184 HA ALA 27 HA ALA 27 7.423 8.155 -14.794 185 HB1 ALA 27 1HB ALA 27 8.875 9.005 -13.096 186 HB2 ALA 27 2HB ALA 27 9.641 7.823 -13.891 187 HB3 ALA 27 3HB ALA 27 8.998 7.534 -12.435 188 H ALA 28 H ALA 28 7.189 6.514 -16.202 189 HA ALA 28 HA ALA 28 6.811 4.462 -16.934 190 HB1 ALA 28 1HB ALA 28 9.140 4.061 -16.405 191 HB2 ALA 28 2HB ALA 28 8.310 2.683 -16.238 192 HB3 ALA 28 3HB ALA 28 8.726 3.539 -14.932 193 H GLY 29 H GLY 29 4.952 5.461 -15.093 194 HA2 GLY 29 1HA GLY 29 3.075 4.647 -14.141 195 HA3 GLY 29 2HA GLY 29 3.553 3.117 -14.457 196 H ARG 30 H ARG 30 6.030 4.341 -12.802 197 HA ARG 30 HA ARG 30 5.161 3.142 -10.368 198 HB2 ARG 30 1HB ARG 30 7.720 4.359 -10.906 199 HB3 ARG 30 2HB ARG 30 7.387 3.402 -9.625 200 HG2 ARG 30 1HG ARG 30 7.115 1.566 -11.097 201 HG3 ARG 30 2HG ARG 30 7.520 2.532 -12.350 202 HD2 ARG 30 1HD ARG 30 9.622 2.961 -11.175 203 HD3 ARG 30 2HD ARG 30 9.218 1.732 -10.178 204 HE ARG 30 HE ARG 30 9.063 0.779 -12.764 205 HH11 ARG 30 1HH1 ARG 30 10.664 -0.450 -13.674 206 HH12 ARG 30 2HH1 ARG 30 12.259 -0.462 -12.999 207 HH21 ARG 30 1HH2 ARG 30 11.545 1.765 -10.469 208 HH22 ARG 30 2HH2 ARG 30 12.751 0.770 -11.215 209 H LEU 31 H LEU 31 5.079 4.208 -8.325 210 HA LEU 31 HA LEU 31 4.480 6.988 -8.587 211 HB2 LEU 31 1HB LEU 31 3.186 5.193 -7.297 212 HB3 LEU 31 2HB LEU 31 4.216 5.603 -6.098 213 HG LEU 31 HG LEU 31 2.162 7.243 -7.221 214 HD11 LEU 31 1HD1 LEU 31 1.338 7.193 -4.901 215 HD12 LEU 31 2HD1 LEU 31 2.606 6.280 -4.485 216 HD13 LEU 31 3HD1 LEU 31 1.469 5.684 -5.468 217 HD21 LEU 31 1HD2 LEU 31 2.752 9.025 -5.790 218 HD22 LEU 31 2HD2 LEU 31 3.926 8.728 -6.863 219 HD23 LEU 31 3HD2 LEU 31 4.081 8.224 -5.334 220 H PHE 32 H PHE 32 5.945 8.568 -8.120 221 HA PHE 32 HA PHE 32 7.905 7.949 -6.076 222 HB2 PHE 32 1HB PHE 32 8.203 9.663 -8.357 223 HB3 PHE 32 2HB PHE 32 9.232 9.747 -7.092 224 HD1 PHE 32 HD1 PHE 32 8.059 7.527 -9.670 225 HD2 PHE 32 HD2 PHE 32 11.077 8.269 -6.912 226 HE1 PHE 32 HE1 PHE 32 9.398 5.794 -10.683 227 HE2 PHE 32 HE2 PHE 32 12.417 6.517 -7.899 228 HZ PHE 32 HZ PHE 32 11.581 5.287 -9.795 229 H GLN 33 H GLN 33 7.901 9.265 -4.247 230 HA GLN 33 HA GLN 33 6.262 11.677 -4.355 231 HB2 GLN 33 1HB GLN 33 6.785 10.065 -2.038 232 HB3 GLN 33 2HB GLN 33 5.882 11.426 -2.050 233 HG2 GLN 33 1HG GLN 33 4.270 10.339 -3.429 234 HG3 GLN 33 2HG GLN 33 5.170 8.977 -3.403 235 HE21 GLN 33 1HE2 GLN 33 3.882 7.739 -0.466 236 HE22 GLN 33 2HE2 GLN 33 4.911 7.484 -1.835 237 H GLN 34 H GLN 34 7.559 13.540 -4.371 238 HA GLN 34 HA GLN 34 10.016 13.388 -2.922 239 HB2 GLN 34 1HB GLN 34 9.938 14.207 -5.711 240 HB3 GLN 34 2HB GLN 34 11.276 14.334 -4.783 241 HG2 GLN 34 1HG GLN 34 11.377 11.965 -4.635 242 HG3 GLN 34 2HG GLN 34 10.069 11.860 -5.606 243 HE21 GLN 34 1HE2 GLN 34 11.885 11.811 -8.506 244 HE22 GLN 34 2HE2 GLN 34 10.427 11.402 -7.666 245 H SER 35 H SER 35 11.069 15.451 -2.462 246 HA SER 35 HA SER 35 9.164 17.579 -2.333 247 HB2 SER 35 1HB SER 35 10.857 18.599 -0.848 248 HB3 SER 35 2HB SER 35 10.344 17.145 -0.309 249 HG SER 35 HG SER 35 12.510 17.115 -0.191 250 H CYS 36 H CYS 36 9.801 19.838 -2.872 251 HA CYS 36 HA CYS 36 11.673 19.897 -5.092 252 HB2 CYS 36 1HB CYS 36 9.448 20.428 -5.637 253 HB3 CYS 36 2HB CYS 36 9.506 21.671 -4.579 254 HA PRO 37 HA PRO 37 13.618 22.287 -2.087 255 HB2 PRO 37 1HB PRO 37 16.090 22.696 -3.097 256 HB3 PRO 37 2HB PRO 37 15.676 21.182 -2.644 257 HG2 PRO 37 1HG PRO 37 15.579 22.305 -5.277 258 HG3 PRO 37 2HG PRO 37 16.192 20.858 -4.834 259 HD2 PRO 37 1HD PRO 37 13.774 21.045 -5.828 260 HD3 PRO 37 2HD PRO 37 14.139 19.891 -4.731 261 H THR 38 H THR 38 13.864 23.738 -5.219 262 HA THR 38 HA THR 38 14.239 26.227 -3.877 263 HB THR 38 HB THR 38 14.694 25.767 -6.673 264 HG1 THR 38 HG1 THR 38 15.930 24.368 -5.346 265 HG21 THR 38 1HG2 THR 38 16.158 27.674 -6.550 266 HG22 THR 38 2HG2 THR 38 15.814 27.846 -4.979 267 HG23 THR 38 3HG2 THR 38 14.670 28.111 -6.091 268 H GLY 39 H GLY 39 12.592 27.621 -3.529 269 HA2 GLY 39 1HA GLY 39 10.961 29.027 -4.258 270 HA3 GLY 39 2HA GLY 39 11.233 28.556 -5.798 271 H LEU 40 H LEU 40 10.408 26.326 -3.375 272 HA LEU 40 HA LEU 40 8.952 24.951 -5.077 273 HB2 LEU 40 1HB LEU 40 7.976 24.100 -2.682 274 HB3 LEU 40 2HB LEU 40 9.473 23.681 -3.181 275 HG LEU 40 HG LEU 40 10.365 25.494 -1.941 276 HD11 LEU 40 1HD1 LEU 40 9.052 26.620 -0.233 277 HD12 LEU 40 2HD1 LEU 40 7.721 25.884 -0.783 278 HD13 LEU 40 3HD1 LEU 40 8.485 26.969 -1.707 279 HD21 LEU 40 1HD2 LEU 40 10.114 24.506 0.264 280 HD22 LEU 40 2HD2 LEU 40 10.354 23.364 -0.855 281 HD23 LEU 40 3HD2 LEU 40 8.866 23.638 -0.285 282 H VAL 41 H VAL 41 7.365 25.460 -6.305 283 HA VAL 41 HA VAL 41 4.835 25.091 -5.039 284 HB VAL 41 HB VAL 41 3.676 26.657 -6.550 285 HG11 VAL 41 1HG1 VAL 41 4.066 28.593 -5.209 286 HG12 VAL 41 2HG1 VAL 41 5.399 27.911 -4.599 287 HG13 VAL 41 3HG1 VAL 41 3.946 27.282 -4.270 288 HG21 VAL 41 1HG2 VAL 41 4.916 28.425 -7.542 289 HG22 VAL 41 2HG2 VAL 41 5.377 27.004 -8.161 290 HG23 VAL 41 3HG2 VAL 41 6.298 27.741 -7.055 291 H PHE 42 H PHE 42 3.248 24.175 -6.798 292 HA PHE 42 HA PHE 42 4.789 22.994 -8.926 293 HB2 PHE 42 1HB PHE 42 3.925 21.262 -7.644 294 HB3 PHE 42 2HB PHE 42 2.458 21.974 -7.558 295 HD1 PHE 42 HD1 PHE 42 4.663 20.702 -10.172 296 HD2 PHE 42 HD2 PHE 42 0.758 21.018 -8.793 297 HE1 PHE 42 HE1 PHE 42 3.890 19.470 -12.081 298 HE2 PHE 42 HE2 PHE 42 -0.013 19.716 -10.664 299 HZ PHE 42 HZ PHE 42 1.556 18.942 -12.317 300 H SER 43 H SER 43 4.355 23.418 -11.027 301 HA SER 43 HA SER 43 1.935 24.883 -11.553 302 HB2 SER 43 1HB SER 43 3.840 26.090 -12.267 303 HB3 SER 43 2HB SER 43 4.386 24.802 -13.109 304 HG SER 43 HG SER 43 3.426 25.639 -14.715 305 H ASN 44 H ASN 44 0.270 23.696 -12.318 306 HA ASN 44 HA ASN 44 0.650 21.174 -13.311 307 HB2 ASN 44 1HB ASN 44 -1.561 22.850 -12.937 308 HB3 ASN 44 2HB ASN 44 -1.768 21.942 -14.278 309 HD21 ASN 44 1HD2 ASN 44 -2.804 20.411 -10.902 310 HD22 ASN 44 2HD2 ASN 44 -2.698 22.092 -11.303 311 H SER 45 H SER 45 0.413 24.170 -15.007 312 HA SER 45 HA SER 45 0.065 23.062 -17.533 313 HB2 SER 45 1HB SER 45 0.831 25.349 -18.269 314 HB3 SER 45 2HB SER 45 -0.474 25.346 -17.288 315 HG SER 45 HG SER 45 1.541 26.695 -16.859 316 H CYS 46 H CYS 46 2.860 23.826 -15.685 317 HA CYS 46 HA CYS 46 4.653 23.287 -17.799 318 HB2 CYS 46 1HB CYS 46 5.189 24.775 -16.042 319 HB3 CYS 46 2HB CYS 46 5.140 23.531 -14.985 320 H LYS 47 H LYS 47 2.977 21.556 -15.509 321 HA LYS 47 HA LYS 47 3.067 19.431 -14.713 322 HB2 LYS 47 1HB LYS 47 3.066 19.002 -17.153 323 HB3 LYS 47 2HB LYS 47 4.636 18.598 -16.953 324 HG2 LYS 47 1HG LYS 47 3.393 16.651 -17.017 325 HG3 LYS 47 2HG LYS 47 3.954 16.837 -15.494 326 HD2 LYS 47 1HD LYS 47 1.864 17.561 -14.756 327 HD3 LYS 47 2HD LYS 47 1.288 17.577 -16.284 328 HE2 LYS 47 1HE LYS 47 1.332 15.260 -16.408 329 HE3 LYS 47 2HE LYS 47 2.190 15.147 -15.023 330 HZ1 LYS 47 1HZ LYS 47 -0.079 14.619 -14.623 331 HZ2 LYS 47 2HZ LYS 47 -0.526 16.069 -15.182 332 HZ3 LYS 47 3HZ LYS 47 0.324 15.957 -13.810 333 H CYS 48 H CYS 48 5.040 21.415 -14.020 334 HA CYS 48 HA CYS 48 7.109 19.725 -13.021 335 HB2 CYS 48 1HB CYS 48 8.818 20.873 -13.917 336 HB3 CYS 48 2HB CYS 48 7.736 20.798 -15.138 337 H CYS 49 H CYS 49 8.572 20.834 -11.374 338 HA CYS 49 HA CYS 49 7.053 22.519 -9.672 339 HB2 CYS 49 1HB CYS 49 8.542 20.948 -8.786 340 HB3 CYS 49 2HB CYS 49 9.790 21.728 -9.494 341 H THR 50 H THR 50 7.265 24.782 -9.443 342 HA THR 50 HA THR 50 9.227 26.027 -11.131 343 HB THR 50 HB THR 50 7.519 27.802 -11.640 344 HG1 THR 50 HG1 THR 50 5.326 26.834 -11.367 345 HG21 THR 50 1HG2 THR 50 6.383 26.544 -13.316 346 HG22 THR 50 2HG2 THR 50 6.820 25.160 -12.602 347 HG23 THR 50 3HG2 THR 50 7.937 26.098 -13.301 348 H TRP 51 H TRP 51 9.574 28.424 -10.543 349 HA TRP 51 HA TRP 51 9.823 28.629 -7.767 350 HB2 TRP 51 1HB TRP 51 10.229 30.618 -9.820 351 HB3 TRP 51 2HB TRP 51 10.549 30.920 -8.248 352 HD1 TRP 51 HD1 TRP 51 11.851 27.751 -8.340 353 HE1 TRP 51 HE1 TRP 51 14.280 27.538 -8.912 354 HE3 TRP 51 HE3 TRP 51 12.405 32.289 -10.354 355 HZ2 TRP 51 HZ2 TRP 51 16.187 29.245 -10.106 356 HZ3 TRP 51 HZ3 TRP 51 14.586 32.954 -11.167 357 HH2 TRP 51 HH2 TRP 51 16.455 31.430 -11.043 358 H ASN 52 H ASN 52 8.735 30.068 -6.301 359 HA ASN 52 HA ASN 52 6.046 30.408 -6.943 360 HB2 ASN 52 1HB ASN 52 6.870 29.869 -4.692 361 HB3 ASN 52 2HB ASN 52 7.394 31.411 -4.567 362 HD21 ASN 52 1HD2 ASN 52 4.366 31.622 -2.739 363 HD22 ASN 52 2HD2 ASN 52 6.041 31.217 -2.565 364 H GLY 53 H GLY 53 5.729 31.852 -8.607 365 HA2 GLY 53 1HA GLY 53 5.024 33.947 -9.122 366 HA3 GLY 53 2HA GLY 53 5.580 34.520 -7.697 367 H LEU 54 H LEU 54 7.963 32.911 -9.375 368 HA LEU 54 HA LEU 54 8.899 35.345 -10.611 369 HB2 LEU 54 1HB LEU 54 10.041 34.980 -8.524 370 HB3 LEU 54 2HB LEU 54 10.625 33.582 -9.134 371 HG LEU 54 HG LEU 54 11.898 34.782 -10.727 372 HD11 LEU 54 1HD1 LEU 54 12.039 37.169 -10.730 373 HD12 LEU 54 2HD1 LEU 54 10.884 37.253 -9.601 374 HD13 LEU 54 3HD1 LEU 54 10.528 36.714 -11.083 375 HD21 LEU 54 1HD2 LEU 54 13.409 35.801 -9.156 376 HD22 LEU 54 2HD2 LEU 54 12.862 34.397 -8.569 377 HD23 LEU 54 3HD2 LEU 54 12.242 35.793 -8.037 378 H VAL 55 H VAL 55 9.766 35.175 -12.654 379 HA VAL 55 HA VAL 55 10.138 32.467 -13.630 380 HB VAL 55 HB VAL 55 9.145 34.677 -15.231 381 HG11 VAL 55 1HG1 VAL 55 8.747 33.045 -16.933 382 HG12 VAL 55 2HG1 VAL 55 9.392 31.899 -15.992 383 HG13 VAL 55 3HG1 VAL 55 10.320 33.093 -16.565 384 HG21 VAL 55 1HG2 VAL 55 6.999 33.546 -15.202 385 HG22 VAL 55 2HG2 VAL 55 7.426 33.936 -13.692 386 HG23 VAL 55 3HG2 VAL 55 7.603 32.416 -14.216 387 HA PRO 56 HA PRO 56 14.020 34.287 -14.116 388 HB2 PRO 56 1HB PRO 56 15.546 32.231 -14.982 389 HB3 PRO 56 2HB PRO 56 14.967 32.178 -13.456 390 HG2 PRO 56 1HG PRO 56 13.850 30.978 -15.786 391 HG3 PRO 56 2HG PRO 56 14.126 30.279 -14.336 392 HD2 PRO 56 1HD PRO 56 11.748 31.164 -14.923 393 HD3 PRO 56 2HD PRO 56 12.296 31.257 -13.387 394 H ARG 57 H ARG 57 12.638 32.991 -16.897 395 HA ARG 57 HA ARG 57 13.844 34.943 -18.533 396 HB2 ARG 57 1HB ARG 57 14.995 33.509 -20.028 397 HB3 ARG 57 2HB ARG 57 15.657 33.402 -18.539 398 HG2 ARG 57 1HG ARG 57 14.652 31.350 -18.169 399 HG3 ARG 57 2HG ARG 57 13.765 31.485 -19.534 400 HD2 ARG 57 1HD ARG 57 15.818 31.410 -20.793 401 HD3 ARG 57 2HD ARG 57 16.604 31.084 -19.399 402 HE ARG 57 HE ARG 57 15.875 28.923 -19.424 403 HH11 ARG 57 1HH1 ARG 57 14.077 30.795 -21.818 404 HH12 ARG 57 2HH1 ARG 57 13.344 29.377 -22.491 405 HH21 ARG 57 1HH2 ARG 57 14.892 27.175 -20.339 406 HH22 ARG 57 2HH2 ARG 57 13.797 27.366 -21.668 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 7.551 -6.972 -5.670 2 H2 GLY 1 2H GLY 1 7.766 -5.517 -4.999 3 H3 GLY 1 3H GLY 1 8.551 -5.904 -6.358 4 HA2 GLY 1 1HA GLY 1 6.500 -5.975 -7.531 5 HA3 GLY 1 2HA GLY 1 5.707 -5.585 -6.158 6 H SER 2 H SER 2 4.923 -3.862 -7.815 7 HA SER 2 HA SER 2 6.582 -1.529 -7.382 8 HB2 SER 2 1HB SER 2 5.375 -2.156 -9.955 9 HB3 SER 2 2HB SER 2 6.206 -0.785 -9.641 10 HG SER 2 HG SER 2 7.154 -3.336 -9.894 11 HA PRO 3 HA PRO 3 2.679 -0.003 -6.252 12 HB2 PRO 3 1HB PRO 3 2.842 2.647 -6.513 13 HB3 PRO 3 2HB PRO 3 3.704 1.918 -5.332 14 HG2 PRO 3 1HG PRO 3 4.608 2.698 -7.925 15 HG3 PRO 3 2HG PRO 3 5.334 2.976 -6.489 16 HD2 PRO 3 1HD PRO 3 6.118 0.997 -7.972 17 HD3 PRO 3 2HD PRO 3 6.124 0.845 -6.346 18 H THR 4 H THR 4 0.686 0.057 -7.020 19 HA THR 4 HA THR 4 0.505 0.148 -9.827 20 HB THR 4 HB THR 4 -1.910 -0.396 -9.355 21 HG1 THR 4 HG1 THR 4 -2.603 -0.057 -7.447 22 HG21 THR 4 1HG2 THR 4 -1.449 -2.609 -8.516 23 HG22 THR 4 2HG2 THR 4 0.020 -2.137 -8.031 24 HG23 THR 4 3HG2 THR 4 -0.318 -2.233 -9.609 25 H PHE 5 H PHE 5 0.540 2.472 -7.664 26 HA PHE 5 HA PHE 5 -1.587 4.095 -8.325 27 HB2 PHE 5 1HB PHE 5 -0.209 4.347 -6.355 28 HB3 PHE 5 2HB PHE 5 1.033 4.832 -7.298 29 HD1 PHE 5 HD1 PHE 5 1.288 7.093 -7.942 30 HD2 PHE 5 HD2 PHE 5 -2.207 5.863 -6.061 31 HE1 PHE 5 HE1 PHE 5 0.721 9.394 -7.527 32 HE2 PHE 5 HE2 PHE 5 -2.827 8.173 -5.706 33 HZ PHE 5 HZ PHE 5 -1.342 9.942 -6.418 34 H CYS 6 H CYS 6 1.592 3.980 -9.692 35 HA CYS 6 HA CYS 6 0.930 6.072 -11.556 36 HB2 CYS 6 1HB CYS 6 2.951 6.321 -10.561 37 HB3 CYS 6 2HB CYS 6 3.343 4.758 -10.829 38 H GLN 7 H GLN 7 1.054 2.713 -11.436 39 HA GLN 7 HA GLN 7 1.506 2.220 -14.134 40 HB2 GLN 7 1HB GLN 7 0.273 0.728 -12.044 41 HB3 GLN 7 2HB GLN 7 0.403 0.117 -13.553 42 HG2 GLN 7 1HG GLN 7 2.775 0.258 -13.405 43 HG3 GLN 7 2HG GLN 7 2.643 0.866 -11.895 44 HE21 GLN 7 1HE2 GLN 7 2.715 -2.182 -10.347 45 HE22 GLN 7 2HE2 GLN 7 2.979 -0.472 -10.264 46 H GLY 8 H GLY 8 0.226 2.334 -15.917 47 HA2 GLY 8 1HA GLY 8 -1.753 2.497 -17.033 48 HA3 GLY 8 2HA GLY 8 -2.588 2.424 -15.631 49 H LYS 9 H LYS 9 -0.210 4.752 -15.552 50 HA LYS 9 HA LYS 9 -2.093 6.862 -16.218 51 HB2 LYS 9 1HB LYS 9 -0.356 6.681 -13.975 52 HB3 LYS 9 2HB LYS 9 -0.666 8.165 -14.584 53 HG2 LYS 9 1HG LYS 9 -2.244 7.961 -13.012 54 HG3 LYS 9 2HG LYS 9 -3.048 7.515 -14.362 55 HD2 LYS 9 1HD LYS 9 -2.873 5.288 -13.836 56 HD3 LYS 9 2HD LYS 9 -1.782 5.590 -12.659 57 HE2 LYS 9 1HE LYS 9 -3.491 6.640 -11.383 58 HE3 LYS 9 2HE LYS 9 -4.571 6.248 -12.543 59 HZ1 LYS 9 1HZ LYS 9 -4.579 4.586 -10.824 60 HZ2 LYS 9 2HZ LYS 9 -3.002 4.324 -11.066 61 HZ3 LYS 9 3HZ LYS 9 -4.072 3.936 -12.215 62 H ALA 10 H ALA 10 -1.058 8.885 -17.011 63 HA ALA 10 HA ALA 10 1.131 8.329 -18.716 64 HB1 ALA 10 1HB ALA 10 -0.499 9.904 -19.452 65 HB2 ALA 10 2HB ALA 10 0.927 10.659 -19.347 66 HB3 ALA 10 3HB ALA 10 -0.183 10.862 -18.189 67 H ASP 11 H ASP 11 3.320 9.045 -18.438 68 HA ASP 11 HA ASP 11 4.144 9.440 -15.810 69 HB2 ASP 11 1HB ASP 11 5.535 9.634 -18.303 70 HB3 ASP 11 2HB ASP 11 6.289 10.097 -16.931 71 H GLY 12 H GLY 12 4.949 11.366 -14.756 72 HA2 GLY 12 1HA GLY 12 5.297 13.811 -15.482 73 HA3 GLY 12 2HA GLY 12 3.692 13.741 -15.775 74 H LEU 13 H LEU 13 4.043 15.648 -14.103 75 HA LEU 13 HA LEU 13 4.040 14.553 -11.472 76 HB2 LEU 13 1HB LEU 13 4.077 17.330 -12.241 77 HB3 LEU 13 2HB LEU 13 4.138 16.830 -10.688 78 HG LEU 13 HG LEU 13 6.229 16.576 -12.634 79 HD11 LEU 13 1HD1 LEU 13 7.463 17.988 -11.083 80 HD12 LEU 13 2HD1 LEU 13 6.176 18.034 -10.106 81 HD13 LEU 13 3HD1 LEU 13 6.115 18.744 -11.557 82 HD21 LEU 13 1HD2 LEU 13 7.564 15.506 -10.973 83 HD22 LEU 13 2HD2 LEU 13 6.270 14.603 -11.327 84 HD23 LEU 13 3HD2 LEU 13 6.297 15.480 -9.968 85 H TYR 14 H TYR 14 2.360 14.587 -10.021 86 HA TYR 14 HA TYR 14 -0.173 15.626 -10.974 87 HB2 TYR 14 1HB TYR 14 0.296 13.126 -9.607 88 HB3 TYR 14 2HB TYR 14 -1.202 13.750 -9.790 89 HD1 TYR 14 HD1 TYR 14 1.515 12.229 -11.517 90 HD2 TYR 14 HD2 TYR 14 -2.394 13.562 -11.910 91 HE1 TYR 14 HE1 TYR 14 1.354 11.108 -13.650 92 HE2 TYR 14 HE2 TYR 14 -2.574 12.410 -14.033 93 HH TYR 14 HH TYR 14 -0.829 10.074 -15.061 94 HA PRO 15 HA PRO 15 -0.129 17.713 -7.190 95 HB2 PRO 15 1HB PRO 15 -2.696 18.098 -6.546 96 HB3 PRO 15 2HB PRO 15 -2.075 18.895 -7.829 97 HG2 PRO 15 1HG PRO 15 -3.544 16.448 -7.845 98 HG3 PRO 15 2HG PRO 15 -3.805 17.774 -8.762 99 HD2 PRO 15 1HD PRO 15 -2.460 15.800 -9.762 100 HD3 PRO 15 2HD PRO 15 -2.005 17.328 -10.118 101 H ASN 16 H ASN 16 -0.034 17.622 -5.051 102 HA ASN 16 HA ASN 16 -0.184 14.975 -4.051 103 HB2 ASN 16 1HB ASN 16 1.184 15.797 -2.311 104 HB3 ASN 16 2HB ASN 16 1.728 16.476 -3.693 105 HD21 ASN 16 1HD2 ASN 16 0.810 18.750 -0.737 106 HD22 ASN 16 2HD2 ASN 16 1.288 17.085 -0.688 107 HA PRO 17 HA PRO 17 -3.692 15.545 -1.802 108 HB2 PRO 17 1HB PRO 17 -3.652 13.688 0.156 109 HB3 PRO 17 2HB PRO 17 -3.488 13.146 -1.376 110 HG2 PRO 17 1HG PRO 17 -1.398 13.775 0.476 111 HG3 PRO 17 2HG PRO 17 -1.584 12.393 -0.375 112 HD2 PRO 17 1HD PRO 17 -0.007 14.278 -1.256 113 HD3 PRO 17 2HD PRO 17 -0.841 13.346 -2.306 114 H ARG 18 H ARG 18 -1.079 16.374 0.147 115 HA ARG 18 HA ARG 18 -2.851 17.704 1.916 116 HB2 ARG 18 1HB ARG 18 -2.489 15.460 2.867 117 HB3 ARG 18 2HB ARG 18 -0.880 15.740 2.863 118 HG2 ARG 18 1HG ARG 18 -1.357 17.503 4.523 119 HG3 ARG 18 2HG ARG 18 -2.821 16.797 4.679 120 HD2 ARG 18 1HD ARG 18 -0.316 15.429 5.138 121 HD3 ARG 18 2HD ARG 18 -1.287 15.976 6.331 122 HE ARG 18 HE ARG 18 -2.873 14.306 5.866 123 HH11 ARG 18 1HH1 ARG 18 -3.193 12.182 5.414 124 HH12 ARG 18 2HH1 ARG 18 -2.038 11.286 4.484 125 HH21 ARG 18 1HH2 ARG 18 0.142 13.906 4.054 126 HH22 ARG 18 2HH2 ARG 18 -0.193 12.238 3.731 127 H GLU 19 H GLU 19 0.490 17.153 1.334 128 HA GLU 19 HA GLU 19 1.338 19.147 3.084 129 HB2 GLU 19 1HB GLU 19 2.836 17.879 0.966 130 HB3 GLU 19 2HB GLU 19 3.512 18.729 2.186 131 HG2 GLU 19 1HG GLU 19 3.831 16.520 2.743 132 HG3 GLU 19 2HG GLU 19 2.619 17.033 3.711 133 H ARG 20 H ARG 20 2.917 20.996 2.324 134 HA ARG 20 HA ARG 20 1.379 22.463 0.480 135 HB2 ARG 20 1HB ARG 20 2.227 23.627 2.369 136 HB3 ARG 20 2HB ARG 20 3.758 23.225 1.968 137 HG2 ARG 20 1HG ARG 20 3.283 25.531 1.528 138 HG3 ARG 20 2HG ARG 20 3.738 24.731 0.179 139 HD2 ARG 20 1HD ARG 20 1.915 26.108 -0.352 140 HD3 ARG 20 2HD ARG 20 1.427 24.552 -0.449 141 HE ARG 20 HE ARG 20 0.887 25.696 2.078 142 HH11 ARG 20 1HH1 ARG 20 -0.424 25.257 -1.165 143 HH12 ARG 20 2HH1 ARG 20 -2.049 25.539 -0.637 144 HH21 ARG 20 1HH2 ARG 20 -1.216 26.043 2.670 145 HH22 ARG 20 2HH2 ARG 20 -2.489 25.976 1.496 146 H SER 21 H SER 21 4.661 21.331 0.445 147 HA SER 21 HA SER 21 4.834 22.275 -2.245 148 HB2 SER 21 1HB SER 21 7.126 21.875 -0.440 149 HB3 SER 21 2HB SER 21 7.194 22.711 -1.841 150 HG SER 21 HG SER 21 6.269 24.392 -0.983 151 H SER 22 H SER 22 4.112 19.510 -1.352 152 HA SER 22 HA SER 22 6.204 18.112 -2.736 153 HB2 SER 22 1HB SER 22 5.384 16.086 -1.765 154 HB3 SER 22 2HB SER 22 5.562 17.191 -0.575 155 HG SER 22 HG SER 22 3.168 16.852 -1.854 156 H PHE 23 H PHE 23 5.590 16.285 -4.225 157 HA PHE 23 HA PHE 23 3.034 16.664 -5.459 158 HB2 PHE 23 1HB PHE 23 4.103 16.527 -7.676 159 HB3 PHE 23 2HB PHE 23 4.333 17.942 -6.894 160 HD1 PHE 23 HD1 PHE 23 6.448 18.822 -6.745 161 HD2 PHE 23 HD2 PHE 23 6.030 14.742 -7.400 162 HE1 PHE 23 HE1 PHE 23 8.836 18.623 -7.001 163 HE2 PHE 23 HE2 PHE 23 8.420 14.528 -7.645 164 HZ PHE 23 HZ PHE 23 9.829 16.473 -7.436 165 H TYR 24 H TYR 24 2.600 14.861 -7.107 166 HA TYR 24 HA TYR 24 3.820 12.390 -6.233 167 HB2 TYR 24 1HB TYR 24 1.457 12.899 -7.771 168 HB3 TYR 24 2HB TYR 24 2.132 11.411 -7.748 169 HD1 TYR 24 HD1 TYR 24 2.595 10.658 -5.118 170 HD2 TYR 24 HD2 TYR 24 -0.489 13.043 -6.539 171 HE1 TYR 24 HE1 TYR 24 1.225 10.009 -3.234 172 HE2 TYR 24 HE2 TYR 24 -1.851 12.418 -4.648 173 HH TYR 24 HH TYR 24 -2.127 10.798 -2.986 174 H SER 25 H SER 25 5.300 11.412 -7.726 175 HA SER 25 HA SER 25 5.399 12.591 -10.367 176 HB2 SER 25 1HB SER 25 7.394 13.155 -9.183 177 HB3 SER 25 2HB SER 25 7.678 11.573 -8.891 178 HG SER 25 HG SER 25 8.903 11.981 -10.576 179 H CYS 26 H CYS 26 4.755 11.245 -11.907 180 HA CYS 26 HA CYS 26 4.888 8.379 -11.436 181 HB2 CYS 26 1HB CYS 26 2.815 9.317 -11.888 182 HB3 CYS 26 2HB CYS 26 3.398 9.921 -13.289 183 H ALA 27 H ALA 27 6.572 7.316 -12.382 184 HA ALA 27 HA ALA 27 7.527 8.260 -14.897 185 HB1 ALA 27 1HB ALA 27 8.915 9.491 -13.337 186 HB2 ALA 27 2HB ALA 27 9.838 8.429 -14.133 187 HB3 ALA 27 3HB ALA 27 9.357 8.109 -12.623 188 H ALA 28 H ALA 28 7.644 6.544 -16.221 189 HA ALA 28 HA ALA 28 7.804 4.441 -16.848 190 HB1 ALA 28 1HB ALA 28 10.185 4.781 -16.398 191 HB2 ALA 28 2HB ALA 28 9.815 3.220 -16.192 192 HB3 ALA 28 3HB ALA 28 9.987 4.187 -14.907 193 H GLY 29 H GLY 29 5.787 4.832 -14.978 194 HA2 GLY 29 1HA GLY 29 4.293 3.423 -14.006 195 HA3 GLY 29 2HA GLY 29 5.283 2.151 -14.271 196 H ARG 30 H ARG 30 7.052 4.393 -12.708 197 HA ARG 30 HA ARG 30 6.631 3.105 -10.167 198 HB2 ARG 30 1HB ARG 30 8.883 4.787 -10.812 199 HB3 ARG 30 2HB ARG 30 8.790 3.727 -9.573 200 HG2 ARG 30 1HG ARG 30 9.048 3.003 -12.340 201 HG3 ARG 30 2HG ARG 30 10.245 2.920 -11.231 202 HD2 ARG 30 1HD ARG 30 9.024 1.222 -10.070 203 HD3 ARG 30 2HD ARG 30 7.870 1.282 -11.224 204 HE ARG 30 HE ARG 30 9.202 0.152 -12.716 205 HH11 ARG 30 1HH1 ARG 30 10.918 -1.136 -13.216 206 HH12 ARG 30 2HH1 ARG 30 12.257 -1.293 -12.128 207 HH21 ARG 30 1HH2 ARG 30 10.992 0.859 -9.758 208 HH22 ARG 30 2HH2 ARG 30 12.300 -0.185 -10.206 209 H LEU 31 H LEU 31 6.380 4.366 -8.230 210 HA LEU 31 HA LEU 31 5.577 7.068 -8.781 211 HB2 LEU 31 1HB LEU 31 3.867 5.827 -7.739 212 HB3 LEU 31 2HB LEU 31 4.886 5.363 -6.550 213 HG LEU 31 HG LEU 31 4.922 7.637 -5.744 214 HD11 LEU 31 1HD1 LEU 31 3.373 9.237 -6.583 215 HD12 LEU 31 2HD1 LEU 31 2.914 8.203 -7.738 216 HD13 LEU 31 3HD1 LEU 31 4.414 8.807 -7.744 217 HD21 LEU 31 1HD2 LEU 31 2.736 7.571 -4.766 218 HD22 LEU 31 2HD2 LEU 31 3.400 6.097 -4.741 219 HD23 LEU 31 3HD2 LEU 31 2.280 6.461 -5.849 220 H PHE 32 H PHE 32 6.772 8.750 -8.041 221 HA PHE 32 HA PHE 32 8.420 8.247 -5.710 222 HB2 PHE 32 1HB PHE 32 8.997 10.099 -7.821 223 HB3 PHE 32 2HB PHE 32 9.846 10.013 -6.429 224 HD1 PHE 32 HD1 PHE 32 8.957 8.051 -9.319 225 HD2 PHE 32 HD2 PHE 32 11.709 8.565 -6.251 226 HE1 PHE 32 HE1 PHE 32 10.389 6.416 -10.352 227 HE2 PHE 32 HE2 PHE 32 13.154 6.909 -7.259 228 HZ PHE 32 HZ PHE 32 12.500 5.844 -9.328 229 H GLN 33 H GLN 33 7.824 9.583 -3.916 230 HA GLN 33 HA GLN 33 6.036 11.808 -4.532 231 HB2 GLN 33 1HB GLN 33 6.195 10.336 -2.090 232 HB3 GLN 33 2HB GLN 33 5.276 11.668 -2.302 233 HG2 GLN 33 1HG GLN 33 3.642 10.391 -2.974 234 HG3 GLN 33 2HG GLN 33 4.547 9.946 -4.259 235 HE21 GLN 33 1HE2 GLN 33 3.641 7.290 -1.515 236 HE22 GLN 33 2HE2 GLN 33 2.903 8.849 -1.673 237 H GLN 34 H GLN 34 7.262 13.634 -4.672 238 HA GLN 34 HA GLN 34 9.395 13.967 -2.765 239 HB2 GLN 34 1HB GLN 34 9.700 14.221 -5.621 240 HB3 GLN 34 2HB GLN 34 10.793 14.842 -4.578 241 HG2 GLN 34 1HG GLN 34 11.127 12.583 -3.742 242 HG3 GLN 34 2HG GLN 34 10.224 12.058 -4.998 243 HE21 GLN 34 1HE2 GLN 34 12.840 11.920 -7.218 244 HE22 GLN 34 2HE2 GLN 34 11.229 11.436 -6.807 245 H SER 35 H SER 35 10.357 16.335 -3.134 246 HA SER 35 HA SER 35 8.082 18.056 -3.430 247 HB2 SER 35 1HB SER 35 8.937 19.344 -1.496 248 HB3 SER 35 2HB SER 35 8.593 17.809 -1.059 249 HG SER 35 HG SER 35 10.537 18.154 -0.249 250 H CYS 36 H CYS 36 8.537 20.379 -3.655 251 HA CYS 36 HA CYS 36 10.865 20.849 -5.298 252 HB2 CYS 36 1HB CYS 36 8.533 22.389 -4.802 253 HB3 CYS 36 2HB CYS 36 9.803 22.963 -5.654 254 HA PRO 37 HA PRO 37 11.980 22.504 -1.326 255 HB2 PRO 37 1HB PRO 37 14.528 21.780 -1.095 256 HB3 PRO 37 2HB PRO 37 13.396 20.604 -1.049 257 HG2 PRO 37 1HG PRO 37 15.005 21.401 -3.272 258 HG3 PRO 37 2HG PRO 37 14.637 19.882 -2.795 259 HD2 PRO 37 1HD PRO 37 13.333 21.135 -4.747 260 HD3 PRO 37 2HD PRO 37 12.682 19.898 -3.903 261 H THR 38 H THR 38 15.130 23.088 -2.530 262 HA THR 38 HA THR 38 14.866 25.679 -1.600 263 HB THR 38 HB THR 38 17.237 25.744 -2.716 264 HG1 THR 38 HG1 THR 38 17.090 23.035 -2.540 265 HG21 THR 38 1HG2 THR 38 18.175 24.560 -0.859 266 HG22 THR 38 2HG2 THR 38 16.733 23.910 -0.524 267 HG23 THR 38 3HG2 THR 38 16.973 25.496 -0.320 268 H GLY 39 H GLY 39 13.927 27.346 -2.550 269 HA2 GLY 39 1HA GLY 39 13.723 28.916 -4.157 270 HA3 GLY 39 2HA GLY 39 14.926 28.214 -5.009 271 H LEU 40 H LEU 40 12.389 26.121 -4.335 272 HA LEU 40 HA LEU 40 11.435 26.461 -7.024 273 HB2 LEU 40 1HB LEU 40 12.038 23.956 -5.689 274 HB3 LEU 40 2HB LEU 40 11.273 24.005 -7.131 275 HG LEU 40 HG LEU 40 13.941 25.010 -6.869 276 HD11 LEU 40 1HD1 LEU 40 14.753 22.847 -7.577 277 HD12 LEU 40 2HD1 LEU 40 13.249 22.258 -7.505 278 HD13 LEU 40 3HD1 LEU 40 14.006 22.712 -6.150 279 HD21 LEU 40 1HD2 LEU 40 14.059 24.608 -9.220 280 HD22 LEU 40 2HD2 LEU 40 12.832 25.607 -8.886 281 HD23 LEU 40 3HD2 LEU 40 12.542 24.049 -9.206 282 H VAL 41 H VAL 41 9.328 25.779 -7.586 283 HA VAL 41 HA VAL 41 7.583 25.183 -5.404 284 HB VAL 41 HB VAL 41 5.889 26.754 -6.274 285 HG11 VAL 41 1HG1 VAL 41 6.876 28.757 -5.368 286 HG12 VAL 41 2HG1 VAL 41 8.335 28.063 -5.416 287 HG13 VAL 41 3HG1 VAL 41 7.203 27.495 -4.411 288 HG21 VAL 41 1HG2 VAL 41 6.553 28.455 -7.849 289 HG22 VAL 41 2HG2 VAL 41 6.685 26.993 -8.528 290 HG23 VAL 41 3HG2 VAL 41 8.005 27.759 -7.996 291 H PHE 42 H PHE 42 5.452 24.195 -6.172 292 HA PHE 42 HA PHE 42 5.862 22.774 -8.630 293 HB2 PHE 42 1HB PHE 42 5.087 21.451 -6.858 294 HB3 PHE 42 2HB PHE 42 3.805 22.439 -6.635 295 HD1 PHE 42 HD1 PHE 42 5.156 20.696 -9.551 296 HD2 PHE 42 HD2 PHE 42 1.794 21.401 -7.203 297 HE1 PHE 42 HE1 PHE 42 3.826 19.379 -11.069 298 HE2 PHE 42 HE2 PHE 42 0.464 20.040 -8.690 299 HZ PHE 42 HZ PHE 42 1.479 19.029 -10.632 300 H SER 43 H SER 43 4.829 23.236 -10.541 301 HA SER 43 HA SER 43 2.870 25.355 -10.439 302 HB2 SER 43 1HB SER 43 4.805 25.982 -11.702 303 HB3 SER 43 2HB SER 43 4.617 24.674 -12.662 304 HG SER 43 HG SER 43 3.737 26.227 -13.805 305 H ASN 44 H ASN 44 0.891 24.451 -10.363 306 HA ASN 44 HA ASN 44 0.385 21.989 -11.414 307 HB2 ASN 44 1HB ASN 44 -1.504 24.082 -10.641 308 HB3 ASN 44 2HB ASN 44 -2.017 22.572 -10.995 309 HD21 ASN 44 1HD2 ASN 44 -1.753 21.488 -7.770 310 HD22 ASN 44 2HD2 ASN 44 -2.542 21.383 -9.308 311 H SER 45 H SER 45 0.409 24.924 -13.045 312 HA SER 45 HA