NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
505501 | 2ys2 | 11157 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -0.759 -10.114 31.650 2 HA2 GLY 1 1HA GLY 1 -2.267 -8.090 30.164 3 HA3 GLY 1 2HA GLY 1 -0.572 -7.765 30.496 4 H SER 2 H SER 2 -1.709 -7.960 27.909 5 HA SER 2 HA SER 2 -0.300 -10.347 26.913 6 HB2 SER 2 1HB SER 2 -1.957 -10.340 25.008 7 HB3 SER 2 2HB SER 2 -2.639 -10.767 26.578 8 HG SER 2 HG SER 2 -3.694 -8.894 26.653 9 H SER 3 H SER 3 1.592 -9.184 26.528 10 HA SER 3 HA SER 3 1.829 -6.718 25.284 11 HB2 SER 3 1HB SER 3 3.668 -8.057 26.394 12 HB3 SER 3 2HB SER 3 3.772 -9.002 24.909 13 HG SER 3 HG SER 3 5.116 -6.918 25.318 14 H GLY 4 H GLY 4 1.761 -9.953 23.817 15 HA2 GLY 4 1HA GLY 4 0.850 -10.503 21.732 16 HA3 GLY 4 2HA GLY 4 0.733 -8.791 21.356 17 H SER 5 H SER 5 1.879 -11.198 19.915 18 HA SER 5 HA SER 5 4.638 -10.245 19.567 19 HB2 SER 5 1HB SER 5 5.117 -12.404 18.554 20 HB3 SER 5 2HB SER 5 4.336 -12.652 20.116 21 HG SER 5 HG SER 5 3.043 -13.866 18.977 22 H SER 6 H SER 6 2.630 -8.676 18.476 23 HA SER 6 HA SER 6 2.476 -9.348 15.642 24 HB2 SER 6 1HB SER 6 1.159 -7.278 17.381 25 HB3 SER 6 2HB SER 6 1.137 -7.119 15.625 26 HG SER 6 HG SER 6 0.209 -9.371 17.086 27 H GLY 7 H GLY 7 2.840 -7.480 14.082 28 HA2 GLY 7 1HA GLY 7 5.433 -6.262 14.750 29 HA3 GLY 7 2HA GLY 7 4.839 -6.571 13.125 30 H ASN 8 H ASN 8 2.392 -5.437 13.087 31 HA ASN 8 HA ASN 8 2.553 -2.742 14.148 32 HB2 ASN 8 1HB ASN 8 2.718 -3.355 11.201 33 HB3 ASN 8 2HB ASN 8 2.147 -1.802 11.802 34 HD21 ASN 8 1HD2 ASN 8 4.642 -2.923 10.362 35 HD22 ASN 8 2HD2 ASN 8 5.944 -2.148 11.191 36 HA PRO 9 HA PRO 9 -1.817 -3.183 14.270 37 HB2 PRO 9 1HB PRO 9 -2.571 -0.576 14.216 38 HB3 PRO 9 2HB PRO 9 -1.831 -1.331 15.631 39 HG2 PRO 9 1HG PRO 9 -0.574 0.388 13.528 40 HG3 PRO 9 2HG PRO 9 -0.345 0.423 15.285 41 HD2 PRO 9 1HD PRO 9 1.422 -0.760 13.609 42 HD3 PRO 9 2HD PRO 9 1.124 -1.353 15.256 43 H HIS 10 H HIS 10 -0.223 -1.710 11.613 44 HA HIS 10 HA HIS 10 -2.699 -1.645 10.037 45 HB2 HIS 10 1HB HIS 10 -1.677 -0.122 8.587 46 HB3 HIS 10 2HB HIS 10 -1.061 0.355 10.166 47 HD2 HIS 10 HD2 HIS 10 0.258 -0.546 6.737 48 HE1 HIS 10 HE1 HIS 10 3.539 -0.909 9.401 49 HE2 HIS 10 HE2 HIS 10 2.825 -0.731 6.993 50 H LEU 11 H LEU 11 -3.123 -3.416 8.908 51 HA LEU 11 HA LEU 11 -0.865 -4.964 7.819 52 