SER 45 -1.472 24.282 -14.994 313 HB2 SER 45 1HB SER 45 -0.315 26.171 -16.220 314 HB3 SER 45 2HB SER 45 -0.979 26.562 -14.780 315 HG SER 45 HG SER 45 1.567 25.660 -14.711 316 H CYS 46 H CYS 46 2.025 24.216 -15.050 317 HA CYS 46 HA CYS 46 1.920 22.783 -17.526 318 HB2 CYS 46 1HB CYS 46 4.106 23.419 -17.883 319 HB3 CYS 46 2HB CYS 46 3.237 24.731 -17.444 320 H LYS 47 H LYS 47 2.095 22.034 -14.441 321 HA LYS 47 HA LYS 47 2.546 20.144 -13.346 322 HB2 LYS 47 1HB LYS 47 2.720 18.918 -15.930 323 HB3 LYS 47 2HB LYS 47 2.975 18.043 -14.575 324 HG2 LYS 47 1HG LYS 47 0.740 17.753 -15.376 325 HG3 LYS 47 2HG LYS 47 0.735 18.421 -13.886 326 HD2 LYS 47 1HD LYS 47 0.220 20.473 -14.704 327 HD3 LYS 47 2HD LYS 47 0.559 20.021 -16.236 328 HE2 LYS 47 1HE LYS 47 -1.383 18.741 -16.338 329 HE3 LYS 47 2HE LYS 47 -1.691 19.022 -14.759 330 HZ1 LYS 47 1HZ LYS 47 -2.974 20.516 -16.120 331 HZ2 LYS 47 2HZ LYS 47 -1.614 21.078 -16.790 332 HZ3 LYS 47 3HZ LYS 47 -1.919 21.356 -15.227 333 H CYS 48 H CYS 48 4.504 22.064 -13.751 334 HA CYS 48 HA CYS 48 6.907 20.541 -13.950 335 HB2 CYS 48 1HB CYS 48 6.816 23.398 -13.796 336 HB3 CYS 48 2HB CYS 48 8.018 22.496 -14.434 337 H CYS 49 H CYS 49 8.636 20.735 -12.371 338 HA CYS 49 HA CYS 49 7.978 22.157 -9.899 339 HB2 CYS 49 1HB CYS 49 8.815 20.016 -9.699 340 HB3 CYS 49 2HB CYS 49 10.174 20.494 -10.469 341 H THR 50 H THR 50 8.769 24.340 -9.935 342 HA THR 50 HA THR 50 10.852 24.942 -11.808 343 HB THR 50 HB THR 50 8.742 25.270 -13.039 344 HG1 THR 50 HG1 THR 50 9.886 26.586 -14.095 345 HG21 THR 50 1HG2 THR 50 7.316 27.094 -12.424 346 HG22 THR 50 2HG2 THR 50 8.239 27.405 -11.134 347 HG23 THR 50 3HG2 THR 50 7.371 26.043 -11.196 348 H TRP 51 H TRP 51 11.573 27.311 -11.678 349 HA TRP 51 HA TRP 51 12.211 27.795 -9.051 350 HB2 TRP 51 1HB TRP 51 12.432 29.575 -11.324 351 HB3 TRP 51 2HB TRP 51 13.137 29.892 -9.886 352 HD1 TRP 51 HD1 TRP 51 14.829 27.694 -9.104 353 HE1 TRP 51 HE1 TRP 51 16.609 26.518 -10.419 354 HE3 TRP 51 HE3 TRP 51 13.274 29.098 -13.645 355 HZ2 TRP 51 HZ2 TRP 51 17.205 26.278 -13.164 356 HZ3 TRP 51 HZ3 TRP 51 14.527 28.369 -15.590 357 HH2 TRP 51 HH2 TRP 51 16.474 26.962 -15.333 358 H ASN 52 H ASN 52 11.748 29.440 -7.575 359 HA ASN 52 HA ASN 52 9.051 29.880 -7.407 360 HB2 ASN 52 1HB ASN 52 9.558 30.893 -5.287 361 HB3 ASN 52 2HB ASN 52 10.674 29.720 -5.500 362 HD21 ASN 52 1HD2 ASN 52 11.909 33.327 -4.764 363 HD22 ASN 52 2HD2 ASN 52 10.353 32.665 -4.386 364 H GLY 53 H GLY 53 10.913 31.580 -9.371 365 HA2 GLY 53 1HA GLY 53 10.380 33.489 -10.474 366 HA3 GLY 53 2HA GLY 53 9.018 33.640 -9.586 367 H LEU 54 H LEU 54 12.247 33.523 -8.333 368 HA LEU 54 HA LEU 54 11.918 35.720 -6.729 369 HB2 LEU 54 1HB LEU 54 13.639 34.026 -6.457 370 HB3 LEU 54 2HB LEU 54 14.454 34.710 -7.696 371 HG LEU 54 HG LEU 54 13.923 36.448 -5.546 372 HD11 LEU 54 1HD1 LEU 54 15.672 35.533 -4.163 373 HD12 LEU 54 2HD1 LEU 54 15.836 34.295 -5.191 374 HD13 LEU 54 3HD1 LEU 54 14.477 34.456 -4.329 375 HD21 LEU 54 1HD2 LEU 54 16.144 37.211 -5.966 376 HD22 LEU 54 2HD2 LEU 54 15.289 37.200 -7.338 377 HD23 LEU 54 3HD2 LEU 54 16.357 36.022 -7.041 378 H VAL 55 H VAL 55 11.914 37.861 -6.998 379 HA VAL 55 HA VAL 55 13.226 38.939 -9.355 380 HB VAL 55 HB VAL 55 10.907 40.068 -8.038 381 HG11 VAL 55 1HG1 VAL 55 10.925 41.757 -9.746 382 HG12 VAL 55 2HG1 VAL 55 12.294 41.141 -10.347 383 HG13 VAL 55 3HG1 VAL 55 12.291 41.827 -8.883 384 HG21 VAL 55 1HG2 VAL 55 9.730 39.566 -10.091 385 HG22 VAL 55 2HG2 VAL 55 10.305 38.202 -9.441 386 HG23 VAL 55 3HG2 VAL 55 11.067 38.885 -10.693 387 HA PRO 56 HA PRO 56 15.424 40.420 -5.900 388 HB2 PRO 56 1HB PRO 56 17.658 41.420 -6.991 389 HB3 PRO 56 2HB PRO 56 17.433 39.804 -7.043 390 HG2 PRO 56 1HG PRO 56 16.852 41.713 -9.082 391 HG3 PRO 56 2HG PRO 56 17.652 40.298 -9.237 392 HD2 PRO 56 1HD PRO 56 15.109 40.459 -9.842 393 HD3 PRO 56 2HD PRO 56 15.728 39.076 -9.231 394 H ARG 57 H ARG 57 14.621 42.596 -8.339 395 HA ARG 57 HA ARG 57 14.020 44.672 -6.578 396 HB2 ARG 57 1HB ARG 57 15.618 46.290 -7.260 397 HB3 ARG 57 2HB ARG 57 16.342 45.058 -6.469 398 HG2 ARG 57 1HG ARG 57 17.064 44.155 -8.542 399 HG3 ARG 57 2HG ARG 57 16.346 45.393 -9.329 400 HD2 ARG 57 1HD ARG 57 18.514 45.709 -7.459 401 HD3 ARG 57 2HD ARG 57 18.680 45.791 -9.082 402 HE ARG 57 HE ARG 57 16.786 47.649 -8.465 403 HH11 ARG 57 1HH1 ARG 57 17.203 49.790 -8.176 404 HH12 ARG 57 2HH1 ARG 57 18.800 50.338 -7.793 405 HH21 ARG 57 1HH2 ARG 57 20.203 47.193 -7.760 406 HH22 ARG 57 2HH2 ARG 57 20.474 48.892 -7.562 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 2.476 6.570 -1.435 2 H2 GLY 1 2H GLY 1 2.283 5.013 -1.043 3 H3 GLY 1 3H GLY 1 1.180 6.103 -0.587 4 HA2 GLY 1 1HA GLY 1 0.592 6.465 -2.841 5 HA3 GLY 1 2HA GLY 1 1.707 5.363 -3.303 6 H SER 2 H SER 2 -0.284 4.440 -4.412 7 HA SER 2 HA SER 2 -1.368 2.407 -2.695 8 HB2 SER 2 1HB SER 2 -3.647 2.890 -3.323 9 HB3 SER 2 2HB SER 2 -3.015 4.193 -2.568 10 HG SER 2 HG SER 2 -3.437 3.842 -5.260 11 HA PRO 3 HA PRO 3 -1.103 0.250 -6.557 12 HB2 PRO 3 1HB PRO 3 -3.772 -0.827 -6.215 13 HB3 PRO 3 2HB PRO 3 -2.409 -1.686 -6.483 14 HG2 PRO 3 1HG PRO 3 -3.418 -1.751 -4.167 15 HG3 PRO 3 2HG PRO 3 -1.796 -1.602 -4.289 16 HD2 PRO 3 1HD PRO 3 -3.705 0.496 -3.823 17 HD3 PRO 3 2HD PRO 3 -2.311 0.230 -3.015 18 H THR 4 H THR 4 -1.720 0.386 -8.721 19 HA THR 4 HA THR 4 -2.499 1.435 -10.418 20 HB THR 4 HB THR 4 -5.103 2.142 -9.319 21 HG1 THR 4 HG1 THR 4 -4.765 0.300 -8.192 22 HG21 THR 4 1HG2 THR 4 -5.941 1.096 -11.311 23 HG22 THR 4 2HG2 THR 4 -4.454 0.586 -11.691 24 HG23 THR 4 3HG2 THR 4 -4.804 2.164 -11.735 25 H PHE 5 H PHE 5 -1.773 3.249 -7.957 26 HA PHE 5 HA PHE 5 -2.923 5.678 -8.491 27 HB2 PHE 5 1HB PHE 5 -1.671 5.072 -6.476 28 HB3 PHE 5 2HB PHE 5 -0.293 5.253 -7.334 29 HD1 PHE 5 HD1 PHE 5 0.621 7.450 -7.793 30 HD2 PHE 5 HD2 PHE 5 -2.985 7.016 -5.775 31 HE1 PHE 5 HE1 PHE 5 0.759 9.742 -7.082 32 HE2 PHE 5 HE2 PHE 5 -2.912 9.338 -5.127 33 HZ PHE 5 HZ PHE 5 -1.025 10.699 -5.764 34 H CYS 6 H CYS 6 -0.019 4.343 -9.805 35 HA CYS 6 HA CYS 6 0.199 6.665 -11.486 36 HB2 CYS 6 1HB CYS 6 2.052 5.283 -10.068 37 HB3 CYS 6 2HB CYS 6 2.443 5.134 -11.647 38 H GLN 7 H GLN 7 -0.946 3.678 -11.664 39 HA GLN 7 HA GLN 7 0.118 2.867 -14.134 40 HB2 GLN 7 1HB GLN 7 -2.015 1.949 -12.476 41 HB3 GLN 7 2HB GLN 7 -1.765 1.278 -13.943 42 HG2 GLN 7 1HG GLN 7 0.317 0.476 -13.294 43 HG3 GLN 7 2HG GLN 7 0.251 1.310 -11.891 44 HE21 GLN 7 1HE2 GLN 7 -1.764 -2.166 -12.240 45 HE22 GLN 7 2HE2 GLN 7 -1.308 -1.255 -13.641 46 H GLY 8 H GLY 8 -0.470 3.457 -16.157 47 HA2 GLY 8 1HA GLY 8 -1.880 4.245 -17.753 48 HA3 GLY 8 2HA GLY 8 -3.117 4.268 -16.687 49 H LYS 9 H LYS 9 -0.424 5.896 -15.569 50 HA LYS 9 HA LYS 9 -1.670 8.418 -16.160 51 HB2 LYS 9 1HB LYS 9 -0.180 7.555 -13.939 52 HB3 LYS 9 2HB LYS 9 0.114 9.094 -14.400 53 HG2 LYS 9 1HG LYS 9 -1.546 9.216 -12.837 54 HG3 LYS 9 2HG LYS 9 -2.268 9.479 -14.278 55 HD2 LYS 9 1HD LYS 9 -3.061 7.261 -14.323 56 HD3 LYS 9 2HD LYS 9 -2.263 6.924 -12.938 57 HE2 LYS 9 1HE LYS 9 -4.482 8.744 -13.157 58 HE3 LYS 9 2HE LYS 9 -4.555 7.257 -12.487 59 HZ1 LYS 9 1HZ LYS 9 -4.424 8.907 -10.800 60 HZ2 LYS 9 2HZ LYS 9 -3.031 9.447 -11.419 61 HZ3 LYS 9 3HZ LYS 9 -3.104 7.974 -10.756 62 H ALA 10 H ALA 10 -0.535 10.129 -17.067 63 HA ALA 10 HA ALA 10 1.643 9.432 -18.696 64 HB1 ALA 10 1HB ALA 10 0.128 11.141 -19.431 65 HB2 ALA 10 2HB ALA 10 1.609 11.781 -19.332 66 HB3 ALA 10 3HB ALA 10 0.525 12.069 -18.168 67 H ASP 11 H ASP 11 3.844 10.249 -18.534 68 HA ASP 11 HA ASP 11 4.816 10.331 -15.926 69 HB2 ASP 11 1HB ASP 11 6.111 10.947 -18.417 70 HB3 ASP 11 2HB ASP 11 6.916 11.039 -17.000 71 H GLY 12 H GLY 12 5.722 12.083 -14.697 72 HA2 GLY 12 1HA GLY 12 6.086 14.555 -14.933 73 HA3 GLY 12 2HA GLY 12 4.524 14.618 -15.403 74 H LEU 13 H LEU 13 4.644 16.226 -13.472 75 HA LEU 13 HA LEU 13 4.471 14.791 -11.027 76 HB2 LEU 13 1HB LEU 13 4.527 17.654 -11.400 77 HB3 LEU 13 2HB LEU 13 4.609 16.925 -9.941 78 HG LEU 13 HG LEU 13 6.695 16.995 -11.905 79 HD11 LEU 13 1HD1 LEU 13 7.830 18.256 -10.157 80 HD12 LEU 13 2HD1 LEU 13 6.533 18.094 -9.205 81 HD13 LEU 13 3HD1 LEU 13 6.445 18.995 -10.545 82 HD21 LEU 13 1HD2 LEU 13 8.076 15.803 -10.421 83 HD22 LEU 13 2HD2 LEU 13 6.819 14.895 -10.879 84 HD23 LEU 13 3HD2 LEU 13 6.827 15.586 -9.417 85 H TYR 14 H TYR 14 2.800 14.897 -9.523 86 HA TYR 14 HA TYR 14 0.316 16.048 -10.457 87 HB2 TYR 14 1HB TYR 14 0.629 13.443 -9.252 88 HB3 TYR 14 2HB TYR 14 -0.828 14.148 -9.468 89 HD1 TYR 14 HD1 TYR 14 1.915 12.631 -11.167 90 HD2 TYR 14 HD2 TYR 14 -1.904 14.177 -11.673 91 HE1 TYR 14 HE1 TYR 14 1.850 11.714 -13.392 92 HE2 TYR 14 HE2 TYR 14 -1.982 13.242 -13.903 93 HH TYR 14 HH TYR 14 -0.208 10.929 -15.049 94 HA PRO 15 HA PRO 15 0.537 17.889 -6.581 95 HB2 PRO 15 1HB PRO 15 -1.955 18.726 -6.066 96 HB3 PRO 15 2HB PRO 15 -1.151 19.408 -7.314 97 HG2 PRO 15 1HG PRO 15 -3.017 17.246 -7.419 98 HG3 PRO 15 2HG PRO 15 -3.007 18.598 -8.335 99 HD2 PRO 15 1HD PRO 15 -1.972 16.405 -9.276 100 HD3 PRO 15 2HD PRO 15 -1.279 17.840 -9.637 101 H ASN 16 H ASN 16 0.454 17.748 -4.396 102 HA ASN 16 HA ASN 16 -0.603 15.249 -3.462 103 HB2 ASN 16 1HB ASN 16 1.668 15.963 -2.917 104 HB3 ASN 16 2HB ASN 16 1.008 17.109 -1.959 105 HD21 ASN 16 1HD2 ASN 16 1.968 14.056 -0.066 106 HD22 ASN 16 2HD2 ASN 16 2.801 15.030 -1.231 107 HA PRO 17 HA PRO 17 -3.883 17.712 -1.909 108 HB2 PRO 17 1HB PRO 17 -5.543 15.885 -0.879 109 HB3 PRO 17 2HB PRO 17 -5.410 15.967 -2.505 110 HG2 PRO 17 1HG PRO 17 -4.016 14.211 -0.734 111 HG3 PRO 17 2HG PRO 17 -4.851 13.810 -2.079 112 HD2 PRO 17 1HD PRO 17 -2.279 14.099 -2.225 113 HD3 PRO 17 2HD PRO 17 -3.209 14.597 -3.471 114 H ARG 18 H ARG 18 -2.002 15.684 -0.041 115 HA ARG 18 HA ARG 18 -3.010 16.700 2.408 116 HB2 ARG 18 1HB ARG 18 -2.272 14.376 2.164 117 HB3 ARG 18 2HB ARG 18 -0.744 14.923 1.979 118 HG2 ARG 18 1HG ARG 18 -1.005 15.840 4.258 119 HG3 ARG 18 2HG ARG 18 -2.283 14.830 4.375 120 HD2 ARG 18 1HD ARG 18 -0.885 12.974 3.965 121 HD3 ARG 18 2HD ARG 18 0.398 13.965 3.766 122 HE ARG 18 HE ARG 18 0.560 14.326 6.042 123 HH11 ARG 18 1HH1 ARG 18 -2.102 12.154 5.249 124 HH12 ARG 18 2HH1 ARG 18 -2.285 11.644 6.894 125 HH21 ARG 18 1HH2 ARG 18 0.271 13.621 8.110 126 HH22 ARG 18 2HH2 ARG 18 -0.961 12.464 8.486 127 H GLU 19 H GLU 19 -0.262 17.150 0.409 128 HA GLU 19 HA GLU 19 0.870 18.793 2.447 129 HB2 GLU 19 1HB GLU 19 2.287 17.294 0.405 130 HB3 GLU 19 2HB GLU 19 3.055 18.242 1.491 131 HG2 GLU 19 1HG GLU 19 1.608 15.847 2.143 132 HG3 GLU 19 2HG GLU 19 3.236 15.968 2.092 133 H ARG 20 H ARG 20 2.052 20.664 2.051 134 HA ARG 20 HA ARG 20 1.123 22.084 -0.214 135 HB2 ARG 20 1HB ARG 20 1.691 22.864 2.190 136 HB3 ARG 20 2HB ARG 20 3.156 23.147 1.526 137 HG2 ARG 20 1HG ARG 20 0.745 24.368 0.607 138 HG3 ARG 20 2HG ARG 20 1.774 25.078 1.659 139 HD2 ARG 20 1HD ARG 20 3.470 25.063 -0.053 140 HD3 ARG 20 2HD ARG 20 2.368 24.465 -1.100 141 HE ARG 20 HE ARG 20 1.371 26.805 0.024 142 HH11 ARG 20 1HH1 ARG 20 3.738 25.789 -2.376 143 HH12 ARG 20 2HH1 ARG 20 3.632 27.288 -3.237 144 HH21 ARG 20 1HH2 ARG 20 1.286 28.681 -1.127 145 HH22 ARG 20 2HH2 ARG 20 2.264 28.900 -2.539 146 H SER 21 H SER 21 4.265 21.318 0.971 147 HA SER 21 HA SER 21 5.350 22.123 -1.525 148 HB2 SER 21 1HB SER 21 6.846 21.580 0.951 149 HB3 SER 21 2HB SER 21 7.431 22.445 -0.305 150 HG SER 21 HG SER 21 6.805 24.031 0.894 151 H SER 22 H SER 22 4.255 19.385 -1.096 152 HA SER 22 HA SER 22 6.520 18.113 -2.339 153 HB2 SER 22 1HB SER 22 6.303 16.099 -1.196 154 HB3 SER 22 2HB SER 22 6.334 17.266 -0.054 155 HG SER 22 HG SER 22 4.004 17.180 -0.180 156 H PHE 23 H PHE 23 5.974 16.207 -3.671 157 HA PHE 23 HA PHE 23 3.344 16.469 -4.754 158 HB2 PHE 23 1HB PHE 23 4.377 16.576 -7.023 159 HB3 PHE 23 2HB PHE 23 4.643 17.918 -6.130 160 HD1 PHE 23 HD1 PHE 23 6.778 18.746 -5.909 161 HD2 PHE 23 HD2 PHE 23 6.281 14.769 -6.983 162 HE1 PHE 23 HE1 PHE 23 9.164 18.537 -6.190 163 HE2 PHE 23 HE2 PHE 23 8.656 14.550 -7.306 164 HZ PHE 23 HZ PHE 23 10.105 16.442 -6.919 165 H TYR 24 H TYR 24 2.954 14.867 -6.580 166 HA TYR 24 HA TYR 24 4.236 12.345 -5.980 167 HB2 TYR 24 1HB TYR 24 1.809 12.858 -7.435 168 HB3 TYR 24 2HB TYR 24 2.461 11.371 -7.260 169 HD1 TYR 24 HD1 TYR 24 2.712 10.482 -4.853 170 HD2 TYR 24 HD2 TYR 24 0.204 13.620 -5.889 171 HE1 TYR 24 HE1 TYR 24 1.466 10.160 -2.810 172 HE2 TYR 24 HE2 TYR 24 -1.065 13.272 -3.870 173 HH TYR 24 HH TYR 24 -1.550 11.586 -2.205 174 H SER 25 H SER 25 5.386 11.324 -7.712 175 HA SER 25 HA SER 25 5.514 12.814 -10.191 176 HB2 SER 25 1HB SER 25 7.541 13.266 -9.037 177 HB3 SER 25 2HB SER 25 7.803 11.667 -8.833 178 HG SER 25 HG SER 25 9.015 12.184 -10.509 179 H CYS 26 H CYS 26 5.432 11.547 -12.034 180 HA CYS 26 HA CYS 26 5.277 8.695 -11.577 181 HB2 CYS 26 1HB CYS 26 3.298 10.108 -12.300 182 HB3 CYS 26 2HB CYS 26 3.953 9.839 -13.772 183 H ALA 27 H ALA 27 6.624 7.422 -12.769 184 HA ALA 27 HA ALA 27 7.778 8.494 -15.153 185 HB1 ALA 27 1HB ALA 27 9.379 9.182 -13.461 186 HB2 ALA 27 2HB ALA 27 10.068 8.062 -14.402 187 HB3 ALA 27 3HB ALA 27 9.505 7.655 -12.943 188 H ALA 28 H ALA 28 7.275 6.975 -16.631 189 HA ALA 28 HA ALA 28 6.882 4.960 -17.481 190 HB1 ALA 28 1HB ALA 28 9.290 4.691 -17.344 191 HB2 ALA 28 2HB ALA 28 8.579 3.246 -17.190 192 HB3 ALA 28 3HB ALA 28 9.138 4.016 -15.882 193 H GLY 29 H GLY 29 5.247 5.653 -15.341 194 HA2 GLY 29 1HA GLY 29 3.571 4.572 -14.260 195 HA3 GLY 29 2HA GLY 29 4.190 3.123 -14.691 196 H ARG 30 H ARG 30 6.733 4.444 -13.297 197 HA ARG 30 HA ARG 30 6.246 3.192 -10.790 198 HB2 ARG 30 1HB ARG 30 8.586 4.666 -11.588 199 HB3 ARG 30 2HB ARG 30 8.482 3.728 -10.255 200 HG2 ARG 30 1HG ARG 30 8.393 2.720 -12.959 201 HG3 ARG 30 2HG ARG 30 9.698 2.621 -11.981 202 HD2 ARG 30 1HD ARG 30 8.473 1.199 -10.501 203 HD3 ARG 30 2HD ARG 30 7.178 1.290 -11.491 204 HE ARG 30 HE ARG 30 8.135 -0.160 -12.996 205 HH11 ARG 30 1HH1 ARG 30 9.541 -1.798 -13.485 206 HH12 ARG 30 2HH1 ARG 30 10.974 -2.042 -12.544 207 HH21 ARG 30 1HH2 ARG 30 10.383 0.573 -10.384 208 HH22 ARG 30 2HH2 ARG 30 11.442 -0.725 -10.821 209 H LEU 31 H LEU 31 6.207 4.266 -8.733 210 HA LEU 31 HA LEU 31 5.325 6.994 -8.984 211 HB2 LEU 31 1HB LEU 31 4.103 5.014 -7.827 212 HB3 LEU 31 2HB LEU 31 4.961 5.557 -6.547 213 HG LEU 31 HG LEU 31 2.822 6.908 -7.872 214 HD11 LEU 31 1HD1 LEU 31 1.846 6.762 -5.596 215 HD12 LEU 31 2HD1 LEU 31 3.202 6.048 -5.079 216 HD13 LEU 31 3HD1 LEU 31 2.229 5.280 -6.117 217 HD21 LEU 31 1HD2 LEU 31 3.035 8.766 -6.444 218 HD22 LEU 31 2HD2 LEU 31 4.324 8.624 -7.411 219 HD23 LEU 31 3HD2 LEU 31 4.420 8.167 -5.863 220 H PHE 32 H PHE 32 6.511 8.666 -8.176 221 HA PHE 32 HA PHE 32 8.357 8.041 -6.042 222 HB2 PHE 32 1HB PHE 32 8.723 9.864 -8.234 223 HB3 PHE 32 2HB PHE 32 9.598 10.039 -6.865 224 HD1 PHE 32 HD1 PHE 32 8.975 7.760 -9.590 225 HD2 PHE 32 HD2 PHE 32 11.556 8.760 -6.494 226 HE1 PHE 32 HE1 PHE 32 10.585 6.173 -10.432 227 HE2 PHE 32 HE2 PHE 32 13.183 7.183 -7.328 228 HZ PHE 32 HZ PHE 32 12.699 5.884 -9.297 229 H GLN 33 H GLN 33 8.184 9.307 -4.160 230 HA GLN 33 HA GLN 33 6.337 11.556 -4.304 231 HB2 GLN 33 1HB GLN 33 6.712 9.757 -2.108 232 HB3 GLN 33 2HB GLN 33 5.893 11.163 -1.970 233 HG2 GLN 33 1HG GLN 33 4.323 10.375 -3.608 234 HG3 GLN 33 2HG GLN 33 5.118 8.949 -3.654 235 HE21 GLN 33 1HE2 GLN 33 3.297 9.683 -0.128 236 HE22 GLN 33 2HE2 GLN 33 4.339 10.858 -0.860 237 H GLN 34 H GLN 34 7.524 13.452 -4.270 238 HA GLN 34 HA GLN 34 9.832 13.570 -2.553 239 HB2 GLN 34 1HB GLN 34 9.892 14.075 -5.393 240 HB3 GLN 34 2HB GLN 34 11.079 14.609 -4.407 241 HG2 GLN 34 1HG GLN 34 11.748 12.424 -3.936 242 HG3 GLN 34 2HG GLN 34 10.463 11.814 -4.739 243 HE21 GLN 34 1HE2 GLN 34 13.836 12.447 -6.663 244 HE22 GLN 34 2HE2 GLN 34 13.664 12.544 -4.942 245 H SER 35 H SER 35 10.764 15.880 -2.446 246 HA SER 35 HA SER 35 8.501 17.634 -2.409 247 HB2 SER 35 1HB SER 35 9.684 18.787 -0.542 248 HB3 SER 35 2HB SER 35 9.317 17.238 -0.180 249 HG SER 35 HG SER 35 11.381 17.506 0.388 250 H CYS 36 H CYS 36 8.742 19.929 -2.658 251 HA CYS 36 HA CYS 36 11.040 20.707 -4.272 252 HB2 CYS 36 1HB CYS 36 8.405 20.870 -4.851 253 HB3 CYS 36 2HB CYS 36 9.028 22.377 -4.756 254 HA PRO 37 HA PRO 37 10.705 22.982 -0.472 255 HB2 PRO 37 1HB PRO 37 13.254 23.036 0.389 256 HB3 PRO 37 2HB PRO 37 12.440 21.622 0.461 257 HG2 PRO 37 1HG PRO 37 14.264 22.489 -1.562 258 HG3 PRO 37 2HG PRO 37 14.197 21.027 -0.837 259 HD2 PRO 37 1HD PRO 37 13.109 21.437 -3.199 260 HD3 PRO 37 2HD PRO 37 12.512 20.316 -2.173 261 H THR 38 H THR 38 13.808 24.254 -1.336 262 HA THR 38 HA THR 38 12.774 26.728 -0.619 263 HB THR 38 HB THR 38 15.229 27.328 -1.384 264 HG1 THR 38 HG1 THR 38 14.987 24.643 -1.667 265 HG21 THR 38 1HG2 THR 38 16.078 26.562 0.732 266 HG22 THR 38 2HG2 THR 38 14.789 25.604 0.920 267 HG23 THR 38 3HG2 THR 38 14.616 27.211 0.969 268 H GLY 39 H GLY 39 11.655 28.111 -1.803 269 HA2 GLY 39 1HA GLY 39 11.362 29.555 -3.506 270 HA3 GLY 39 2HA GLY 39 12.813 29.136 -4.127 271 H LEU 40 H LEU 40 11.099 26.398 -3.867 272 HA LEU 40 HA LEU 40 10.483 26.467 -6.673 273 HB2 LEU 40 1HB LEU 40 10.960 24.224 -4.917 274 HB3 LEU 40 2HB LEU 40 10.570 24.043 -6.493 275 HG LEU 40 HG LEU 40 13.004 25.297 -5.631 276 HD11 LEU 40 1HD1 LEU 40 14.111 23.225 -6.168 277 HD12 LEU 40 2HD1 LEU 40 12.678 22.541 -6.474 278 HD13 LEU 40 3HD1 LEU 40 13.051 22.996 -4.968 279 HD21 LEU 40 1HD2 LEU 40 13.734 24.994 -7.896 280 HD22 LEU 40 2HD2 LEU 40 12.404 25.913 -7.856 281 HD23 LEU 40 3HD2 LEU 40 12.297 24.355 -8.276 282 H VAL 41 H VAL 41 8.480 26.162 -7.504 283 HA VAL 41 HA VAL 41 6.452 25.351 -5.662 284 HB VAL 41 HB VAL 41 4.904 27.040 -6.627 285 HG11 VAL 41 1HG1 VAL 41 5.792 28.929 -5.408 286 HG12 VAL 41 2HG1 VAL 41 7.231 28.197 -5.320 287 HG13 VAL 41 3HG1 VAL 41 5.960 27.579 -4.534 288 HG21 VAL 41 1HG2 VAL 41 5.814 28.860 -7.926 289 HG22 VAL 41 2HG2 VAL 41 6.023 27.464 -8.714 290 HG23 VAL 41 3HG2 VAL 41 7.263 28.142 -7.928 291 H PHE 42 H PHE 42 4.638 24.189 -6.498 292 HA PHE 42 HA PHE 42 5.279 22.854 -8.903 293 HB2 PHE 42 1HB PHE 42 4.299 21.591 -7.165 294 HB3 PHE 42 2HB PHE 42 2.980 22.554 -7.171 295 HD1 PHE 42 HD1 PHE 42 4.682 20.888 -9.929 296 HD2 PHE 42 HD2 PHE 42 1.138 21.244 -7.782 297 HE1 PHE 42 HE1 PHE 42 3.568 19.497 -11.532 298 HE2 PHE 42 HE2 PHE 42 0.042 19.775 -9.357 299 HZ PHE 42 HZ PHE 42 1.257 18.913 -11.238 300 H SER 43 H SER 43 4.470 23.132 -10.943 301 HA SER 43 HA SER 43 2.404 25.120 -11.244 302 HB2 SER 43 1HB SER 43 4.367 25.721 -12.425 303 HB3 SER 43 2HB SER 43 4.356 24.292 -13.215 304 HG SER 43 HG SER 43 3.466 25.604 -14.626 305 H ASN 44 H ASN 44 0.479 24.059 -11.171 306 HA ASN 44 HA ASN 44 0.192 21.440 -11.854 307 HB2 ASN 44 1HB ASN 44 -1.847 23.504 -11.615 308 HB3 ASN 44 2HB ASN 44 -2.257 21.935 -11.804 309 HD21 ASN 44 1HD2 ASN 44 -2.330 21.342 -8.448 310 HD22 ASN 44 2HD2 ASN 44 -2.967 21.013 -10.025 311 H SER 45 H SER 45 0.010 24.180 -13.856 312 HA SER 45 HA SER 45 -1.464 23.010 -15.894 313 HB2 SER 45 1HB SER 45 -0.490 24.949 -17.216 314 HB3 SER 45 2HB SER 45 -1.371 25.362 -15.904 315 HG SER 45 HG SER 45 1.297 24.922 -15.586 316 H CYS 46 H CYS 46 1.972 23.240 -15.373 317 HA CYS 46 HA CYS 46 2.389 21.951 -17.885 318 HB2 CYS 46 1HB CYS 46 4.491 22.722 -17.898 319 HB3 CYS 46 2HB CYS 46 3.636 23.921 -17.193 320 H LYS 47 H LYS 47 2.110 21.057 -14.785 321 HA LYS 47 HA LYS 47 2.420 19.158 -13.718 322 HB2 LYS 47 1HB LYS 47 2.969 17.916 -16.246 323 HB3 LYS 47 2HB LYS 47 2.971 17.054 -14.859 324 HG2 LYS 47 1HG LYS 47 0.912 16.738 -15.948 325 HG3 LYS 47 2HG LYS 47 0.644 17.573 -14.570 326 HD2 LYS 47 1HD LYS 47 0.177 19.451 -15.645 327 HD3 LYS 47 2HD LYS 47 1.053 19.029 -16.957 328 HE2 LYS 47 1HE LYS 47 -0.649 17.512 -17.602 329 HE3 LYS 47 2HE LYS 47 -1.526 17.944 -16.294 330 HZ1 LYS 47 1HZ LYS 47 -2.260 19.165 -18.209 331 HZ2 LYS 47 2HZ LYS 47 -0.767 19.753 -18.412 332 HZ3 LYS 47 3HZ LYS 47 -1.636 20.181 -17.117 333 H CYS 48 H CYS 48 4.493 21.078 -13.999 334 HA CYS 48 HA CYS 48 6.739 19.446 -13.294 335 HB2 CYS 48 1HB CYS 48 7.697 21.820 -14.123 336 HB3 CYS 48 2HB CYS 48 8.015 20.341 -14.740 337 H CYS 49 H CYS 49 8.320 20.514 -11.805 338 HA CYS 49 HA CYS 49 7.054 22.536 -10.144 339 HB2 CYS 49 1HB CYS 49 7.734 20.629 -9.039 340 HB3 CYS 49 2HB CYS 49 9.260 20.861 -9.574 341 H THR 50 H THR 50 8.093 24.596 -10.009 342 HA THR 50 HA THR 50 10.528 24.877 -11.467 343 HB THR 50 HB THR 50 8.777 25.361 -13.117 344 HG1 THR 50 HG1 THR 50 10.767 26.459 -13.240 345 HG21 THR 50 1HG2 THR 50 7.373 27.286 -12.828 346 HG22 THR 50 2HG2 THR 50 8.027 27.568 -11.376 347 HG23 THR 50 3HG2 THR 50 7.100 26.263 -11.606 348 H TRP 51 H TRP 51 11.587 27.043 -11.187 349 HA TRP 51 HA TRP 51 11.437 27.891 -8.523 350 HB2 TRP 51 1HB TRP 51 13.423 28.049 -9.916 351 HB3 TRP 51 2HB TRP 51 12.703 29.270 -10.728 352 HD1 TRP 51 HD1 TRP 51 13.422 28.693 -7.084 353 HE1 TRP 51 HE1 TRP 51 14.349 30.740 -5.970 354 HE3 TRP 51 HE3 TRP 51 13.361 31.654 -11.109 355 HZ2 TRP 51 HZ2 TRP 51 14.981 33.351 -6.850 356 HZ3 TRP 51 HZ3 TRP 51 14.150 33.936 -10.896 357 HH2 TRP 51 HH2 TRP 51 14.947 34.763 -8.778 358 H ASN 52 H ASN 52 10.516 29.837 -7.628 359 HA ASN 52 HA ASN 52 8.211 30.702 -8.848 360 HB2 ASN 52 1HB ASN 52 8.527 31.041 -6.519 361 HB3 ASN 52 2HB ASN 52 9.736 32.098 -6.817 362 HD21 ASN 52 1HD2 ASN 52 7.480 34.660 -6.371 363 HD22 ASN 52 2HD2 ASN 52 8.891 33.856 -5.768 364 H GLY 53 H GLY 53 7.820 32.072 -10.553 365 HA2 GLY 53 1HA GLY 53 10.096 33.262 -11.739 366 HA3 GLY 53 2HA GLY 53 8.589 33.214 -12.365 367 H LEU 54 H LEU 54 7.879 34.466 -9.550 368 HA LEU 54 HA LEU 54 7.957 37.100 -10.572 369 HB2 LEU 54 1HB LEU 54 6.047 36.363 -9.399 370 HB3 LEU 54 2HB LEU 54 6.933 36.271 -8.030 371 HG LEU 54 HG LEU 54 7.221 38.615 -8.031 372 HD11 LEU 54 1HD1 LEU 54 6.117 40.054 -9.602 373 HD12 LEU 54 2HD1 LEU 54 5.599 38.768 -10.434 374 HD13 LEU 54 3HD1 LEU 54 7.178 39.112 -10.379 375 HD21 LEU 54 1HD2 LEU 54 4.927 39.181 -7.585 376 HD22 LEU 54 2HD2 LEU 54 5.276 37.729 -6.966 377 HD23 LEU 54 3HD2 LEU 54 4.454 37.839 -8.354 378 H VAL 55 H VAL 55 9.844 38.225 -10.501 379 HA VAL 55 HA VAL 55 11.440 37.953 -8.108 380 HB VAL 55 HB VAL 55 12.406 38.710 -10.744 381 HG11 VAL 55 1HG1 VAL 55 14.627 38.479 -9.832 382 HG12 VAL 55 2HG1 VAL 55 14.000 38.153 -8.377 383 HG13 VAL 55 3HG1 VAL 55 13.817 39.623 -9.025 384 HG21 VAL 55 1HG2 VAL 55 13.411 36.510 -10.844 385 HG22 VAL 55 2HG2 VAL 55 11.805 36.374 -10.712 386 HG23 VAL 55 3HG2 VAL 55 12.745 36.139 -9.418 387 HA PRO 56 HA PRO 56 10.427 42.218 -7.712 388 HB2 PRO 56 1HB PRO 56 10.952 42.601 -5.159 389 HB3 PRO 56 2HB PRO 56 9.797 41.500 -5.505 390 HG2 PRO 56 1HG PRO 56 12.539 41.027 -4.888 391 HG3 PRO 56 2HG PRO 56 11.232 40.236 -4.311 392 HD2 PRO 56 1HD PRO 56 12.685 39.318 -6.378 393 HD3 PRO 56 2HD PRO 56 11.136 38.867 -6.124 394 H ARG 57 H ARG 57 13.182 41.314 -8.504 395 HA ARG 57 HA ARG 57 14.478 43.819 -7.959 396 HB2 ARG 57 1HB ARG 57 15.716 41.209 -7.844 397 HB3 ARG 57 2HB ARG 57 16.598 42.583 -7.873 398 HG2 ARG 57 1HG ARG 57 15.669 43.201 -5.782 399 HG3 ARG 57 2HG ARG 57 14.843 41.792 -5.749 400 HD2 ARG 57 1HD ARG 57 16.838 41.556 -4.482 401 HD3 ARG 57 2HD ARG 57 16.926 40.597 -5.801 402 HE ARG 57 HE ARG 57 18.038 43.069 -6.416 403 HH11 ARG 57 1HH1 ARG 57 20.203 43.332 -6.611 404 HH12 ARG 57 2HH1 ARG 57 21.304 42.209 -5.886 405 HH21 ARG 57 1HH2 ARG 57 18.848 40.176 -4.578 406 HH22 ARG 57 2HH2 ARG 57 20.550 40.447 -4.751 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 3.304 -7.867 -7.614 2 H2 GLY 1 2H GLY 1 4.401 -6.718 -7.313 3 H3 GLY 1 3H GLY 1 4.148 -7.217 -8.830 4 HA2 GLY 1 1HA GLY 1 1.968 -6.309 -8.774 5 HA3 GLY 1 2HA GLY 1 2.224 -5.805 -7.241 6 H SER 2 H SER 2 1.447 -3.784 -8.652 7 HA SER 2 HA SER 2 3.844 -2.234 -9.136 8 HB2 SER 2 1HB SER 2 3.291 -3.046 -11.318 9 HB3 SER 2 2HB SER 2 1.779 -2.451 -11.159 10 HG SER 2 HG SER 2 4.097 -1.148 -11.641 11 HA PRO 3 HA PRO 3 1.086 0.446 -7.063 12 HB2 PRO 3 1HB PRO 3 1.949 2.911 -7.579 13 HB3 PRO 3 2HB PRO 3 2.837 1.949 -6.602 14 HG2 PRO 3 1HG PRO 3 3.207 2.426 -9.387 15 HG3 PRO 3 2HG PRO 3 4.335 2.463 -8.207 16 HD2 PRO 3 1HD PRO 3 4.078 0.340 -9.676 17 HD3 PRO 3 2HD PRO 3 4.459 0.188 -8.095 18 H THR 4 H THR 4 -0.920 0.287 -7.638 19 HA THR 4 HA THR 4 -1.780 0.722 -10.190 20 HB THR 4 HB THR 4 -4.069 0.767 -9.109 21 HG1 THR 4 HG1 THR 4 -4.215 0.887 -7.015 22 HG21 THR 4 1HG2 THR 4 -3.942 -1.513 -8.345 23 HG22 THR 4 2HG2 THR 4 -2.329 -1.414 -8.268 24 HG23 THR 4 3HG2 THR 4 -3.074 -1.381 -9.703 25 H PHE 5 H PHE 5 -1.324 2.912 -7.696 26 HA PHE 5 HA PHE 5 -2.822 5.031 -8.528 27 HB2 PHE 5 1HB PHE 5 -1.671 4.973 -6.421 28 HB3 PHE 5 2HB PHE 5 -0.231 4.985 -7.190 29 HD1 PHE 5 HD1 PHE 5 0.802 7.009 -7.884 30 HD2 PHE 5 HD2 PHE 5 -3.043 7.046 -6.305 31 HE1 PHE 5 HE1 PHE 5 0.942 9.398 -7.629 32 HE2 PHE 5 HE2 PHE 5 -2.923 9.442 -6.074 33 HZ PHE 5 HZ PHE 5 -0.907 10.615 -6.716 34 H CYS 6 H CYS 6 0.195 3.948 -9.750 35 HA CYS 6 HA CYS 6 0.367 6.251 -11.456 36 HB2 CYS 6 1HB CYS 6 2.214 5.681 -10.053 37 HB3 CYS 6 2HB CYS 6 2.393 4.314 -10.928 38 H GLN 7 H GLN 7 -0.488 3.033 -11.546 39 HA GLN 7 HA GLN 7 0.182 2.503 -14.208 40 HB2 GLN 7 1HB GLN 7 -1.607 1.329 -12.337 41 HB3 GLN 7 2HB GLN 7 -1.612 0.823 -13.890 42 HG2 GLN 7 1HG GLN 7 0.709 0.234 -13.659 43 HG3 GLN 7 2HG GLN 7 0.623 0.636 -12.078 44 HE21 GLN 7 1HE2 GLN 7 -0.634 -2.924 -13.346 45 HE22 GLN 7 2HE2 GLN 7 -0.030 -1.704 -14.417 46 H GLY 8 H GLY 8 -0.810 3.084 -16.099 47 HA2 GLY 8 1HA GLY 8 -2.513 3.927 -17.366 48 HA3 GLY 8 2HA GLY 8 -3.489 4.004 -16.060 49 H LYS 9 H LYS 9 -0.523 5.466 -15.548 50 HA LYS 9 HA LYS 9 -1.668 8.074 -15.981 51 HB2 LYS 9 1HB LYS 9 0.482 7.390 -14.211 52 HB3 LYS 9 2HB LYS 9 -0.104 8.902 -14.405 53 HG2 LYS 9 1HG LYS 9 -1.504 6.686 -13.322 54 HG3 LYS 9 2HG LYS 9 -0.952 7.975 -12.485 55 HD2 LYS 9 1HD LYS 9 -2.544 9.352 -13.608 56 HD3 LYS 9 2HD LYS 9 -3.125 8.028 -14.368 57 HE2 LYS 9 1HE LYS 9 -3.643 7.073 -12.220 58 HE3 LYS 9 2HE LYS 9 -3.162 8.466 -11.515 59 HZ1 LYS 9 1HZ LYS 9 -5.520 8.432 -11.732 60 HZ2 LYS 9 2HZ LYS 9 -5.380 8.245 -13.332 61 HZ3 LYS 9 3HZ LYS 9 -4.904 9.624 -12.635 62 H ALA 10 H ALA 10 -0.615 9.613 -17.271 63 HA ALA 10 HA ALA 10 1.548 8.742 -18.875 64 HB1 ALA 10 1HB ALA 10 0.093 10.376 -19.771 65 HB2 ALA 10 2HB ALA 10 1.572 11.022 -19.673 66 HB3 ALA 10 3HB ALA 10 0.449 11.402 -18.573 67 H ASP 11 H ASP 11 3.808 9.495 -18.627 68 HA ASP 11 HA ASP 11 4.613 9.800 -15.985 69 HB2 ASP 11 1HB ASP 11 6.058 10.080 -18.447 70 HB3 ASP 11 2HB ASP 11 6.798 10.394 -17.025 71 H GLY 12 H GLY 12 5.526 11.648 -14.862 72 HA2 GLY 12 1HA GLY 12 5.935 14.110 -15.396 73 HA3 GLY 12 2HA GLY 12 4.348 14.118 -15.780 74 H LEU 13 H LEU 13 4.609 15.905 -13.956 75 HA LEU 13 HA LEU 13 4.533 14.657 -11.394 76 HB2 LEU 13 1HB LEU 13 4.477 17.470 -12.024 77 HB3 LEU 13 2HB LEU 13 4.522 16.893 -10.497 78 HG LEU 13 HG LEU 13 6.677 16.775 -12.386 79 HD11 LEU 13 1HD1 LEU 13 7.753 18.295 -10.806 80 HD12 LEU 13 2HD1 LEU 13 6.428 18.260 -9.879 81 HD13 LEU 13 3HD1 LEU 13 6.375 18.952 -11.340 82 HD21 LEU 13 1HD2 LEU 13 8.020 15.824 -10.689 83 HD22 LEU 13 2HD2 LEU 13 6.794 14.839 -11.063 84 HD23 LEU 13 3HD2 LEU 13 6.733 15.729 -9.714 85 H TYR 14 H TYR 14 2.782 14.776 -9.899 86 HA TYR 14 HA TYR 14 0.301 15.660 -11.063 87 HB2 TYR 14 1HB TYR 14 0.807 13.126 -9.774 88 HB3 TYR 14 2HB TYR 14 -0.721 13.695 -9.872 89 HD1 TYR 14 HD1 TYR 14 1.986 12.355 -11.756 90 HD2 TYR 14 HD2 TYR 14 -1.950 13.658 -11.982 91 HE1 TYR 14 HE1 TYR 14 1.806 11.410 -13.960 92 HE2 TYR 14 HE2 TYR 14 -2.142 12.694 -14.190 93 HH TYR 14 HH TYR 14 -0.267 10.496 -15.462 94 HA PRO 15 HA PRO 15 -0.322 17.753 -7.363 95 HB2 PRO 15 1HB PRO 15 -2.992 18.015 -7.185 96 HB3 PRO 15 2HB PRO 15 -2.205 18.818 -8.370 97 HG2 PRO 15 1HG PRO 15 -3.490 16.276 -8.550 98 HG3 PRO 15 2HG PRO 15 -3.689 17.565 -9.534 99 HD2 PRO 15 1HD PRO 15 -2.077 15.690 -10.260 100 HD3 PRO 15 2HD PRO 15 -1.657 17.241 -10.552 101 H ASN 16 H ASN 16 -0.695 17.763 -5.235 102 HA ASN 16 HA ASN 16 -0.954 15.083 -4.230 103 HB2 ASN 16 1HB ASN 16 0.464 15.836 -2.483 104 HB3 ASN 16 2HB ASN 16 1.121 16.330 -3.894 105 HD21 ASN 16 1HD2 ASN 16 0.352 18.970 -1.111 106 HD22 ASN 16 2HD2 ASN 16 0.435 17.255 -0.880 107 HA PRO 17 HA PRO 17 -4.466 16.225 -2.105 108 HB2 PRO 17 1HB PRO 17 -4.740 14.398 -0.144 109 HB3 PRO 17 2HB PRO 17 -4.846 13.886 -1.691 110 HG2 PRO 17 1HG PRO 17 -2.542 13.865 -0.008 111 HG3 PRO 17 2HG PRO 17 -3.153 12.624 -0.876 112 HD2 PRO 17 1HD PRO 17 -1.197 14.025 -1.862 113 HD3 PRO 17 2HD PRO 17 -2.368 13.476 -2.859 114 H ARG 18 H ARG 18 -1.728 16.143 -0.020 115 HA ARG 18 HA ARG 18 -2.750 18.402 1.325 116 HB2 ARG 18 1HB ARG 18 -3.734 16.368 2.456 117 HB3 ARG 18 2HB ARG 18 -2.240 16.152 3.078 118 HG2 ARG 18 1HG ARG 18 -3.675 18.576 3.544 119 HG3 ARG 18 2HG ARG 18 -3.897 17.273 4.504 120 HD2 ARG 18 1HD ARG 18 -1.563 17.337 5.070 121 HD3 ARG 18 2HD ARG 18 -1.410 18.699 4.183 122 HE ARG 18 HE ARG 18 -2.597 18.471 6.765 123 HH11 ARG 18 1HH1 ARG 18 -3.159 20.308 7.831 124 HH12 ARG 18 2HH1 ARG 18 -3.116 21.845 7.032 125 HH21 ARG 18 1HH2 ARG 18 -2.082 20.584 3.994 126 HH22 ARG 18 2HH2 ARG 18 -2.516 22.000 4.892 127 H GLU 19 H GLU 19 -0.520 16.054 2.505 128 HA GLU 19 HA GLU 19 1.523 16.432 3.366 129 HB2 GLU 19 1HB GLU 19 1.917 17.068 0.572 130 HB3 GLU 19 2HB GLU 19 3.162 16.709 1.567 131 HG2 GLU 19 1HG GLU 19 2.663 14.799 0.311 132 HG3 GLU 19 2HG GLU 19 2.239 14.505 1.860 133 H ARG 20 H ARG 20 3.104 18.593 1.485 134 HA ARG 20 HA ARG 20 2.317 20.915 2.851 135 HB2 ARG 20 1HB ARG 20 3.925 19.837 4.394 136 HB3 ARG 20 2HB ARG 20 5.078 20.079 3.262 137 HG2 ARG 20 1HG ARG 20 5.365 21.768 4.760 138 HG3 ARG 20 2HG ARG 20 4.609 22.467 3.493 139 HD2 ARG 20 1HD ARG 20 2.525 22.240 4.632 140 HD3 ARG 20 2HD ARG 20 3.308 21.590 5.910 141 HE ARG 20 HE ARG 20 4.386 24.093 5.383 142 HH11 ARG 20 1HH1 ARG 20 1.517 22.632 6.813 143 HH12 ARG 20 2HH1 ARG 20 1.178 24.031 7.775 144 HH21 ARG 20 1HH2 ARG 20 3.880 25.848 6.639 145 HH22 ARG 20 2HH2 ARG 20 2.494 25.818 7.678 146 H SER 21 H SER 21 5.008 19.659 1.055 147 HA SER 21 HA SER 21 4.759 21.679 -0.948 148 HB2 SER 21 1HB SER 21 7.241 21.567 0.564 149 HB3 SER 21 2HB SER 21 6.940 22.589 -0.674 150 HG SER 21 HG SER 21 5.805 23.849 0.536 151 H SER 22 H SER 22 4.304 18.992 -0.991 152 HA SER 22 HA SER 22 6.467 17.941 -2.589 153 HB2 SER 22 1HB SER 22 5.950 15.770 -1.353 154 HB3 SER 22 2HB SER 22 7.007 16.827 -0.695 155 HG SER 22 HG SER 22 4.317 16.797 -0.098 156 H PHE 23 H PHE 23 5.781 16.077 -3.905 157 HA PHE 23 HA PHE 23 3.015 16.127 -4.609 158 HB2 PHE 23 1HB PHE 23 4.230 16.673 -6.966 159 HB3 PHE 23 2HB PHE 23 3.252 17.695 -6.150 160 HD1 PHE 23 HD1 PHE 23 4.179 19.572 -4.867 161 HD2 PHE 23 HD2 PHE 23 6.578 16.852 -6.862 162 HE1 PHE 23 HE1 PHE 23 6.098 20.992 -4.488 163 HE2 PHE 23 HE2 PHE 23 8.497 18.237 -6.492 164 HZ PHE 23 HZ PHE 23 8.254 20.318 -5.317 165 H TYR 24 H TYR 24 2.725 14.770 -6.747 166 HA TYR 24 HA TYR 24 4.256 12.390 -6.311 167 HB2 TYR 24 1HB TYR 24 1.885 12.806 -7.920 168 HB3 TYR 24 2HB TYR 24 2.582 11.344 -7.709 169 HD1 TYR 24 HD1 TYR 24 2.690 10.453 -5.283 170 HD2 TYR 24 HD2 TYR 24 0.121 13.460 -6.533 171 HE1 TYR 24 HE1 TYR 24 1.276 10.033 -3.380 172 HE2 TYR 24 HE2 TYR 24 -1.330 12.996 -4.656 173 HH TYR 24 HH TYR 24 -1.846 11.092 -3.094 174 H SER 25 H SER 25 5.274 11.251 -8.061 175 HA SER 25 HA SER 25 5.442 12.663 -10.564 176 HB2 SER 25 1HB SER 25 7.451 13.252 -9.402 177 HB3 SER 25 2HB SER 25 7.784 11.672 -9.161 178 HG SER 25 HG SER 25 8.981 12.298 -10.844 179 H CYS 26 H CYS 26 5.105 11.285 -12.276 180 HA CYS 26 HA CYS 26 5.345 8.451 -11.705 181 HB2 CYS 26 1HB CYS 26 3.580 9.909 -13.298 182 HB3 CYS 26 2HB CYS 26 4.066 8.472 -13.905 183 H ALA 27 H ALA 27 6.871 7.273 -12.805 184 HA ALA 27 HA ALA 27 7.960 8.340 -15.225 185 HB1 ALA 27 1HB ALA 27 9.444 9.287 -13.613 186 HB2 ALA 27 2HB ALA 27 10.243 8.157 -14.449 187 HB3 ALA 27 3HB ALA 27 9.702 7.830 -12.961 188 H ALA 28 H ALA 28 8.180 6.689 -16.672 189 HA ALA 28 HA ALA 28 8.012 4.633 -17.423 190 HB1 ALA 28 1HB ALA 28 10.305 4.426 -16.597 191 HB2 ALA 28 2HB ALA 28 9.591 2.976 -16.559 192 HB3 ALA 28 3HB ALA 28 9.751 3.835 -15.198 193 H GLY 29 H GLY 29 5.899 5.426 -15.707 194 HA2 GLY 29 1HA GLY 29 4.004 4.405 -15.028 195 HA3 GLY 29 2HA GLY 29 4.624 2.949 -15.429 196 H ARG 30 H ARG 30 6.747 4.298 -13.296 197 HA ARG 30 HA ARG 30 5.411 3.026 -11.050 198 HB2 ARG 30 1HB ARG 30 7.353 2.337 -10.152 199 HB3 ARG 30 2HB ARG 30 7.544 2.051 -11.749 200 HG2 ARG 30 1HG ARG 30 9.509 2.960 -11.412 201 HG3 ARG 30 2HG ARG 30 8.688 4.360 -11.596 202 HD2 ARG 30 1HD ARG 30 9.958 4.609 -9.654 203 HD3 ARG 30 2HD ARG 30 8.415 4.405 -9.157 204 HE ARG 30 HE ARG 30 8.911 2.373 -8.219 205 HH11 ARG 30 1HH1 ARG 30 10.373 0.977 -7.315 206 HH12 ARG 30 2HH1 ARG 30 12.048 1.048 -7.750 207 HH21 ARG 30 1HH2 ARG 30 11.692 3.683 -9.939 208 HH22 ARG 30 2HH2 ARG 30 12.785 2.554 -9.211 209 H LEU 31 H LEU 31 5.459 3.999 -8.983 210 HA LEU 31 HA LEU 31 5.271 6.788 -9.285 211 HB2 LEU 31 1HB LEU 31 3.562 5.587 -8.067 212 HB3 LEU 31 2HB LEU 31 4.679 5.095 -6.982 213 HG LEU 31 HG LEU 31 4.851 7.343 -6.176 214 HD11 LEU 31 1HD1 LEU 31 3.301 8.998 -6.897 215 HD12 LEU 31 2HD1 LEU 31 2.716 7.978 -8.008 216 HD13 LEU 31 3HD1 LEU 31 4.231 8.529 -8.135 217 HD21 LEU 31 1HD2 LEU 31 2.731 7.364 -5.042 218 HD22 LEU 31 2HD2 LEU 31 3.322 5.859 -5.074 219 HD23 LEU 31 3HD2 LEU 31 2.149 6.290 -6.101 220 H PHE 32 H PHE 32 6.583 8.357 -8.662 221 HA PHE 32 HA PHE 32 8.444 7.802 -6.518 222 HB2 PHE 32 1HB PHE 32 8.635 9.769 -8.599 223 HB3 PHE 32 2HB PHE 32 9.567 9.844 -7.260 224 HD1 PHE 32 HD1 PHE 32 8.874 7.821 -10.140 225 HD2 PHE 32 HD2 PHE 32 11.580 8.605 -7.092 226 HE1 PHE 32 HE1 PHE 32 10.518 6.463 -11.270 227 HE2 PHE 32 HE2 PHE 32 13.238 7.229 -8.185 228 HZ PHE 32 HZ PHE 32 12.708 6.165 -10.297 229 H GLN 33 H GLN 33 8.178 9.268 -4.624 230 HA GLN 33 HA GLN 33 6.193 11.407 -4.957 231 HB2 GLN 33 1HB GLN 33 6.787 9.969 -2.582 232 HB3 GLN 33 2HB GLN 33 5.856 11.309 -2.639 233 HG2 GLN 33 1HG GLN 33 4.308 10.145 -4.068 234 HG3 GLN 33 2HG GLN 33 5.225 8.799 -3.938 235 HE21 GLN 33 1HE2 GLN 33 3.771 7.668 -1.047 236 HE22 GLN 33 2HE2 GLN 33 4.836 7.352 -2.376 237 H GLN 34 H GLN 34 7.009 13.500 -4.667 238 HA GLN 34 HA GLN 34 9.761 13.648 -3.924 239 HB2 GLN 34 1HB GLN 34 8.640 14.663 -6.425 240 HB3 GLN 34 2HB GLN 34 10.109 15.159 -5.912 241 HG2 GLN 34 1HG GLN 34 9.463 12.453 -6.656 242 HG3 GLN 34 2HG GLN 34 10.337 13.487 -7.569 243 HE21 GLN 34 1HE2 GLN 34 12.403 11.092 -5.437 244 HE22 GLN 34 2HE2 GLN 34 10.908 10.826 -6.271 245 H SER 35 H SER 35 10.659 15.874 -3.718 246 HA SER 35 HA SER 35 8.639 17.951 -3.385 247 HB2 SER 35 1HB SER 35 9.806 18.840 -1.541 248 HB3 SER 35 2HB SER 35 9.272 17.336 -1.191 249 HG SER 35 HG SER 35 11.323 17.447 -0.512 250 H CYS 36 H CYS 36 9.682 20.075 -4.086 251 HA CYS 36 HA CYS 36 12.063 19.629 -5.703 252 HB2 CYS 36 1HB CYS 36 10.068 21.598 -5.892 253 HB3 CYS 36 2HB CYS 36 11.522 21.774 -6.614 254 HA PRO 37 HA PRO 37 13.325 21.431 -2.002 255 HB2 PRO 37 1HB PRO 37 16.024 21.101 -2.028 256 HB3 PRO 37 2HB PRO 37 15.059 19.803 -1.796 257 HG2 PRO 37 1HG PRO 37 16.223 20.694 -4.250 258 HG3 PRO 37 2HG PRO 37 16.201 19.176 -3.648 259 HD2 PRO 37 1HD PRO 37 14.467 19.863 -5.440 260 HD3 PRO 37 2HD PRO 37 14.023 18.851 -4.238 261 H THR 38 H THR 38 15.418 22.611 -4.523 262 HA THR 38 HA THR 38 15.562 24.991 -2.995 263 HB THR 38 HB THR 38 17.545 25.330 -4.693 264 HG1 THR 38 HG1 THR 38 17.532 22.593 -4.683 265 HG21 THR 38 1HG2 THR 38 19.017 24.122 -3.223 266 HG22 THR 38 2HG2 THR 38 17.755 23.344 -2.577 267 HG23 THR 38 3HG2 THR 38 17.940 24.931 -2.327 268 H GLY 39 H GLY 39 14.249 26.641 -3.498 269 HA2 GLY 39 1HA GLY 39 13.717 28.405 -4.777 270 HA3 GLY 39 2HA GLY 39 14.838 27.946 -5.872 271 H LEU 40 H LEU 40 12.634 25.524 -5.582 272 HA LEU 40 HA LEU 40 11.258 26.475 -7.918 273 HB2 LEU 40 1HB LEU 40 11.999 23.755 -7.288 274 HB3 LEU 40 2HB LEU 40 11.114 24.153 -8.602 275 HG LEU 40 HG LEU 40 13.863 24.928 -8.287 276 HD11 LEU 40 1HD1 LEU 40 14.365 23.112 -9.814 277 HD12 LEU 40 2HD1 LEU 40 12.808 22.677 -9.806 278 HD13 LEU 40 3HD1 LEU 40 13.698 22.523 -8.464 279 HD21 LEU 40 1HD2 LEU 40 13.811 25.420 -10.612 280 HD22 LEU 40 2HD2 LEU 40 12.728 26.325 -9.823 281 HD23 LEU 40 3HD2 LEU 40 12.242 25.034 -10.667 282 H VAL 41 H VAL 41 9.054 26.082 -8.212 283 HA VAL 41 HA VAL 41 7.720 24.814 -5.994 284 HB VAL 41 HB VAL 41 5.855 26.401 -6.293 285 HG11 VAL 41 1HG1 VAL 41 6.899 28.235 -5.132 286 HG12 VAL 41 2HG1 VAL 41 8.356 27.656 -5.525 287 HG13 VAL 41 3HG1 VAL 41 7.403 26.828 -4.515 288 HG21 VAL 41 1HG2 VAL 41 6.246 28.435 -7.557 289 HG22 VAL 41 2HG2 VAL 41 6.337 27.156 -8.542 290 HG23 VAL 41 3HG2 VAL 41 7.689 27.874 -8.022 291 H PHE 42 H PHE 42 5.750 23.603 -6.523 292 HA PHE 42 HA PHE 42 5.965 22.551 -9.129 293 HB2 PHE 42 1HB PHE 42 5.448 20.975 -7.502 294 HB3 PHE 42 2HB PHE 42 4.205 21.873 -6.940 295 HD1 PHE 42 HD1 PHE 42 4.967 20.656 -10.297 296 HD2 PHE 42 HD2 PHE 42 2.215 20.687 -7.184 297 HE1 PHE 42 HE1 PHE 42 3.430 19.386 -11.644 298 HE2 PHE 42 HE2 PHE 42 0.686 19.387 -8.520 299 HZ PHE 42 HZ PHE 42 1.301 18.724 -10.748 300 H SER 43 H SER 43 5.090 23.338 -10.918 301 HA SER 43 HA SER 43 2.734 24.943 -10.698 302 HB2 SER 43 1HB SER 43 4.414 25.863 -12.080 303 HB3 SER 43 2HB SER 43 4.463 24.502 -12.982 304 HG SER 43 HG SER 43 3.207 25.684 -14.173 305 H ASN 44 H ASN 44 0.874 23.739 -10.575 306 HA ASN 44 HA ASN 44 0.729 21.178 -11.560 307 HB2 ASN 44 1HB ASN 44 -0.740 22.006 -9.834 308 HB3 ASN 44 2HB ASN 44 -1.506 22.930 -10.941 309 HD21 ASN 44 1HD2 ASN 44 -3.944 20.511 -11.182 310 HD22 ASN 44 2HD2 ASN 44 -3.548 22.149 -10.784 311 H SER 45 H SER 45 0.034 24.134 -13.129 312 HA SER 45 HA SER 45 -1.373 23.001 -15.262 313 HB2 SER 45 1HB SER 45 -0.712 25.228 -16.334 314 HB3 SER 45 2HB SER 45 -1.665 25.310 -15.011 315 HG SER 45 HG SER 45 -0.085 26.009 -13.811 316 H CYS 46 H CYS 46 1.962 23.557 -14.664 317 HA CYS 46 HA CYS 46 2.735 22.875 -17.300 318 HB2 CYS 46 1HB CYS 46 3.933 24.452 -16.010 319 HB3 CYS 46 2HB CYS 46 4.279 23.290 -14.915 320 H LYS 47 H LYS 47 2.170 21.225 -14.462 321 HA LYS 47 HA LYS 47 2.650 19.178 -13.694 322 HB2 LYS 47 1HB LYS 47 3.154 18.303 -16.387 323 HB3 LYS 47 2HB LYS 47 2.818 17.328 -15.121 324 HG2 LYS 47 1HG LYS 47 0.940 19.202 -16.232 325 HG3 LYS 47 2HG LYS 47 0.939 17.603 -16.565 326 HD2 LYS 47 1HD LYS 47 0.450 17.109 -14.326 327 HD3 LYS 47 2HD LYS 47 0.532 18.693 -13.939 328 HE2 LYS 47 1HE LYS 47 -1.330 19.090 -15.399 329 HE3 LYS 47 2HE LYS 47 -1.453 17.477 -15.618 330 HZ1 LYS 47 1HZ LYS 47 -2.938 18.182 -13.898 331 HZ2 LYS 47 2HZ LYS 47 -1.693 18.793 -13.067 332 HZ3 LYS 47 3HZ LYS 47 -1.815 17.195 -13.284 333 H CYS 48 H CYS 48 4.646 21.181 -13.863 334 HA CYS 48 HA CYS 48 7.018 19.595 -13.614 335 HB2 CYS 48 1HB CYS 48 8.261 20.791 -15.021 336 HB3 CYS 48 2HB CYS 48 6.861 20.554 -15.829 337 H CYS 49 H CYS 49 8.806 20.789 -12.448 338 HA CYS 49 HA CYS 49 7.703 22.685 -10.594 339 HB2 CYS 49 1HB CYS 49 10.031 21.170 -10.668 340 HB3 CYS 49 2HB CYS 49 10.151 22.622 -9.929 341 H THR 50 H THR 50 8.130 24.885 -10.629 342 HA THR 50 HA THR 50 9.724 25.793 -12.835 343 HB THR 50 HB THR 50 8.161 27.762 -12.907 344 HG1 THR 50 HG1 THR 50 6.056 27.008 -11.906 345 HG21 THR 50 1HG2 THR 50 6.409 26.596 -14.048 346 HG22 THR 50 2HG2 THR 50 6.898 25.197 -13.400 347 HG23 THR 50 3HG2 THR 50 7.827 25.954 -14.486 348 H TRP 51 H TRP 51 10.718 27.936 -12.637 349 HA TRP 51 HA TRP 51 11.987 28.357 -10.210 350 HB2 TRP 51 1HB TRP 51 12.735 29.095 -12.420 351 HB3 TRP 51 2HB TRP 51 11.603 30.270 -12.352 352 HD1 TRP 51 HD1 TRP 51 11.988 31.950 -10.144 353 HE1 TRP 51 HE1 TRP 51 14.076 33.081 -9.348 354 HE3 TRP 51 HE3 TRP 51 15.224 28.922 -12.444 355 HZ2 TRP 51 HZ2 TRP 51 16.836 32.672 -9.798 356 HZ3 TRP 51 HZ3 TRP 51 17.600 29.377 -12.246 357 HH2 TRP 51 HH2 TRP 51 18.387 31.244 -10.935 358 H ASN 52 H ASN 52 11.417 29.478 -8.355 359 HA ASN 52 HA ASN 52 8.772 30.382 -8.247 360 HB2 ASN 52 1HB ASN 52 9.860 29.457 -6.303 361 HB3 ASN 52 2HB ASN 52 10.851 30.753 -6.252 362 HD21 ASN 52 1HD2 ASN 52 8.807 32.368 -4.034 363 HD22 ASN 52 2HD2 ASN 52 10.408 31.868 -4.465 364 H GLY 53 H GLY 53 7.926 32.338 -8.795 365 HA2 GLY 53 1HA GLY 53 8.756 34.760 -8.124 366 HA3 GLY 53 2HA GLY 53 9.702 34.459 -9.421 367 H LEU 54 H LEU 54 7.850 36.509 -9.437 368 HA LEU 54 HA LEU 54 5.809 35.535 -11.260 369 HB2 LEU 54 1HB LEU 54 5.045 36.623 -9.206 370 HB3 LEU 54 2HB LEU 54 5.631 38.013 -9.831 371 HG LEU 54 HG LEU 54 3.959 36.832 -11.675 372 HD11 LEU 54 1HD1 LEU 54 1.887 36.937 -10.478 373 HD12 LEU 54 2HD1 LEU 54 2.687 37.274 -9.114 374 HD13 LEU 54 3HD1 LEU 54 2.855 35.826 -9.813 375 HD21 LEU 54 1HD2 LEU 54 2.859 38.941 -11.634 376 HD22 LEU 54 2HD2 LEU 54 4.461 39.146 -11.711 377 HD23 LEU 54 3HD2 LEU 54 3.686 39.353 -10.307 378 H VAL 55 H VAL 55 5.655 36.500 -13.313 379 HA VAL 55 HA VAL 55 7.930 38.017 -14.081 380 HB VAL 55 HB VAL 55 5.720 37.103 -15.749 381 HG11 VAL 55 1HG1 VAL 55 7.096 37.560 -17.634 382 HG12 VAL 55 2HG1 VAL 55 8.237 38.169 -16.663 383 HG13 VAL 55 3HG1 VAL 55 6.812 38.919 -16.805 384 HG21 VAL 55 1HG2 VAL 55 7.231 35.324 -16.449 385 HG22 VAL 55 2HG2 VAL 55 7.002 35.235 -14.851 386 HG23 VAL 55 3HG2 VAL 55 8.363 35.882 -15.438 387 HA PRO 56 HA PRO 56 5.386 41.524 -13.460 388 HB2 PRO 56 1HB PRO 56 7.193 43.382 -12.837 389 HB3 PRO 56 2HB PRO 56 7.120 42.088 -11.843 390 HG2 PRO 56 1HG PRO 56 8.889 42.500 -14.042 391 HG3 PRO 56 2HG PRO 56 9.278 42.043 -12.522 392 HD2 PRO 56 1HD PRO 56 8.965 40.264 -14.461 393 HD3 PRO 56 2HD PRO 56 8.679 39.879 -12.899 394 H ARG 57 H ARG 57 6.832 41.067 -16.195 395 HA ARG 57 HA ARG 57 6.404 43.741 -17.179 396 HB2 ARG 57 1HB ARG 57 7.762 43.206 -19.027 397 HB3 ARG 57 2HB ARG 57 8.552 42.719 -17.683 398 HG2 ARG 57 1HG ARG 57 7.980 40.502 -18.092 399 HG3 ARG 57 2HG ARG 57 7.033 40.941 -19.348 400 HD2 ARG 57 1HD ARG 57 9.011 41.733 -20.467 401 HD3 ARG 57 2HD ARG 57 9.894 41.081 -19.259 402 HE ARG 57 HE ARG 57 8.253 39.080 -20.161 403 HH11 ARG 57 1HH1 ARG 57 8.889 37.521 -21.583 404 HH12 ARG 57 2HH1 ARG 57 10.268 37.765 -22.603 405 HH21 ARG 57 1HH2 ARG 57 10.966 40.929 -21.427 406 HH22 ARG 57 2HH2 ARG 57 11.427 39.664 -22.516 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 3.007 -7.384 -6.783 2 H2 GLY 1 2H GLY 1 3.218 -6.179 -5.726 3 H3 GLY 1 3H GLY 1 4.332 -6.460 -6.864 4 HA2 GLY 1 1HA GLY 1 2.788 -5.823 -8.542 5 HA3 GLY 1 2HA GLY 1 1.664 -5.540 -7.393 6 H SER 2 H SER 2 1.828 -3.368 -8.780 7 HA SER 2 HA SER 2 3.618 -1.625 -7.275 8 HB2 SER 2 1HB SER 2 4.029 -2.106 -9.847 9 HB3 SER 2 2HB SER 2 3.171 -0.717 -9.890 10 HG SER 2 HG SER 2 5.683 -1.138 -9.088 11 HA PRO 3 HA PRO 3 -0.035 0.414 -6.362 12 HB2 PRO 3 1HB PRO 3 1.212 3.023 -6.842 13 HB3 PRO 3 2HB PRO 3 0.461 2.564 -5.466 14 HG2 PRO 3 1HG PRO 3 2.971 2.652 -5.458 15 HG3 PRO 3 2HG PRO 3 2.254 1.359 -4.764 16 HD2 PRO 3 1HD PRO 3 3.447 1.499 -7.371 17 HD3 PRO 3 2HD PRO 3 3.626 0.316 -6.258 18 H THR 4 H THR 4 -1.936 0.738 -7.189 19 HA THR 4 HA THR 4 -2.166 1.034 -9.925 20 HB THR 4 HB THR 4 -4.576 1.654 -8.612 21 HG1 THR 4 HG1 THR 4 -3.783 0.739 -6.830 22 HG21 THR 4 1HG2 THR 4 -5.337 -0.366 -9.684 23 HG22 THR 4 2HG2 THR 4 -3.812 -0.771 -10.038 24 HG23 THR 4 3HG2 THR 4 -4.499 0.501 -10.762 25 H PHE 5 H PHE 5 -1.817 3.278 -7.550 26 HA PHE 5 HA PHE 5 -2.915 5.542 -8.562 27 HB2 PHE 5 1HB PHE 5 -1.774 5.383 -6.407 28 HB3 PHE 5 2HB PHE 5 -0.343 5.249 -7.183 29 HD1 PHE 5 HD1 PHE 5 0.831 7.196 -7.985 30 HD2 PHE 5 HD2 PHE 5 -2.950 7.547 -6.315 31 HE1 PHE 5 HE1 PHE 5 1.133 9.590 -7.813 32 HE2 PHE 5 HE2 PHE 5 -2.686 9.929 -6.202 33 HZ PHE 5 HZ PHE 5 -0.636 10.950 -6.915 34 H CYS 6 H CYS 6 0.106 4.058 -9.476 35 HA CYS 6 HA CYS 6 0.409 6.063 -11.517 36 HB2 CYS 6 1HB CYS 6 2.074 5.944 -9.806 37 HB3 CYS 6 2HB CYS 6 2.495 4.484 -10.404 38 H GLN 7 H GLN 7 -0.469 2.915 -11.225 39 HA GLN 7 HA GLN 7 0.827 1.753 -13.369 40 HB2 GLN 7 1HB GLN 7 -1.615 1.198 -12.059 41 HB3 GLN 7 2HB GLN 7 -1.301 0.415 -13.457 42 HG2 GLN 7 1HG GLN 7 0.722 -0.432 -12.419 43 HG3 GLN 7 2HG GLN 7 0.180 0.186 -11.008 44 HE21 GLN 7 1HE2 GLN 7 -1.738 -2.613 -10.241 45 HE22 GLN 7 2HE2 GLN 7 -0.849 -1.240 -9.671 46 H GLY 8 H GLY 8 0.856 2.366 -15.471 47 HA2 GLY 8 1HA GLY 8 -0.025 2.960 -17.461 48 HA3 GLY 8 2HA GLY 8 -1.534 2.808 -16.854 49 H LYS 9 H LYS 9 0.442 4.963 -15.141 50 HA LYS 9 HA LYS 9 -1.080 7.157 -16.163 51 HB2 LYS 9 1HB LYS 9 0.402 6.808 -13.812 52 HB3 LYS 9 2HB LYS 9 0.387 8.328 -14.407 53 HG2 LYS 9 1HG LYS 9 -1.386 8.145 -12.919 54 HG3 LYS 9 2HG LYS 9 -2.014 8.236 -14.424 55 HD2 LYS 9 1HD LYS 9 -2.350 5.911 -14.459 56 HD3 LYS 9 2HD LYS 9 -1.630 5.763 -13.000 57 HE2 LYS 9 1HE LYS 9 -3.412 7.039 -12.055 58 HE3 LYS 9 2HE LYS 9 -4.153 7.005 -13.510 59 HZ1 LYS 9 1HZ LYS 9 -4.959 5.222 -12.142 60 HZ2 LYS 9 2HZ LYS 9 -3.452 4.655 -11.988 61 HZ3 LYS 9 3HZ LYS 9 -4.186 4.622 -13.429 62 H ALA 10 H ALA 10 -0.242 8.978 -17.210 63 HA ALA 10 HA ALA 10 2.037 8.526 -18.738 64 HB1 ALA 10 1HB ALA 10 0.346 10.018 -19.537 65 HB2 ALA 10 2HB ALA 10 1.746 10.824 -19.470 66 HB3 ALA 10 3HB ALA 10 0.634 11.039 -18.316 67 H ASP 11 H ASP 11 4.160 9.418 -18.553 68 HA ASP 11 HA ASP 11 5.070 9.767 -15.964 69 HB2 ASP 11 1HB ASP 11 6.369 10.117 -18.503 70 HB3 ASP 11 2HB ASP 11 7.161 10.531 -17.136 71 H GLY 12 H GLY 12 5.782 11.634 -14.806 72 HA2 GLY 12 1HA GLY 12 6.053 14.129 -15.347 73 HA3 GLY 12 2HA GLY 12 4.475 14.031 -15.754 74 H LEU 13 H LEU 13 4.627 15.815 -13.912 75 HA LEU 13 HA LEU 13 4.519 14.484 -11.394 76 HB2 LEU 13 1HB LEU 13 4.431 17.324 -11.963 77 HB3 LEU 13 2HB LEU 13 4.483 16.721 -10.447 78 HG LEU 13 HG LEU 13 6.664 16.827 -12.313 79 HD11 LEU 13 1HD1 LEU 13 7.644 18.184 -10.533 80 HD12 LEU 13 2HD1 LEU 13 6.320 17.955 -9.633 81 HD13 LEU 13 3HD1 LEU 13 6.235 18.835 -10.987 82 HD21 LEU 13 1HD2 LEU 13 8.036 15.726 -10.762 83 HD22 LEU 13 2HD2 LEU 13 6.851 14.747 -11.266 84 HD23 LEU 13 3HD2 LEU 13 6.758 15.447 -9.811 85 H TYR 14 H TYR 14 2.874 14.680 -9.847 86 HA TYR 14 HA TYR 14 0.352 15.646 -10.839 87 HB2 TYR 14 1HB TYR 14 0.765 13.094 -9.538 88 HB3 TYR 14 2HB TYR 14 -0.723 13.719 -9.786 89 HD1 TYR 14 HD1 TYR 14 2.112 12.270 -11.444 90 HD2 TYR 14 HD2 TYR 14 -1.775 13.639 -12.002 91 HE1 TYR 14 HE1 TYR 14 2.096 11.333 -13.663 92 HE2 TYR 14 HE2 TYR 14 -1.794 12.678 -14.217 93 HH TYR 14 HH TYR 14 0.218 10.412 -15.290 94 HA PRO 15 HA PRO 15 0.252 17.669 -7.111 95 HB2 PRO 15 1HB PRO 15 -2.355 18.162 -6.571 96 HB3 PRO 15 2HB PRO 15 -1.686 18.873 -7.880 97 HG2 PRO 15 1HG PRO 15 -3.167 16.426 -7.799 98 HG3 PRO 15 2HG PRO 15 -3.405 17.698 -8.796 99 HD2 PRO 15 1HD PRO 15 -2.057 15.675 -9.646 100 HD3 PRO 15 2HD PRO 15 -1.587 17.178 -10.077 101 H ASN 16 H ASN 16 0.395 17.712 -5.032 102 HA ASN 16 HA ASN 16 -0.059 15.196 -3.806 103 HB2 ASN 16 1HB ASN 16 1.456 16.058 -2.153 104 HB3 ASN 16 2HB ASN 16 2.057 16.450 -3.620 105 HD21 ASN 16 1HD2 ASN 16 1.677 19.262 -1.053 106 HD22 ASN 16 2HD2 ASN 16 1.882 17.569 -0.754 107 HA PRO 17 HA PRO 17 -3.374 16.542 -1.451 108 HB2 PRO 17 1HB PRO 17 -3.547 14.733 0.565 109 HB3 PRO 17 2HB PRO 17 -3.616 14.145 -0.958 110 HG2 PRO 17 1HG PRO 17 -1.307 14.374 0.716 111 HG3 PRO 17 2HG PRO 17 -1.815 13.052 -0.097 112 HD2 PRO 17 1HD PRO 17 0.028 14.610 -1.101 113 HD3 PRO 17 2HD PRO 17 -1.018 13.822 -2.077 114 H ARG 18 H ARG 18 -0.535 16.848 0.340 115 HA ARG 18 HA ARG 18 -1.993 18.425 2.186 116 HB2 ARG 18 1HB ARG 18 -0.064 16.380 2.981 117 HB3 ARG 18 2HB ARG 18 -0.551 17.506 4.059 118 HG2 ARG 18 1HG ARG 18 -2.727 16.641 4.046 119 HG3 ARG 18 2HG ARG 18 -2.338 15.594 2.855 120 HD2 ARG 18 1HD ARG 18 -0.789 14.544 4.338 121 HD3 ARG 18 2HD ARG 18 -1.293 15.542 5.528 122 HE ARG 18 HE ARG 18 -2.719 13.287 4.476 123 HH11 ARG 18 1HH1 ARG 18 -4.491 12.575 5.583 124 HH12 ARG 18 2HH1 ARG 18 -5.173 13.517 6.867 125 HH21 ARG 18 1HH2 ARG 18 -2.912 16.090 6.627 126 HH22 ARG 18 2HH2 ARG 18 -4.302 15.462 7.447 127 H GLU 19 H GLU 19 1.379 17.732 1.467 128 HA GLU 19 HA GLU 19 2.153 19.918 2.980 129 HB2 GLU 19 1HB GLU 19 3.786 18.416 1.095 130 HB3 GLU 19 2HB GLU 19 4.407 19.392 2.249 131 HG2 GLU 19 1HG GLU 19 3.075 16.881 2.679 132 HG3 GLU 19 2HG GLU 19 4.639 17.218 3.009 133 H ARG 20 H ARG 20 3.673 21.665 2.368 134 HA ARG 20 HA ARG 20 2.319 23.220 0.552 135 HB2 ARG 20 1HB ARG 20 3.612 24.054 2.477 136 HB3 ARG 20 2HB ARG 20 4.976 23.760 1.628 137 HG2 ARG 20 1HG ARG 20 4.458 26.066 1.608 138 HG3 ARG 20 2HG ARG 20 4.410 25.453 0.095 139 HD2 ARG 20 1HD ARG 20 2.169 25.698 -0.067 140 HD3 ARG 20 2HD ARG 20 1.943 25.544 1.543 141 HE ARG 20 HE ARG 20 2.475 27.940 0.119 142 HH11 ARG 20 1HH1 ARG 20 2.194 26.473 3.319 143 HH12 ARG 20 2HH1 ARG 20 2.023 28.013 4.094 144 HH21 ARG 20 1HH2 ARG 20 2.267 29.861 1.212 145 HH22 ARG 20 2HH2 ARG 20 2.063 29.880 2.932 146 H SER 21 H SER 21 5.290 21.541 0.065 147 HA SER 21 HA SER 21 5.189 22.409 -2.653 148 HB2 SER 21 1HB SER 21 7.678 22.205 -1.078 149 HB3 SER 21 2HB SER 21 7.626 22.788 -2.603 150 HG SER 21 HG SER 21 6.760 24.620 -1.961 151 H SER 22 H SER 22 4.983 19.699 -1.028 152 HA SER 22 HA SER 22 6.834 18.157 -2.500 153 HB2 SER 22 1HB SER 22 5.847 16.263 -1.440 154 HB3 SER 22 2HB SER 22 5.995 17.447 -0.324 155 HG SER 22 HG SER 22 3.699 17.237 -1.780 156 H PHE 23 H PHE 23 6.170 16.258 -3.931 157 HA PHE 23 HA PHE 23 3.641 16.598 -5.156 158 HB2 PHE 23 1HB PHE 23 4.603 16.607 -7.414 159 HB3 PHE 23 2HB PHE 23 4.885 17.981 -6.579 160 HD1 PHE 23 HD1 PHE 23 7.041 18.791 -6.337 161 HD2 PHE 23 HD2 PHE 23 6.523 14.840 -7.483 162 HE1 PHE 23 HE1 PHE 23 9.409 18.613 -6.726 163 HE2 PHE 23 HE2 PHE 23 8.903 14.619 -7.845 164 HZ PHE 23 HZ PHE 23 10.349 16.517 -7.491 165 H TYR 24 H TYR 24 3.091 14.913 -6.751 166 HA TYR 24 HA TYR 24 4.360 