HB2 LEU 11 1HB LEU 11 -1.964 -6.316 9.410 53 HB3 LEU 11 2HB LEU 11 -3.556 -5.835 8.829 54 HG LEU 11 HG LEU 11 -2.803 -7.043 6.636 55 HD11 LEU 11 1HD1 LEU 11 -1.385 -9.035 7.227 56 HD12 LEU 11 2HD1 LEU 11 -0.951 -8.189 8.711 57 HD13 LEU 11 3HD1 LEU 11 -0.535 -7.493 7.146 58 HD21 LEU 11 3HD2 LEU 11 -3.569 -8.531 9.147 59 HD22 LEU 11 1HD2 LEU 11 -3.743 -9.137 7.500 60 HD23 LEU 11 2HD2 LEU 11 -4.674 -7.734 8.025 61 H LEU 12 H LEU 12 -3.957 -3.486 7.177 62 HA LEU 12 HA LEU 12 -3.789 -4.325 4.364 63 HB2 LEU 12 1HB LEU 12 -6.092 -3.271 5.993 64 HB3 LEU 12 2HB LEU 12 -6.161 -3.528 4.250 65 HG LEU 12 HG LEU 12 -5.433 -5.980 4.965 66 HD11 LEU 12 1HD1 LEU 12 -7.098 -5.139 7.321 67 HD12 LEU 12 2HD1 LEU 12 -5.340 -5.244 7.382 68 HD13 LEU 12 3HD1 LEU 12 -6.297 -6.685 7.042 69 HD21 LEU 12 3HD2 LEU 12 -7.518 -6.571 4.337 70 HD22 LEU 12 1HD2 LEU 12 -7.656 -4.857 3.950 71 HD23 LEU 12 2HD2 LEU 12 -8.292 -5.469 5.476 72 H VAL 13 H VAL 13 -2.123 -2.750 3.944 73 HA VAL 13 HA VAL 13 -3.167 0.001 3.753 74 HB VAL 13 HB VAL 13 -1.333 0.032 5.276 75 HG11 VAL 13 1HG1 VAL 13 -0.134 -1.912 5.039 76 HG12 VAL 13 2HG1 VAL 13 -0.054 -1.779 3.282 77 HG13 VAL 13 3HG1 VAL 13 0.967 -0.755 4.293 78 HG21 VAL 13 3HG2 VAL 13 -1.453 1.644 3.175 79 HG22 VAL 13 1HG2 VAL 13 -0.139 1.739 4.347 80 HG23 VAL 13 2HG2 VAL 13 0.100 0.890 2.820 81 H LYS 14 H LYS 14 -2.868 1.129 1.852 82 HA LYS 14 HA LYS 14 -1.852 -0.444 -0.425 83 HB2 LYS 14 1HB LYS 14 -4.113 1.563 -0.390 84 HB3 LYS 14 2HB LYS 14 -3.487 0.774 -1.832 85 HG2 LYS 14 1HG LYS 14 -4.485 -0.870 0.451 86 HG3 LYS 14 2HG LYS 14 -5.622 -0.140 -0.686 87 HD2 LYS 14 1HD LYS 14 -4.774 -1.362 -2.493 88 HD3 LYS 14 2HD LYS 14 -3.283 -1.762 -1.639 89 HE2 LYS 14 1HE LYS 14 -4.834 -3.013 0.002 90 HE3 LYS 14 2HE LYS 14 -6.030 -2.908 -1.287 91 HZ1 LYS 14 3HZ LYS 14 -3.401 -4.270 -1.359 92 HZ2 LYS 14 1HZ LYS 14 -4.301 -3.952 -2.755 93 HZ3 LYS 14 2HZ LYS 14 -4.935 -4.958 -1.553 94 H TYR 15 H TYR 15 -1.358 1.081 -2.353 95 HA TYR 15 HA TYR 15 -0.177 3.604 -1.458 96 HB2 TYR 15 1HB TYR 15 1.937 3.084 -2.634 97 HB3 TYR 15 2HB TYR 15 1.639 1.996 -1.282 98 HD1 TYR 15 HD1 TYR 15 1.104 2.214 -4.972 99 HD2 TYR 15 HD2 TYR 15 1.875 -0.283 -1.615 100 HE1 TYR 15 HE1 TYR 15 1.373 0.285 -6.476 101 HE2 TYR 15 HE2 TYR 15 2.147 -2.218 -3.108 102 HH TYR 15 HH TYR 15 1.494 -2.929 -5.336 103 H HIS 16 H HIS 16 0.854 4.711 -3.508 104 HA HIS 16 HA HIS 16 -1.133 4.486 -5.671 105 HB2 HIS 16 1HB HIS 16 0.310 6.858 -4.515 106 HB3 HIS 16 2HB HIS 16 -0.381 6.917 -6.134 107 HD2 HIS 16 HD2 HIS 16 -1.479 7.212 -2.465 108 HE1 HIS 16 HE1 HIS 16 -4.989 7.260 -4.847 109 HE2 HIS 16 HE2 HIS 16 -4.018 7.694 -2.563 110 H SER 17 H SER 17 -0.296 3.436 -7.349 111 HA SER 17 HA SER 17 2.534 3.412 -7.875 112 HB2 SER 17 1HB SER 17 1.801 2.049 -9.903 113 HB3 SER 17 2HB SER 17 1.400 1.371 -8.324 114 HG SER 17 HG SER 17 -0.306 1.475 -10.042 115 H GLY 18 H GLY 18 1.663 6.015 -7.973 116 HA2 GLY 18 1HA GLY 18 2.242 6.664 -10.764 117 HA3 GLY 18 2HA GLY 18 0.757 7.312 -10.085 118 H PHE 19 H PHE 19 1.423 9.451 -10.311 119 HA PHE 19 HA PHE 19 3.381 10.303 -8.300 120 HB2 PHE 19 1HB PHE 19 3.316 11.104 -11.205 121 HB3 PHE 19 2HB PHE 19 4.102 12.097 -9.981 122 HD1 PHE 19 HD2 PHE 19 5.890 10.928 -8.526 123 HD2 PHE 19 HD1 PHE 19 4.490 9.412 -12.249 124 HE1 PHE 19 HE2 PHE 19 7.931 9.571 -8.736 125 HE2 PHE 19 HE1 PHE 19 6.529 8.051 -12.465 126 HZ PHE 19 HZ PHE 19 8.252 8.130 -10.708 127 H PHE 20 H PHE 20 3.262 12.807 -8.094 128 HA PHE 20 HA PHE 20 0.419 13.583 -8.128 129 HB2 PHE 20 1HB PHE 20 1.356 13.160 -5.849 130 HB3 PHE 20 2HB PHE 20 2.510 14.461 -6.127 131 HD1 PHE 20 HD1 PHE 20 -1.111 14.254 -6.953 132 HD2 PHE 20 HD2 PHE 20 1.931 16.143 -4.651 133 HE1 PHE 20 HE1 PHE 20 -2.757 15.884 -6.124 134 HE2 PHE 20 HE2 PHE 20 0.289 17.776 -3.817 135 HZ PHE 20 HZ PHE 20 -2.057 17.647 -4.552 136 H VAL 21 H VAL 21 0.407 14.756 -10.005 137 HA VAL 21 HA VAL 21 2.125 17.152 -10.043 138 HB VAL 21 HB VAL 21 1.120 15.655 -12.467 139 HG11 VAL 21 1HG1 VAL 21 3.265 17.337 -13.112 140 HG12 VAL 21 2HG1 VAL 21 1.569 17.539 -13.558 141 HG13 VAL 21 3HG1 VAL 21 2.192 18.294 -12.090 142 HG21 VAL 21 3HG2 VAL 21 2.801 14.337 -11.333 143 HG22 VAL 21 1HG2 VAL 21 3.487 15.035 -12.801 144 HG23 VAL 21 2HG2 VAL 21 3.870 15.736 -11.228 145 H ASP 22 H ASP 22 1.183 19.086 -10.580 146 HA ASP 22 HA ASP 22 -0.469 20.645 -10.716 147 HB2 ASP 22 1HB ASP 22 -0.679 19.340 -12.950 148 HB3 ASP 22 2HB ASP 22 -2.135 18.656 -12.233 149 H GLY 23 H GLY 23 -0.481 18.914 -8.432 150 HA2 GLY 23 1HA GLY 23 -1.795 18.522 -6.590 151 HA3 GLY 23 2HA GLY 23 -2.974 19.606 -7.313 152 H LYS 24 H LYS 24 -2.115 