12.398 -6.127 167 HB2 TYR 24 1HB TYR 24 1.981 12.946 -7.644 168 HB3 TYR 24 2HB TYR 24 2.627 11.449 -7.549 169 HD1 TYR 24 HD1 TYR 24 2.725 10.327 -5.240 170 HD2 TYR 24 HD2 TYR 24 0.383 13.639 -6.101 171 HE1 TYR 24 HE1 TYR 24 1.341 9.834 -3.321 172 HE2 TYR 24 HE2 TYR 24 -1.034 13.126 -4.224 173 HH TYR 24 HH TYR 24 -1.679 11.156 -2.842 174 H SER 25 H SER 25 5.293 11.172 -7.954 175 HA SER 25 HA SER 25 5.406 12.544 -10.476 176 HB2 SER 25 1HB SER 25 7.475 13.054 -9.339 177 HB3 SER 25 2HB SER 25 7.788 11.454 -9.239 178 HG SER 25 HG SER 25 8.876 12.152 -10.958 179 H CYS 26 H CYS 26 5.512 11.129 -12.259 180 HA CYS 26 HA CYS 26 5.416 8.301 -11.608 181 HB2 CYS 26 1HB CYS 26 3.803 9.806 -13.310 182 HB3 CYS 26 2HB CYS 26 4.212 8.306 -13.811 183 H ALA 27 H ALA 27 7.070 7.153 -12.565 184 HA ALA 27 HA ALA 27 8.264 8.183 -14.992 185 HB1 ALA 27 1HB ALA 27 9.718 8.916 -13.240 186 HB2 ALA 27 2HB ALA 27 10.473 7.794 -14.127 187 HB3 ALA 27 3HB ALA 27 9.842 7.400 -12.691 188 H ALA 28 H ALA 28 8.192 6.662 -16.534 189 HA ALA 28 HA ALA 28 7.773 4.694 -17.399 190 HB1 ALA 28 1HB ALA 28 10.095 4.263 -16.831 191 HB2 ALA 28 2HB ALA 28 9.275 2.870 -16.819 192 HB3 ALA 28 3HB ALA 28 9.635 3.608 -15.426 193 H GLY 29 H GLY 29 5.822 5.467 -15.566 194 HA2 GLY 29 1HA GLY 29 3.962 4.534 -14.701 195 HA3 GLY 29 2HA GLY 29 4.464 3.057 -15.185 196 H ARG 30 H ARG 30 6.669 4.606 -13.184 197 HA ARG 30 HA ARG 30 5.870 2.981 -10.924 198 HB2 ARG 30 1HB ARG 30 8.523 4.064 -11.301 199 HB3 ARG 30 2HB ARG 30 8.101 2.868 -10.272 200 HG2 ARG 30 1HG ARG 30 8.240 2.603 -13.139 201 HG3 ARG 30 2HG ARG 30 9.315 1.971 -12.084 202 HD2 ARG 30 1HD ARG 30 7.830 0.395 -11.364 203 HD3 ARG 30 2HD ARG 30 6.563 1.177 -12.035 204 HE ARG 30 HE ARG 30 8.344 0.486 -14.046 205 HH11 ARG 30 1HH1 ARG 30 7.930 -1.153 -15.435 206 HH12 ARG 30 2HH1 ARG 30 6.792 -2.395 -15.029 207 HH21 ARG 30 1HH2 ARG 30 5.943 -1.063 -11.968 208 HH22 ARG 30 2HH2 ARG 30 5.687 -2.347 -13.102 209 H LEU 31 H LEU 31 5.682 3.854 -8.862 210 HA LEU 31 HA LEU 31 5.137 6.595 -8.934 211 HB2 LEU 31 1HB LEU 31 4.294 4.571 -7.387 212 HB3 LEU 31 2HB LEU 31 5.183 5.456 -6.342 213 HG LEU 31 HG LEU 31 2.719 6.184 -7.584 214 HD11 LEU 31 1HD1 LEU 31 2.094 6.557 -5.246 215 HD12 LEU 31 2HD1 LEU 31 3.599 6.173 -4.798 216 HD13 LEU 31 3HD1 LEU 31 2.635 5.046 -5.441 217 HD21 LEU 31 1HD2 LEU 31 2.835 8.402 -6.726 218 HD22 LEU 31 2HD2 LEU 31 3.989 8.160 -7.833 219 HD23 LEU 31 3HD2 LEU 31 4.362 8.148 -6.260 220 H PHE 32 H PHE 32 6.201 8.332 -8.236 221 HA PHE 32 HA PHE 32 8.308 7.925 -6.306 222 HB2 PHE 32 1HB PHE 32 8.424 9.418 -8.699 223 HB3 PHE 32 2HB PHE 32 9.125 10.105 -7.393 224 HD1 PHE 32 HD1 PHE 32 9.305 7.320 -9.634 225 HD2 PHE 32 HD2 PHE 32 11.192 9.271 -6.495 226 HE1 PHE 32 HE1 PHE 32 11.254 5.931 -9.943 227 HE2 PHE 32 HE2 PHE 32 13.164 7.917 -6.842 228 HZ PHE 32 HZ PHE 32 13.196 6.254 -8.570 229 H GLN 33 H GLN 33 8.090 9.120 -4.468 230 HA GLN 33 HA GLN 33 6.075 11.234 -4.466 231 HB2 GLN 33 1HB GLN 33 6.575 9.309 -2.412 232 HB3 GLN 33 2HB GLN 33 5.695 10.662 -2.165 233 HG2 GLN 33 1HG GLN 33 3.933 9.879 -3.322 234 HG3 GLN 33 2HG GLN 33 4.855 8.901 -4.249 235 HE21 GLN 33 1HE2 GLN 33 2.973 7.436 -1.114 236 HE22 GLN 33 2HE2 GLN 33 2.733 9.038 -1.729 237 H GLN 34 H GLN 34 7.233 13.188 -4.253 238 HA GLN 34 HA GLN 34 9.655 13.039 -2.731 239 HB2 GLN 34 1HB GLN 34 9.541 14.153 -5.411 240 HB3 GLN 34 2HB GLN 34 10.873 14.216 -4.468 241 HG2 GLN 34 1HG GLN 34 11.094 11.864 -4.607 242 HG3 GLN 34 2HG GLN 34 9.747 11.785 -5.526 243 HE21 GLN 34 1HE2 GLN 34 13.226 12.228 -7.309 244 HE22 GLN 34 2HE2 GLN 34 12.964 11.627 -5.706 245 H SER 35 H SER 35 10.662 15.135 -2.157 246 HA SER 35 HA SER 35 8.637 17.181 -1.943 247 HB2 SER 35 1HB SER 35 10.131 18.007 -0.124 248 HB3 SER 35 2HB SER 35 9.423 16.569 0.189 249 HG SER 35 HG SER 35 11.246 15.510 -0.261 250 H CYS 36 H CYS 36 9.073 19.332 -2.494 251 HA CYS 36 HA CYS 36 11.419 19.778 -4.163 252 HB2 CYS 36 1HB CYS 36 8.900 20.331 -4.528 253 HB3 CYS 36 2HB CYS 36 9.541 21.758 -4.060 254 HA PRO 37 HA PRO 37 12.400 21.503 -0.360 255 HB2 PRO 37 1HB PRO 37 15.003 22.222 -0.607 256 HB3 PRO 37 2HB PRO 37 14.611 20.636 -0.619 257 HG2 PRO 37 1HG PRO 37 15.034 22.345 -2.880 258 HG3 PRO 37 2HG PRO 37 15.645 20.851 -2.633 259 HD2 PRO 37 1HD PRO 37 13.529 21.165 -4.120 260 HD3 PRO 37 2HD PRO 37 13.683 19.830 -3.191 261 H THR 38 H THR 38 14.334 23.896 -1.996 262 HA THR 38 HA THR 38 13.059 25.673 -0.186 263 HB THR 38 HB THR 38 15.466 26.227 -1.701 264 HG1 THR 38 HG1 THR 38 15.985 25.547 0.803 265 HG21 THR 38 1HG2 THR 38 16.012 27.772 0.078 266 HG22 THR 38 2HG2 THR 38 14.644 27.383 0.847 267 HG23 THR 38 3HG2 THR 38 14.582 28.183 -0.557 268 H GLY 39 H GLY 39 11.397 26.935 -0.745 269 HA2 GLY 39 1HA GLY 39 10.575 28.732 -1.843 270 HA3 GLY 39 2HA GLY 39 11.962 28.860 -2.695 271 H LEU 40 H LEU 40 10.095 25.978 -2.907 272 HA LEU 40 HA LEU 40 9.331 26.811 -5.541 273 HB2 LEU 40 1HB LEU 40 9.877 24.129 -4.645 274 HB3 LEU 40 2HB LEU 40 9.264 24.445 -6.125 275 HG LEU 40 HG LEU 40 11.297 24.014 -6.751 276 HD11 LEU 40 1HD1 LEU 40 12.654 25.905 -7.075 277 HD12 LEU 40 2HD1 LEU 40 11.735 26.747 -6.045 278 HD13 LEU 40 3HD1 LEU 40 11.111 26.223 -7.441 279 HD21 LEU 40 1HD2 LEU 40 13.234 24.199 -5.315 280 HD22 LEU 40 2HD2 LEU 40 12.071 23.354 -4.574 281 HD23 LEU 40 3HD2 LEU 40 12.324 24.902 -4.179 282 H VAL 41 H VAL 41 7.380 25.893 -6.492 283 HA VAL 41 HA VAL 41 5.404 24.895 -4.655 284 HB VAL 41 HB VAL 41 3.678 26.279 -5.706 285 HG11 VAL 41 1HG1 VAL 41 4.203 28.313 -4.532 286 HG12 VAL 41 2HG1 VAL 41 5.737 27.828 -4.371 287 HG13 VAL 41 3HG1 VAL 41 4.554 27.031 -3.610 288 HG21 VAL 41 1HG2 VAL 41 4.332 28.161 -7.075 289 HG22 VAL 41 2HG2 VAL 41 4.780 26.781 -7.790 290 HG23 VAL 41 3HG2 VAL 41 5.874 27.681 -7.010 291 H PHE 42 H PHE 42 3.457 23.905 -6.074 292 HA PHE 42 HA PHE 42 4.710 22.694 -8.375 293 HB2 PHE 42 1HB PHE 42 3.777 21.128 -6.882 294 HB3 PHE 42 2HB PHE 42 2.329 21.879 -6.952 295 HD1 PHE 42 HD1 PHE 42 4.614 20.733 -9.518 296 HD2 PHE 42 HD2 PHE 42 0.744 20.488 -8.001 297 HE1 PHE 42 HE1 PHE 42 3.989 19.361 -11.381 298 HE2 PHE 42 HE2 PHE 42 0.114 19.060 -9.841 299 HZ PHE 42 HZ PHE 42 1.741 18.480 -11.530 300 H SER 43 H SER 43 4.042 22.989 -10.473 301 HA SER 43 HA SER 43 1.692 24.605 -10.804 302 HB2 SER 43 1HB SER 43 3.614 25.785 -11.569 303 HB3 SER 43 2HB SER 43 4.024 24.534 -12.536 304 HG SER 43 HG SER 43 3.041 25.764 -13.927 305 H ASN 44 H ASN 44 -0.021 23.387 -11.379 306 HA ASN 44 HA ASN 44 0.288 20.964 -12.614 307 HB2 ASN 44 1HB ASN 44 -2.091 22.629 -12.343 308 HB3 ASN 44 2HB ASN 44 -2.199 21.126 -12.974 309 HD21 ASN 44 1HD2 ASN 44 -2.658 19.603 -9.943 310 HD22 ASN 44 2HD2 ASN 44 -2.929 19.610 -11.654 311 H SER 45 H SER 45 0.064 24.041 -13.979 312 HA SER 45 HA SER 45 -1.026 23.321 -16.430 313 HB2 SER 45 1HB SER 45 -0.116 25.509 -17.181 314 HB3 SER 45 2HB SER 45 -1.025 25.621 -15.830 315 HG SER 45 HG SER 45 0.711 25.839 -14.593 316 H CYS 46 H CYS 46 2.280 23.489 -15.353 317 HA CYS 46 HA CYS 46 3.074 22.545 -17.936 318 HB2 CYS 46 1HB CYS 46 5.128 23.429 -17.603 319 HB3 CYS 46 2HB CYS 46 4.097 24.531 -16.981 320 H LYS 47 H LYS 47 2.376 21.350 -15.031 321 HA LYS 47 HA LYS 47 2.788 19.463 -13.979 322 HB2 LYS 47 1HB LYS 47 3.981 18.337 -16.359 323 HB3 LYS 47 2HB LYS 47 3.438 17.467 -15.088 324 HG2 LYS 47 1HG LYS 47 1.730 19.002 -16.806 325 HG3 LYS 47 2HG LYS 47 1.958 17.392 -16.953 326 HD2 LYS 47 1HD LYS 47 1.019 17.091 -14.774 327 HD3 LYS 47 2HD LYS 47 0.728 18.696 -14.700 328 HE2 LYS 47 1HE LYS 47 -0.449 16.883 -16.588 329 HE3 LYS 47 2HE LYS 47 -1.232 17.588 -15.341 330 HZ1 LYS 47 1HZ LYS 47 -1.694 18.764 -17.365 331 HZ2 LYS 47 2HZ LYS 47 -0.114 19.028 -17.581 332 HZ3 LYS 47 3HZ LYS 47 -0.889 19.727 -16.346 333 H CYS 48 H CYS 48 4.706 21.530 -13.741 334 HA CYS 48 HA CYS 48 7.012 19.949 -13.096 335 HB2 CYS 48 1HB CYS 48 7.616 22.622 -13.364 336 HB3 CYS 48 2HB CYS 48 8.397 21.332 -13.989 337 H CYS 49 H CYS 49 8.321 20.644 -11.249 338 HA CYS 49 HA CYS 49 6.894 22.097 -9.234 339 HB2 CYS 49 1HB CYS 49 8.290 20.291 -8.699 340 HB3 CYS 49 2HB CYS 49 9.571 21.166 -9.210 341 H THR 50 H THR 50 7.132 24.387 -9.079 342 HA THR 50 HA THR 50 9.137 25.545 -10.772 343 HB THR 50 HB THR 50 7.449 27.343 -11.303 344 HG1 THR 50 HG1 THR 50 5.247 26.533 -10.941 345 HG21 THR 50 1HG2 THR 50 6.231 26.024 -12.912 346 HG22 THR 50 2HG2 THR 50 6.658 24.666 -12.146 347 HG23 THR 50 3HG2 THR 50 7.774 25.542 -12.921 348 H TRP 51 H TRP 51 9.624 27.909 -10.346 349 HA TRP 51 HA TRP 51 10.194 28.202 -7.659 350 HB2 TRP 51 1HB TRP 51 11.440 29.282 -9.482 351 HB3 TRP 51 2HB TRP 51 10.196 30.324 -9.663 352 HD1 TRP 51 HD1 TRP 51 11.837 29.437 -6.393 353 HE1 TRP 51 HE1 TRP 51 12.697 31.450 -5.192 354 HE3 TRP 51 HE3 TRP 51 10.872 32.788 -9.990 355 HZ2 TRP 51 HZ2 TRP 51 12.928 34.174 -5.812 356 HZ3 TRP 51 HZ3 TRP 51 11.429 35.103 -9.582 357 HH2 TRP 51 HH2 TRP 51 12.427 35.782 -7.501 358 H ASN 52 H ASN 52 9.462 29.563 -6.006 359 HA ASN 52 HA ASN 52 6.732 29.933 -5.953 360 HB2 ASN 52 1HB ASN 52 8.024 29.650 -3.957 361 HB3 ASN 52 2HB ASN 52 8.788 31.067 -4.232 362 HD21 ASN 52 1HD2 ASN 52 5.228 30.992 -2.424 363 HD22 ASN 52 2HD2 ASN 52 5.926 29.578 -3.141 364 H GLY 53 H GLY 53 9.210 32.104 -6.906 365 HA2 GLY 53 1HA GLY 53 8.771 33.858 -8.338 366 HA3 GLY 53 2HA GLY 53 7.188 33.838 -7.939 367 H LEU 54 H LEU 54 8.622 33.869 -5.056 368 HA LEU 54 HA LEU 54 8.044 36.528 -4.583 369 HB2 LEU 54 1HB LEU 54 8.127 34.786 -2.884 370 HB3 LEU 54 2HB LEU 54 9.756 34.885 -2.933 371 HG LEU 54 HG LEU 54 8.511 37.323 -2.367 372 HD11 LEU 54 1HD1 LEU 54 7.938 36.703 -0.066 373 HD12 LEU 54 2HD1 LEU 54 8.335 35.169 -0.387 374 HD13 LEU 54 3HD1 LEU 54 7.047 35.837 -1.101 375 HD21 LEU 54 1HD2 LEU 54 10.202 37.547 -0.728 376 HD22 LEU 54 2HD2 LEU 54 10.840 37.172 -2.166 377 HD23 LEU 54 3HD2 LEU 54 10.694 36.036 -1.024 378 H VAL 55 H VAL 55 9.056 38.379 -5.078 379 HA VAL 55 HA VAL 55 11.937 38.252 -5.347 380 HB VAL 55 HB VAL 55 10.171 40.093 -6.707 381 HG11 VAL 55 1HG1 VAL 55 12.129 40.862 -7.875 382 HG12 VAL 55 2HG1 VAL 55 13.049 39.874 -6.984 383 HG13 VAL 55 3HG1 VAL 55 12.290 41.121 -6.288 384 HG21 VAL 55 1HG2 VAL 55 10.784 38.946 -8.736 385 HG22 VAL 55 2HG2 VAL 55 10.059 37.920 -7.718 386 HG23 VAL 55 3HG2 VAL 55 11.668 37.898 -7.879 387 HA PRO 56 HA PRO 56 11.361 40.966 -1.981 388 HB2 PRO 56 1HB PRO 56 13.798 41.059 -0.891 389 HB3 PRO 56 2HB PRO 56 13.047 39.609 -0.906 390 HG2 PRO 56 1HG PRO 56 14.965 40.604 -2.757 391 HG3 PRO 56 2HG PRO 56 14.942 39.144 -2.026 392 HD2 PRO 56 1HD PRO 56 14.022 39.482 -4.466 393 HD3 PRO 56 2HD PRO 56 13.442 38.310 -3.487 394 H ARG 57 H ARG 57 13.035 41.942 -4.582 395 HA ARG 57 HA ARG 57 12.921 44.654 -3.673 396 HB2 ARG 57 1HB ARG 57 15.213 43.505 -5.048 397 HB3 ARG 57 2HB ARG 57 15.058 45.108 -4.776 398 HG2 ARG 57 1HG ARG 57 15.333 43.162 -2.705 399 HG3 ARG 57 2HG ARG 57 16.564 44.068 -3.281 400 HD2 ARG 57 1HD ARG 57 15.323 46.015 -2.581 401 HD3 ARG 57 2HD ARG 57 14.298 45.001 -1.814 402 HE ARG 57 HE ARG 57 17.002 44.609 -1.060 403 HH11 ARG 57 1HH1 ARG 57 14.113 46.458 -0.318 404 HH12 ARG 57 2HH1 ARG 57 14.636 46.783 1.301 405 HH21 ARG 57 1HH2 ARG 57 17.599 45.055 1.021 406 HH22 ARG 57 2HH2 ARG 57 16.576 46.002 2.049 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 4.776 -6.925 -10.061 2 H2 GLY 1 2H GLY 1 5.283 -5.876 -8.940 3 H3 GLY 1 3H GLY 1 5.929 -5.851 -10.422 4 HA2 GLY 1 1HA GLY 1 3.857 -5.160 -11.322 5 HA3 GLY 1 2HA GLY 1 3.205 -5.186 -9.825 6 H SER 2 H SER 2 2.601 -2.917 -10.329 7 HA SER 2 HA SER 2 4.617 -1.157 -9.255 8 HB2 SER 2 1HB SER 2 4.708 -1.093 -11.787 9 HB3 SER 2 2HB SER 2 3.365 -0.176 -11.633 10 HG SER 2 HG SER 2 5.918 0.380 -10.914 11 HA PRO 3 HA PRO 3 0.871 0.144 -7.439 12 HB2 PRO 3 1HB PRO 3 1.600 2.959 -7.676 13 HB3 PRO 3 2HB PRO 3 1.176 2.192 -6.298 14 HG2 PRO 3 1HG PRO 3 3.596 2.778 -6.636 15 HG3 PRO 3 2HG PRO 3 3.239 1.305 -6.027 16 HD2 PRO 3 1HD PRO 3 3.935 1.942 -8.745 17 HD3 PRO 3 2HD PRO 3 4.507 0.709 -7.840 18 H THR 4 H THR 4 -1.217 0.523 -7.934 19 HA THR 4 HA THR 4 -1.788 1.007 -10.602 20 HB THR 4 HB THR 4 -4.153 1.202 -9.739 21 HG1 THR 4 HG1 THR 4 -3.609 1.971 -7.708 22 HG21 THR 4 1HG2 THR 4 -4.279 -1.127 -9.164 23 HG22 THR 4 2HG2 THR 4 -2.678 -1.176 -8.939 24 HG23 THR 4 3HG2 THR 4 -3.280 -0.966 -10.425 25 H PHE 5 H PHE 5 -1.289 2.997 -7.975 26 HA PHE 5 HA PHE 5 -2.593 5.287 -8.636 27 HB2 PHE 5 1HB PHE 5 -1.347 4.855 -6.576 28 HB3 PHE 5 2HB PHE 5 0.038 5.089 -7.409 29 HD1 PHE 5 HD1 PHE 5 0.889 7.294 -7.832 30 HD2 PHE 5 HD2 PHE 5 -2.853 6.766 -6.095 31 HE1 PHE 5 HE1 PHE 5 0.863 9.628 -7.184 32 HE2 PHE 5 HE2 PHE 5 -2.917 9.101 -5.512 33 HZ PHE 5 HZ PHE 5 -1.053 10.526 -6.046 34 H CYS 6 H CYS 6 0.391 4.091 -9.896 35 HA CYS 6 HA CYS 6 0.605 6.441 -11.527 36 HB2 CYS 6 1HB CYS 6 2.444 4.921 -10.192 37 HB3 CYS 6 2HB CYS 6 2.844 4.947 -11.775 38 H GLN 7 H GLN 7 -0.566 3.466 -11.831 39 HA GLN 7 HA GLN 7 0.480 2.747 -14.323 40 HB2 GLN 7 1HB GLN 7 -1.579 1.825 -12.636 41 HB3 GLN 7 2HB GLN 7 -1.690 1.392 -14.207 42 HG2 GLN 7 1HG GLN 7 0.438 0.341 -14.055 43 HG3 GLN 7 2HG GLN 7 0.517 0.749 -12.476 44 HE21 GLN 7 1HE2 GLN 7 -0.939 -2.184 -11.442 45 HE22 GLN 7 2HE2 GLN 7 0.227 -0.935 -11.160 46 H GLY 8 H GLY 8 -0.056 3.435 -16.350 47 HA2 GLY 8 1HA GLY 8 -1.397 4.347 -17.937 48 HA3 GLY 8 2HA GLY 8 -2.659 4.350 -16.899 49 H LYS 9 H LYS 9 0.198 5.901 -15.906 50 HA LYS 9 HA LYS 9 -1.059 8.466 -16.344 51 HB2 LYS 9 1HB LYS 9 0.426 7.538 -14.125 52 HB3 LYS 9 2HB LYS 9 0.594 9.117 -14.507 53 HG2 LYS 9 1HG LYS 9 -1.109 9.116 -13.017 54 HG3 LYS 9 2HG LYS 9 -1.873 9.200 -14.458 55 HD2 LYS 9 1HD LYS 9 -2.349 6.951 -14.413 56 HD3 LYS 9 2HD LYS 9 -1.400 6.728 -13.103 57 HE2 LYS 9 1HE LYS 9 -2.959 8.028 -11.825 58 HE3 LYS 9 2HE LYS 9 -3.935 8.069 -13.133 59 HZ1 LYS 9 1HZ LYS 9 -4.556 6.245 -11.709 60 HZ2 LYS 9 2HZ LYS 9 -3.062 5.637 -11.833 61 HZ3 LYS 9 3HZ LYS 9 -4.029 5.678 -13.128 62 H ALA 10 H ALA 10 0.111 10.200 -17.108 63 HA ALA 10 HA ALA 10 2.322 9.543 -18.726 64 HB1 ALA 10 1HB ALA 10 0.811 11.257 -19.457 65 HB2 ALA 10 2HB ALA 10 2.284 11.906 -19.308 66 HB3 ALA 10 3HB ALA 10 1.170 12.157 -18.163 67 H ASP 11 H ASP 11 4.502 10.482 -18.513 68 HA ASP 11 HA ASP 11 5.455 10.492 -15.905 69 HB2 ASP 11 1HB ASP 11 6.741 11.544 -18.273 70 HB3 ASP 11 2HB ASP 11 7.521 11.205 -16.879 71 H GLY 12 H GLY 12 6.003 12.188 -14.457 72 HA2 GLY 12 1HA GLY 12 6.347 14.705 -14.662 73 HA3 GLY 12 2HA GLY 12 4.789 14.706 -15.153 74 H LEU 13 H LEU 13 4.837 16.311 -13.257 75 HA LEU 13 HA LEU 13 4.610 14.952 -10.758 76 HB2 LEU 13 1HB LEU 13 4.590 17.776 -11.341 77 HB3 LEU 13 2HB LEU 13 4.476 17.185 -9.823 78 HG LEU 13 HG LEU 13 6.796 17.074 -11.484 79 HD11 LEU 13 1HD1 LEU 13 7.729 18.574 -9.814 80 HD12 LEU 13 2HD1 LEU 13 6.317 18.561 -9.026 81 HD13 LEU 13 3HD1 LEU 13 6.419 19.241 -10.489 82 HD21 LEU 13 1HD2 LEU 13 7.971 16.124 -9.643 83 HD22 LEU 13 2HD2 LEU 13 6.790 15.135 -10.135 84 HD23 LEU 13 3HD2 LEU 13 6.590 16.033 -8.806 85 H TYR 14 H TYR 14 2.775 15.098 -9.362 86 HA TYR 14 HA TYR 14 0.354 15.920 -10.674 87 HB2 TYR 14 1HB TYR 14 0.849 13.353 -9.422 88 HB3 TYR 14 2HB TYR 14 -0.682 13.869 -9.662 89 HD1 TYR 14 HD1 TYR 14 2.213 12.596 -11.245 90 HD2 TYR 14 HD2 TYR 14 -1.632 13.989 -11.943 91 HE1 TYR 14 HE1 TYR 14 2.327 11.760 -13.506 92 HE2 TYR 14 HE2 TYR 14 -1.537 13.127 -14.201 93 HH TYR 14 HH TYR 14 0.510 10.949 -15.303 94 HA PRO 15 HA PRO 15 -0.524 17.855 -6.934 95 HB2 PRO 15 1HB PRO 15 -3.178 18.184 -6.985 96 HB3 PRO 15 2HB PRO 15 -2.264 19.022 -8.047 97 HG2 PRO 15 1HG PRO 15 -3.623 16.557 -8.485 98 HG3 PRO 15 2HG PRO 15 -3.660 17.898 -9.417 99 HD2 PRO 15 1HD PRO 15 -2.070 15.956 -10.056 100 HD3 PRO 15 2HD PRO 15 -1.574 17.497 -10.274 101 H ASN 16 H ASN 16 -1.044 17.727 -4.855 102 HA ASN 16 HA ASN 16 -1.791 15.075 -4.050 103 HB2 ASN 16 1HB ASN 16 -0.085 15.228 -2.358 104 HB3 ASN 16 2HB ASN 16 0.585 15.485 -3.825 105 HD21 ASN 16 1HD2 ASN 16 1.097 18.122 -1.050 106 HD22 ASN 16 2HD2 ASN 16 0.673 16.456 -0.837 107 HA PRO 17 HA PRO 17 -4.510 17.074 -1.444 108 HB2 PRO 17 1HB PRO 17 -5.440 15.106 0.135 109 HB3 PRO 17 2HB PRO 17 -5.611 14.895 -1.475 110 HG2 PRO 17 1HG PRO 17 -3.481 13.933 0.184 111 HG3 PRO 17 2HG PRO 17 -4.387 13.066 -0.863 112 HD2 PRO 17 1HD PRO 17 -2.056 14.000 -1.583 113 HD3 PRO 17 2HD PRO 17 -3.266 13.862 -2.672 114 H ARG 18 H ARG 18 -1.810 15.985 0.189 115 HA ARG 18 HA ARG 18 -2.789 17.219 2.585 116 HB2 ARG 18 1HB ARG 18 -2.521 14.812 2.835 117 HB3 ARG 18 2HB ARG 18 -0.958 14.941 2.378 118 HG2 ARG 18 1HG ARG 18 -0.439 16.043 4.394 119 HG3 ARG 18 2HG ARG 18 -2.007 15.982 4.847 120 HD2 ARG 18 1HD ARG 18 -0.877 14.270 5.950 121 HD3 ARG 18 2HD ARG 18 -1.861 13.584 4.841 122 HE ARG 18 HE ARG 18 0.478 13.813 3.535 123 HH11 ARG 18 1HH1 ARG 18 -0.475 12.197 6.520 124 HH12 ARG 18 2HH1 ARG 18 0.762 10.996 6.355 125 HH21 ARG 18 1HH2 ARG 18 2.003 12.260 3.394 126 HH22 ARG 18 2HH2 ARG 18 2.144 11.033 4.609 127 H GLU 19 H GLU 19 0.295 16.451 1.209 128 HA GLU 19 HA GLU 19 1.657 18.061 2.976 129 HB2 GLU 19 1HB GLU 19 2.590 17.107 0.415 130 HB3 GLU 19 2HB GLU 19 3.573 17.685 1.584 131 HG2 GLU 19 1HG GLU 19 3.822 15.433 1.709 132 HG3 GLU 19 2HG GLU 19 2.828 15.796 2.953 133 H ARG 20 H ARG 20 2.842 20.050 2.708 134 HA ARG 20 HA ARG 20 1.446 21.839 0.989 135 HB2 ARG 20 1HB ARG 20 2.172 22.296 3.355 136 HB3 ARG 20 2HB ARG 20 3.643 22.596 2.712 137 HG2 ARG 20 1HG ARG 20 1.288 24.108 2.090 138 HG3 ARG 20 2HG ARG 20 2.418 24.582 3.170 139 HD2 ARG 20 1HD ARG 20 4.017 24.713 1.361 140 HD3 ARG 20 2HD ARG 20 2.809 24.378 0.315 141 HE ARG 20 HE ARG 20 1.928 26.487 0.544 142 HH11 ARG 20 1HH1 ARG 20 4.685 26.042 2.695 143 HH12 ARG 20 2HH1 ARG 20 4.793 27.736 3.038 144 HH21 ARG 20 1HH2 ARG 20 2.131 28.627 1.041 145 HH22 ARG 20 2HH2 ARG 20 3.373 29.172 2.118 146 H SER 21 H SER 21 4.829 21.337 1.591 147 HA SER 21 HA SER 21 5.419 22.448 -0.961 148 HB2 SER 21 1HB SER 21 7.319 21.790 1.170 149 HB3 SER 21 2HB SER 21 7.654 22.766 -0.096 150 HG SER 21 HG SER 21 6.322 24.308 0.682 151 H SER 22 H SER 22 4.461 19.709 -0.691 152 HA SER 22 HA SER 22 6.464 18.470 -2.328 153 HB2 SER 22 1HB SER 22 5.777 16.397 -0.824 154 HB3 SER 22 2HB SER 22 7.198 17.194 -0.707 155 HG SER 22 HG SER 22 4.925 17.778 0.737 156 H PHE 23 H PHE 23 5.545 16.406 -3.331 157 HA PHE 23 HA PHE 23 2.784 16.663 -3.992 158 HB2 PHE 23 1HB PHE 23 3.930 16.953 -6.416 159 HB3 PHE 23 2HB PHE 23 3.104 18.120 -5.628 160 HD1 PHE 23 HD1 PHE 23 4.266 20.006 -4.598 161 HD2 PHE 23 HD2 PHE 23 6.269 16.871 -6.395 162 HE1 PHE 23 HE1 PHE 23 6.330 21.251 -4.438 163 HE2 PHE 23 HE2 PHE 23 8.347 18.071 -6.241 164 HZ PHE 23 HZ PHE 23 8.378 20.267 -5.249 165 H TYR 24 H TYR 24 2.461 15.209 -6.161 166 HA TYR 24 HA TYR 24 3.843 12.755 -5.582 167 HB2 TYR 24 1HB TYR 24 1.504 13.243 -7.211 168 HB3 TYR 24 2HB TYR 24 2.184 11.764 -7.077 169 HD1 TYR 24 HD1 TYR 24 2.499 11.138 -4.397 170 HD2 TYR 24 HD2 TYR 24 -0.509 13.436 -6.097 171 HE1 TYR 24 HE1 TYR 24 1.041 10.595 -2.553 172 HE2 TYR 24 HE2 TYR 24 -1.978 12.868 -4.266 173 HH TYR 24 HH TYR 24 -2.322 11.296 -2.547 174 H SER 25 H SER 25 4.732 11.511 -7.422 175 HA SER 25 HA SER 25 5.233 13.015 -9.816 176 HB2 SER 25 1HB SER 25 7.122 13.482 -8.394 177 HB3 SER 25 2HB SER 25 7.386 11.879 -8.227 178 HG SER 25 HG SER 25 8.785 12.589 -9.707 179 H CYS 26 H CYS 26 5.540 11.715 -11.651 180 HA CYS 26 HA CYS 26 5.470 8.878 -11.164 181 HB2 CYS 26 1HB CYS 26 3.355 9.990 -11.879 182 HB3 CYS 26 2HB CYS 26 4.055 9.979 -13.354 183 H ALA 27 H ALA 27 6.996 7.739 -12.259 184 HA ALA 27 HA ALA 27 8.003 8.838 -14.710 185 HB1 ALA 27 1HB ALA 27 9.557 9.689 -13.087 186 HB2 ALA 27 2HB ALA 27 10.312 8.591 -14.003 187 HB3 ALA 27 3HB ALA 27 9.808 8.197 -12.518 188 H ALA 28 H ALA 28 8.016 7.254 -16.230 189 HA ALA 28 HA ALA 28 7.815 5.223 -17.056 190 HB1 ALA 28 1HB ALA 28 10.184 5.075 -16.481 191 HB2 ALA 28 2HB ALA 28 9.529 3.598 -16.446 192 HB3 ALA 28 3HB ALA 28 9.799 4.395 -15.066 193 H GLY 29 H GLY 29 5.813 5.813 -15.186 194 HA2 GLY 29 1HA GLY 29 4.054 4.658 -14.350 195 HA3 GLY 29 2HA GLY 29 4.736 3.249 -14.815 196 H ARG 30 H ARG 30 6.758 5.053 -12.883 197 HA ARG 30 HA ARG 30 6.155 3.408 -10.587 198 HB2 ARG 30 1HB ARG 30 8.609 4.869 -11.030 199 HB3 ARG 30 2HB ARG 30 8.371 3.733 -9.882 200 HG2 ARG 30 1HG ARG 30 8.507 3.172 -12.700 201 HG3 ARG 30 2HG ARG 30 9.729 2.911 -11.648 202 HD2 ARG 30 1HD ARG 30 8.380 1.318 -10.508 203 HD3 ARG 30 2HD ARG 30 7.195 1.555 -11.606 204 HE ARG 30 HE ARG 30 9.430 0.862 -13.032 205 HH11 ARG 30 1HH1 ARG 30 9.794 -1.185 -13.776 206 HH12 ARG 30 2HH1 ARG 30 8.996 -2.543 -13.056 207 HH21 ARG 30 1HH2 ARG 30 7.262 -0.678 -10.730 208 HH22 ARG 30 2HH2 ARG 30 7.581 -2.262 -11.355 209 H LEU 31 H LEU 31 5.668 4.356 -8.593 210 HA LEU 31 HA LEU 31 5.099 7.133 -8.708 211 HB2 LEU 31 1HB LEU 31 3.478 5.791 -7.666 212 HB3 LEU 31 2HB LEU 31 4.596 5.148 -6.663 213 HG LEU 31 HG LEU 31 4.698 7.187 -5.460 214 HD11 LEU 31 1HD1 LEU 31 3.200 8.978 -5.877 215 HD12 LEU 31 2HD1 LEU 31 2.659 8.228 -7.203 216 HD13 LEU 31 3HD1 LEU 31 4.185 8.759 -7.140 217 HD21 LEU 31 1HD2 LEU 31 2.498 7.034 -4.450 218 HD22 LEU 31 2HD2 LEU 31 3.079 5.551 -4.732 219 HD23 LEU 31 3HD2 LEU 31 1.974 6.190 -5.726 220 H PHE 32 H PHE 32 6.375 8.736 -8.024 221 HA PHE 32 HA PHE 32 8.219 8.142 -5.860 222 HB2 PHE 32 1HB PHE 32 8.585 10.013 -7.996 223 HB3 PHE 32 2HB PHE 32 9.496 10.044 -6.641 224 HD1 PHE 32 HD1 PHE 32 8.643 7.941 -9.439 225 HD2 PHE 32 HD2 PHE 32 11.427 8.688 -6.449 226 HE1 PHE 32 HE1 PHE 32 10.147 6.360 -10.464 227 HE2 PHE 32 HE2 PHE 32 12.938 7.085 -7.442 228 HZ PHE 32 HZ PHE 32 12.303 5.929 -9.467 229 H GLN 33 H GLN 33 7.911 9.521 -3.995 230 HA GLN 33 HA GLN 33 5.894 11.645 -4.298 231 HB2 GLN 33 1HB GLN 33 6.519 10.191 -1.935 232 HB3 GLN 33 2HB GLN 33 5.427 11.400 -2.051 233 HG2 GLN 33 1HG GLN 33 4.073 10.054 -3.501 234 HG3 GLN 33 2HG GLN 33 5.174 8.850 -3.426 235 HE21 GLN 33 1HE2 GLN 33 4.334 7.849 -0.124 236 HE22 GLN 33 2HE2 GLN 33 5.721 8.098 -1.131 237 H GLN 34 H GLN 34 6.779 13.720 -4.185 238 HA GLN 34 HA GLN 34 9.445 13.826 -3.195 239 HB2 GLN 34 1HB GLN 34 8.643 14.782 -5.850 240 HB3 GLN 34 2HB GLN 34 10.133 15.066 -5.246 241 HG2 GLN 34 1HG GLN 34 10.511 12.684 -5.247 242 HG3 GLN 34 2HG GLN 34 9.087 12.507 -6.026 243 HE21 GLN 34 1HE2 GLN 34 12.355 13.149 -8.098 244 HE22 GLN 34 2HE2 GLN 34 12.306 12.709 -6.423 245 H SER 35 H SER 35 10.448 15.909 -2.900 246 HA SER 35 HA SER 35 8.622 18.195 -2.972 247 HB2 SER 35 1HB SER 35 10.009 19.207 -1.326 248 HB3 SER 35 2HB SER 35 9.283 17.863 -0.748 249 HG SER 35 HG SER 35 11.141 16.716 -1.012 250 H CYS 36 H CYS 36 9.904 20.141 -3.937 251 HA CYS 36 HA CYS 36 12.028 19.176 -5.650 252 HB2 CYS 36 1HB CYS 36 10.469 21.522 -5.786 253 HB3 CYS 36 2HB CYS 36 11.824 21.334 -6.678 254 HA PRO 37 HA PRO 37 14.342 20.983 -2.536 255 HB2 PRO 37 1HB PRO 37 16.906 20.653 -3.341 256 HB3 PRO 37 2HB PRO 37 16.051 19.359 -2.829 257 HG2 PRO 37 1HG PRO 37 16.456 20.226 -5.524 258 HG3 PRO 37 2HG PRO 37 16.612 18.713 -4.928 259 HD2 PRO 37 1HD PRO 37 14.428 19.389 -6.150 260 HD3 PRO 37 2HD PRO 37 14.352 18.383 -4.865 261 H THR 38 H THR 38 15.754 22.160 -5.541 262 HA THR 38 HA THR 38 16.415 24.475 -4.098 263 HB THR 38 HB THR 38 17.054 25.050 -6.654 264 HG1 THR 38 HG1 THR 38 16.964 22.295 -6.415 265 HG21 THR 38 1HG2 THR 38 19.191 24.162 -6.140 266 HG22 THR 38 2HG2 THR 38 18.561 23.300 -4.925 267 HG23 THR 38 3HG2 THR 38 18.618 24.913 -4.827 268 H GLY 39 H GLY 39 14.447 25.270 -3.410 269 HA2 GLY 39 1HA GLY 39 13.137 27.073 -3.530 270 HA3 GLY 39 2HA GLY 39 13.918 27.534 -4.888 271 H LEU 40 H LEU 40 12.610 24.710 -5.781 272 HA LEU 40 HA LEU 40 10.875 26.218 -7.384 273 HB2 LEU 40 1HB LEU 40 11.220 23.343 -7.524 274 HB3 LEU 40 2HB LEU 40 10.651 24.279 -8.735 275 HG LEU 40 HG LEU 40 13.383 24.172 -7.882 276 HD11 LEU 40 1HD1 LEU 40 13.785 23.101 -10.019 277 HD12 LEU 40 2HD1 LEU 40 12.200 23.144 -10.332 278 HD13 LEU 40 3HD1 LEU 40 12.762 22.216 -9.133 279 HD21 LEU 40 1HD2 LEU 40 13.922 25.553 -9.751 280 HD22 LEU 40 2HD2 LEU 40 12.954 26.339 -8.721 281 HD23 LEU 40 3HD2 LEU 40 12.349 25.717 -10.085 282 H VAL 41 H VAL 41 8.674 25.749 -7.981 283 HA VAL 41 HA VAL 41 7.236 24.454 -5.865 284 HB VAL 41 HB VAL 41 5.370 25.999 -6.286 285 HG11 VAL 41 1HG1 VAL 41 6.369 27.862 -5.061 286 HG12 VAL 41 2HG1 VAL 41 7.843 27.292 -5.402 287 HG13 VAL 41 3HG1 VAL 41 6.862 26.461 -4.421 288 HG21 VAL 41 1HG2 VAL 41 5.783 28.037 -7.519 289 HG22 VAL 41 2HG2 VAL 41 5.941 26.760 -8.498 290 HG23 VAL 41 3HG2 VAL 41 7.256 27.503 -7.919 291 H PHE 42 H PHE 42 5.299 23.249 -6.533 292 HA PHE 42 HA PHE 42 5.555 22.096 -9.110 293 HB2 PHE 42 1HB PHE 42 4.805 20.768 -7.448 294 HB3 PHE 42 2HB PHE 42 3.586 21.796 -7.098 295 HD1 PHE 42 HD1 PHE 42 4.532 20.517 -10.371 296 HD2 PHE 42 