16.990 -9.302 153 HA LYS 24 HA LYS 24 -4.383 15.381 -8.358 154 HB2 LYS 24 1HB LYS 24 -3.883 16.266 -11.204 155 HB3 LYS 24 2HB LYS 24 -5.028 15.009 -10.752 156 HG2 LYS 24 1HG LYS 24 -5.237 17.714 -9.510 157 HG3 LYS 24 2HG LYS 24 -5.847 17.444 -11.145 158 HD2 LYS 24 1HD LYS 24 -6.989 15.358 -9.993 159 HD3 LYS 24 2HD LYS 24 -6.809 16.352 -8.547 160 HE2 LYS 24 1HE LYS 24 -8.977 16.746 -9.533 161 HE3 LYS 24 2HE LYS 24 -7.981 18.190 -9.706 162 HZ1 LYS 24 3HZ LYS 24 -7.629 16.535 -11.956 163 HZ2 LYS 24 1HZ LYS 24 -8.256 18.105 -11.886 164 HZ3 LYS 24 2HZ LYS 24 -9.285 16.774 -11.710 165 H PHE 25 H PHE 25 -4.202 13.177 -8.673 166 HA PHE 25 HA PHE 25 -1.534 12.177 -8.960 167 HB2 PHE 25 1HB PHE 25 -4.212 10.920 -8.443 168 HB3 PHE 25 2HB PHE 25 -2.810 9.917 -8.802 169 HD1 PHE 25 HD1 PHE 25 -0.638 10.698 -7.383 170 HD2 PHE 25 HD2 PHE 25 -4.705 11.196 -6.231 171 HE1 PHE 25 HE1 PHE 25 0.049 10.814 -5.024 172 HE2 PHE 25 HE2 PHE 25 -4.024 11.313 -3.869 173 HZ PHE 25 HZ PHE 25 -1.645 11.123 -3.263 174 H LEU 26 H LEU 26 -0.915 10.466 -10.455 175 HA LEU 26 HA LEU 26 -2.116 10.891 -13.103 176 HB2 LEU 26 1HB LEU 26 0.630 10.021 -12.241 177 HB3 LEU 26 2HB LEU 26 0.068 9.879 -13.907 178 HG LEU 26 HG LEU 26 1.472 11.856 -13.578 179 HD11 LEU 26 1HD1 LEU 26 0.077 13.417 -14.698 180 HD12 LEU 26 2HD1 LEU 26 -1.384 12.688 -14.034 181 HD13 LEU 26 3HD1 LEU 26 -0.422 11.809 -15.221 182 HD21 LEU 26 3HD2 LEU 26 0.934 12.267 -11.221 183 HD22 LEU 26 1HD2 LEU 26 -0.690 12.773 -11.684 184 HD23 LEU 26 2HD2 LEU 26 0.708 13.713 -12.206 185 H CYS 27 H CYS 27 -1.566 8.548 -10.651 186 HA CYS 27 HA CYS 27 -1.890 6.249 -12.355 187 HB2 CYS 27 1HB CYS 27 -2.142 5.081 -10.069 188 HB3 CYS 27 2HB CYS 27 -0.586 5.806 -10.459 189 H CYS 28 H CYS 28 -3.876 7.919 -9.927 190 HA CYS 28 HA CYS 28 -6.233 6.538 -11.034 191 HB2 CYS 28 1HB CYS 28 -7.252 7.166 -8.739 192 HB3 CYS 28 2HB CYS 28 -6.120 5.820 -8.813 193 H GLN 29 H GLN 29 -4.795 9.577 -10.155 194 HA GLN 29 HA GLN 29 -5.391 11.739 -10.534 195 HB2 GLN 29 1HB GLN 29 -7.317 10.542 -12.532 196 HB3 GLN 29 2HB GLN 29 -6.767 12.212 -12.488 197 HG2 GLN 29 1HG GLN 29 -4.713 11.710 -13.341 198 HG3 GLN 29 2HG GLN 29 -4.727 10.067 -12.704 199 HE21 GLN 29 1HE2 GLN 29 -4.101 9.230 -14.702 200 HE22 GLN 29 2HE2 GLN 29 -5.201 9.114 -16.029 201 H GLN 30 H GLN 30 -6.583 10.578 -8.340 202 HA GLN 30 HA GLN 30 -9.379 10.811 -8.219 203 HB2 GLN 30 1HB GLN 30 -7.292 11.065 -6.049 204 HB3 GLN 30 2HB GLN 30 -9.023 10.982 -5.744 205 HG2 GLN 30 1HG GLN 30 -7.535 8.845 -7.238 206 HG3 GLN 30 2HG GLN 30 -7.725 8.835 -5.485 207 HE21 GLN 30 1HE2 GLN 30 -8.894 6.904 -5.589 208 HE22 GLN 30 2HE2 GLN 30 -10.535 6.862 -6.126 209 H SER 31 H SER 31 -10.300 12.438 -6.435 210 HA SER 31 HA SER 31 -9.935 15.062 -7.604 211 HB2 SER 31 1HB SER 31 -12.206 14.435 -7.231 212 HB3 SER 31 2HB SER 31 -11.873 13.962 -5.565 213 HG SER 31 HG SER 31 -11.816 16.587 -6.640 214 H CYS 32 H CYS 32 -9.695 13.599 -4.373 215 HA CYS 32 HA CYS 32 -8.395 16.010 -3.364 216 HB2 CYS 32 1HB CYS 32 -9.518 13.541 -2.064 217 HB3 CYS 32 2HB CYS 32 -8.452 14.627 -1.176 218 H LYS 33 H LYS 33 -6.457 15.691 -1.938 219 HA LYS 33 HA LYS 33 -4.472 14.184 -3.401 220 HB2 LYS 33 1HB LYS 33 -4.299 16.562 -2.256 221 HB3 LYS 33 2HB LYS 33 -3.849 15.607 -0.850 222 HG2 LYS 33 1HG LYS 33 -2.478 15.240 -3.489 223 HG3 LYS 33 2HG LYS 33 -1.983 16.496 -2.352 224 HD2 LYS 33 1HD LYS 33 -2.305 13.725 -1.323 225 HD3 LYS 33 2HD LYS 33 -0.897 14.079 -2.326 226 HE2 LYS 33 1HE LYS 33 -1.574 15.930 -0.091 227 HE3 LYS 33 2HE LYS 33 -0.823 14.380 0.290 228 HZ1 LYS 33 3HZ LYS 33 0.905 15.950 0.027 229 HZ2 LYS 33 1HZ LYS 33 0.265 16.542 -1.423 230 HZ3 LYS 33 2HZ LYS 33 0.932 14.989 -1.364 231 H ALA 34 H ALA 34 -5.814 14.196 -0.115 232 HA ALA 34 HA ALA 34 -4.296 11.840 0.616 233 HB1 ALA 34 3HB ALA 34 -5.144 12.129 2.798 234 HB2 ALA 34 1HB ALA 34 -4.825 13.753 2.187 235 HB3 ALA 34 2HB ALA 34 -6.477 13.135 2.229 236 H ALA 35 H ALA 35 -5.930 11.342 -1.574 237 HA ALA 35 HA ALA 35 -8.411 10.157 -0.794 238 HB1 ALA 35 3HB ALA 35 -7.340 10.958 -3.175 239 HB2 ALA 35 1HB ALA 35 -7.241 9.201 -3.298 240 HB3 ALA 35 2HB ALA 35 -8.795 9.978 -2.993 241 HA PRO 36 HA PRO 36 -7.200 6.121 0.428 242 HB2 PRO 36 1HB PRO 36 -9.142 4.577 -0.673 243 HB3 PRO 36 2HB PRO 36 -9.429 5.643 0.707 244 HG2 PRO 36 1HG PRO 36 -10.024 6.097 -2.192 245 HG3 PRO 36 2HG PRO 36 -11.025 6.459 -0.774 246 HD2 PRO 36 1HD PRO 36 -9.576 8.352 -2.057 247 HD3 PRO 36 2HD PRO 36 -9.883 8.406 -0.309 248 H GLY 37 H GLY 37 -5.823 4.560 -0.232 249 HA2 GLY 37 1HA GLY 37 -4.396 4.516 -2.484 250 HA3 GLY 37 2HA GLY 37 -4.821 3.021 -1.664 251 H