HD2 PHE 42 1.570 20.496 -7.394 297 HE1 PHE 42 HE1 PHE 42 3.022 19.267 -11.786 298 HE2 PHE 42 HE2 PHE 42 0.122 19.276 -8.809 299 HZ PHE 42 HZ PHE 42 0.909 18.675 -11.039 300 H SER 43 H SER 43 4.783 22.835 -11.016 301 HA SER 43 HA SER 43 2.505 24.601 -10.938 302 HB2 SER 43 1HB SER 43 4.378 25.608 -12.004 303 HB3 SER 43 2HB SER 43 4.478 24.356 -13.047 304 HG SER 43 HG SER 43 3.375 25.735 -14.203 305 H ASN 44 H ASN 44 0.650 23.562 -11.203 306 HA ASN 44 HA ASN 44 0.578 21.033 -12.269 307 HB2 ASN 44 1HB ASN 44 -1.041 21.960 -10.649 308 HB3 ASN 44 2HB ASN 44 -1.756 22.734 -11.897 309 HD21 ASN 44 1HD2 ASN 44 -4.001 20.123 -12.111 310 HD22 ASN 44 2HD2 ASN 44 -3.757 21.814 -11.831 311 H SER 45 H SER 45 0.556 23.918 -13.941 312 HA SER 45 HA SER 45 -0.966 23.065 -16.120 313 HB2 SER 45 1HB SER 45 0.154 24.954 -17.287 314 HB3 SER 45 2HB SER 45 -0.606 25.387 -15.908 315 HG SER 45 HG SER 45 1.292 25.426 -14.830 316 H CYS 46 H CYS 46 2.472 23.110 -15.511 317 HA CYS 46 HA CYS 46 2.956 21.760 -17.954 318 HB2 CYS 46 1HB CYS 46 5.253 22.181 -17.530 319 HB3 CYS 46 2HB CYS 46 4.376 23.550 -17.383 320 H LYS 47 H LYS 47 2.311 20.773 -14.958 321 HA LYS 47 HA LYS 47 2.614 18.855 -13.819 322 HB2 LYS 47 1HB LYS 47 3.103 17.754 -16.406 323 HB3 LYS 47 2HB LYS 47 3.284 16.810 -15.086 324 HG2 LYS 47 1HG LYS 47 1.141 16.490 -16.071 325 HG3 LYS 47 2HG LYS 47 0.991 17.084 -14.557 326 HD2 LYS 47 1HD LYS 47 0.539 19.185 -15.346 327 HD3 LYS 47 2HD LYS 47 0.939 18.756 -16.870 328 HE2 LYS 47 1HE LYS 47 -0.982 17.431 -17.029 329 HE3 LYS 47 2HE LYS 47 -1.365 17.766 -15.477 330 HZ1 LYS 47 1HZ LYS 47 -2.563 19.225 -16.946 331 HZ2 LYS 47 2HZ LYS 47 -1.165 19.752 -17.566 332 HZ3 LYS 47 3HZ LYS 47 -1.544 20.083 -16.029 333 H CYS 48 H CYS 48 4.617 20.776 -13.816 334 HA CYS 48 HA CYS 48 6.986 19.239 -13.400 335 HB2 CYS 48 1HB CYS 48 8.272 20.345 -14.848 336 HB3 CYS 48 2HB CYS 48 6.890 20.077 -15.675 337 H CYS 49 H CYS 49 8.812 20.564 -12.424 338 HA CYS 49 HA CYS 49 7.648 22.332 -10.485 339 HB2 CYS 49 1HB CYS 49 9.685 20.563 -10.456 340 HB3 CYS 49 2HB CYS 49 10.287 22.032 -10.075 341 H THR 50 H THR 50 7.956 24.531 -10.495 342 HA THR 50 HA THR 50 9.828 25.507 -12.435 343 HB THR 50 HB THR 50 8.226 27.406 -12.806 344 HG1 THR 50 HG1 THR 50 6.030 26.733 -12.063 345 HG21 THR 50 1HG2 THR 50 6.664 26.175 -14.131 346 HG22 THR 50 2HG2 THR 50 7.082 24.804 -13.381 347 HG23 THR 50 3HG2 THR 50 8.138 25.548 -14.354 348 H TRP 51 H TRP 51 10.901 27.547 -12.003 349 HA TRP 51 HA TRP 51 11.233 28.129 -9.282 350 HB2 TRP 51 1HB TRP 51 12.921 28.553 -10.963 351 HB3 TRP 51 2HB TRP 51 12.012 29.797 -11.504 352 HD1 TRP 51 HD1 TRP 51 13.645 28.835 -8.278 353 HE1 TRP 51 HE1 TRP 51 14.479 30.832 -7.011 354 HE3 TRP 51 HE3 TRP 51 12.013 32.311 -11.473 355 HZ2 TRP 51 HZ2 TRP 51 14.362 33.622 -7.424 356 HZ3 TRP 51 HZ3 TRP 51 12.437 34.646 -10.984 357 HH2 TRP 51 HH2 TRP 51 13.590 35.283 -8.960 358 H ASN 52 H ASN 52 10.397 29.917 -8.046 359 HA ASN 52 HA ASN 52 7.918 30.802 -9.011 360 HB2 ASN 52 1HB ASN 52 8.157 30.350 -6.681 361 HB3 ASN 52 2HB ASN 52 9.241 31.564 -6.548 362 HD21 ASN 52 1HD2 ASN 52 6.680 33.575 -5.400 363 HD22 ASN 52 2HD2 ASN 52 8.168 32.774 -5.020 364 H GLY 53 H GLY 53 8.438 32.013 -10.884 365 HA2 GLY 53 1HA GLY 53 9.938 34.414 -10.501 366 HA3 GLY 53 2HA GLY 53 9.403 33.826 -11.928 367 H LEU 54 H LEU 54 7.378 34.292 -9.166 368 HA LEU 54 HA LEU 54 5.595 35.843 -10.667 369 HB2 LEU 54 1HB LEU 54 4.834 34.400 -8.960 370 HB3 LEU 54 2HB LEU 54 5.573 35.332 -7.841 371 HG LEU 54 HG LEU 54 4.001 36.977 -8.014 372 HD11 LEU 54 1HD1 LEU 54 2.305 37.151 -9.672 373 HD12 LEU 54 2HD1 LEU 54 2.897 35.853 -10.436 374 HD13 LEU 54 3HD1 LEU 54 3.763 37.217 -10.369 375 HD21 LEU 54 1HD2 LEU 54 1.954 35.709 -7.670 376 HD22 LEU 54 2HD2 LEU 54 3.191 34.971 -6.935 377 HD23 LEU 54 3HD2 LEU 54 2.652 34.422 -8.357 378 H VAL 55 H VAL 55 6.127 37.867 -11.303 379 HA VAL 55 HA VAL 55 7.644 39.544 -9.618 380 HB VAL 55 HB VAL 55 6.317 40.241 -12.110 381 HG11 VAL 55 1HG1 VAL 55 7.762 42.159 -12.195 382 HG12 VAL 55 2HG1 VAL 55 8.375 41.768 -10.751 383 HG13 VAL 55 3HG1 VAL 55 6.830 42.228 -10.876 384 HG21 VAL 55 1HG2 VAL 55 8.490 39.936 -13.146 385 HG22 VAL 55 2HG2 VAL 55 8.012 38.551 -12.462 386 HG23 VAL 55 3HG2 VAL 55 9.107 39.482 -11.722 387 HA PRO 56 HA PRO 56 3.918 40.924 -7.744 388 HB2 PRO 56 1HB PRO 56 4.834 42.113 -5.559 389 HB3 PRO 56 2HB PRO 56 5.107 40.509 -5.692 390 HG2 PRO 56 1HG PRO 56 6.881 42.641 -6.356 391 HG3 PRO 56 2HG PRO 56 7.204 41.318 -5.454 392 HD2 PRO 56 1HD PRO 56 7.825 41.409 -8.017 393 HD3 PRO 56 2HD PRO 56 7.465 39.994 -7.285 394 H ARG 57 H ARG 57 5.696 42.742 -9.531 395 HA ARG 57 HA ARG 57 4.278 45.155 -8.875 396 HB2 ARG 57 1HB ARG 57 6.949 44.892 -9.973 397 HB3 ARG 57 2HB ARG 57 6.186 46.334 -9.904 398 HG2 ARG 57 1HG ARG 57 6.739 44.831 -7.536 399 HG3 ARG 57 2HG ARG 57 7.820 45.894 -8.142 400 HD2 ARG 57 1HD ARG 57 6.800 47.342 -6.823 401 HD3 ARG 57 2HD ARG 57 5.691 47.402 -8.021 402 HE ARG 57 HE ARG 57 5.404 45.859 -5.589 403 HH11 ARG 57 1HH1 ARG 57 3.838 47.477 -8.311 404 HH12 ARG 57 2HH1 ARG 57 2.257 47.211 -7.655 405 HH21 ARG 57 1HH2 ARG 57 3.362 45.587 -4.829 406 HH22 ARG 57 2HH2 ARG 57 1.995 46.163 -5.724 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 1.503 -5.419 -2.844 2 H2 GLY 1 2H GLY 1 0.971 -3.938 -3.217 3 H3 GLY 1 3H GLY 1 2.376 -4.120 -2.437 4 HA2 GLY 1 1HA GLY 1 3.292 -5.169 -4.315 5 HA3 GLY 1 2HA GLY 1 1.873 -4.985 -5.102 6 H SER 2 H SER 2 3.428 -3.967 -6.714 7 HA SER 2 HA SER 2 4.441 -1.452 -6.105 8 HB2 SER 2 1HB SER 2 5.148 -2.623 -8.089 9 HB3 SER 2 2HB SER 2 3.660 -2.437 -8.736 10 HG SER 2 HG SER 2 4.808 -0.862 -9.636 11 HA PRO 3 HA PRO 3 0.785 0.804 -6.093 12 HB2 PRO 3 1HB PRO 3 2.285 3.203 -6.823 13 HB3 PRO 3 2HB PRO 3 1.362 3.029 -5.487 14 HG2 PRO 3 1HG PRO 3 3.844 3.066 -5.248 15 HG3 PRO 3 2HG PRO 3 2.980 2.003 -4.359 16 HD2 PRO 3 1HD PRO 3 4.453 1.466 -6.765 17 HD3 PRO 3 2HD PRO 3 4.439 0.582 -5.392 18 H THR 4 H THR 4 -0.761 0.559 -7.440 19 HA THR 4 HA THR 4 -0.331 0.923 -10.178 20 HB THR 4 HB THR 4 -2.800 0.519 -10.296 21 HG1 THR 4 HG1 THR 4 -3.925 0.463 -8.548 22 HG21 THR 4 1HG2 THR 4 -2.612 -1.801 -9.640 23 HG22 THR 4 2HG2 THR 4 -1.265 -1.470 -8.809 24 HG23 THR 4 3HG2 THR 4 -1.262 -1.378 -10.423 25 H PHE 5 H PHE 5 -0.775 3.002 -7.776 26 HA PHE 5 HA PHE 5 -2.370 5.015 -8.722 27 HB2 PHE 5 1HB PHE 5 -1.402 4.962 -6.541 28 HB3 PHE 5 2HB PHE 5 0.091 5.117 -7.184 29 HD1 PHE 5 HD1 PHE 5 0.954 7.265 -7.865 30 HD2 PHE 5 HD2 PHE 5 -2.888 6.937 -6.326 31 HE1 PHE 5 HE1 PHE 5 0.915 9.626 -7.499 32 HE2 PHE 5 HE2 PHE 5 -2.892 9.308 -5.858 33 HZ PHE 5 HZ PHE 5 -0.971 10.654 -6.473 34 H CYS 6 H CYS 6 0.797 4.147 -9.726 35 HA CYS 6 HA CYS 6 0.780 6.383 -11.506 36 HB2 CYS 6 1HB CYS 6 2.634 6.290 -9.991 37 HB3 CYS 6 2HB CYS 6 3.041 4.829 -10.597 38 H GLN 7 H GLN 7 0.621 3.072 -11.472 39 HA GLN 7 HA GLN 7 1.651 2.570 -14.029 40 HB2 GLN 7 1HB GLN 7 -0.224 1.120 -12.438 41 HB3 GLN 7 2HB GLN 7 0.348 0.556 -13.860 42 HG2 GLN 7 1HG GLN 7 2.549 0.518 -12.956 43 HG3 GLN 7 2HG GLN 7 1.971 1.073 -11.533 44 HE21 GLN 7 1HE2 GLN 7 1.872 -2.150 -10.337 45 HE22 GLN 7 2HE2 GLN 7 2.482 -0.539 -10.152 46 H GLY 8 H GLY 8 0.959 3.110 -15.986 47 HA2 GLY 8 1HA GLY 8 -0.622 3.436 -17.596 48 HA3 GLY 8 2HA GLY 8 -1.822 3.363 -16.490 49 H LYS 9 H LYS 9 0.532 5.470 -15.521 50 HA LYS 9 HA LYS 9 -1.019 7.739 -16.422 51 HB2 LYS 9 1HB LYS 9 0.505 7.319 -14.067 52 HB3 LYS 9 2HB LYS 9 0.503 8.844 -14.653 53 HG2 LYS 9 1HG LYS 9 -1.158 8.773 -13.143 54 HG3 LYS 9 2HG LYS 9 -1.888 8.750 -14.603 55 HD2 LYS 9 1HD LYS 9 -2.354 6.476 -14.420 56 HD3 LYS 9 2HD LYS 9 -1.398 6.331 -13.104 57 HE2 LYS 9 1HE LYS 9 -3.636 6.334 -12.392 58 HE3 LYS 9 2HE LYS 9 -2.939 7.721 -11.884 59 HZ1 LYS 9 1HZ LYS 9 -5.070 8.170 -12.816 60 HZ2 LYS 9 2HZ LYS 9 -4.612 7.500 -14.214 61 HZ3 LYS 9 3HZ LYS 9 -3.922 8.874 -13.712 62 H ALA 10 H ALA 10 -0.042 9.528 -17.403 63 HA ALA 10 HA ALA 10 2.330 8.953 -18.808 64 HB1 ALA 10 1HB ALA 10 0.750 10.441 -19.810 65 HB2 ALA 10 2HB ALA 10 2.154 11.223 -19.636 66 HB3 ALA 10 3HB ALA 10 0.941 11.498 -18.602 67 H ASP 11 H ASP 11 4.452 9.912 -18.476 68 HA ASP 11 HA ASP 11 5.078 10.196 -15.803 69 HB2 ASP 11 1HB ASP 11 6.606 10.673 -18.162 70 HB3 ASP 11 2HB ASP 11 7.213 11.171 -16.730 71 H GLY 12 H GLY 12 5.728 12.145 -14.606 72 HA2 GLY 12 1HA GLY 12 5.761 14.662 -15.075 73 HA3 GLY 12 2HA GLY 12 4.195 14.426 -15.476 74 H LEU 13 H LEU 13 4.278 16.177 -13.616 75 HA LEU 13 HA LEU 13 4.283 14.777 -11.128 76 HB2 LEU 13 1HB LEU 13 4.170 17.652 -11.520 77 HB3 LEU 13 2HB LEU 13 4.448 16.931 -10.082 78 HG LEU 13 HG LEU 13 6.273 17.164 -12.260 79 HD11 LEU 13 1HD1 LEU 13 7.594 18.353 -10.634 80 HD12 LEU 13 2HD1 LEU 13 6.432 18.122 -9.533 81 HD13 LEU 13 3HD1 LEU 13 6.154 19.064 -10.817 82 HD21 LEU 13 1HD2 LEU 13 7.888 15.938 -11.001 83 HD22 LEU 13 2HD2 LEU 13 6.624 14.997 -11.364 84 HD23 LEU 13 3HD2 LEU 13 6.772 15.615 -9.877 85 H TYR 14 H TYR 14 2.646 14.890 -9.521 86 HA TYR 14 HA TYR 14 0.178 16.072 -10.441 87 HB2 TYR 14 1HB TYR 14 0.279 13.468 -9.207 88 HB3 TYR 14 2HB TYR 14 -1.093 14.240 -9.640 89 HD1 TYR 14 HD1 TYR 14 1.710 12.420 -10.887 90 HD2 TYR 14 HD2 TYR 14 -1.769 14.366 -12.006 91 HE1 TYR 14 HE1 TYR 14 1.886 11.425 -13.083 92 HE2 TYR 14 HE2 TYR 14 -1.631 13.378 -14.209 93 HH TYR 14 HH TYR 14 0.265 10.824 -15.058 94 HA PRO 15 HA PRO 15 0.587 17.802 -6.525 95 HB2 PRO 15 1HB PRO 15 -1.823 18.790 -5.921 96 HB3 PRO 15 2HB PRO 15 -0.985 19.462 -7.151 97 HG2 PRO 15 1HG PRO 15 -3.019 17.524 -7.275 98 HG3 PRO 15 2HG PRO 15 -2.878 18.905 -8.135 99 HD2 PRO 15 1HD PRO 15 -2.098 16.638 -9.191 100 HD3 PRO 15 2HD PRO 15 -1.276 18.009 -9.525 101 H ASN 16 H ASN 16 0.603 17.528 -4.357 102 HA ASN 16 HA ASN 16 -0.741 15.165 -3.487 103 HB2 ASN 16 1HB ASN 16 1.613 15.505 -2.997 104 HB3 ASN 16 2HB ASN 16 1.161 16.674 -1.951 105 HD21 ASN 16 1HD2 ASN 16 1.563 13.125 -0.512 106 HD22 ASN 16 2HD2 ASN 16 2.408 13.847 -1.841 107 HA PRO 17 HA PRO 17 -3.534 18.008 -1.604 108 HB2 PRO 17 1HB PRO 17 -5.576 16.424 -0.979 109 HB3 PRO 17 2HB PRO 17 -5.262 16.634 -2.568 110 HG2 PRO 17 1HG PRO 17 -4.349 14.485 -0.891 111 HG3 PRO 17 2HG PRO 17 -5.116 14.355 -2.327 112 HD2 PRO 17 1HD PRO 17 -2.521 14.226 -2.217 113 HD3 PRO 17 2HD PRO 17 -3.251 14.917 -3.504 114 H ARG 18 H ARG 18 -2.053 15.556 0.061 115 HA ARG 18 HA ARG 18 -3.189 16.300 2.542 116 HB2 ARG 18 1HB ARG 18 -2.511 13.984 2.079 117 HB3 ARG 18 2HB ARG 18 -0.955 14.479 2.077 118 HG2 ARG 18 1HG ARG 18 -1.382 15.144 4.428 119 HG3 ARG 18 2HG ARG 18 -2.683 14.162 4.321 120 HD2 ARG 18 1HD ARG 18 -1.118 12.408 3.593 121 HD3 ARG 18 2HD ARG 18 0.077 13.400 4.099 122 HE ARG 18 HE ARG 18 -1.694 11.885 5.745 123 HH11 ARG 18 1HH1 ARG 18 -1.208 11.679 7.870 124 HH12 ARG 18 2HH1 ARG 18 -0.028 12.700 8.622 125 HH21 ARG 18 1HH2 ARG 18 0.784 14.434 5.814 126 HH22 ARG 18 2HH2 ARG 18 1.054 14.197 7.508 127 H GLU 19 H GLU 19 -0.172 16.586 0.916 128 HA GLU 19 HA GLU 19 0.945 18.005 3.123 129 HB2 GLU 19 1HB GLU 19 2.213 16.993 0.745 130 HB3 GLU 19 2HB GLU 19 3.039 17.771 1.919 131 HG2 GLU 19 1HG GLU 19 1.695 15.248 2.249 132 HG3 GLU 19 2HG GLU 19 3.314 15.441 2.159 133 H ARG 20 H ARG 20 2.199 19.978 2.911 134 HA ARG 20 HA ARG 20 0.788 21.775 1.389 135 HB2 ARG 20 1HB ARG 20 1.993 22.297 3.550 136 HB3 ARG 20 2HB ARG 20 3.393 22.267 2.710 137 HG2 ARG 20 1HG ARG 20 2.938 24.450 2.994 138 HG3 ARG 20 2HG ARG 20 2.509 24.145 1.448 139 HD2 ARG 20 1HD ARG 20 0.258 23.956 2.099 140 HD3 ARG 20 2HD ARG 20 0.677 24.229 3.654 141 HE ARG 20 HE ARG 20 1.517 26.388 2.108 142 HH11 ARG 20 1HH1 ARG 20 -1.402 24.986 3.424 143 HH12 ARG 20 2HH1 ARG 20 -2.239 26.502 3.460 144 HH21 ARG 20 1HH2 ARG 20 0.393 28.310 2.120 145 HH22 ARG 20 2HH2 ARG 20 -1.228 28.374 2.725 146 H SER 21 H SER 21 3.942 20.517 0.914 147 HA SER 21 HA SER 21 4.149 21.982 -1.542 148 HB2 SER 21 1HB SER 21 6.401 21.690 0.331 149 HB3 SER 21 2HB SER 21 6.359 22.742 -0.917 150 HG SER 21 HG SER 21 5.158 24.089 0.146 151 H SER 22 H SER 22 3.720 19.132 -0.992 152 HA SER 22 HA SER 22 6.056 18.165 -2.389 153 HB2 SER 22 1HB SER 22 5.723 16.018 -1.531 154 HB3 SER 22 2HB SER 22 5.635 17.053 -0.270 155 HG SER 22 HG SER 22 3.297 17.004 -0.788 156 H PHE 23 H PHE 23 5.680 16.394 -3.968 157 HA PHE 23 HA PHE 23 3.071 16.531 -5.133 158 HB2 PHE 23 1HB PHE 23 4.189 16.467 -7.368 159 HB3 PHE 23 2HB PHE 23 4.330 17.895 -6.588 160 HD1 PHE 23 HD1 PHE 23 6.446 18.832 -6.209 161 HD2 PHE 23 HD2 PHE 23 6.116 14.837 -7.256 162 HE1 PHE 23 HE1 PHE 23 8.823 18.710 -6.461 163 HE2 PHE 23 HE2 PHE 23 8.524 14.703 -7.492 164 HZ PHE 23 HZ PHE 23 9.866 16.642 -7.120 165 H TYR 24 H TYR 24 2.603 14.758 -6.619 166 HA TYR 24 HA TYR 24 3.964 12.313 -5.940 167 HB2 TYR 24 1HB TYR 24 1.633 12.777 -7.535 168 HB3 TYR 24 2HB TYR 24 2.279 11.300 -7.270 169 HD1 TYR 24 HD1 TYR 24 2.478 10.606 -4.728 170 HD2 TYR 24 HD2 TYR 24 -0.128 13.512 -6.177 171 HE1 TYR 24 HE1 TYR 24 1.077 10.304 -2.795 172 HE2 TYR 24 HE2 TYR 24 -1.538 13.198 -4.240 173 HH TYR 24 HH TYR 24 -2.067 11.503 -2.509 174 H SER 25 H SER 25 5.231 11.307 -7.686 175 HA SER 25 HA SER 25 5.430 12.829 -10.123 176 HB2 SER 25 1HB SER 25 7.347 13.469 -8.853 177 HB3 SER 25 2HB SER 25 7.725 11.902 -8.591 178 HG SER 25 HG SER 25 9.020 12.545 -10.168 179 H CYS 26 H CYS 26 5.549 11.561 -11.979 180 HA CYS 26 HA CYS 26 5.706 8.722 -11.501 181 HB2 CYS 26 1HB CYS 26 4.180 10.251 -13.287 182 HB3 CYS 26 2HB CYS 26 4.724 8.823 -13.863 183 H ALA 27 H ALA 27 7.471 7.685 -12.249 184 HA ALA 27 HA ALA 27 8.899 8.800 -14.514 185 HB1 ALA 27 1HB ALA 27 10.159 9.456 -12.541 186 HB2 ALA 27 2HB ALA 27 11.024 8.377 -13.379 187 HB3 ALA 27 3HB ALA 27 10.222 7.915 -12.053 188 H ALA 28 H ALA 28 8.771 7.372 -16.135 189 HA ALA 28 HA ALA 28 8.519 5.411 -17.146 190 HB1 ALA 28 1HB ALA 28 10.845 5.060 -16.503 191 HB2 ALA 28 2HB ALA 28 10.092 3.629 -16.523 192 HB3 ALA 28 3HB ALA 28 10.371 4.377 -15.116 193 H GLY 29 H GLY 29 6.481 6.063 -15.332 194 HA2 GLY 29 1HA GLY 29 4.615 5.021 -14.658 195 HA3 GLY 29 2HA GLY 29 5.193 3.603 -15.227 196 H ARG 30 H ARG 30 7.226 4.981 -12.990 197 HA ARG 30 HA ARG 30 6.123 3.421 -10.797 198 HB2 ARG 30 1HB ARG 30 8.857 4.184 -11.187 199 HB3 ARG 30 2HB ARG 30 8.305 3.329 -9.910 200 HG2 ARG 30 1HG ARG 30 8.323 2.358 -12.621 201 HG3 ARG 30 2HG ARG 30 9.426 1.942 -11.491 202 HD2 ARG 30 1HD ARG 30 7.836 0.704 -10.312 203 HD3 ARG 30 2HD ARG 30 6.638 1.242 -11.282 204 HE ARG 30 HE ARG 30 8.574 -0.780 -11.932 205 HH11 ARG 30 1HH1 ARG 30 8.145 -2.039 -13.749 206 HH12 ARG 30 2HH1 ARG 30 6.847 -1.618 -14.815 207 HH21 ARG 30 1HH2 ARG 30 5.883 1.175 -13.075 208 HH22 ARG 30 2HH2 ARG 30 5.599 0.153 -14.445 209 H LEU 31 H LEU 31 6.048 4.312 -8.696 210 HA LEU 31 HA LEU 31 5.567 7.094 -8.908 211 HB2 LEU 31 1HB LEU 31 3.844 5.733 -7.909 212 HB3 LEU 31 2HB LEU 31 4.906 5.174 -6.801 213 HG LEU 31 HG LEU 31 4.892 7.330 -5.740 214 HD11 LEU 31 1HD1 LEU 31 3.305 8.958 -6.364 215 HD12 LEU 31 2HD1 LEU 31 2.851 8.052 -7.624 216 HD13 LEU 31 3HD1 LEU 31 4.335 8.692 -7.582 217 HD21 LEU 31 1HD2 LEU 31 2.662 7.099 -4.821 218 HD22 LEU 31 2HD2 LEU 31 3.327 5.634 -4.985 219 HD23 LEU 31 3HD2 LEU 31 2.243 6.156 -6.066 220 H PHE 32 H PHE 32 6.706 8.711 -8.099 221 HA PHE 32 HA PHE 32 8.402 8.178 -5.854 222 HB2 PHE 32 1HB PHE 32 8.820 10.069 -7.996 223 HB3 PHE 32 2HB PHE 32 9.615 10.235 -6.579 224 HD1 PHE 32 HD1 PHE 32 9.217 8.007 -9.398 225 HD2 PHE 32 HD2 PHE 32 11.564 9.026 -6.110 226 HE1 PHE 32 HE1 PHE 32 10.920 6.435 -10.154 227 HE2 PHE 32 HE2 PHE 32 13.279 7.477 -6.815 228 HZ PHE 32 HZ PHE 32 12.967 6.136 -8.830 229 H GLN 33 H GLN 33 8.013 9.425 -3.985 230 HA GLN 33 HA GLN 33 6.011 11.523 -4.236 231 HB2 GLN 33 1HB GLN 33 6.519 9.824 -1.975 232 HB3 GLN 33 2HB GLN 33 5.480 11.084 -1.950 233 HG2 GLN 33 1HG GLN 33 4.081 9.983 -3.509 234 HG3 GLN 33 2HG GLN 33 5.133 8.736 -3.591 235 HE21 GLN 33 1HE2 GLN 33 2.270 7.944 -1.313 236 HE22 GLN 33 2HE2 GLN 33 2.345 8.580 -2.923 237 H GLN 34 H GLN 34 7.081 13.503 -4.193 238 HA GLN 34 HA GLN 34 9.416 13.697 -2.543 239 HB2 GLN 34 1HB GLN 34 9.291 13.939 -5.414 240 HB3 GLN 34 2HB GLN 34 10.384 14.870 -4.637 241 HG2 GLN 34 1HG GLN 34 10.649 12.237 -3.876 242 HG3 GLN 34 2HG GLN 34 10.785 12.385 -5.496 243 HE21 GLN 34 1HE2 GLN 34 13.849 14.050 -5.479 244 HE22 GLN 34 2HE2 GLN 34 12.461 13.642 -6.430 245 H SER 35 H SER 35 10.311 15.938 -2.401 246 HA SER 35 HA SER 35 8.102 17.758 -2.365 247 HB2 SER 35 1HB SER 35 9.604 19.001 -0.775 248 HB3 SER 35 2HB SER 35 9.238 17.502 -0.241 249 HG SER 35 HG SER 35 11.183 16.738 -0.890 250 H CYS 36 H CYS 36 8.374 20.030 -2.877 251 HA CYS 36 HA CYS 36 10.700 20.593 -4.539 252 HB2 CYS 36 1HB CYS 36 8.109 20.884 -5.221 253 HB3 CYS 36 2HB CYS 36 8.767 22.374 -5.100 254 HA PRO 37 HA PRO 37 10.642 23.332 -0.965 255 HB2 PRO 37 1HB PRO 37 13.031 22.939 0.025 256 HB3 PRO 37 2HB PRO 37 11.962 21.708 0.123 257 HG2 PRO 37 1HG PRO 37 14.157 21.979 -1.729 258 HG3 PRO 37 2HG PRO 37 13.561 20.596 -1.096 259 HD2 PRO 37 1HD PRO 37 12.943 21.595 -3.564 260 HD3 PRO 37 2HD PRO 37 12.213 20.317 -2.855 261 H THR 38 H THR 38 13.740 24.188 -0.845 262 HA THR 38 HA THR 38 13.153 26.723 -1.629 263 HB THR 38 HB THR 38 15.800 26.816 -1.632 264 HG1 THR 38 HG1 THR 38 15.116 24.316 -0.771 265 HG21 THR 38 1HG2 THR 38 15.780 27.031 0.760 266 HG22 THR 38 2HG2 THR 38 14.331 26.317 0.828 267 HG23 THR 38 3HG2 THR 38 14.479 27.785 0.166 268 H GLY 39 H GLY 39 13.564 28.018 -3.413 269 HA2 GLY 39 1HA GLY 39 14.446 28.489 -5.413 270 HA3 GLY 39 2HA GLY 39 15.246 27.066 -5.429 271 H LEU 40 H LEU 40 12.211 26.108 -5.018 272 HA LEU 40 HA LEU 40 11.735 25.990 -7.849 273 HB2 LEU 40 1HB LEU 40 11.605 23.692 -6.069 274 HB3 LEU 40 2HB LEU 40 11.224 23.624 -7.656 275 HG LEU 40 HG LEU 40 13.868 24.112 -6.690 276 HD11 LEU 40 1HD1 LEU 40 14.325 21.798 -7.265 277 HD12 LEU 40 2HD1 LEU 40 12.764 21.592 -7.635 278 HD13 LEU 40 3HD1 LEU 40 13.201 21.883 -6.105 279 HD21 LEU 40 1HD2 LEU 40 14.612 23.654 -8.942 280 HD22 LEU 40 2HD2 LEU 40 13.626 24.936 -8.924 281 HD23 LEU 40 3HD2 LEU 40 13.075 23.498 -9.419 282 H VAL 41 H VAL 41 9.640 25.925 -8.625 283 HA VAL 41 HA VAL 41 7.579 25.903 -6.603 284 HB VAL 41 HB VAL 41 6.412 27.736 -7.826 285 HG11 VAL 41 1HG1 VAL 41 7.702 29.507 -6.872 286 HG12 VAL 41 2HG1 VAL 41 8.945 28.497 -6.652 287 HG13 VAL 41 3HG1 VAL 41 7.576 28.289 -5.817 288 HG21 VAL 41 1HG2 VAL 41 7.672 29.072 -9.349 289 HG22 VAL 41 2HG2 VAL 41 7.537 27.566 -9.920 290 HG23 VAL 41 3HG2 VAL 41 8.919 28.049 -9.233 291 H PHE 42 H PHE 42 5.496 25.073 -7.259 292 HA PHE 42 HA PHE 42 5.785 23.326 -9.454 293 HB2 PHE 42 1HB PHE 42 4.800 22.374 -7.477 294 HB3 PHE 42 2HB PHE 42 3.617 23.500 -7.496 295 HD1 PHE 42 HD1 PHE 42 4.857 21.146 -9.975 296 HD2 PHE 42 HD2 PHE 42 1.512 22.536 -7.963 297 HE1 PHE 42 HE1 PHE 42 3.488 19.682 -11.287 298 HE2 PHE 42 HE2 PHE 42 0.102 21.012 -9.224 299 HZ PHE 42 HZ PHE 42 1.092 19.611 -10.921 300 H SER 43 H SER 43 4.820 23.361 -11.409 301 HA SER 43 HA SER 43 2.892 25.442 -11.810 302 HB2 SER 43 1HB SER 43 4.902 25.796 -13.127 303 HB3 SER 43 2HB SER 43 4.699 24.334 -13.826 304 HG SER 43 HG SER 43 3.960 25.785 -15.229 305 H ASN 44 H ASN 44 0.938 24.574 -11.617 306 HA ASN 44 HA ASN 44 0.412 21.979 -12.303 307 HB2 ASN 44 1HB ASN 44 -0.923 23.823 -10.932 308 HB3 ASN 44 2HB ASN 44 -1.832 23.794 -12.289 309 HD21 ASN 44 1HD2 ASN 44 -3.060 21.405 -9.648 310 HD22 ASN 44 2HD2 ASN 44 -2.477 23.032 -9.527 311 H SER 45 H SER 45 0.343 24.710 -14.328 312 HA SER 45 HA SER 45 -1.448 23.724 -16.185 313 HB2 SER 45 1HB SER 45 -0.448 25.472 -17.678 314 HB3 SER 45 2HB SER 45 -0.984 26.050 -16.248 315 HG SER 45 HG SER 45 1.550 25.157 -16.277 316 H CYS 46 H CYS 46 1.994 23.381 -15.945 317 HA CYS 46 HA CYS 46 1.959 21.775 -18.334 318 HB2 CYS 46 1HB CYS 46 4.197 22.112 -18.541 319 HB3 CYS 46 2HB CYS 46 3.567 23.558 -18.116 320 H LYS 47 H LYS 47 1.752 21.439 -15.185 321 HA LYS 47 HA LYS 47 2.108 19.905 -13.701 322 HB2 LYS 47 1HB LYS 47 2.171 17.975 -15.871 323 HB3 LYS 47 2HB LYS 47 1.993 17.544 -14.306 324 HG2 LYS 47 1HG LYS 47 0.033 19.135 -15.687 325 HG3 LYS 47 2HG LYS 47 -0.063 17.507 -15.599 326 HD2 LYS 47 1HD LYS 47 -0.137 17.688 -13.200 327 HD3 LYS 47 2HD LYS 47 -0.173 19.313 -13.356 328 HE2 LYS 47 1HE LYS 47 -2.225 17.544 -14.317 329 HE3 LYS 47 2HE LYS 47 -2.345 18.460 -12.970 330 HZ1 LYS 47 1HZ LYS 47 -3.454 19.522 -14.782 331 HZ2 LYS 47 2HZ LYS 47 -2.082 19.518 -15.637 332 HZ3 LYS 47 3HZ LYS 47 -2.201 20.425 -14.303 333 H CYS 48 H CYS 48 4.286 21.260 -14.117 334 HA CYS 48 HA CYS 48 6.387 19.367 -13.681 335 HB2 CYS 48 1HB CYS 48 7.277 21.819 -14.682 336 HB3 CYS 48 2HB CYS 48 7.775 20.318 -15.088 337 H CYS 49 H CYS 49 8.335 20.267 -12.436 338 HA CYS 49 HA CYS 49 7.563 22.444 -10.670 339 HB2 CYS 49 1HB CYS 49 8.965 20.209 -10.160 340 HB3 CYS 49 2HB CYS 49 9.952 21.490 -9.932 341 H THR 50 H THR 50 8.633 24.422 -11.004 342 HA THR 50 HA THR 50 10.662 24.394 -13.032 343 HB THR 50 HB THR 50 9.770 26.609 -13.769 344 HG1 THR 50 HG1 THR 50 7.553 26.870 -12.802 345 HG21 THR 50 1HG2 THR 50 7.707 25.778 -14.746 346 HG22 THR 50 2HG2 THR 50 7.683 24.549 -13.697 347 HG23 THR 50 3HG2 THR 50 8.812 24.603 -14.852 348 H TRP 51 H TRP 51 12.250 26.113 -13.079 349 HA TRP 51 HA TRP 51 13.302 26.605 -10.532 350 HB2 TRP 51 1HB TRP 51 14.593 26.408 -12.618 351 HB3 TRP 51 2HB TRP 51 13.998 27.858 -13.075 352 HD1 TRP 51 HD1 TRP 51 14.821 29.971 -11.571 353 HE1 TRP 51 HE1 TRP 51 17.044 30.463 -10.494 354 HE3 TRP 51 HE3 TRP 51 16.610 25.299 -11.635 355 HZ2 TRP 51 HZ2 TRP 51 19.289 28.896 -9.778 356 HZ3 TRP 51 HZ3 TRP 51 18.832 24.878 -10.814 357 HH2 TRP 51 HH2 TRP 51 20.175 26.681 -9.905 358 H ASN 52 H ASN 52 13.196 28.373 -9.159 359 HA ASN 52 HA ASN 52 11.300 30.346 -9.975 360 HB2 ASN 52 1HB ASN 52 11.027 29.225 -7.841 361 HB3 ASN 52 2HB ASN 52 12.395 29.954 -7.328 362 HD21 ASN 52 1HD2 ASN 52 10.448 32.441 -5.889 363 HD22 ASN 52 2HD2 ASN 52 11.585 31.161 -5.627 364 H GLY 53 H GLY 53 12.182 32.071 -11.069 365 HA2 GLY 53 1HA GLY 53 13.945 33.770 -9.716 366 HA3 GLY 53 2HA GLY 53 14.765 32.913 -10.839 367 H LEU 54 H LEU 54 12.685 32.863 -12.821 368 HA LEU 54 HA LEU 54 13.138 35.395 -13.938 369 HB2 LEU 54 1HB LEU 54 12.574 32.991 -14.930 370 HB3 LEU 54 2HB LEU 54 11.174 33.793 -15.184 371 HG LEU 54 HG LEU 54 13.527 35.030 -16.160 372 HD11 LEU 54 1HD1 LEU 54 13.515 33.660 -18.168 373 HD12 LEU 54 2HD1 LEU 54 12.358 32.730 -17.527 374 HD13 LEU 54 3HD1 LEU 54 13.840 32.737 -16.880 375 HD21 LEU 54 1HD2 LEU 54 12.071 35.733 -17.926 376 HD22 LEU 54 2HD2 LEU 54 11.438 36.126 -16.490 377 HD23 LEU 54 3HD2 LEU 54 10.874 34.844 -17.299 378 H VAL 55 H VAL 55 12.039 37.226 -13.795 379 HA VAL 55 HA VAL 55 9.256 36.981 -13.166 380 HB VAL 55 HB VAL 55 10.805 39.157 -12.035 381 HG11 VAL 55 1HG1 VAL 55 8.984 39.399 -10.464 382 HG12 VAL 55 2HG1 VAL 55 8.210 38.170 -11.175 383 HG13 VAL 55 3HG1 VAL 55 8.439 39.554 -11.979 384 HG21 VAL 55 1HG2 VAL 55 10.923 37.967 -9.931 385 HG22 VAL 55 2HG2 VAL 55 11.717 37.151 -11.080 386 HG23 VAL 55 3HG2 VAL 55 10.239 36.677 -10.627 387 HA PRO 56 HA PRO 56 9.274 39.629 -16.714 388 HB2 PRO 56 1HB PRO 56 6.814 39.245 -17.645 389 HB3 PRO 56 2HB PRO 56 7.802 37.944 -17.623 390 HG2 PRO 56 1HG PRO 56 5.859 38.687 -15.672 391 HG3 PRO 56 2HG PRO 56 6.043 37.232 -16.392 392 HD2 PRO 56 1HD PRO 56 7.115 37.705 -14.025 393 HD3 PRO 56 2HD PRO 56 7.834 36.678 -15.072 394 H ARG 57 H ARG 57 7.760 40.278 -13.985 395 HA ARG 57 HA ARG 57 6.968 42.942 -14.799 396 HB2 ARG 57 1HB ARG 57 5.258 42.834 -13.091 397 HB3 ARG 57 2HB ARG 57 4.978 41.830 -14.348 398 HG2 ARG 57 1HG ARG 57 4.405 40.553 -12.575 399 HG3 ARG 57 2HG ARG 57 5.930 40.053 -12.878 400 HD2 ARG 57 1HD ARG 57 6.707 41.495 -11.084 401 HD3 ARG 57 2HD ARG 57 5.150 41.848 -10.739 402 HE ARG 57 HE ARG 57 5.732 39.060 -10.742 403 HH11 ARG 57 1HH1 ARG 57 5.624 37.905 -8.864 404 HH12 ARG 57 2HH1 ARG 57 5.417 38.721 -7.351 405 HH21 ARG 57 1HH2 ARG 57 5.495 41.886 -8.696 406 HH22 ARG 57 2HH2 ARG 57 5.344 40.926 -7.262 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 -4.315 -7.237 -2.606 2 H2 GLY 1 2H GLY 1 -3.265 -6.095 -2.150 3 H3 GLY 1 3H GLY 1 -2.833 -7.198 -3.250 4 HA2 GLY 1 1HA GLY 1 -4.407 -6.309 -4.772 5 HA3 GLY 1 2HA GLY 1 -4.843 -5.195 -3.661 6 H SER 2 H SER 2 -4.292 -3.769 -5.629 7 HA SER 2 HA SER 2 -1.550 -2.908 -5.271 8 HB2 SER 2 1HB SER 2 -1.459 -4.054 -7.338 9 HB3 SER 2 2HB SER 2 -2.787 -3.270 -7.874 10 HG SER 2 HG SER 2 -0.292 -2.540 -8.059 11 HA PRO 3 HA PRO 3 -3.918 0.743 -5.015 12 HB2 PRO 3 1HB PRO 3 -2.109 2.701 -4.956 13 HB3 PRO 3 2HB PRO 3 -2.156 1.667 -3.693 14 HG2 PRO 3 1HG PRO 3 -0.434 1.560 -5.969 15 HG3 PRO 3 2HG PRO 3 -0.012 1.457 -4.394 16 HD2 PRO 3 1HD PRO 3 -0.318 -0.718 -5.807 17 HD3 PRO 3 2HD PRO 3 -0.727 -0.710 -4.226 18 H THR 4 H THR 4 -2.081 0.134 -7.688 19 HA THR 4 HA THR 4 -2.018 0.972 -9.696 20 HB THR 4 HB THR 4 -4.235 1.300 -10.830 21 HG1 THR 4 HG1 THR 4 -6.012 1.532 -9.749 22 HG21 THR 4 1HG2 THR 4 -5.088 -0.902 -10.343 23 HG22 THR 4 2HG2 THR 4 -4.191 -0.968 -8.998 24 HG23 THR 4 3HG2 THR 4 -3.477 -0.991 -10.449 25 H PHE 5 H PHE 5 -1.445 2.980 -7.808 26 HA PHE 5 HA PHE 5 -2.764 5.321 -8.408 27 HB2 PHE 5 1HB PHE 5 -1.489 4.871 -6.368 28 HB3 PHE 5 2HB PHE 5 -0.115 5.042 -7.234 29 HD1 PHE 5 HD1 PHE 5 0.757 7.230 -7.793 30 HD2 PHE 5 HD2 PHE 5 -2.863 6.832 -5.787 31 HE1 PHE 5 HE1 PHE 5 0.889 9.540 -7.122 32 HE2 PHE 5 HE2 PHE 5 -2.801 9.171 -5.208 33 HZ PHE 5 HZ PHE 5 -0.915 10.522 -5.862 34 H CYS 6 H CYS 6 0.323 4.228 -9.545 35 HA CYS 6 HA CYS 6 0.307 6.385 -11.453 36 HB2 CYS 6 1HB CYS 6 2.255 5.431 -9.831 37 HB3 CYS 6 2HB CYS 6 2.734 5.143 -11.365 38 H GLN 7 H GLN 7 -0.299 3.226 -11.244 39 HA GLN 7 HA GLN 7 1.055 2.226 -13.476 40 HB2 GLN 7 1HB GLN 7 -1.009 1.307 -11.744 41 HB3 GLN 7 2HB GLN 7 -0.673 0.443 -13.089 42 HG2 GLN 7 1HG GLN 7 1.344 -0.212 -12.318 43 HG3 GLN 7 2HG GLN 7 1.483 1.074 -11.322 44 HE21 GLN 7 1HE2 GLN 7 0.995 -1.125 -8.694 45 HE22 GLN 7 2HE2 GLN 7 2.135 -0.139 -9.548 46 H GLY 8 H GLY 8 0.694 2.493 -15.582 47 HA2 GLY 8 1HA GLY 8 -0.598 2.733 -17.440 48 HA3 GLY 8 2HA GLY 8 -1.959 2.673 -16.539 49 H LYS 9 H LYS 9 0.380 4.949 -15.620 50 HA LYS 9 HA LYS 9 -1.205 7.067 -16.791 51 HB2 LYS 9 1HB LYS 9 -0.025 6.986 -14.176 52 HB3 LYS 9 2HB LYS 9 -0.574 8.380 -14.827 53 HG2 LYS 9 1HG LYS 9 -2.736 7.309 -15.072 54 HG3 LYS 9 2HG LYS 9 -2.149 6.065 -14.191 55 HD2 LYS 9 1HD LYS 9 -1.623 7.650 -12.500 56 HD3 LYS 9 2HD LYS 9 -2.481 8.742 -13.359 57 HE2 LYS 9 1HE LYS 9 -4.441 7.450 -13.124 58 HE3 LYS 9 2HE LYS 9 -3.602 6.260 -12.385 59 HZ1 LYS 9 1HZ LYS 9 -4.770 7.550 -10.783 60 HZ2 LYS 9 2HZ LYS 9 -4.007 8.884 -11.287 61 HZ3 LYS 9 3HZ LYS 9 -3.176 7.705 -10.556 62 H ALA 10 H ALA 10 -0.250 8.983 -17.503 63 HA ALA 10 HA ALA 10 2.244 8.552 -18.657 64 HB1 ALA 10 1HB ALA 10 0.603 9.989 -19.723 65 HB2 ALA 10 2HB ALA 10 1.973 10.823 -19.520 66 HB3 ALA 10 3HB ALA 10 0.731 11.051 -18.511 67 H ASP 11 H ASP 11 4.234 9.686 -18.392 68 HA ASP 11 HA ASP 11 4.901 10.089 -15.725 69 HB2 ASP 11 1HB ASP 11 6.377 10.498 -18.159 70 HB3 ASP 11 2HB ASP 11 7.043 10.908 -16.725 71 H GLY 12 H GLY 12 5.568 11.978 -14.580 72 HA2 GLY 12 1HA GLY 12 5.709 14.494 -15.162 73 HA3 GLY 12 2HA GLY 12 4.113 14.301 -15.451 74 H LEU 13 H LEU 13 4.374 16.110 -13.570 75 HA LEU 13 HA LEU 13 4.427 14.716 -11.075 76 HB2 LEU 13 1HB LEU 13 4.421 17.562 -11.535 77 HB3 LEU 13 2HB LEU 13 4.463 16.904 -10.041 78 HG LEU 13 HG LEU 13 6.589 16.859 -11.964 79 HD11 LEU 13 1HD1 LEU 13 7.747 18.165 -10.262 80 HD12 LEU 13 2HD1 LEU 13 6.435 18.087 -9.320 81 HD13 LEU 13 3HD1 LEU 13 6.388 18.923 -10.703 82 HD21 LEU 13 1HD2 LEU 13 7.930 15.697 -10.387 83 HD22 LEU 13 2HD2 LEU 13 6.666 14.792 -10.831 84 HD23 LEU 13 3HD2 LEU 13 6.656 15.550 -9.403 85 H TYR 14 H TYR 14 2.755 14.704 -9.528 86 HA TYR 14 HA TYR 14 0.211 15.659 -10.516 87 HB2 TYR 14 1HB TYR 14 0.744 13.088 -9.312 88 HB3 TYR 14 2HB TYR 14 -0.776 13.655 -9.494 89 HD1 TYR 14 HD1 TYR 14 2.055 12.393 -11.244 90 HD2 TYR 14 HD2 TYR 14 -1.892 13.595 -11.673 91 HE1 TYR 14 HE1 TYR 14 2.020 11.451 -13.468 92 HE2 TYR 14 HE2 TYR 14 -1.947 12.618 -13.892 93 HH TYR 14 HH TYR 14 -0.021 10.442 -15.042 94 HA PRO 15 HA PRO 15 0.001 17.605 -6.731 95 HB2 PRO 15 1HB PRO 15 -2.612 18.100 -6.350 96 HB3 PRO 15 2HB PRO 15 -1.842 18.857 -7.575 97 HG2 PRO 15 1HG PRO 15 -3.378 16.457 -7.704 98 HG3 PRO 15 2HG PRO 15 -3.511 17.778 -8.655 99 HD2 PRO 15 1HD PRO 15 -2.138 15.752 -9.498 100 HD3 PRO 15 2HD PRO 15 -1.612 17.261 -9.832 101 H ASN 16 H ASN 16 -0.133 17.602 -4.617 102 HA ASN 16 HA ASN 16 -0.533 15.039 -3.483 103 HB2 ASN 16 1HB ASN 16 0.569 15.935 -1.597 104 HB3 ASN 16 2HB ASN 16 1.353 16.502 -2.912 105 HD21 ASN 16 1HD2 ASN 16 1.061 19.778 -1.970 106 HD22 ASN 16 2HD2 ASN 16 1.937 18.558 -2.833 107 HA PRO 17 HA PRO 17 -4.335 16.122 -1.702 108 HB2 PRO 17 1HB PRO 17 -4.747 14.328 0.242 109 HB3 PRO 17 2HB PRO 17 -4.636 13.761 -1.286 110 HG2 PRO 17 1HG PRO 17 -2.552 13.908 0.672 111 HG3 PRO 17 2HG PRO 17 -2.971 12.617 -0.236 112 HD2 PRO 17 1HD PRO 17 -0.992 14.177 -0.956 113 HD3 PRO 17 2HD PRO 17 -1.909 13.420 -2.076 114 H ARG 18 H ARG 18 -1.645 16.353 0.337 115 HA ARG 18 HA ARG 18 -3.086 18.088 2.084 116 HB2 ARG 18 1HB ARG 18 -2.679 15.508 2.758 117 HB3 ARG 18 2HB ARG 18 -1.441 16.248 3.524 118 HG2 ARG 18 1HG ARG 18 -4.099 17.141 3.999 119 HG3 ARG 18 2HG ARG 18 -3.542 15.823 4.785 120 HD2 ARG 18 1HD ARG 18 -1.711 17.184 5.610 121 HD3 ARG 18 2HD ARG 18 -2.460 18.486 4.968 122 HE ARG 18 HE ARG 18 -4.293 17.254 6.602 123 HH11 ARG 18 1HH1 ARG 18 -4.723 17.951 8.659 124 HH12 ARG 18 2HH1 ARG 18 -3.591 18.949 9.508 125 HH21 ARG 18 1HH2 ARG 18 -1.268 19.018 6.964 126 HH22 ARG 18 2HH2 ARG 18 -1.666 19.544 8.566 127 H GLU 19 H GLU 19 -0.126 17.032 0.967 128 HA GLU 19 HA GLU 19 1.499 18.528 2.664 129 HB2 GLU 19 1HB GLU 19 2.058 17.163 0.168 130 HB3 GLU 19 2HB GLU 19 3.243 17.790 1.100 131 HG2 GLU 19 1HG GLU 19 3.171 15.487 1.487 132 HG3 GLU 19 2HG GLU 19 2.645 16.238 2.838 133 H ARG 20 H ARG 20 3.420 19.880 1.469 134 HA ARG 20 HA ARG 20 2.150 21.637 -0.418 135 HB2 ARG 20 1HB ARG 20 3.639 22.580 1.886 136 HB3 ARG 20 2HB ARG 20 3.180 23.573 0.673 137 HG2 ARG 20 1HG ARG 20 1.314 22.175 2.358 138 HG3 ARG 20 2HG ARG 20 1.756 23.729 2.601 139 HD2 ARG 20 1HD ARG 20 0.814 24.323 0.480 140 HD3 ARG 20 2HD ARG 20 0.361 22.770 0.250 141 HE ARG 20 HE ARG 20 -0.877 24.659 2.021 142 HH11 ARG 20 1HH1 ARG 20 -0.925 21.358 0.760 143 HH12 ARG 20 2HH1 ARG 20 -2.531 21.081 1.346 144 HH21 ARG 20 1HH2 ARG 20 -2.924 24.212 2.699 145 HH22 ARG 20 2HH2 ARG 20 -3.635 22.658 2.417 146 H SER 21 H SER 21 5.207 21.059 1.127 147 HA SER 21 HA SER 21 6.625 21.928 -1.135 148 HB2 SER 21 1HB SER 21 7.835 20.522 1.118 149 HB3 SER 21 2HB SER 21 8.541 21.696 0.230 150 HG SER 21 HG SER 21 7.088 23.179 1.109 151 H SER 22 H SER 22 5.109 19.156 -0.647 152 HA SER 22 HA SER 22 6.911 17.697 -2.344 153 HB2 SER 22 1HB SER 22 6.277 15.656 -1.079 154 HB3 SER 22 2HB SER 22 7.217 16.696 -0.241 155 HG SER 22 HG SER 22 4.476 16.701 -0.086 156 H PHE 23 H PHE 23 5.973 15.973 -3.623 157 HA PHE 23 HA PHE 23 3.202 16.296 -4.264 158 HB2 PHE 23 1HB PHE 23 4.563 16.575 -6.632 159 HB3 PHE 23 2HB PHE 23 3.461 17.597 -5.994 160 HD1 PHE 23 HD1 PHE 23 4.191 19.558 -4.653 161 HD2 PHE 23 HD2 PHE 23 6.842 16.966 -6.486 162 HE1 PHE 23 HE1 PHE 23 5.979 21.121 -4.234 163 HE2 PHE 23 HE2 PHE 23 8.661 18.521 -6.096 164 HZ PHE 23 HZ PHE 23 8.214 20.602 -4.964 165 H TYR 24 H TYR 24 2.834 14.864 -6.445 166 HA TYR 24 HA TYR 24 4.241 12.394 -5.958 167 HB2 TYR 24 1HB TYR 24 1.787 12.851 -7.410 168 HB3 TYR 24 2HB TYR 24 2.497 11.383 -7.311 169 HD1 TYR 24 HD1 TYR 24 2.792 10.386 -4.965 170 HD2 TYR 24 HD2 TYR 24 0.164 13.467 -5.846 171 HE1 TYR 24 HE1 TYR 24 1.581 9.919 -2.947 172 HE2 TYR 24 HE2 TYR 24 -1.103 12.955 -3.861 173 HH TYR 24 HH TYR 24 -1.495 11.061 -2.294 174 H SER 25 H SER 25 4.965 11.169 -7.845 175 HA SER 25 HA SER 25 5.245 12.676 -10.264 176 HB2 SER 25 1HB SER 25 7.300 13.054 -9.061 177 HB3 SER 25 2HB SER 25 7.525 11.440 -8.952 178 HG SER 25 HG SER 25 8.748 12.140 -10.599 179 H CYS 26 H CYS 26 5.523 11.352 -12.114 180 HA CYS 26 HA CYS 26 5.290 8.491 -11.642 181 HB2 CYS 26 1HB CYS 26 3.461 9.975 -12.713 182 HB3 CYS 26 2HB CYS 26 4.262 9.400 -14.015 183 H ALA 27 H ALA 27 6.990 7.393 -12.513 184 HA ALA 27 HA ALA 27 8.411 8.590 -14.721 185 HB1 ALA 27 1HB ALA 27 9.687 9.268 -12.823 186 HB2 ALA 27 2HB ALA 27 10.542 8.184 -13.664 187 HB3 ALA 27 3HB ALA 27 9.779 7.738 -12.310 188 H ALA 28 H ALA 28 8.517 7.108 -16.316 189 HA ALA 28 HA ALA 28 8.231 5.159 -17.311 190 HB1 ALA 28 1HB ALA 28 10.431 4.630 -16.447 191 HB2 ALA 28 2HB ALA 28 9.566 3.269 -16.569 192 HB3 ALA 28 3HB ALA 28 9.766 3.973 -15.127 193 H GLY 29 H GLY 29 6.102 6.014 -15.666 194 HA2 GLY 29 1HA GLY 29 4.098 5.171 -15.069 195 HA3 GLY 29 2HA GLY 29 4.556 3.690 -15.584 196 H ARG 30 H ARG 30 6.709 4.788 -13.337 197 HA ARG 30 HA ARG 30 5.522 3.125 -11.314 198 HB2 ARG 30 1HB ARG 30 8.234 4.119 -11.419 199 HB3 ARG 30 2HB ARG 30 7.683 3.050 -10.314 200 HG2 ARG 30 1HG ARG 30 7.336 1.478 -12.085 201 HG3 ARG 30 2HG ARG 30 8.035 2.538 -13.113 202 HD2 ARG 30 1HD ARG 30 10.025 2.457 -11.749 203 HD3 ARG 30 2HD ARG 30 9.322 1.278 -10.865 204 HE ARG 30 HE ARG 30 9.310 0.520 -13.539 205 HH11 ARG 30 1HH1 ARG 30 11.550 0.783 -10.834 206 HH12 ARG 30 2HH1 ARG 30 12.613 -0.417 -11.488 207 HH21 ARG 30 1HH2 ARG 30 10.717 -1.001 -14.307 208 HH22 ARG 30 2HH2 ARG 30 12.149 -1.409 -13.421 209 H LEU 31 H LEU 31 5.403 3.808 -9.085 210 HA LEU 31 HA LEU 31 4.767 6.536 -8.920 211 HB2 LEU 31 1HB LEU 31 3.900 4.455 -7.584 212 HB3 LEU 31 2HB LEU 31 4.935 5.079 -6.485 213 HG LEU 31 HG LEU 31 2.619 6.377 -7.529 214 HD11 LEU 31 1HD1 LEU 31 1.799 6.164 -5.213 215 HD12 LEU 31 2HD1 LEU 31 3.167 5.396 -4.823 216 HD13 LEU 31 3HD1 LEU 31 2.113 4.705 -5.837 217 HD21 LEU 31 1HD2 LEU 31 2.944 8.197 -6.017 218 HD22 LEU 31 2HD2 LEU 31 4.142 8.115 -7.100 219 HD23 LEU 31 3HD2 LEU 31 4.378 7.583 -5.592 220 H PHE 32 H PHE 32 6.045 8.195 -8.360 221 HA PHE 32 HA PHE 32 8.184 7.668 -6.475 222 HB2 PHE 32 1HB PHE 32 8.378 9.242 -8.845 223 HB3 PHE 32 2HB PHE 32 9.358 9.532 -7.571 224 HD1 PHE 32 HD1 PHE 32 8.489 7.024 -10.002 225 HD2 PHE 32 HD2 PHE 32 11.289 8.193 -7.163 226 HE1 PHE 32 HE1 PHE 32 9.999 5.322 -10.805 227 HE2 PHE 32 HE2 PHE 32 12.802 6.478 -7.935 228 HZ PHE 32 HZ PHE 32 12.162 5.047 -9.772 229 H GLN 33 H GLN 33 8.264 9.343 -4.794 230 HA GLN 33 HA GLN 33 6.246 11.444 -5.111 231 HB2 GLN 33 1HB GLN 33 7.170 10.271 -2.714 232 HB3 GLN 33 2HB GLN 33 6.394 11.708 -2.749 233 HG2 GLN 33 1HG GLN 33 4.532 10.583 -3.856 234 HG3 GLN 33 2HG GLN 33 5.292 9.166 -3.571 235 HE21 GLN 33 1HE2 GLN 33 3.724 8.733 -0.558 236 HE22 GLN 33 2HE2 GLN 33 4.330 8.035 -2.023 237 H GLN 34 H GLN 34 7.010 13.600 -4.792 238 HA GLN 34 HA GLN 34 9.880 13.828 -4.933 239 HB2 GLN 34 1HB GLN 34 7.916 14.810 -6.776 240 HB3 GLN 34 2HB GLN 34 9.214 15.768 -6.525 241 HG2 GLN 34 1HG GLN 34 9.656 13.064 -7.280 242 HG3 GLN 34 2HG GLN 34 9.235 14.139 -8.435 243 HE21 GLN 34 1HE2 GLN 34 12.956 14.067 -6.995 244 HE22 GLN 34 2HE2 GLN 34 11.706 13.018 -6.413 245 H SER 35 H SER 35 10.726 15.976 -4.449 246 HA SER 35 HA SER 35 8.869 17.815 -3.222 247 HB2 SER 35 1HB SER 35 10.321 18.177 -1.364 248 HB3 SER 35 2HB SER 35 9.688 16.672 -1.336 249 HG SER 35 HG SER 35 11.540 15.796 -1.713 250 H CYS 36 H CYS 36 9.780 20.017 -3.492 251 HA CYS 36 HA CYS 36 12.150 20.062 -5.193 252 HB2 CYS 36 1HB CYS 36 9.978 21.840 -5.173 253 HB3 CYS 36 2HB CYS 36 11.421 22.226 -5.834 254 HA PRO 37 HA PRO 37 13.321 21.658 -1.277 255 HB2 PRO 37 1HB PRO 37 15.977 21.890 -1.514 256 HB3 PRO 37 2HB PRO 37 15.311 20.402 -1.407 257 HG2 PRO 37 1HG PRO 37 16.102 21.796 -3.779 258 HG3 PRO 37 2HG PRO 37 16.405 20.239 -3.389 259 HD2 PRO 37 1HD PRO 37 14.443 20.835 -4.992 260 HD3 PRO 37 2HD PRO 37 14.319 19.564 -3.975 261 H THR 38 H THR 38 15.781 23.469 -2.860 262 HA THR 38 HA THR 38 14.329 25.813 -2.090 263 HB THR 38 HB THR 38 16.548 25.696 -1.132 264 HG1 THR 38 HG1 THR 38 17.280 27.781 -2.170 265 HG21 THR 38 1HG2 THR 38 18.484 25.923 -2.517 266 HG22 THR 38 2HG2 THR 38 17.560 25.902 -3.844 267 HG23 THR 38 3HG2 THR 38 17.700 24.572 -2.936 268 H GLY 39 H GLY 39 14.022 27.648 -3.473 269 HA2 GLY 39 1HA GLY 39 14.148 28.764 -5.403 270 HA3 GLY 39 2HA GLY 39 15.255 27.700 -5.961 271 H LEU 40 H LEU 40 12.842 25.713 -5.486 272 HA LEU 40 HA LEU 40 11.634 26.255 -8.049 273 HB2 LEU 40 1HB LEU 40 12.446 23.645 -7.123 274 HB3 LEU 40 2HB LEU 40 11.704 23.925 -8.550 275 HG LEU 40 HG LEU 40 14.387 24.770 -7.978 276 HD11 LEU 40 1HD1 LEU 40 15.050 22.888 -9.372 277 HD12 LEU 40 2HD1 LEU 40 13.500 22.452 -9.515 278 HD13 LEU 40 3HD1 LEU 40 14.239 22.351 -8.080 279 HD21 LEU 40 1HD2 LEU 40 14.596 25.171 -10.306 280 HD22 LEU 40 2HD2 LEU 40 13.432 26.100 -9.677 281 HD23 LEU 40 3HD2 LEU 40 13.043 24.778 -10.522 282 H VAL 41 H VAL 41 9.421 25.722 -8.293 283 HA VAL 41 HA VAL 41 8.147 24.622 -5.977 284 HB VAL 41 HB VAL 41 6.312 26.283 -6.203 285 HG11 VAL 41 1HG1 VAL 41 7.473 28.090 -5.099 286 HG12 VAL 41 2HG1 VAL 41 8.890 27.454 -5.546 287 HG13 VAL 41 3HG1 VAL 41 7.950 26.670 -4.490 288 HG21 VAL 41 1HG2 VAL 41 6.712 28.291 -7.490 289 HG22 VAL 41 2HG2 VAL 41 6.707 27.003 -8.468 290 HG23 VAL 41 3HG2 VAL 41 8.109 27.676 -8.024 291 H PHE 42 H PHE 42 6.183 23.362 -6.387 292 HA PHE 42 HA PHE 42 6.051 22.450 -9.047 293 HB2 PHE 42 1HB PHE 42 5.574 20.856 -7.429 294 HB3 PHE 42 2HB PHE 42 4.423 21.800 -6.756 295 HD1 PHE 42 HD1 PHE 42 4.937 20.610 -10.174 296 HD2 PHE 42 HD2 PHE 42 2.321 20.805 -6.947 297 HE1 PHE 42 HE1 PHE 42 3.232 19.544 -11.501 298 HE2 PHE 42 HE2 PHE 42 0.617 19.699 -8.258 299 HZ PHE 42 HZ PHE 42 1.076 19.068 -10.542 300 H SER 43 H SER 43 4.791 23.137 -10.725 301 HA SER 43 HA SER 43 2.498 24.717 -10.003 302 HB2 SER 43 1HB SER 43 4.141 26.182 -10.959 303 HB3 SER 43 2HB SER 43 4.166 25.269 -12.313 304 HG SER 43 HG SER 43 2.820 27.204 -12.297 305 H ASN 44 H ASN 44 0.598 23.907 -10.642 306 HA ASN 44 HA ASN 44 0.548 21.600 -12.118 307 HB2 ASN 44 1HB ASN 44 -1.431 23.280 -10.979 308 HB3 ASN 44 2HB ASN 44 -1.987 22.432 -12.259 309 HD21 ASN 44 1HD2 ASN 44 -1.974 20.730 -8.768 310 HD22 ASN 44 2HD2 ASN 44 -1.875 22.433 -9.071 311 H SER 45 H SER 45 0.530 24.807 -13.206 312 HA SER 45 HA SER 45 -0.740 24.390 -15.634 313 HB2 SER 45 1HB SER 45 0.315 26.521 -16.289 314 HB3 SER 45 2HB SER 45 -0.412 26.627 -14.831 315 HG SER 45 HG SER 45 1.426 26.734 -13.825 316 H CYS 46 H CYS 46 2.526 23.969 -14.651 317 HA CYS 46 HA CYS 46 3.357 23.291 -17.305 318 HB2 CYS 46 1HB CYS 46 4.802 24.545 -15.947 319 HB3 CYS 46 2HB CYS 46 4.811 23.345 -14.839 320 H LYS 47 H LYS 47 2.215 21.895 -14.517 321 HA LYS 47 HA LYS 47 2.099 19.797 -13.706 322 HB2 LYS 47 1HB LYS 47 1.371 19.470 -16.160 323 HB3 LYS 47 2HB LYS 47 2.648 18.452 -16.131 324 HG2 LYS 47 1HG LYS 47 0.760 17.213 -15.706 325 HG3 LYS 47 2HG LYS 47 1.613 17.295 -14.316 326 HD2 LYS 47 1HD LYS 47 0.161 19.040 -13.548 327 HD3 LYS 47 2HD LYS 47 -0.707 18.908 -14.925 328 HE2 LYS 47 1HE LYS 47 -1.323 16.703 -14.330 329 HE3 LYS 47 2HE LYS 47 -0.444 16.824 -12.959 330 HZ1 LYS 47 1HZ LYS 47 -2.735 17.261 -12.501 331 HZ2 LYS 47 2HZ LYS 47 -2.727 18.469 -13.576 332 HZ3 LYS 47 3HZ LYS 47 -1.857 18.589 -12.219 333 H CYS 48 H CYS 48 4.540 21.253 -13.842 334 HA CYS 48 HA CYS 48 6.437 19.167 -13.352 335 HB2 CYS 48 1HB CYS 48 7.988 19.903 -14.750 336 HB3 CYS 48 2HB CYS 48 6.616 20.036 -15.626 337 H CYS 49 H CYS 49 8.494 20.180 -12.278 338 HA CYS 49 HA CYS 49 7.647 22.192 -10.422 339 HB2 CYS 49 1HB CYS 49 9.033 20.245 -9.922 340 HB3 CYS 49 2HB CYS 49 10.257 21.133 -10.538 341 H THR 50 H THR 50 8.035 24.352 -10.683 342 HA THR 50 HA THR 50 9.665 25.073 -12.934 343 HB THR 50 HB THR 50 8.240 27.137 -13.002 344 HG1 THR 50 HG1 THR 50 6.198 26.680 -11.762 345 HG21 THR 50 1HG2 THR 50 6.291 26.077 -13.899 346 HG22 THR 50 2HG2 THR 50 6.714 24.676 -13.211 347 HG23 THR 50 3HG2 THR 50 7.597 25.281 -14.424 348 H TRP 51 H TRP 51 10.817 27.211 -12.812 349 HA TRP 51 HA TRP 51 12.108 27.503 -10.370 350 HB2 TRP 51 1HB TRP 51 13.060 28.170 -12.496 351 HB3 TRP 51 2HB TRP 51 12.052 29.455 -12.501 352 HD1 TRP 51 HD1 TRP 51 14.696 28.158 -10.156 353 HE1 TRP 51 HE1 TRP 51 16.032 30.011 -9.129 354 HE3 TRP 51 HE3 TRP 51 12.279 31.949 -12.343 355 HZ2 TRP 51 HZ2 TRP 51 15.951 32.825 -9.280 356 HZ3 TRP 51 HZ3 TRP 51 12.989 34.219 -11.869 357 HH2 TRP 51 HH2 TRP 51 14.802 34.637 -10.332 358 H ASN 52 H ASN 52 11.968 29.087 -8.722 359 HA ASN 52 HA ASN 52 9.371 30.084 -8.369 360 HB2 ASN 52 1HB ASN 52 10.682 29.293 -6.500 361 HB3 ASN 52 2HB ASN 52 11.690 30.563 -6.690 362 HD21 ASN 52 1HD2 ASN 52 9.954 32.356 -4.335 363 HD22 ASN 52 2HD2 ASN 52 11.481 31.749 -4.884 364 H GLY 53 H GLY 53 9.432 31.393 -10.385 365 HA2 GLY 53 1HA GLY 53 10.894 33.822 -10.256 366 HA3 GLY 53 2HA GLY 53 9.888 33.356 -11.455 367 H LEU 54 H LEU 54 9.431 33.928 -8.036 368 HA LEU 54 HA LEU 54 6.946 35.098 -8.382 369 HB2 LEU 54 1HB LEU 54 7.721 34.104 -6.312 370 HB3 LEU 54 2HB LEU 54 8.652 35.425 -6.076 371 HG LEU 54 HG LEU 54 5.981 36.120 -6.491 372 HD11 LEU 54 1HD1 LEU 54 5.120 35.270 -4.432 373 HD12 LEU 54 2HD1 LEU 54 6.504 34.472 -4.178 374 HD13 LEU 54 3HD1 LEU 54 5.540 34.049 -5.406 375 HD21 LEU 54 1HD2 LEU 54 6.320 37.477 -4.568 376 HD22 LEU 54 2HD2 LEU 54 7.539 37.678 -5.611 377 HD23 LEU 54 3HD2 LEU 54 7.742 36.756 -4.298 378 H VAL 55 H VAL 55 6.277 37.136 -8.861 379 HA VAL 55 HA VAL 55 8.294 39.227 -8.835 380 HB VAL 55 HB VAL 55 6.009 39.074 -10.623 381 HG11 VAL 55 1HG1 VAL 55 6.931 40.986 -11.750 382 HG12 VAL 55 2HG1 VAL 55 8.116 41.068 -10.652 383 HG13 VAL 55 3HG1 VAL 55 6.587 41.361 -10.215 384 HG21 VAL 55 1HG2 VAL 55 7.624 38.661 -12.385 385 HG22 VAL 55 2HG2 VAL 55 7.712 37.487 -11.277 386 HG23 VAL 55 3HG2 VAL 55 8.818 38.667 -11.294 387 HA PRO 56 HA PRO 56 5.424 40.825 -5.895 388 HB2 PRO 56 1HB PRO 56 6.786 42.855 -4.900 389 HB3 PRO 56 2HB PRO 56 7.447 41.373 -4.714 390 HG2 PRO 56 1HG PRO 56 8.039 43.314 -6.707 391 HG3 PRO 56 2HG PRO 56 9.091 42.456 -5.799 392 HD2 PRO 56 1HD PRO 56 8.433 41.715 -8.267 393 HD3 PRO 56 2HD PRO 56 8.941 40.637 -7.149 394 H ARG 57 H ARG 57 5.530 41.849 -8.759 395 HA ARG 57 HA ARG 57 4.046 44.269 -8.281 396 HB2 ARG 57 1HB ARG 57 5.493 43.474 -10.655 397 HB3 ARG 57 2HB ARG 57 4.533 44.795 -10.624 398 HG2 ARG 57 1HG ARG 57 5.962 45.767 -9.007 399 HG3 ARG 57 2HG ARG 57 6.938 44.461 -9.108 400 HD2 ARG 57 1HD ARG 57 7.762 46.260 -10.487 401 HD3 ARG 57 2HD ARG 57 7.389 44.955 -11.396 402 HE ARG 57 HE ARG 57 5.689 46.071 -12.421 403 HH11 ARG 57 1HH1 ARG 57 4.519 47.861 -12.925 404 HH12 ARG 57 2HH1 ARG 57 4.652 49.304 -11.975 405 HH21 ARG 57 1HH2 ARG 57 6.920 47.996 -9.739 406 HH22 ARG 57 2HH2 ARG 57 5.987 49.380 -10.202 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 3.643 6.638 -0.627 2 H2 GLY 1 2H GLY 1 3.777 5.418 -1.679 3 H3 GLY 1 3H GLY 1 3.422 5.115 -0.131 4 HA2 GLY 1 1HA GLY 1 1.339 6.199 -0.389 5 HA3 GLY 1 2HA GLY 1 1.698 6.505 -1.952 6 H SER 2 H SER 2 -0.482 5.353 -2.241 7 HA SER 2 HA SER 2 -0.560 2.610 -1.822 8 HB2 SER 2 1HB SER 2 -2.606 3.714 -2.271 9 HB3 SER 2 2HB SER 2 -2.066 4.214 -3.729 10 HG SER 2 HG SER 2 -2.614 1.616 -2.998 11 HA PRO 3 HA PRO 3 2.012 1.433 -5.114 12 HB2 PRO 3 1HB PRO 3 1.405 -1.132 -5.584 13 HB3 PRO 3 2HB PRO 3 2.191 -0.748 -4.204 14 HG2 PRO 3 1HG PRO 3 -0.621 -1.125 -4.559 15 HG3 PRO 3 2HG PRO 3 0.334 -1.780 -3.408 16 HD2 PRO 3 1HD PRO 3 -1.057 0.336 -2.851 17 HD3 PRO 3 2HD PRO 3 0.442 0.178 -2.223 18 H THR 4 H THR 4 -1.336 1.086 -5.541 19 HA THR 4 HA THR 4 -1.077 0.838 -8.339 20 HB THR 4 HB THR 4 -3.581 0.964 -8.289 21 HG1 THR 4 HG1 THR 4 -4.592 1.392 -6.489 22 HG21 THR 4 1HG2 THR 4 -3.896 -1.136 -7.158 23 HG22 THR 4 2HG2 THR 4 -2.458 -0.981 -6.435 24 HG23 THR 4 3HG2 THR 4 -2.538 -1.224 -8.031 25 H PHE 5 H PHE 5 -0.731 3.329 -6.374 26 HA PHE 5 HA PHE 5 -2.310 5.315 -7.385 27 HB2 PHE 5 1HB PHE 5 -0.980 5.444 -5.348 28 HB3 PHE 5 2HB PHE 5 0.364 5.587 -6.264 29 HD1 PHE 5 HD1 PHE 5 1.050 7.690 -7.157 30 HD2 PHE 5 HD2 PHE 5 -2.604 7.321 -5.209 31 HE1 PHE 5 HE1 PHE 5 0.923 10.094 -6.959 32 HE2 PHE 5 HE2 PHE 5 -2.780 9.724 -5.075 33 HZ PHE 5 HZ PHE 5 -1.006 11.110 -5.937 34 H CYS 6 H CYS 6 0.783 4.283 -8.531 35 HA CYS 6 HA CYS 6 0.567 6.232 -10.628 36 HB2 CYS 6 1HB CYS 6 2.659 5.513 -9.043 37 HB3 CYS 6 2HB CYS 6 3.072 5.193 -10.591 38 H GLN 7 H GLN 7 -0.082 3.157 -10.257 39 HA GLN 7 HA GLN 7 1.259 1.978 -12.391 40 HB2 GLN 7 1HB GLN 7 -0.914 1.277 -10.723 41 HB3 GLN 7 2HB GLN 7 -0.722 0.411 -12.095 42 HG2 GLN 7 1HG GLN 7 1.416 -0.275 -11.401 43 HG3 GLN 7 2HG GLN 7 1.308 0.661 -10.067 44 HE21 GLN 7 1HE2 GLN 7 0.546 -2.367 -8.477 45 HE22 GLN 7 2HE2 GLN 7 1.829 -1.261 -8.837 46 H GLY 8 H GLY 8 0.983 2.185 -14.544 47 HA2 GLY 8 1HA GLY 8 -0.152 2.571 -16.458 48 HA3 GLY 8 2HA GLY 8 -1.568 2.475 -15.650 49 H LYS 9 H LYS 9 0.601 4.788 -14.461 50 HA LYS 9 HA LYS 9 -1.049 6.851 -15.594 51 HB2 LYS 9 1HB LYS 9 0.334 6.702 -13.156 52 HB3 LYS 9 2HB LYS 9 0.332 8.180 -13.850 53 HG2 LYS 9 1HG LYS 9 -1.482 8.145 -12.468 54 HG3 LYS 9 2HG LYS 9 -2.076 8.001 -13.982 55 HD2 LYS 9 1HD LYS 9 -2.356 5.688 -13.691 56 HD3 LYS 9 2HD LYS 9 -1.655 5.763 -12.218 57 HE2 LYS 9 1HE LYS 9 -4.181 6.975 -12.879 58 HE3 LYS 9 2HE LYS 9 -4.014 5.597 -12.019 59 HZ1 LYS 9 1HZ LYS 9 -4.393 7.425 -10.567 60 HZ2 LYS 9 2HZ LYS 9 -3.087 8.177 -11.152 61 HZ3 LYS 9 3HZ LYS 9 -2.920 6.812 -10.301 62 H ALA 10 H ALA 10 -0.292 8.611 -16.701 63 HA ALA 10 HA ALA 10 2.075 8.235 -18.112 64 HB1 ALA 10 1HB ALA 10 0.260 9.495 -19.075 65 HB2 ALA 10 2HB ALA 10 1.587 10.419 -19.069 66 HB3 ALA 10 3HB ALA 10 0.440 10.643 -17.951 67 H ASP 11 H ASP 11 4.020 9.465 -18.102 68 HA ASP 11 HA ASP 11 4.981 9.983 -15.580 69 HB2 ASP 11 1HB ASP 11 6.105 10.771 -18.148 70 HB3 ASP 11 2HB ASP 11 6.966 10.763 -16.760 71 H GLY 12 H GLY 12 5.981 11.968 -14.713 72 HA2 GLY 12 1HA GLY 12 6.072 14.377 -15.069 73 HA3 GLY 12 2HA GLY 12 4.514 14.323 -15.556 74 H LEU 13 H LEU 13 4.590 16.143 -13.795 75 HA LEU 13 HA LEU 13 4.446 14.951 -11.219 76 HB2 LEU 13 1HB LEU 13 4.340 17.767 -11.869 77 HB3 LEU 13 2HB LEU 13 4.457 17.186 -10.347 78 HG LEU 13 HG LEU 13 6.552 17.240 -12.307 79 HD11 LEU 13 1HD1 LEU 13 7.612 18.659 -10.632 80 HD12 LEU 13 2HD1 LEU 13 6.327 18.477 -9.668 81 HD13 LEU 13 3HD1 LEU 13 6.188 19.298 -11.055 82 HD21 LEU 13 1HD2 LEU 13 7.984 16.189 -10.773 83 HD22 LEU 13 2HD2 LEU 13 6.777 15.199 -11.194 84 HD23 LEU 13 3HD2 LEU 13 6.744 15.950 -9.763 85 H TYR 14 H TYR 14 2.756 15.267 -9.713 86 HA TYR 14 HA TYR 14 0.209 16.123 -10.803 87 HB2 TYR 14 1HB TYR 14 0.668 13.701 -9.310 88 HB3 TYR 14 2HB TYR 14 -0.824 14.294 -9.611 89 HD1 TYR 14 HD1 TYR 14 2.018 12.756 -11.116 90 HD2 TYR 14 HD2 TYR 14 -1.894 13.959 -11.783 91 HE1 TYR 14 HE1 TYR 14 2.012 11.540 -13.206 92 HE2 TYR 14 HE2 TYR 14 -1.925 12.708 -13.861 93 HH TYR 14 HH TYR 14 0.032 10.387 -14.703 94 HA PRO 15 HA PRO 15 0.456 18.400 -7.135 95 HB2 PRO 15 1HB PRO 15 -2.050 19.159 -6.605 96 HB3 PRO 15 2HB PRO 15 -1.303 19.777 -7.919 97 HG2 PRO 15 1HG PRO 15 -3.095 17.555 -7.818 98 HG3 PRO 15 2HG PRO 15 -3.139 18.826 -8.843 99 HD2 PRO 15 1HD PRO 15 -2.063 16.590 -9.614 100 HD3 PRO 15 2HD PRO 15 -1.421 18.007 -10.112 101 H ASN 16 H ASN 16 0.537 18.361 -4.952 102 HA ASN 16 HA ASN 16 -0.515 15.916 -3.856 103 HB2 ASN 16 1HB ASN 16 1.912 16.289 -3.805 104 HB3 ASN 16 2HB ASN 16 1.636 17.484 -2.726 105 HD21 ASN 16 1HD2 ASN 16 2.272 13.940 -1.388 106 HD22 ASN 16 2HD2 ASN 16 2.792 14.609 -2.898 107 HA PRO 17 HA PRO 17 -2.980 18.623 -1.528 108 HB2 PRO 17 1HB PRO 17 -4.729 16.924 -0.415 109 HB3 PRO 17 2HB PRO 17 -4.747 17.036 -2.044 110 HG2 PRO 17 1HG PRO 17 -3.313 15.135 -0.454 111 HG3 PRO 17 2HG PRO 17 -4.334 14.819 -1.690 112 HD2 PRO 17 1HD PRO 17 -1.782 14.908 -2.109 113 HD3 PRO 17 2HD PRO 17 -2.816 15.441 -3.255 114 H ARG 18 H ARG 18 -1.013 16.418 0.003 115 HA ARG 18 HA ARG 18 -1.720 17.615 2.459 116 HB2 ARG 18 1HB ARG 18 -1.178 14.798 1.912 117 HB3 ARG 18 2HB ARG 18 -1.013 15.301 3.457 118 HG2 ARG 18 1HG ARG 18 -3.337 15.926 3.413 119 HG3 ARG 18 2HG ARG 18 -3.447 15.189 1.960 120 HD2 ARG 18 1HD ARG 18 -2.801 13.138 2.914 121 HD3 ARG 18 2HD ARG 18 -2.571 13.858 4.361 122 HE ARG 18 HE ARG 18 -5.214 14.217 3.541 123 HH11 ARG 18 1HH1 ARG 18 -6.852 13.101 4.529 124 HH12 ARG 18 2HH1 ARG 18 -6.518 11.673 5.449 125 HH21 ARG 18 1HH2 ARG 18 -3.113 11.760 4.935 126 HH22 ARG 18 2HH2 ARG 18 -4.437 10.925 5.677 127 H GLU 19 H GLU 19 1.043 16.172 0.964 128 HA GLU 19 HA GLU 19 2.454 15.871 3.206 129 HB2 GLU 19 1HB GLU 19 3.178 16.033 0.469 130 HB3 GLU 19 2HB GLU 19 4.440 16.310 1.468 131 HG2 GLU 19 1HG GLU 19 4.625 14.101 1.097 132 HG3 GLU 19 2HG GLU 19 3.806 14.132 2.509 133 H ARG 20 H ARG 20 3.224 18.584 1.108 134 HA ARG 20 HA ARG 20 3.418 20.413 3.185 135 HB2 ARG 20 1HB ARG 20 5.470 19.111 3.641 136 HB3 ARG 20 2HB ARG 20 6.074 19.739 2.259 137 HG2 ARG 20 1HG ARG 20 6.941 21.028 3.950 138 HG3 ARG 20 2HG ARG 20 5.776 21.946 3.267 139 HD2 ARG 20 1HD ARG 20 4.270 21.345 5.021 140 HD3 ARG 20 2HD ARG 20 5.429 20.418 5.702 141 HE ARG 20 HE ARG 20 5.267 23.275 5.777 142 HH11 ARG 20 1HH1 ARG 20 7.210 20.450 6.604 143 HH12 ARG 20 2HH1 ARG 20 8.181 21.347 7.724 144 HH21 ARG 20 1HH2 ARG 20 6.546 24.338 7.228 145 HH22 ARG 20 2HH2 ARG 20 7.811 23.507 8.070 146 H SER 21 H SER 21 5.935 20.723 0.980 147 HA SER 21 HA SER 21 4.372 22.350 -0.860 148 HB2 SER 21 1HB SER 21 6.525 23.464 -1.275 149 HB3 SER 21 2HB SER 21 5.924 23.732 0.220 150 HG SER 21 HG SER 21 7.267 21.633 0.542 151 H SER 22 H SER 22 5.191 19.463 -0.482 152 HA SER 22 HA SER 22 6.834 18.927 -2.716 153 HB2 SER 22 1HB SER 22 5.781 16.604 -1.687 154 HB3 SER 22 2HB SER 22 7.283 17.173 -1.392 155 HG SER 22 HG SER 22 4.989 17.689 0.044 156 H PHE 23 H PHE 23 6.128 16.965 -4.123 157 HA PHE 23 HA PHE 23 3.411 17.364 -5.001 158 HB2 PHE 23 1HB PHE 23 4.282 17.186 -7.306 159 HB3 PHE 23 2HB PHE 23 4.628 18.593 -6.552 160 HD1 PHE 23 HD1 PHE 23 6.771 19.399 -6.632 161 HD2 PHE 23 HD2 PHE 23 6.173 15.320 -7.125 162 HE1 PHE 23 HE1 PHE 23 9.119 19.116 -7.104 163 HE2 PHE 23 HE2 PHE 23 8.525 15.020 -7.559 164 HZ PHE 23 HZ PHE 23 10.003 16.920 -7.545 165 H TYR 24 H TYR 24 2.891 15.555 -6.720 166 HA TYR 24 HA TYR 24 4.060 13.051 -5.844 167 HB2 TYR 24 1HB TYR 24 1.645 13.581 -7.297 168 HB3 TYR 24 2HB TYR 24 2.274 12.077 -7.195 169 HD1 TYR 24 HD1 TYR 24 2.784 11.370 -4.629 170 HD2 TYR 24 HD2 TYR 24 -0.151 14.014 -5.898 171 HE1 TYR 24 HE1 TYR 24 1.537 10.960 -2.599 172 HE2 TYR 24 HE2 TYR 24 -1.415 13.578 -3.891 173 HH TYR 24 HH TYR 24 -1.671 11.820 -2.163 174 H SER 25 H SER 25 5.199 11.848 -7.504 175 HA SER 25 HA SER 25 5.322 13.090 -10.108 176 HB2 SER 25 1HB SER 25 7.337 13.723 -8.997 177 HB3 SER 25 2HB SER 25 7.654 12.157 -8.657 178 HG SER 25 HG SER 25 8.849 12.709 -10.389 179 H CYS 26 H CYS 26 5.361 11.639 -11.816 180 HA CYS 26 HA CYS 26 5.370 8.844 -11.061 181 HB2 CYS 26 1HB CYS 26 3.351 10.050 -12.047 182 HB3 CYS 26 2HB CYS 26 4.090 9.578 -13.425 183 H ALA 27 H ALA 27 6.998 7.673 -11.923 184 HA ALA 27 HA ALA 27 8.159 8.577 -14.404 185 HB1 ALA 27 1HB ALA 27 9.630 9.450 -12.732 186 HB2 ALA 27 2HB ALA 27 10.394 8.266 -13.527 187 HB3 ALA 27 3HB ALA 27 9.771 7.985 -12.061 188 H ALA 28 H ALA 28 8.111 6.909 -15.824 189 HA ALA 28 HA ALA 28 7.825 4.845 -16.549 190 HB1 ALA 28 1HB ALA 28 10.145 4.558 -15.854 191 HB2 ALA 28 2HB ALA 28 9.376 3.139 -15.756 192 HB3 ALA 28 3HB ALA 28 9.648 4.005 -14.418 193 H GLY 29 H GLY 29 5.822 5.726 -14.756 194 HA2 GLY 29 1HA GLY 29 3.962 4.792 -13.878 195 HA3 GLY 29 2HA GLY 29 4.489 3.308 -14.312 196 H ARG 30 H ARG 30 6.537 5.134 -12.332 197 HA ARG 30 HA ARG 30 5.767 3.584 -10.002 198 HB2 ARG 30 1HB ARG 30 8.430 4.551 -10.557 199 HB3 ARG 30 2HB ARG 30 8.013 3.616 -9.285 200 HG2 ARG 30 1HG ARG 30 7.960 2.732 -12.024 201 HG3 ARG 30 2HG ARG 30 9.143 2.360 -10.961 202 HD2 ARG 30 1HD ARG 30 7.627 1.090 -9.667 203 HD3 ARG 30 2HD ARG 30 6.391 1.529 -10.641 204 HE ARG 30 HE ARG 30 8.425 -0.404 -11.235 205 HH11 ARG 30 1HH1 ARG 30 8.106 -1.735 -12.965 206 HH12 ARG 30 2HH1 ARG 30 6.777 -1.481 -14.046 207 HH21 ARG 30 1HH2 ARG 30 5.565 1.294 -12.413 208 HH22 ARG 30 2HH2 ARG 30 5.366 0.200 -13.741 209 H LEU 31 H LEU 31 5.764 4.658 -7.951 210 HA LEU 31 HA LEU 31 5.240 7.421 -8.300 211 HB2 LEU 31 1HB LEU 31 3.639 6.167 -7.057 212 HB3 LEU 31 2HB LEU 31 4.800 5.664 -6.024 213 HG LEU 31 HG LEU 31 4.915 7.838 -5.086 214 HD11 LEU 31 1HD1 LEU 31 3.388 9.555 -5.692 215 HD12 LEU 31 2HD1 LEU 31 2.813 8.633 -6.890 216 HD13 LEU 31 3HD1 LEU 31 4.335 9.177 -6.948 217 HD21 LEU 31 1HD2 LEU 31 2.756 7.786 -3.996 218 HD22 LEU 31 2HD2 LEU 31 3.349 6.286 -4.115 219 HD23 LEU 31 3HD2 LEU 31 2.203 6.787 -5.141 220 H PHE 32 H PHE 32 6.496 9.071 -7.787 221 HA PHE 32 HA PHE 32 8.409 8.672 -5.649 222 HB2 PHE 32 1HB PHE 32 8.660 10.343 -7.971 223 HB3 PHE 32 2HB PHE 32 9.629 10.530 -6.670 224 HD1 PHE 32 HD1 PHE 32 8.711 8.137 -9.209 225 HD2 PHE 32 HD2 PHE 32 11.591 9.238 -6.421 226 HE1 PHE 32 HE1 PHE 32 10.184 6.440 -10.082 227 HE2 PHE 32 HE2 PHE 32 13.084 7.547 -7.284 228 HZ PHE 32 HZ PHE 32 12.382 6.145 -9.123 229 H GLN 33 H GLN 33 8.054 9.964 -3.829 230 HA GLN 33 HA GLN 33 6.195 12.207 -4.119 231 HB2 GLN 33 1HB GLN 33 6.661 10.530 -1.851 232 HB3 GLN 33 2HB GLN 33 5.836 11.936 -1.754 233 HG2 GLN 33 1HG GLN 33 4.065 11.102 -2.965 234 HG3 GLN 33 2HG GLN 33 4.944 9.847 -3.530 235 HE21 GLN 33 1HE2 GLN 33 3.304 9.619 0.154 236 HE22 GLN 33 2HE2 GLN 33 3.650 11.152 -0.574 237 H GLN 34 H GLN 34 7.420 14.054 -4.368 238 HA GLN 34 HA GLN 34 9.800 14.323 -2.791 239 HB2 GLN 34 1HB GLN 34 9.802 14.497 -5.692 240 HB3 GLN 34 2HB GLN 34 11.077 14.961 -4.783 241 HG2 GLN 34 1HG GLN 34 11.463 12.750 -4.133 242 HG3 GLN 34 2HG GLN 34 10.129 12.256 -4.936 243 HE21 GLN 34 1HE2 GLN 34 13.558 12.274 -6.808 244 HE22 GLN 34 2HE2 GLN 34 13.339 12.314 -5.090 245 H SER 35 H SER 35 10.826 16.582 -3.084 246 HA SER 35 HA SER 35 8.735 18.504 -3.634 247 HB2 SER 35 1HB SER 35 9.888 19.959 -2.026 248 HB3 SER 35 2HB SER 35 9.341 18.591 -1.322 249 HG SER 35 HG SER 35 11.369 18.800 -0.641 250 H CYS 36 H CYS 36 9.423 20.613 -4.523 251 HA CYS 36 HA CYS 36 11.522 20.272 -6.446 252 HB2 CYS 36 1HB CYS 36 9.434 21.238 -6.981 253 HB3 CYS 36 2HB CYS 36 9.815 22.501 -6.019 254 HA PRO 37 HA PRO 37 14.094 22.030 -3.534 255 HB2 PRO 37 1HB PRO 37 16.426 22.457 -4.857 256 HB3 PRO 37 2HB PRO 37 15.979 20.934 -4.472 257 HG2 PRO 37 1HG PRO 37 15.568 22.295 -6.959 258 HG3 PRO 37 2HG PRO 37 16.156 20.787 -6.734 259 HD2 PRO 37 1HD PRO 37 13.663 21.092 -7.345 260 HD3 PRO 37 2HD PRO 37 14.084 19.926 -6.282 261 H THR 38 H THR 38 14.623 24.001 -6.386 262 HA THR 38 HA THR 38 14.549 26.230 -4.589 263 HB THR 38 HB THR 38 16.609 26.164 -5.858 264 HG1 THR 38 HG1 THR 38 15.719 28.305 -7.093 265 HG21 THR 38 1HG2 THR 38 16.610 26.457 -8.225 266 HG22 THR 38 2HG2 THR 38 14.993 26.465 -8.244 267 HG23 THR 38 3HG2 THR 38 15.790 25.110 -7.866 268 H GLY 39 H GLY 39 13.170 28.019 -4.757 269 HA2 GLY 39 1HA GLY 39 11.649 29.319 -5.797 270 HA3 GLY 39 2HA GLY 39 11.971 28.567 -7.210 271 H LEU 40 H LEU 40 10.813 26.680 -4.621 272 HA LEU 40 HA LEU 40 9.323 25.416 -6.416 273 HB2 LEU 40 1HB LEU 40 8.208 24.522 -4.159 274 HB3 LEU 40 2HB LEU 40 9.720 24.070 -4.583 275 HG LEU 40 HG LEU 40 10.583 25.725 -3.100 276 HD11 LEU 40 1HD1 LEU 40 9.233 26.725 -1.414 277 HD12 LEU 40 2HD1 LEU 40 7.904 26.145 -2.130 278 HD13 LEU 40 3HD1 LEU 40 8.808 27.256 -2.881 279 HD21 LEU 40 1HD2 LEU 40 10.065 24.435 -1.072 280 HD22 LEU 40 2HD2 LEU 40 10.330 23.433 -2.313 281 HD23 LEU 40 3HD2 LEU 40 8.817 23.755 -1.842 282 H VAL 41 H VAL 41 7.743 25.827 -7.624 283 HA VAL 41 HA VAL 41 5.205 26.052 -6.322 284 HB VAL 41 HB VAL 41 4.303 27.536 -8.042 285 HG11 VAL 41 1HG1 VAL 41 5.107 29.568 -7.047 286 HG12 VAL 41 2HG1 VAL 41 6.326 28.755 -6.362 287 HG13 VAL 41 3HG1 VAL 41 4.803 28.473 -5.897 288 HG21 VAL 41 1HG2 VAL 41 5.789 28.865 -9.336 289 HG22 VAL 41 2HG2 VAL 41 5.960 27.302 -9.714 290 HG23 VAL 41 3HG2 VAL 41 7.048 28.028 -8.764 291 H PHE 42 H PHE 42 3.464 25.145 -7.870 292 HA PHE 42 HA PHE 42 4.688 23.343 -9.772 293 HB2 PHE 42 1HB PHE 42 3.734 22.062 -8.071 294 HB3 PHE 42 2HB PHE 42 2.355 22.937 -8.114 295 HD1 PHE 42 HD1 PHE 42 4.241 21.102 -10.648 296 HD2 PHE 42 HD2 PHE 42 0.547 21.680 -8.830 297 HE1 PHE 42 HE1 PHE 42 3.242 19.544 -12.186 298 HE2 PHE 42 HE2 PHE 42 -0.447 20.085 -10.334 299 HZ PHE 42 HZ PHE 42 0.901 19.016 -12.018 300 H SER 43 H SER 43 4.146 23.480 -11.882 301 HA SER 43 HA SER 43 1.877 25.143 -12.492 302 HB2 SER 43 1HB SER 43 3.865 26.049 -13.410 303 HB3 SER 43 2HB SER 43 4.204 24.631 -14.148 304 HG SER 43 HG SER 43 2.485 24.883 -15.487 305 H ASN 44 H ASN 44 0.086 24.103 -13.041 306 HA ASN 44 HA ASN 44 0.101 21.446 -13.671 307 HB2 ASN 44 1HB ASN 44 -1.944 23.488 -13.877 308 HB3 ASN 44 2HB ASN 44 -2.297 21.995 -14.438 309 HD21 ASN 44 1HD2 ASN 44 -2.791 22.778 -10.644 310 HD22 ASN 44 2HD2 ASN 44 -2.558 23.965 -11.884 311 H SER 45 H SER 45 0.292 24.148 -15.771 312 HA SER 45 HA SER 45 -0.632 22.877 -18.036 313 HB2 SER 45 1HB SER 45 0.477 24.782 -19.225 314 HB3 SER 45 2HB SER 45 -0.514 25.264 -18.019 315 HG SER 45 HG SER 45 1.121 25.761 -16.763 316 H CYS 46 H CYS 46 2.527 22.968 -16.710 317 HA CYS 46 HA CYS 46 3.513 21.482 -18.964 318 HB2 CYS 46 1HB CYS 46 5.670 21.939 -18.160 319 HB3 CYS 46 2HB CYS 46 4.819 23.315 -18.380 320 H LYS 47 H LYS 47 2.156 20.934 -16.104 321 HA LYS 47 HA LYS 47 2.262 19.348 -14.515 322 HB2 LYS 47 1HB LYS 47 3.203 17.649 -16.645 323 HB3 LYS 47 2HB LYS 47 2.689 17.081 -15.203 324 HG2 LYS 47 1HG LYS 47 0.940 18.581 -16.913 325 HG3 LYS 47 2HG LYS 47 1.073 16.959 -17.051 326 HD2 LYS 47 1HD LYS 47 0.537 17.789 -14.425 327 HD3 LYS 47 2HD LYS 47 -0.664 18.164 -15.466 328 HE2 LYS 47 1HE LYS 47 -1.093 16.041 -14.510 329 HE3 LYS 47 2HE LYS 47 -0.809 15.864 -16.108 330 HZ1 LYS 47 1HZ LYS 47 0.337 14.187 -14.884 331 HZ2 LYS 47 2HZ LYS 47 1.125 15.322 -14.043 332 HZ3 LYS 47 3HZ LYS 47 1.407 15.146 -15.626 333 H CYS 48 H CYS 48 4.325 21.093 -14.409 334 HA CYS 48 HA CYS 48 6.513 19.516 -13.510 335 HB2 CYS 48 1HB CYS 48 8.063 20.429 -14.855 336 HB3 CYS 48 2HB CYS 48 6.802 20.119 -15.845 337 H CYS 49 H CYS 49 8.276 20.819 -12.408 338 HA CYS 49 HA CYS 49 7.082 22.820 -10.784 339 HB2 CYS 49 1HB CYS 49 8.571 21.342 -9.802 340 HB3 CYS 49 2HB CYS 49 9.748 21.803 -10.836 341 H THR 50 H THR 50 7.436 25.053 -10.970 342 HA THR 50 HA THR 50 9.390 25.888 -12.937 343 HB THR 50 HB THR 50 7.926 27.815 -13.426 344 HG1 THR 50 HG1 THR 50 5.638 27.068 -12.820 345 HG21 THR 50 1HG2 THR 50 6.426 26.609 -14.854 346 HG22 THR 50 2HG2 THR 50 6.726 25.242 -14.044 347 HG23 THR 50 3HG2 THR 50 7.886 25.920 -14.944 348 H TRP 51 H TRP 51 10.187 28.205 -12.418 349 HA TRP 51 HA TRP 51 10.557 28.489 -9.621 350 HB2 TRP 51 1HB TRP 51 11.941 29.347 -11.691 351 HB3 TRP 51 2HB TRP 51 11.264 30.722 -11.129 352 HD1 TRP 51 HD1 TRP 51 13.632 28.068 -10.004 353 HE1 TRP 51 HE1 TRP 51 15.073 28.800 -8.090 354 HE3 TRP 51 HE3 TRP 51 11.443 32.499 -9.232 355 HZ2 TRP 51 HZ2 TRP 51 15.154 31.074 -6.431 356 HZ3 TRP 51 HZ3 TRP 51 12.264 33.913 -7.443 357 HH2 TRP 51 HH2 TRP 51 14.102 33.188 -6.053 358 H ASN 52 H ASN 52 9.602 30.171 -8.267 359 HA ASN 52 HA ASN 52 7.016 30.827 -8.967 360 HB2 ASN 52 1HB ASN 52 6.930 32.158 -7.022 361 HB3 ASN 52 2HB ASN 52 7.729 30.774 -6.685 362 HD21 ASN 52 1HD2 ASN 52 10.724 32.228 -5.817 363 HD22 ASN 52 2HD2 ASN 52 9.907 30.751 -6.206 364 H GLY 53 H GLY 53 6.016 32.645 -9.856 365 HA2 GLY 53 1HA GLY 53 5.994 34.709 -10.800 366 HA3 GLY 53 2HA GLY 53 7.572 34.928 -10.440 367 H LEU 54 H LEU 54 7.669 32.140 -12.025 368 HA LEU 54 HA LEU 54 8.338 33.509 -14.419 369 HB2 LEU 54 1HB LEU 54 9.195 31.097 -13.252 370 HB3 LEU 54 2HB LEU 54 9.014 30.961 -14.870 371 HG LEU 54 HG LEU 54 11.247 31.376 -14.266 372 HD11 LEU 54 1HD1 LEU 54 11.692 33.163 -15.837 373 HD12 LEU 54 2HD1 LEU 54 10.124 33.558 -15.820 374 HD13 LEU 54 3HD1 LEU 54 10.594 32.138 -16.436 375 HD21 LEU 54 1HD2 LEU 54 11.930 33.515 -13.382 376 HD22 LEU 54 2HD2 LEU 54 10.981 32.737 -12.329 377 HD23 LEU 54 3HD2 LEU 54 10.377 33.939 -13.225 378 H VAL 55 H VAL 55 7.913 32.705 -16.559 379 HA VAL 55 HA VAL 55 5.192 31.897 -16.834 380 HB VAL 55 HB VAL 55 7.109 32.483 -18.948 381 HG11 VAL 55 1HG1 VAL 55 5.218 32.843 -20.380 382 HG12 VAL 55 2HG1 VAL 55 4.221 32.430 -19.175 383 HG13 VAL 55 3HG1 VAL 55 5.211 31.326 -19.820 384 HG21 VAL 55 1HG2 VAL 55 6.151 34.722 -19.009 385 HG22 VAL 55 2HG2 VAL 55 6.801 34.448 -17.554 386 HG23 VAL 55 3HG2 VAL 55 5.200 34.349 -17.756 387 HA PRO 56 HA PRO 56 6.562 27.767 -17.319 388 HB2 PRO 56 1HB PRO 56 4.313 26.450 -17.835 389 HB3 PRO 56 2HB PRO 56 4.443 27.170 -16.375 390 HG2 PRO 56 1HG PRO 56 3.177 28.190 -18.714 391 HG3 PRO 56 2HG PRO 56 2.563 28.106 -17.203 392 HD2 PRO 56 1HD PRO 56 3.645 30.330 -18.073 393 HD3 PRO 56 2HD PRO 56 3.752 29.923 -16.495 394 H ARG 57 H ARG 57 5.891 29.590 -19.798 395 HA ARG 57 HA ARG 57 6.700 27.570 -21.681 396 HB2 ARG 57 1HB ARG 57 4.808 29.697 -22.184 397 HB3 ARG 57 2HB ARG 57 5.389 28.722 -23.358 398 HG2 ARG 57 1HG ARG 57 4.422 26.950 -21.761 399 HG3 ARG 57 2HG ARG 57 3.401 28.187 -21.456 400 HD2 ARG 57 1HD ARG 57 2.501 26.913 -23.177 401 HD3 ARG 57 2HD ARG 57 2.973 28.347 -23.801 402 HE ARG 57 HE ARG 57 5.058 26.502 -24.018 403 HH11 ARG 57 1HH1 ARG 57 2.004 27.283 -25.583 404 HH12 ARG 57 2HH1 ARG 57 2.502 26.579 -27.085 405 HH21 ARG 57 1HH2 ARG 57 5.625 25.651 -25.960 406 HH22 ARG 57 2HH2 ARG 57 4.520 25.670 -27.293 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 7.819 3.932 -4.377 2 H2 GLY 1 2H GLY 1 7.350 3.426 -5.839 3 H3 GLY 1 3H GLY 1 7.606 2.354 -4.656 4 HA2 GLY 1 1HA GLY 1 5.769 3.225 -3.458 5 HA3 GLY 1 2HA GLY 1 5.510 4.308 -4.653 6 H SER 2 H SER 2 3.265 3.332 -4.618 7 HA SER 2 HA SER 2 2.968 0.727 -5.437 8 HB2 SER 2 1HB SER 2 1.067 1.845 -4.544 9 HB3 SER 2 2HB SER 2 1.093 2.939 -5.756 10 HG SER 2 HG SER 2 0.362 0.300 -5.868 11 HA PRO 3 HA PRO 3 3.886 1.324 -9.650 12 HB2 PRO 3 1HB PRO 3 3.453 -1.088 -10.710 13 HB3 PRO 3 2HB PRO 3 4.739 -0.894 -9.722 14 HG2 PRO 3 1HG PRO 3 2.165 -1.928 -9.057 15 HG3 PRO 3 2HG PRO 3 3.624 -2.554 -8.674 16 HD2 PRO 3 1HD PRO 3 2.306 -1.097 -6.936 17 HD3 PRO 3 2HD PRO 3 3.939 -1.071 -6.965 18 H THR 4 H THR 4 0.835 0.126 -8.721 19 HA THR 4 HA THR 4 -0.276 0.452 -11.251 20 HB THR 4 HB THR 4 -2.448 0.092 -10.044 21 HG1 THR 4 HG1 THR 4 -2.511 0.412 -8.008 22 HG21 THR 4 1HG2 THR 4 -1.955 -2.148 -9.348 23 HG22 THR 4 2HG2 THR 4 -0.373 -1.816 -9.344 24 HG23 THR 4 3HG2 THR 4 -1.186 -1.860 -10.741 25 H PHE 5 H PHE 5 0.282 2.546 -8.707 26 HA PHE 5 HA PHE 5 -1.773 4.349 -9.098 27 HB2 PHE 5 1HB PHE 5 -0.397 4.312 -7.139 28 HB3 PHE 5 2HB PHE 5 0.875 4.824 -8.025 29 HD1 PHE 5 HD1 PHE 5 1.170 7.143 -8.578 30 HD2 PHE 5 HD2 PHE 5 -2.237 5.872 -6.564 31 HE1 PHE 5 HE1 PHE 5 0.721 9.423 -7.912 32 HE2 PHE 5 HE2 PHE 5 -2.762 8.158 -5.994 33 HZ PHE 5 HZ PHE 5 -1.275 9.933 -6.656 34 H CYS 6 H CYS 6 1.191 3.957 -10.739 35 HA CYS 6 HA CYS 6 0.630 6.319 -12.268 36 HB2 CYS 6 1HB CYS 6 3.092 4.985 -11.780 37 HB3 CYS 6 2HB CYS 6 2.963 6.074 -12.991 38 H GLN 7 H GLN 7 -0.126 3.285 -12.537 39 HA GLN 7 HA GLN 7 0.844 2.657 -15.081 40 HB2 GLN 7 1HB GLN 7 -0.867 1.441 -13.264 41 HB3 GLN 7 2HB GLN 7 -1.333 1.185 -14.808 42 HG2 GLN 7 1HG GLN 7 0.875 0.348 -15.262 43 HG3 GLN 7 2HG GLN 7 1.193 0.459 -13.664 44 HE21 GLN 7 1HE2 GLN 7 -0.181 -2.905 -14.917 45 HE22 GLN 7 2HE2 GLN 7 0.790 -1.757 -15.778 46 H GLY 8 H GLY 8 -0.048 2.999 -17.140 47 HA2 GLY 8 1HA GLY 8 -1.516 3.895 -18.614 48 HA3 GLY 8 2HA GLY 8 -2.663 3.941 -17.453 49 H LYS 9 H LYS 9 0.205 5.516 -16.706 50 HA LYS 9 HA LYS 9 -0.947 8.095 -17.334 51 HB2 LYS 9 1HB LYS 9 0.357 7.341 -14.894 52 HB3 LYS 9 2HB LYS 9 0.062 8.900 -15.283 53 HG2 LYS 9 1HG LYS 9 -2.274 8.383 -15.380 54 HG3 LYS 9 2HG LYS 9 -1.928 6.877 -14.852 55 HD2 LYS 9 1HD LYS 9 -0.851 7.909 -12.991 56 HD3 LYS 9 2HD LYS 9 -1.529 9.311 -13.482 57 HE2 LYS 9 1HE LYS 9 -3.684 8.441 -13.164 58 HE3 LYS 9 2HE LYS 9 -3.079 6.957 -12.853 59 HZ1 LYS 9 1HZ LYS 9 -3.694 8.028 -10.837 60 HZ2 LYS 9 2HZ LYS 9 -2.694 9.254 -11.172 61 HZ3 LYS 9 3HZ LYS 9 -2.096 7.784 -10.863 62 H ALA 10 H ALA 10 0.451 9.745 -18.015 63 HA ALA 10 HA ALA 10 2.894 8.861 -19.086 64 HB1 ALA 10 1HB ALA 10 1.699 10.630 -20.183 65 HB2 ALA 10 2HB ALA 10 3.161 11.182 -19.768 66 HB3 ALA 10 3HB ALA 10 1.866 11.578 -18.884 67 H ASP 11 H ASP 11 5.067 9.602 -18.457 68 HA ASP 11 HA ASP 11 5.423 9.824 -15.697 69 HB2 ASP 11 1HB ASP 11 7.226 10.142 -17.896 70 HB3 ASP 11 2HB ASP 11 7.730 10.511 -16.386 71 H GLY 12 H GLY 12 6.043 11.673 -14.415 72 HA2 GLY 12 1HA GLY 12 6.452 14.166 -14.900 73 HA3 GLY 12 2HA GLY 12 4.932 14.100 -15.494 74 H LEU 13 H LEU 13 4.790 15.856 -13.676 75 HA LEU 13 HA LEU 13 4.473 14.571 -11.147 76 HB2 LEU 13 1HB LEU 13 4.397 17.397 -11.711 77 HB3 LEU 13 2HB LEU 13 4.385 16.759 -10.207 78 HG LEU 13 HG LEU 13 6.639 16.845 -11.990 79 HD11 LEU 13 1HD1 LEU 13 7.595 18.209 -10.219 80 HD12 LEU 13 2HD1 LEU 13 6.235 18.044 -9.360 81 HD13 LEU 13 3HD1 LEU 13 6.221 18.883 -10.742 82 HD21 LEU 13 1HD2 LEU 13 7.928 15.727 -10.355 83 HD22 LEU 13 2HD2 LEU 13 6.744 14.767 -10.895 84 HD23 LEU 13 3HD2 LEU 13 6.603 15.494 -9.457 85 H TYR 14 H TYR 14 2.595 14.754 -9.795 86 HA TYR 14 HA TYR 14 0.210 15.488 -11.229 87 HB2 TYR 14 1HB TYR 14 0.728 12.951 -9.931 88 HB3 TYR 14 2HB TYR 14 -0.809 13.419 -10.224 89 HD1 TYR 14 HD1 TYR 14 2.173 12.210 -11.712 90 HD2 TYR 14 HD2 TYR 14 -1.690 13.483 -12.537 91 HE1 TYR 14 HE1 TYR 14 2.378 11.356 -13.961 92 HE2 TYR 14 HE2 TYR 14 -1.496 12.618 -14.788 93 HH TYR 14 HH TYR 14 0.628 10.498 -15.822 94 HA PRO 15 HA PRO 15 -1.063 17.488 -7.669 95 HB2 PRO 15 1HB PRO 15 -3.749 17.257 -7.659 96 HB3 PRO 15 2HB PRO 15 -3.032 18.211 -8.774 97 HG2 PRO 15 1HG PRO 15 -3.848 15.501 -9.072 98 HG3 PRO 15 2HG PRO 15 -4.177 16.759 -10.061 99 HD2 PRO 15 1HD PRO 15 -2.235 15.199 -10.677 100 HD3 PRO 15 2HD PRO 15 -2.035 16.806 -10.889 101 H ASN 16 H ASN 16 -0.990 17.334 -5.649 102 HA ASN 16 HA ASN 16 -1.535 14.739 -4.557 103 HB2 ASN 16 1HB ASN 16 0.424 15.121 -3.165 104 HB3 ASN 16 2HB ASN 16 0.828 15.229 -4.744 105 HD21 ASN 16 1HD2 ASN 16 1.575 18.232 -2.368 106 HD22 ASN 16 2HD2 ASN 16 1.232 16.606 -1.879 107 HA PRO 17 HA PRO 17 -3.756 16.880 -1.589 108 HB2 PRO 17 1HB PRO 17 -4.303 15.022 0.276 109 HB3 PRO 17 2HB PRO 17 -4.826 14.718 -1.240 110 HG2 PRO 17 1HG PRO 17 -2.384 13.827 -0.035 111 HG3 PRO 17 2HG PRO 17 -3.496 12.914 -0.809 112 HD2 PRO 17 1HD PRO 17 -1.375 13.778 -2.072 113 HD3 PRO 17 2HD PRO 17 -2.792 13.593 -2.863 114 H ARG 18 H ARG 18 -0.740 15.884 -0.520 115 HA ARG 18 HA ARG 18 -1.300 16.613 2.115 116 HB2 ARG 18 1HB ARG 18 0.299 14.807 1.462 117 HB3 ARG 18 2HB ARG 18 1.379 15.991 1.148 118 HG2 ARG 18 1HG ARG 18 1.008 16.640 3.547 119 HG3 ARG 18 2HG ARG 18 0.425 15.123 3.707 120 HD2 ARG 18 1HD ARG 18 2.479 14.193 3.205 121 HD3 ARG 18 2HD ARG 18 3.072 15.626 2.696 122 HE ARG 18 HE ARG 18 2.303 15.791 5.383 123 HH11 ARG 18 1HH1 ARG 18 3.830 15.972 6.963 124 HH12 ARG 18 2HH1 ARG 18 5.472 15.505 6.668 125 HH21 ARG 18 1HH2 ARG 18 4.950 14.582 3.392 126 HH22 ARG 18 2HH2 ARG 18 6.095 14.732 4.682 127 H GLU 19 H GLU 19 1.094 17.976 -0.068 128 HA GLU 19 HA GLU 19 0.865 20.385 1.419 129 HB2 GLU 19 1HB GLU 19 3.492 19.261 0.840 130 HB3 GLU 19 2HB GLU 19 3.263 20.678 1.619 131 HG2 GLU 19 1HG GLU 19 2.474 19.569 3.484 132 HG3 GLU 19 2HG GLU 19 2.564 18.137 2.705 133 H ARG 20 H ARG 20 1.477 22.339 0.388 134 HA ARG 20 HA ARG 20 1.464 22.492 -2.374 135 HB2 ARG 20 1HB ARG 20 0.969 24.364 -1.004 136 HB3 ARG 20 2HB ARG 20 2.454 24.304 -0.328 137 HG2 ARG 20 1HG ARG 20 2.359 26.151 -1.715 138 HG3 ARG 20 2HG ARG 20 3.380 25.067 -2.387 139 HD2 ARG 20 1HD ARG 20 1.895 24.526 -4.021 140 HD3 ARG 20 2HD ARG 20 0.644 25.197 -3.213 141 HE ARG 20 HE ARG 20 2.387 27.246 -3.709 142 HH11 ARG 20 1HH1 ARG 20 0.393 25.096 -5.653 143 HH12 ARG 20 2HH1 ARG 20 0.246 26.254 -6.933 144 HH21 ARG 20 1HH2 ARG 20 2.144 28.670 -5.371 145 HH22 ARG 20 2HH2 ARG 20 1.222 28.245 -6.775 146 H SER 21 H SER 21 4.009 22.074 -0.189 147 HA SER 21 HA SER 21 6.054 22.462 -2.091 148 HB2 SER 21 1HB SER 21 7.461 21.868 -0.067 149 HB3 SER 21 2HB SER 21 6.446 23.116 0.219 150 HG SER 21 HG SER 21 4.916 21.403 0.855 151 H SER 22 H SER 22 4.140 19.908 -1.661 152 HA SER 22 HA SER 22 6.252 18.026 -2.307 153 HB2 SER 22 1HB SER 22 5.082 16.305 -1.154 154 HB3 SER 22 2HB SER 22 5.281 17.554 -0.120 155 HG SER 22 HG SER 22 3.011 17.470 -1.613 156 H PHE 23 H PHE 23 5.427 16.064 -3.599 157 HA PHE 23 HA PHE 23 3.073 16.600 -5.048 158 HB2 PHE 23 1HB PHE 23 4.234 16.534 -7.243 159 HB3 PHE 23 2HB PHE 23 4.478 17.908 -6.394 160 HD1 PHE 23 HD1 PHE 23 6.616 18.708 -6.124 161 HD2 PHE 23 HD2 PHE 23 6.087 14.675 -6.959 162 HE1 PHE 23 HE1 PHE 23 9.009 18.441 -6.316 163 HE2 PHE 23 HE2 PHE 23 8.471 14.394 -7.167 164 HZ PHE 23 HZ PHE 23 9.940 16.275 -6.827 165 H TYR 24 H TYR 24 2.628 14.944 -6.823 166 HA TYR 24 HA TYR 24 3.607 12.347 -6.026 167 HB2 TYR 24 1HB TYR 24 1.422 13.126 -7.709 168 HB3 TYR 24 2HB TYR 24 2.010 11.604 -7.785 169 HD1 TYR 24 HD1 TYR 24 2.269 10.636 -5.193 170 HD2 TYR 24 HD2 TYR 24 -0.634 13.197 -6.664 171 HE1 TYR 24 HE1 TYR 24 0.766 9.926 -3.440 172 HE2 TYR 24 HE2 TYR 24 -2.154 12.481 -4.923 173 HH TYR 24 HH TYR 24 -2.580 10.817 -3.356 174 H SER 25 H SER 25 4.923 11.198 -7.611 175 HA SER 25 HA SER 25 5.361 12.571 -10.104 176 HB2 SER 25 1HB SER 25 7.257 13.093 -8.716 177 HB3 SER 25 2HB SER 25 7.531 11.499 -8.494 178 HG SER 25 HG SER 25 8.880 11.970 -10.044 179 H CYS 26 H CYS 26 5.499 11.255 -11.881 180 HA CYS 26 HA CYS 26 5.510 8.406 -11.362 181 HB2 CYS 26 1HB CYS 26 4.317 9.816 -13.517 182 HB3 CYS 26 2HB CYS 26 4.472 8.190 -13.483 183 H ALA 27 H ALA 27 7.318 7.367 -12.047 184 HA ALA 27 HA ALA 27 8.774 8.458 -14.295 185 HB1 ALA 27 1HB ALA 27 9.996 9.259 -12.423 186 HB2 ALA 27 2HB ALA 27 10.876 8.123 -13.165 187 HB3 ALA 27 3HB ALA 27 10.079 7.767 -11.804 188 H ALA 28 H ALA 28 9.243 6.857 -15.753 189 HA ALA 28 HA ALA 28 9.049 4.858 -16.669 190 HB1 ALA 28 1HB ALA 28 11.015 4.296 -15.359 191 HB2 ALA 28 2HB ALA 28 10.118 2.967 -15.570 192 HB3 ALA 28 3HB ALA 28 10.073 3.758 -14.160 193 H GLY 29 H GLY 29 6.717 5.923 -15.361 194 HA2 GLY 29 1HA GLY 29 4.611 5.216 -15.006 195 HA3 GLY 29 2HA GLY 29 5.022 3.728 -15.538 196 H ARG 30 H ARG 30 6.714 5.003 -12.860 197 HA ARG 30 HA ARG 30 5.190 3.313 -11.063 198 HB2 ARG 30 1HB ARG 30 8.041 3.767 -10.857 199 HB3 ARG 30 2HB ARG 30 7.179 2.762 -9.901 200 HG2 ARG 30 1HG ARG 30 7.650 2.314 -12.701 201 HG3 ARG 30 2HG ARG 30 8.470 1.569 -11.501 202 HD2 ARG 30 1HD ARG 30 6.521 0.430 -10.825 203 HD3 ARG 30 2HD ARG 30 5.630 1.246 -11.922 204 HE ARG 30 HE ARG 30 7.452 -0.904 -12.470 205 HH11 ARG 30 1HH1 ARG 30 7.340 -1.865 -14.450 206 HH12 ARG 30 2HH1 ARG 30 6.302 -1.235 -15.685 207 HH21 ARG 30 1HH2 ARG 30 5.130 1.392 -13.807 208 HH22 ARG 30 2HH2 ARG 30 5.079 0.568 -15.329 209 H LEU 31 H LEU 31 4.898 4.061 -8.866 210 HA LEU 31 HA LEU 31 4.874 6.855 -8.796 211 HB2 LEU 31 1HB LEU 31 3.073 5.687 -7.773 212 HB3 LEU 31 2HB LEU 31 4.108 4.894 -6.789 213 HG LEU 31 HG LEU 31 4.455 6.884 -5.543 214 HD11 LEU 31 1HD1 LEU 31 3.174 8.853 -5.950 215 HD12 LEU 31 2HD1 LEU 31 2.544 8.178 -7.277 216 HD13 LEU 31 3HD1 LEU 31 4.122 8.528 -7.219 217 HD21 LEU 31 1HD2 LEU 31 2.295 6.977 -4.502 218 HD22 LEU 31 2HD2 LEU 31 2.702 5.443 -4.808 219 HD23 LEU 31 3HD2 LEU 31 1.650 6.207 -5.769 220 H PHE 32 H PHE 32 6.255 8.280 -8.069 221 HA PHE 32 HA PHE 32 7.913 7.539 -5.813 222 HB2 PHE 32 1HB PHE 32 8.595 9.361 -7.929 223 HB3 PHE 32 2HB PHE 32 9.474 9.211 -6.561 224 HD1 PHE 32 HD1 PHE 32 8.349 7.314 -9.414 225 HD2 PHE 32 HD2 PHE 32 11.208 7.597 -6.416 226 HE1 PHE 32 HE1 PHE 32 9.590 5.534 -10.453 227 HE2 PHE 32 HE2 PHE 32 12.470 5.811 -7.446 228 HZ PHE 32 HZ PHE 32 11.662 4.781 -9.472 229 H GLN 33 H GLN 33 7.469 8.804 -3.949 230 HA GLN 33 HA GLN 33 5.908 11.229 -4.390 231 HB2 GLN 33 1HB GLN 33 5.821 9.388 -2.224 232 HB3 GLN 33 2HB GLN 33 5.316 10.927 -2.015 233 HG2 GLN 33 1HG GLN 33 3.680 10.630 -3.692 234 HG3 GLN 33 2HG GLN 33 4.199 9.100 -3.937 235 HE21 GLN 33 1HE2 GLN 33 1.977 9.959 -0.679 236 HE22 GLN 33 2HE2 GLN 33 2.877 11.192 -1.497 237 H GLN 34 H GLN 34 6.933 13.129 -3.962 238 HA GLN 34 HA GLN 34 9.240 13.066 -2.275 239 HB2 GLN 34 1HB GLN 34 9.308 13.870 -5.061 240 HB3 GLN 34 2HB GLN 34 10.506 14.280 -4.030 241 HG2 GLN 34 1HG GLN 34 11.087 12.015 -3.768 242 HG3 GLN 34 2HG GLN 34 9.851 11.569 -4.738 243 HE21 GLN 34 1HE2 GLN 34 13.358 12.284 -6.323 244 HE22 GLN 34 2HE2 GLN 34 13.056 12.040 -4.635 245 H SER 35 H SER 35 10.208 15.308 -1.981 246 HA SER 35 HA SER 35 8.131 17.305 -2.121 247 HB2 SER 35 1HB SER 35 9.091 18.286 -0.112 248 HB3 SER 35 2HB SER 35 8.529 16.778 0.167 249 HG SER 35 HG SER 35 10.466 16.769 1.059 250 H CYS 36 H CYS 36 8.928 19.542 -2.251 251 HA CYS 36 HA CYS 36 11.407 19.775 -3.764 252 HB2 CYS 36 1HB CYS 36 9.183 19.995 -4.841 253 HB3 CYS 36 2HB CYS 36 9.165 21.456 -4.111 254 HA PRO 37 HA PRO 37 10.918 22.165 -0.049 255 HB2 PRO 37 1HB PRO 37 13.141 21.651 1.405 256 HB3 PRO 37 2HB PRO 37 11.978 20.507 1.329 257 HG2 PRO 37 1HG PRO 37 14.323 20.712 -0.298 258 HG3 PRO 37 2HG PRO 37 13.793 19.401 0.519 259 HD2 PRO 37 1HD PRO 37 13.235 19.629 -2.002 260 HD3 PRO 37 2HD PRO 37 12.115 18.997 -0.994 261 H THR 38 H THR 38 13.715 22.541 -1.947 262 HA THR 38 HA THR 38 14.366 24.893 -0.577 263 HB THR 38 HB THR 38 15.844 24.865 -2.871 264 HG1 THR 38 HG1 THR 38 14.732 22.523 -2.507 265 HG21 THR 38 1HG2 THR 38 17.598 24.075 -1.446 266 HG22 THR 38 2HG2 THR 38 16.513 23.621 -0.336 267 HG23 THR 38 3HG2 THR 38 16.746 25.191 -0.643 268 H GLY 39 H GLY 39 12.525 26.185 -0.701 269 HA2 GLY 39 1HA GLY 39 11.787 28.153 -1.454 270 HA3 GLY 39 2HA GLY 39 12.988 28.180 -2.559 271 H LEU 40 H LEU 40 11.127 25.527 -3.175 272 HA LEU 40 HA LEU 40 9.695 27.005 -5.193 273 HB2 LEU 40 1HB LEU 40 10.912 24.408 -5.536 274 HB3 LEU 40 2HB LEU 40 10.085 25.192 -6.706 275 HG LEU 40 HG LEU 40 12.636 26.058 -5.705 276 HD11 LEU 40 1HD1 LEU 40 13.505 25.210 -7.813 277 HD12 LEU 40 2HD1 LEU 40 12.029 24.677 -8.203 278 HD13 LEU 40 3HD1 LEU 40 12.833 24.002 -6.973 279 HD21 LEU 40 1HD2 LEU 40 12.701 27.560 -7.537 280 HD22 LEU 40 2HD2 LEU 40 11.445 27.895 -6.575 281 HD23 LEU 40 3HD2 LEU 40 11.210 27.110 -7.969 282 H VAL 41 H VAL 41 7.800 25.864 -6.195 283 HA VAL 41 HA VAL 41 6.562 24.118 -4.302 284 HB VAL 41 HB VAL 41 4.442 25.340 -4.534 285 HG11 VAL 41 1HG1 VAL 41 5.020 27.248 -3.164 286 HG12 VAL 41 2HG1 VAL 41 6.583 27.029 -3.518 287 HG13 VAL 41 3HG1 VAL 41 5.793 25.930 -2.634 288 HG21 VAL 41 1HG2 VAL 41 4.428 27.506 -5.597 289 HG22 VAL 41 2HG2 VAL 41 4.817 26.362 -6.671 290 HG23 VAL 41 3HG2 VAL 41 5.971 27.301 -6.038 291 H PHE 42 H PHE 42 4.678 22.822 -5.165 292 HA PHE 42 HA PHE 42 5.187 22.085 -7.802 293 HB2 PHE 42 1HB PHE 42 4.342 20.435 -6.369 294 HB3 PHE 42 2HB PHE 42 2.996 21.313 -6.082 295 HD1 PHE 42 HD1 PHE 42 4.605 20.309 -9.196 296 HD2 PHE 42 HD2 PHE 42 1.128 20.166 -6.916 297 HE1 PHE 42 HE1 PHE 42 3.461 19.240 -11.017 298 HE2 PHE 42 HE2 PHE 42 -0.018 19.066 -8.735 299 HZ PHE 42 HZ PHE 42 1.152 18.597 -10.787 300 H SER 43 H SER 43 4.450 22.932 -9.693 301 HA SER 43 HA SER 43 2.150 24.658 -9.546 302 HB2 SER 43 1HB SER 43 4.049 25.760 -10.456 303 HB3 SER 43 2HB SER 43 4.188 24.608 -11.606 304 HG SER 43 HG SER 43 3.097 25.992 -12.705 305 H ASN 44 H ASN 44 0.301 23.691 -10.015 306 HA ASN 44 HA ASN 44 0.262 21.300 -11.346 307 HB2 ASN 44 1HB ASN 44 -1.572 22.842 -9.983 308 HB3 ASN 44 2HB ASN 44 -2.286 22.413 -11.387 309 HD21 ASN 44 1HD2 ASN 44 -2.525 19.957 -8.442 310 HD22 ASN 44 2HD2 ASN 44 -2.324 21.676 -8.370 311 H SER 45 H SER 45 0.195 24.392 -12.656 312 HA SER 45 HA SER 45 -1.323 23.790 -14.904 313 HB2 SER 45 1HB SER 45 -0.289 25.931 -15.763 314 HB3 SER 45 2HB SER 45 -1.093 26.082 -14.349 315 HG SER 45 HG SER 45 0.730 26.185 -13.236 316 H CYS 46 H CYS 46 2.115 23.841 -14.396 317 HA CYS 46 HA CYS 46 2.475 22.842 -17.063 318 HB2 CYS 46 1HB CYS 46 4.589 23.630 -17.049 319 HB3 CYS 46 2HB CYS 46 3.669 24.798 -16.372 320 H LYS 47 H LYS 47 2.228 21.719 -14.070 321 HA LYS 47 HA LYS 47 2.766 19.848 -13.042 322 HB2 LYS 47 1HB LYS 47 3.505 18.623 -15.552 323 HB3 LYS 47 2HB LYS 47 3.059 17.821 -14.201 324 HG2 LYS 47 1HG LYS 47 1.287 19.444 -15.785 325 HG3 LYS 47 2HG LYS 47 1.321 17.811 -15.814 326 HD2 LYS 47 1HD LYS 47 0.602 17.757 -13.550 327 HD3 LYS 47 2HD LYS 47 0.563 19.389 -13.525 328 HE2 LYS 47 1HE LYS 47 -1.089 19.312 -15.285 329 HE3 LYS 47 2HE LYS 47 -1.124 17.688 -15.119 330 HZ1 LYS 47 1HZ LYS 47 -2.893 18.672 -13.892 331 HZ2 LYS 47 2HZ LYS 47 -1.831 19.548 -13.045 332 HZ3 LYS 47 3HZ LYS 47 -1.866 17.940 -12.881 333 H CYS 48 H CYS 48 4.678 21.800 -13.067 334 HA CYS 48 HA CYS 48 7.074 20.239 -12.788 335 HB2 CYS 48 1HB CYS 48 7.543 22.956 -13.089 336 HB3 CYS 48 2HB CYS 48 8.312 21.704 -13.802 337 H CYS 49 H CYS 49 8.686 21.202 -11.153 338 HA CYS 49 HA CYS 49 7.298 22.545 -9.007 339 HB2 CYS 49 1HB CYS 49 8.631 20.719 -8.450 340 HB3 CYS 49 2HB CYS 49 9.940 21.515 -9.017 341 H THR 50 H THR 50 7.461 24.802 -8.878 342 HA THR 50 HA THR 50 9.709 26.073 -10.074 343 HB THR 50 HB THR 50 8.057 25.853 -11.907 344 HG1 THR 50 HG1 THR 50 9.517 27.362 -12.292 345 HG21 THR 50 1HG2 THR 50 6.167 27.296 -11.884 346 HG22 THR 50 2HG2 THR 50 6.547 27.803 -10.396 347 HG23 THR 50 3HG2 THR 50 6.062 26.279 -10.631 348 H TRP 51 H TRP 51 9.501 28.605 -9.888 349 HA TRP 51 HA TRP 51 9.363 29.206 -7.241 350 HB2 TRP 51 1HB TRP 51 8.940 31.152 -9.360 351 HB3 TRP 51 2HB TRP 51 9.600 31.475 -7.902 352 HD1 TRP 51 HD1 TRP 51 12.143 30.600 -7.527 353 HE1 TRP 51 HE1 TRP 51 14.067 30.152 -9.071 354 HE3 TRP 51 HE3 TRP 51 9.508 30.452 -11.775 355 HZ2 TRP 51 HZ2 TRP 51 14.319 29.754 -11.853 356 HZ3 TRP 51 HZ3 TRP 51 10.668 30.028 -13.861 357 HH2 TRP 51 HH2 TRP 51 13.058 29.686 -13.885 358 H ASN 52 H ASN 52 7.921 30.407 -5.874 359 HA ASN 52 HA ASN 52 5.257 29.784 -6.464 360 HB2 ASN 52 1HB ASN 52 6.213 29.625 -4.197 361 HB3 ASN 52 2HB ASN 52 6.188 31.257 -4.129 362 HD21 ASN 52 1HD2 ASN 52 3.072 31.323 -2.702 363 HD22 ASN 52 2HD2 ASN 52 4.664 31.995 -2.812 364 H GLY 53 H GLY 53 5.462 31.327 -8.451 365 HA2 GLY 53 1HA GLY 53 4.339 33.050 -9.363 366 HA3 GLY 53 2HA GLY 53 3.563 33.286 -7.945 367 H LEU 54 H LEU 54 6.966 33.653 -8.650 368 HA LEU 54 HA LEU 54 7.121 36.142 -7.403 369 HB2 LEU 54 1HB LEU 54 8.971 34.602 -7.813 370 HB3 LEU 54 2HB LEU 54 9.002 35.166 -9.345 371 HG LEU 54 HG LEU 54 9.295 37.081 -7.270 372 HD11 LEU 54 1HD1 LEU 54 11.660 36.605 -7.088 373 HD12 LEU 54 2HD1 LEU 54 11.474 35.325 -8.058 374 HD13 LEU 54 3HD1 LEU 54 10.800 35.330 -6.588 375 HD21 LEU 54 1HD2 LEU 54 10.742 38.175 -8.806 376 HD22 LEU 54 2HD2 LEU 54 9.306 37.889 -9.493 377 HD23 LEU 54 3HD2 LEU 54 10.573 36.950 -9.849 378 H VAL 55 H VAL 55 6.616 38.180 -8.072 379 HA VAL 55 HA VAL 55 6.219 38.573 -10.918 380 HB VAL 55 HB VAL 55 4.750 39.942 -8.811 381 HG11 VAL 55 1HG1 VAL 55 3.399 40.904 -10.558 382 HG12 VAL 55 2HG1 VAL 55 4.324 40.187 -11.674 383 HG13 VAL 55 3HG1 VAL 55 4.941 41.356 -10.742 384 HG21 VAL 55 1HG2 VAL 55 2.819 38.683 -9.560 385 HG22 VAL 55 2HG2 VAL 55 3.971 37.668 -9.054 386 HG23 VAL 55 3HG2 VAL 55 3.742 37.906 -10.636 387 HA PRO 56 HA PRO 56 9.388 41.478 -10.063 388 HB2 PRO 56 1HB PRO 56 10.012 42.363 -12.487 389 HB3 PRO 56 2HB PRO 56 10.250 40.774 -12.194 390 HG2 PRO 56 1HG PRO 56 8.004 42.000 -13.445 391 HG3 PRO 56 2HG PRO 56 8.866 40.718 -13.974 392 HD2 PRO 56 1HD PRO 56 6.613 40.383 -12.649 393 HD3 PRO 56 2HD PRO 56 7.814 39.280 -12.555 394 H ARG 57 H ARG 57 6.437 42.399 -10.551 395 HA ARG 57 HA ARG 57 7.055 45.220 -10.372 396 HB2 ARG 57 1HB ARG 57 4.756 44.084 -11.710 397 HB3 ARG 57 2HB ARG 57 4.968 45.687 -11.478 398 HG2 ARG 57 1HG ARG 57 6.739 44.140 -13.126 399 HG3 ARG 57 2HG ARG 57 5.431 44.905 -13.733 400 HD2 ARG 57 1HD ARG 57 7.143 46.367 -14.149 401 HD3 ARG 57 2HD ARG 57 6.451 46.983 -12.804 402 HE ARG 57 HE ARG 57 8.373 45.314 -11.888 403 HH11 ARG 57 1HH1 ARG 57 8.367 48.244 -13.842 404 HH12 ARG 57 2HH1 ARG 57 9.957 48.684 -13.316 405 HH21 ARG 57 1HH2 ARG 57 10.355 45.927 -11.273 406 HH22 ARG 57 2HH2 ARG 57 11.068 47.385 -11.877 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 -2.564 -7.053 -5.590 2 H2 GLY 1 2H GLY 1 -2.016 -6.387 -6.957 3 H3 GLY 1 3H GLY 1 -3.147 -5.629 -6.085 4 HA2 GLY 1 1HA GLY 1 -1.593 -5.307 -4.335 5 HA3 GLY 1 2HA GLY 1 -0.451 -6.073 -5.216 6 H SER 2 H SER 2 0.810 -4.094 -4.827 7 HA SER 2 HA SER 2 1.654 -2.230 -5.634 8 HB2 SER 2 1HB SER 2 1.364 -3.226 -7.859 9 HB3 SER 2 2HB SER 2 -0.015 -2.364 -8.013 10 HG SER 2 HG SER 2 2.537 -1.568 -8.285 11 HA PRO 3 HA PRO 3 -0.984 1.001 -4.515 12 HB2 PRO 3 1HB PRO 3 0.617 2.881 -6.186 13 HB3 PRO 3 2HB PRO 3 0.253 3.124 -4.613 14 HG2 PRO 3 1HG PRO 3 2.593 2.394 -5.174 15 HG3 PRO 3 2HG PRO 3 1.857 1.673 -3.906 16 HD2 PRO 3 1HD PRO 3 2.155 0.608 -6.577 17 HD3 PRO 3 2HD PRO 3 2.428 -0.173 -5.169 18 H THR 4 H THR 4 -0.456 0.547 -7.772 19 HA THR 4 HA THR 4 -1.671 0.931 -9.542 20 HB THR 4 HB THR 4 -4.253 1.404 -8.368 21 HG1 THR 4 HG1 THR 4 -3.463 0.213 -6.717 22 HG21 THR 4 1HG2 THR 4 -4.871 -0.476 -9.721 23 HG22 THR 4 2HG2 THR 4 -3.314 -0.785 -10.030 24 HG23 THR 4 3HG2 THR 4 -4.010 0.544 -10.634 25 H PHE 5 H PHE 5 -1.155 3.311 -7.599 26 HA PHE 5 HA PHE 5 -2.756 5.371 -8.469 27 HB2 PHE 5 1HB PHE 5 -1.446 5.342 -6.356 28 HB3 PHE 5 2HB PHE 5 -0.074 5.471 -7.233 29 HD1 PHE 5 HD1 PHE 5 0.760 7.553 -7.890 30 HD2 PHE 5 HD2 PHE 5 -3.034 7.330 -6.243 31 HE1 PHE 5 HE1 PHE 5 0.780 9.940 -7.626 32 HE2 PHE 5 HE2 PHE 5 -3.041 9.761 -6.013 33 HZ PHE 5 HZ PHE 5 -1.104 11.040 -6.685 34 H CYS 6 H CYS 6 0.308 4.353 -9.707 35 HA CYS 6 HA CYS 6 0.244 6.586 -11.506 36 HB2 CYS 6 1HB CYS 6 2.279 5.218 -10.305 37 HB3 CYS 6 2HB CYS 6 2.514 5.224 -11.921 38 H GLN 7 H GLN 7 -0.796 3.525 -11.525 39 HA GLN 7 HA GLN 7 0.296 2.677 -13.951 40 HB2 GLN 7 1HB GLN 7 -1.984 1.683 -12.549 41 HB3 GLN 7 2HB GLN 7 -1.343 0.948 -13.859 42 HG2 GLN 7 1HG GLN 7 0.724 0.670 -12.605 43 HG3 GLN 7 2HG GLN 7 -0.053 1.242 -11.287 44 HE21 GLN 7 1HE2 GLN 7 -0.549 -2.086 -10.386 45 HE22 GLN 7 2HE2 GLN 7 0.242 -0.587 -10.030 46 H GLY 8 H GLY 8 -0.273 3.155 -15.979 47 HA2 GLY 8 1HA GLY 8 -1.693 3.716 -17.643 48 HA3 GLY 8 2HA GLY 8 -2.918 3.916 -16.581 49 H LYS 9 H LYS 9 -0.736 5.696 -15.170 50 HA LYS 9 HA LYS 9 -1.623 8.112 -16.350 51 HB2 LYS 9 1HB LYS 9 -0.028 7.635 -13.975 52 HB3 LYS 9 2HB LYS 9 -0.307 9.156 -14.499 53 HG2 LYS 9 1HG LYS 9 -2.696 8.636 -14.310 54 HG3 LYS 9 2HG LYS 9 -2.245 7.303 -13.481 55 HD2 LYS 9 1HD LYS 9 -1.113 8.660 -11.972 56 HD3 LYS 9 2HD LYS 9 -1.648 9.974 -12.781 57 HE2 LYS 9 1HE LYS 9 -3.839 9.560 -12.166 58 HE3 LYS 9 2HE LYS 9 -3.465 8.068 -11.619 59 HZ1 LYS 9 1HZ LYS 9 -3.661 9.577 -9.804 60 HZ2 LYS 9 2HZ LYS 9 -2.512 10.512 -10.451 61 HZ3 LYS 9 3HZ LYS 9 -2.141 9.034 -9.910 62 H ALA 10 H ALA 10 -0.372 9.761 -17.231 63 HA ALA 10 HA ALA 10 1.882 8.872 -18.636 64 HB1 ALA 10 1HB ALA 10 0.369 10.513 -19.641 65 HB2 ALA 10 2HB ALA 10 1.841 11.178 -19.554 66 HB3 ALA 10 3HB ALA 10 0.710 11.571 -18.467 67 H ASP 11 H ASP 11 4.087 9.728 -18.484 68 HA ASP 11 HA ASP 11 5.011 10.143 -15.929 69 HB2 ASP 11 1HB ASP 11 6.170 10.477 -18.531 70 HB3 ASP 11 2HB ASP 11 7.009 11.070 -17.262 71 H GLY 12 H GLY 12 5.810 12.117 -14.808 72 HA2 GLY 12 1HA GLY 12 5.905 14.626 -15.361 73 HA3 GLY 12 2HA GLY 12 4.302 14.447 -15.614 74 H LEU 13 H LEU 13 4.259 16.179 -13.802 75 HA LEU 13 HA LEU 13 4.452 14.870 -11.240 76 HB2 LEU 13 1HB LEU 13 4.734 17.664 -11.812 77 HB3 LEU 13 2HB LEU 13 4.743 17.050 -10.299 78 HG LEU 13 HG LEU 13 6.880 16.921 -12.213 79 HD11 LEU 13 1HD1 LEU 13 8.006 18.036 -10.336 80 HD12 LEU 13 2HD1 LEU 13 6.668 17.872 -9.443 81 HD13 LEU 13 3HD1 LEU 13 6.673 18.869 -10.716 82 HD21 LEU 13 1HD2 LEU 13 8.130 15.583 -10.813 83 HD22 LEU 13 2HD2 LEU 13 6.822 14.791 -11.338 84 HD23 LEU 13 3HD2 LEU 13 6.860 15.383 -9.834 85 H TYR 14 H TYR 14 2.862 14.921 -9.772 86 HA TYR 14 HA TYR 14 0.371 16.085 -10.623 87 HB2 TYR 14 1HB TYR 14 0.664 13.460 -9.417 88 HB3 TYR 14 2HB TYR 14 -0.779 14.145 -9.759 89 HD1 TYR 14 HD1 TYR 14 2.205 12.826 -11.336 90 HD2 TYR 14 HD2 TYR 14 -1.765 13.916 -11.933 91 HE1 TYR 14 HE1 TYR 14 2.325 12.020 -13.642 92 HE2 TYR 14 HE2 TYR 14 -1.653 13.097 -14.188 93 HH TYR 14 HH TYR 14 0.254 11.063 -15.323 94 HA PRO 15 HA PRO 15 0.657 17.863 -6.807 95 HB2 PRO 15 1HB PRO 15 -1.816 18.672 -6.123 96 HB3 PRO 15 2HB PRO 15 -1.077 19.388 -7.391 97 HG2 PRO 15 1HG PRO 15 -2.987 17.268 -7.447 98 HG3 PRO 15 2HG PRO 15 -2.950 18.608 -8.380 99 HD2 PRO 15 1HD PRO 15 -2.007 16.331 -9.297 100 HD3 PRO 15 2HD PRO 15 -1.327 17.744 -9.755 101 H ASN 16 H ASN 16 0.735 17.695 -4.639 102 HA ASN 16 HA ASN 16 -0.324 15.273 -3.560 103 HB2 ASN 16 1HB ASN 16 1.917 16.088 -3.066 104 HB3 ASN 16 2HB ASN 16 1.246 17.356 -2.286 105 HD21 ASN 16 1HD2 ASN 16 2.156 14.257 -0.226 106 HD22 ASN 16 2HD2 ASN 16 2.774 14.661 -1.792 107 HA PRO 17 HA PRO 17 -3.719 17.485 -2.009 108 HB2 PRO 17 1HB PRO 17 -5.009 15.647 -0.536 109 HB3 PRO 17 2HB PRO 17 -4.932 15.407 -2.149 110 HG2 PRO 17 1HG PRO 17 -3.154 14.281 -0.141 111 HG3 PRO 17 2HG PRO 17 -3.893 13.473 -1.352 112 HD2 PRO 17 1HD PRO 17 -1.458 14.251 -1.564 113 HD3 PRO 17 2HD PRO 17 -2.436 14.176 -2.870 114 H ARG 18 H ARG 18 -1.456 16.304 0.160 115 HA ARG 18 HA ARG 18 -2.757 17.598 2.405 116 HB2 ARG 18 1HB ARG 18 -2.128 15.258 2.583 117 HB3 ARG 18 2HB ARG 18 -0.571 15.751 2.602 118 HG2 ARG 18 1HG ARG 18 -1.193 17.081 4.605 119 HG3 ARG 18 2HG ARG 18 -2.546 16.167 4.652 120 HD2 ARG 18 1HD ARG 18 -1.311 14.239 4.962 121 HD3 ARG 18 2HD ARG 18 0.088 15.036 4.689 122 HE ARG 18 HE ARG 18 -1.206 16.165 6.876 123 HH11 ARG 18 1HH1 ARG 18 -0.430 15.869 8.912 124 HH12 ARG 18 2HH1 ARG 18 0.608 14.533 9.286 125 HH21 ARG 18 1HH2 ARG 18 0.652 13.260 6.093 126 HH22 ARG 18 2HH2 ARG 18 1.208 13.088 7.725 127 H GLU 19 H GLU 19 0.323 17.409 0.875 128 HA GLU 19 HA GLU 19 1.100 19.898 2.104 129 HB2 GLU 19 1HB GLU 19 2.638 17.813 0.860 130 HB3 GLU 19 2HB GLU 19 3.298 19.298 1.026 131 HG2 GLU 19 1HG GLU 19 4.098 18.084 2.819 132 HG3 GLU 19 2HG GLU 19 2.944 19.052 3.450 133 H ARG 20 H ARG 20 2.191 21.567 0.663 134 HA ARG 20 HA ARG 20 1.163 21.288 -1.980 135 HB2 ARG 20 1HB ARG 20 0.867 23.746 -2.101 136 HB3 ARG 20 2HB ARG 20 -0.047 23.075 -0.926 137 HG2 ARG 20 1HG ARG 20 2.458 24.075 -0.082 138 HG3 ARG 20 2HG ARG 20 1.359 25.200 -0.523 139 HD2 ARG 20 1HD ARG 20 -0.176 24.287 1.052 140 HD3 ARG 20 2HD ARG 20 0.964 23.214 1.518 141 HE ARG 20 HE ARG 20 1.977 25.752 1.857 142 HH11 ARG 20 1HH1 ARG 20 -0.315 23.544 3.339 143 HH12 ARG 20 2HH1 ARG 20 -0.212 24.336 4.875 144 HH21 ARG 20 1HH2 ARG 20 2.051 26.742 3.824 145 HH22 ARG 20 2HH2 ARG 20 1.118 26.135 5.151 146 H SER 21 H SER 21 4.028 21.553 -0.500 147 HA SER 21 HA SER 21 5.246 22.788 -2.823 148 HB2 SER 21 1HB SER 21 5.833 23.428 -0.454 149 HB3 SER 21 2HB SER 21 6.874 22.178 -0.595 150 HG SER 21 HG SER 21 8.050 23.201 -1.974 151 H SER 22 H SER 22 4.219 19.937 -2.069 152 HA SER 22 HA SER 22 6.501 18.456 -3.065 153 HB2 SER 22 1HB SER 22 5.954 16.612 -1.741 154 HB3 SER 22 2HB SER 22 6.018 17.906 -0.747 155 HG SER 22 HG SER 22 3.615 17.235 -1.801 156 H PHE 23 H PHE 23 5.866 16.348 -4.098 157 HA PHE 23 HA PHE 23 3.366 16.582 -5.449 158 HB2 PHE 23 1HB PHE 23 4.601 16.396 -7.617 159 HB3 PHE 23 2HB PHE 23 4.788 17.844 -6.884 160 HD1 PHE 23 HD1 PHE 23 6.882 18.662 -6.372 161 HD2 PHE 23 HD2 PHE 23 6.423 14.658 -7.320 162 HE1 PHE 23 HE1 PHE 23 9.323 18.361 -6.355 163 HE2 PHE 23 HE2 PHE 23 8.777 14.355 -7.264 164 HZ PHE 23 HZ PHE 23 10.238 16.192 -6.910 165 H TYR 24 H TYR 24 2.839 14.785 -6.810 166 HA TYR 24 HA TYR 24 4.175 12.379 -6.065 167 HB2 TYR 24 1HB TYR 24 1.931 12.749 -7.773 168 HB3 TYR 24 2HB TYR 24 2.604 11.293 -7.464 169 HD1 TYR 24 HD1 TYR 24 2.534 10.401 -5.088 170 HD2 TYR 24 HD2 TYR 24 0.304 13.665 -6.319 171 HE1 TYR 24 HE1 TYR 24 1.145 10.185 -3.126 172 HE2 TYR 24 HE2 TYR 24 -1.108 13.418 -4.371 173 HH TYR 24 HH TYR 24 -1.860 11.741 -2.845 174 H SER 25 H SER 25 5.735 11.491 -7.556 175 HA SER 25 HA SER 25 5.878 12.823 -10.149 176 HB2 SER 25 1HB SER 25 7.895 13.215 -9.037 177 HB3 SER 25 2HB SER 25 8.038 11.638 -8.638 178 HG SER 25 HG SER 25 9.380 11.891 -10.274 179 H CYS 26 H CYS 26 5.526 11.607 -11.943 180 HA CYS 26 HA CYS 26 5.459 8.720 -11.558 181 HB2 CYS 26 1HB CYS 26 3.491 10.146 -12.278 182 HB3 CYS 26 2HB CYS 26 4.186 9.940 -13.742 183 H ALA 27 H ALA 27 7.016 7.617 -12.531 184 HA ALA 27 HA ALA 27 8.223 8.668 -14.935 185 HB1 ALA 27 1HB ALA 27 9.638 9.474 -13.192 186 HB2 ALA 27 2HB ALA 27 10.439 8.378 -14.070 187 HB3 ALA 27 3HB ALA 27 9.828 7.969 -12.630 188 H ALA 28 H ALA 28 8.392 7.169 -16.467 189 HA ALA 28 HA ALA 28 8.063 5.169 -17.387 190 HB1 ALA 28 1HB ALA 28 10.310 4.825 -16.632 191 HB2 ALA 28 2HB ALA 28 9.523 3.413 -16.664 192 HB3 ALA 28 3HB ALA 28 9.756 4.176 -15.258 193 H GLY 29 H GLY 29 5.991 5.974 -15.779 194 HA2 GLY 29 1HA GLY 29 4.063 5.120 -15.053 195 HA3 GLY 29 2HA GLY 29 4.560 3.620 -15.465 196 H ARG 30 H ARG 30 6.741 4.940 -13.277 197 HA ARG 30 HA ARG 30 5.514 3.450 -11.106 198 HB2 ARG 30 1HB ARG 30 8.296 4.110 -11.398 199 HB3 ARG 30 2HB ARG 30 7.670 3.182 -10.209 200 HG2 ARG 30 1HG ARG 30 7.738 2.394 -13.001 201 HG3 ARG 30 2HG ARG 30 8.777 1.835 -11.872 202 HD2 ARG 30 1HD ARG 30 7.005 0.709 -10.741 203 HD3 ARG 30 2HD ARG 30 5.904 1.360 -11.756 204 HE ARG 30 HE ARG 30 6.382 -0.160 -13.359 205 HH11 ARG 30 1HH1 ARG 30 8.737 -0.349 -10.774 206 HH12 ARG 30 2HH1 ARG 30 9.422 -1.828 -11.362 207 HH21 ARG 30 1HH2 ARG 30 7.280 -2.071 -14.071 208 HH22 ARG 30 2HH2 ARG 30 8.601 -2.791 -13.213 209 H LEU 31 H LEU 31 5.464 4.301 -9.007 210 HA LEU 31 HA LEU 31 5.361 7.131 -9.013 211 HB2 LEU 31 1HB LEU 31 3.424 5.956 -8.202 212 HB3 LEU 31 2HB LEU 31 4.346 5.152 -7.120 213 HG LEU 31 HG LEU 31 4.696 7.232 -5.952 214 HD11 LEU 31 1HD1 LEU 31 3.320 9.116 -6.479 215 HD12 LEU 31 2HD1 LEU 31 2.732 8.330 -7.764 216 HD13 LEU 31 3HD1 LEU 31 4.289 8.763 -7.725 217 HD21 LEU 31 1HD2 LEU 31 2.497 7.293 -4.931 218 HD22 LEU 31 2HD2 LEU 31 2.950 5.759 -5.164 219 HD23 LEU 31 3HD2 LEU 31 1.895 6.452 -6.174 220 H PHE 32 H PHE 32 6.464 8.556 -8.058 221 HA PHE 32 HA PHE 32 8.242 7.755 -5.901 222 HB2 PHE 32 1HB PHE 32 8.738 9.789 -7.897 223 HB3 PHE 32 2HB PHE 32 9.713 9.517 -6.615 224 HD1 PHE 32 HD1 PHE 32 8.425 7.777 -9.529 225 HD2 PHE 32 HD2 PHE 32 11.550 8.150 -6.774 226 HE1 PHE 32 HE1 PHE 32 9.709 6.176 -10.805 227 HE2 PHE 32 HE2 PHE 32 12.893 6.584 -8.104 228 HZ PHE 32 HZ PHE 32 11.949 5.602 -10.072 229 H GLN 33 H GLN 33 8.247 9.266 -4.065 230 HA GLN 33 HA GLN 33 6.284 11.393 -4.338 231 HB2 GLN 33 1HB GLN 33 6.462 9.576 -2.131 232 HB3 GLN 33 2HB GLN 33 5.567 10.942 -2.099 233 HG2 GLN 33 1HG GLN 33 4.082 10.066 -3.756 234 HG3 GLN 33 2HG GLN 33 5.032 8.753 -3.962 235 HE21 GLN 33 1HE2 GLN 33 3.959 7.092 -1.071 236 HE22 GLN 33 2HE2 GLN 33 5.264 7.221 -2.203 237 H GLN 34 H GLN 34 7.492 13.225 -4.400 238 HA GLN 34 HA GLN 34 9.339 13.518 -2.238 239 HB2 GLN 34 1HB GLN 34 10.090 13.981 -4.983 240 HB3 GLN 34 2HB GLN 34 11.002 14.515 -3.737 241 HG2 GLN 34 1HG GLN 34 10.909 12.039 -3.083 242 HG3 GLN 34 2HG GLN 34 10.702 11.859 -4.693 243 HE21 GLN 34 1HE2 GLN 34 14.049 12.070 -5.483 244 HE22 GLN 34 2HE2 GLN 34 12.464 11.508 -5.898 245 H SER 35 H SER 35 10.391 15.843 -2.206 246 HA SER 35 HA SER 35 8.250 17.662 -2.744 247 HB2 SER 35 1HB SER 35 9.184 19.061 -0.960 248 HB3 SER 35 2HB SER 35 8.718 17.594 -0.414 249 HG SER 35 HG SER 35 10.686 17.736 0.413 250 H CYS 36 H CYS 36 8.794 19.933 -3.263 251 HA CYS 36 HA CYS 36 11.341 20.212 -4.672 252 HB2 CYS 36 1HB CYS 36 8.809 20.773 -5.433 253 HB3 CYS 36 2HB CYS 36 9.689 22.148 -5.387 254 HA PRO 37 HA PRO 37 10.776 22.713 -1.145 255 HB2 PRO 37 1HB PRO 37 13.009 22.377 0.365 256 HB3 PRO 37 2HB PRO 37 11.985 21.114 0.217 257 HG2 PRO 37 1HG PRO 37 14.374 21.618 -1.228 258 HG3 PRO 37 2HG PRO 37 13.849 20.201 -0.609 259 HD2 PRO 37 1HD PRO 37 13.502 20.862 -3.197 260 HD3 PRO 37 2HD PRO 37 12.562 19.759 -2.443 261 H THR 38 H THR 38 14.157 23.429 -1.913 262 HA THR 38 HA THR 38 13.531 26.013 -0.916 263 HB THR 38 HB THR 38 16.029 26.337 -1.562 264 HG1 THR 38 HG1 THR 38 15.568 23.663 -1.716 265 HG21 THR 38 1HG2 THR 38 16.609 25.603 0.672 266 HG22 THR 38 2HG2 THR 38 15.203 24.812 0.784 267 HG23 THR 38 3HG2 THR 38 15.220 26.428 0.736 268 H GLY 39 H GLY 39 12.716 27.640 -2.041 269 HA2 GLY 39 1HA GLY 39 12.741 29.149 -3.683 270 HA3 GLY 39 2HA GLY 39 14.020 28.409 -4.377 271 H LEU 40 H LEU 40 11.265 26.496 -3.816 272 HA LEU 40 HA LEU 40 10.554 26.713 -6.545 273 HB2 LEU 40 1HB LEU 40 11.213 24.219 -5.196 274 HB3 LEU 40 2HB LEU 40 10.582 24.240 -6.703 275 HG LEU 40 HG LEU 40 13.194 25.320 -6.154 276 HD11 LEU 40 1HD1 LEU 40 14.033 23.165 -6.928 277 HD12 LEU 40 2HD1 LEU 40 12.514 22.626 -7.062 278 HD13 LEU 40 3HD1 LEU 40 13.133 22.948 -5.603 279 HD21 LEU 40 1HD2 LEU 40 13.580 25.106 -8.481 280 HD22 LEU 40 2HD2 LEU 40 12.310 26.072 -8.218 281 HD23 LEU 40 3HD2 LEU 40 12.079 24.544 -8.694 282 H VAL 41 H VAL 41 8.557 25.815 -7.286 283 HA VAL 41 HA VAL 41 6.734 25.056 -5.210 284 HB VAL 41 HB VAL 41 4.992 26.506 -6.063 285 HG11 VAL 41 1HG1 VAL 41 5.745 28.515 -5.041 286 HG12 VAL 41 2HG1 VAL 41 7.256 27.939 -5.031 287 HG13 VAL 41 3HG1 VAL 41 6.113 27.227 -4.135 288 HG21 VAL 41 1HG2 VAL 41 5.554 28.368 -7.514 289 HG22 VAL 41 2HG2 VAL 41 5.814 26.970 -8.282 290 HG23 VAL 41 3HG2 VAL 41 7.059 27.798 -7.666 291 H PHE 42 H PHE 42 4.615 24.145 -6.213 292 HA PHE 42 HA PHE 42 5.379 22.754 -8.550 293 HB2 PHE 42 1HB PHE 42 4.606 21.217 -6.969 294 HB3 PHE 42 2HB PHE 42 3.273 22.108 -6.660 295 HD1 PHE 42 HD1 PHE 42 4.778 20.442 -9.507 296 HD2 PHE 42 HD2 PHE 42 1.254 21.349 -7.538 297 HE1 PHE 42 HE1 PHE 42 3.540 19.194 -11.195 298 HE2 PHE 42 HE2 PHE 42 0.003 20.153 -9.195 299 HZ PHE 42 HZ PHE 42 1.161 19.001 -10.984 300 H SER 43 H SER 43 4.420 23.104 -10.579 301 HA SER 43 HA SER 43 2.001 24.696 -10.619 302 HB2 SER 43 1HB SER 43 3.824 25.975 -11.537 303 HB3 SER 43 2HB SER 43 4.201 24.752 -12.550 304 HG SER 43 HG SER 43 3.015 25.819 -13.843 305 H ASN 44 H ASN 44 0.296 23.488 -11.081 306 HA ASN 44 HA ASN 44 0.497 21.110 -12.432 307 HB2 ASN 44 1HB ASN 44 -1.462 22.376 -11.104 308 HB3 ASN 44 2HB ASN 44 -2.079 22.201 -12.606 309 HD21 ASN 44 1HD2 ASN 44 -2.902 19.314 -10.331 310 HD22 ASN 44 2HD2 ASN 44 -2.953 21.032 -10.114 311 H SER 45 H SER 45 0.247 24.261 -13.669 312 HA SER 45 HA SER 45 -1.026 23.626 -16.064 313 HB2 SER 45 1HB SER 45 -0.228 25.819 -16.794 314 HB3 SER 45 2HB SER 45 -0.973 25.877 -15.342 315 HG SER 45 HG SER 45 1.690 25.443 -15.190 316 H CYS 46 H CYS 46 2.303 23.550 -15.156 317 HA CYS 46 HA CYS 46 3.008 22.792 -17.819 318 HB2 CYS 46 1HB CYS 46 5.225 22.979 -17.183 319 HB3 CYS 46 2HB CYS 46 4.406 24.351 -16.849 320 H LYS 47 H LYS 47 1.996 21.482 -15.019 321 HA LYS 47 HA LYS 47 2.061 19.440 -14.073 322 HB2 LYS 47 1HB LYS 47 1.691 18.895 -16.593 323 HB3 LYS 47 2HB LYS 47 3.074 18.062 -16.350 324 HG2 LYS 47 1HG LYS 47 1.372 16.636 -16.133 325 HG3 LYS 47 2HG LYS 47 2.000 16.881 -14.646 326 HD2 LYS 47 1HD LYS 47 0.222 18.431 -14.198 327 HD3 LYS 47 2HD LYS 47 -0.430 18.057 -15.648 328 HE2 LYS 47 1HE LYS 47 -0.777 15.836 -14.941 329 HE3 LYS 47 2HE LYS 47 -0.069 16.167 -13.507 330 HZ1 LYS 47 1HZ LYS 47 -2.378 16.149 -13.293 331 HZ2 LYS 47 2HZ LYS 47 -2.506 17.305 -14.417 332 HZ3 LYS 47 3HZ LYS 47 -1.806 17.633 -12.997 333 H CYS 48 H CYS 48 4.179 21.113 -13.730 334 HA CYS 48 HA CYS 48 6.378 19.368 -13.258 335 HB2 CYS 48 1HB CYS 48 7.866 20.397 -14.583 336 HB3 CYS 48 2HB CYS 48 6.508 20.363 -15.490 337 H CYS 49 H CYS 49 8.291 20.374 -12.144 338 HA CYS 49 HA CYS 49 7.414 22.184 -10.088 339 HB2 CYS 49 1HB CYS 49 8.776 20.314 -9.608 340 HB3 CYS 49 2HB CYS 49 9.980 20.999 -10.473 341 H THR 50 H THR 50 7.917 24.332 -9.817 342 HA THR 50 HA THR 50 9.554 25.530 -11.874 343 HB THR 50 HB THR 50 7.916 27.367 -11.956 344 HG1 THR 50 HG1 THR 50 5.769 26.592 -11.165 345 HG21 THR 50 1HG2 THR 50 6.302 26.268 -13.327 346 HG22 THR 50 2HG2 THR 50 6.796 24.828 -12.781 347 HG23 THR 50 3HG2 THR 50 7.778 25.723 -13.703 348 H TRP 51 H TRP 51 10.109 27.881 -11.282 349 HA TRP 51 HA TRP 51 11.212 27.932 -8.715 350 HB2 TRP 51 1HB TRP 51 12.207 28.930 -10.741 351 HB3 TRP 51 2HB TRP 51 11.161 30.168 -10.547 352 HD1 TRP 51 HD1 TRP 51 11.662 31.879 -8.653 353 HE1 TRP 51 HE1 TRP 51 13.623 32.531 -7.251 354 HE3 TRP 51 HE3 TRP 51 14.329 27.764 -9.520 355 HZ2 TRP 51 HZ2 TRP 51 16.054 31.270 -6.625 356 HZ3 TRP 51 HZ3 TRP 51 16.505 27.531 -8.448 357 HH2 TRP 51 HH2 TRP 51 17.372 29.298 -7.026 358 H ASN 52 H ASN 52 10.798 29.211 -6.890 359 HA ASN 52 HA ASN 52 8.123 29.710 -6.476 360 HB2 ASN 52 1HB ASN 52 9.619 29.241 -4.642 361 HB3 ASN 52 2HB ASN 52 10.416 30.640 -4.918 362 HD21 ASN 52 1HD2 ASN 52 7.065 30.573 -2.735 363 HD22 ASN 52 2HD2 ASN 52 7.528 29.231 -3.727 364 H GLY 53 H GLY 53 10.738 31.978 -6.945 365 HA2 GLY 53 1HA GLY 53 9.560 33.918 -8.268 366 HA3 GLY 53 2HA GLY 53 8.950 34.180 -6.775 367 H LEU 54 H LEU 54 9.908 35.755 -5.656 368 HA LEU 54 HA LEU 54 12.625 36.466 -6.390 369 HB2 LEU 54 1HB LEU 54 10.392 37.866 -5.540 370 HB3 LEU 54 2HB LEU 54 11.679 38.265 -4.617 371 HG LEU 54 HG LEU 54 11.354 39.812 -6.303 372 HD11 LEU 54 1HD1 LEU 54 13.570 39.886 -7.207 373 HD12 LEU 54 2HD1 LEU 54 13.811 38.366 -6.711 374 HD13 LEU 54 3HD1 LEU 54 13.594 39.545 -5.627 375 HD21 LEU 54 1HD2 LEU 54 11.677 39.262 -8.632 376 HD22 LEU 54 2HD2 LEU 54 10.395 38.482 -8.031 377 HD23 LEU 54 3HD2 LEU 54 11.794 37.699 -8.238 378 H VAL 55 H VAL 55 14.223 37.099 -4.849 379 HA VAL 55 HA VAL 55 14.141 35.571 -2.365 380 HB VAL 55 HB VAL 55 16.450 36.499 -3.830 381 HG11 VAL 55 1HG1 VAL 55 17.853 35.410 -2.212 382 HG12 VAL 55 2HG1 VAL 55 16.555 35.066 -1.311 383 HG13 VAL 55 3HG1 VAL 55 17.012 36.603 -1.517 384 HG21 VAL 55 1HG2 VAL 55 16.887 34.115 -4.171 385 HG22 VAL 55 2HG2 VAL 55 15.450 34.508 -4.800 386 HG23 VAL 55 3HG2 VAL 55 15.529 33.757 -3.370 387 HA PRO 56 HA PRO 56 13.769 39.709 -0.988 388 HB2 PRO 56 1HB PRO 56 13.256 39.421 1.653 389 HB3 PRO 56 2HB PRO 56 12.153 38.808 0.616 390 HG2 PRO 56 1HG PRO 56 14.304 37.471 1.862 391 HG3 PRO 56 2HG PRO 56 12.729 37.039 1.835 392 HD2 PRO 56 1HD PRO 56 14.396 35.974 0.132 393 HD3 PRO 56 2HD PRO 56 12.856 36.277 -0.321 394 H ARG 57 H ARG 57 16.398 37.986 0.017 395 HA ARG 57 HA ARG 57 17.711 40.394 0.936 396 HB2 ARG 57 1HB ARG 57 17.702 37.925 2.443 397 HB3 ARG 57 2HB ARG 57 18.715 39.164 2.765 398 HG2 ARG 57 1HG ARG 57 15.867 39.435 3.038 399 HG3 ARG 57 2HG ARG 57 16.812 38.953 4.279 400 HD2 ARG 57 1HD ARG 57 18.044 41.096 3.903 401 HD3 ARG 57 2HD ARG 57 16.714 41.552 3.071 402 HE ARG 57 HE ARG 57 15.846 40.603 5.518 403 HH11 ARG 57 1HH1 ARG 57 17.596 43.383 4.229 404 HH12 ARG 57 2HH1 ARG 57 17.153 44.398 5.561 405 HH21 ARG 57 1HH2 ARG 57 15.366 41.918 7.228 406 HH22 ARG 57 2HH2 ARG 57 15.893 43.567 7.255
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