CYS 38 H CYS 38 -4.518 3.931 -4.583 252 HA CYS 38 HA CYS 38 -7.171 3.214 -5.590 253 HB2 CYS 38 1HB CYS 38 -6.431 4.011 -7.729 254 HB3 CYS 38 2HB CYS 38 -5.954 5.201 -6.522 255 H THR 39 H THR 39 -3.808 2.147 -5.671 256 HA THR 39 HA THR 39 -4.231 -0.046 -7.425 257 HB THR 39 HB THR 39 -2.030 0.320 -5.383 258 HG1 THR 39 HG1 THR 39 -1.590 1.932 -6.708 259 HG21 THR 39 3HG2 THR 39 -1.350 -1.702 -6.026 260 HG22 THR 39 1HG2 THR 39 -1.125 -1.064 -7.654 261 HG23 THR 39 2HG2 THR 39 -2.657 -1.814 -7.204 262 H LEU 40 H LEU 40 -6.026 -1.192 -6.658 263 HA LEU 40 HA LEU 40 -5.762 -2.484 -4.040 264 HB2 LEU 40 1HB LEU 40 -7.880 -1.255 -4.900 265 HB3 LEU 40 2HB LEU 40 -8.150 -2.729 -5.828 266 HG LEU 40 HG LEU 40 -7.709 -2.957 -2.890 267 HD11 LEU 40 1HD1 LEU 40 -9.299 -1.267 -2.768 268 HD12 LEU 40 2HD1 LEU 40 -10.265 -2.741 -2.713 269 HD13 LEU 40 3HD1 LEU 40 -10.144 -1.822 -4.213 270 HD21 LEU 40 3HD2 LEU 40 -8.647 -4.993 -3.144 271 HD22 LEU 40 1HD2 LEU 40 -8.168 -4.770 -4.828 272 HD23 LEU 40 2HD2 LEU 40 -9.823 -4.424 -4.329 273 H TRP 41 H TRP 41 -6.107 -4.759 -3.820 274 HA TRP 41 HA TRP 41 -4.741 -6.293 -5.778 275 HB2 TRP 41 1HB TRP 41 -4.948 -6.680 -3.217 276 HB3 TRP 41 2HB TRP 41 -6.449 -7.509 -3.625 277 HD1 TRP 41 HD1 TRP 41 -5.396 -8.964 -6.292 278 HE1 TRP 41 HE1 TRP 41 -3.775 -10.950 -6.060 279 HE3 TRP 41 HE3 TRP 41 -3.599 -8.004 -1.603 280 HZ2 TRP 41 HZ2 TRP 41 -1.974 -11.975 -4.144 281 HZ3 TRP 41 HZ3 TRP 41 -1.931 -9.535 -0.642 282 HH2 TRP 41 HH2 TRP 41 -1.137 -11.480 -1.888 283 H GLU 42 H GLU 42 -5.979 -5.941 -7.691 284 HA GLU 42 HA GLU 42 -8.150 -7.856 -7.969 285 HB2 GLU 42 1HB GLU 42 -8.454 -4.899 -8.448 286 HB3 GLU 42 2HB GLU 42 -9.475 -6.076 -9.263 287 HG2 GLU 42 1HG GLU 42 -9.209 -5.845 -6.276 288 HG3 GLU 42 2HG GLU 42 -10.484 -5.086 -7.227 289 H ALA 43 H ALA 43 -8.753 -8.180 -10.268 290 HA ALA 43 HA ALA 43 -7.000 -7.180 -12.309 291 HB1 ALA 43 3HB ALA 43 -6.777 -10.101 -12.248 292 HB2 ALA 43 1HB ALA 43 -5.556 -8.873 -12.585 293 HB3 ALA 43 2HB ALA 43 -5.962 -9.278 -10.917 294 H TYR 44 H TYR 44 -7.756 -7.593 -14.382 295 HA TYR 44 HA TYR 44 -10.526 -8.203 -14.590 296 HB2 TYR 44 1HB TYR 44 -10.056 -8.025 -17.083 297 HB3 TYR 44 2HB TYR 44 -9.676 -6.602 -16.119 298 HD1 TYR 44 HD1 TYR 44 -8.279 -9.388 -18.053 299 HD2 TYR 44 HD2 TYR 44 -7.384 -5.895 -15.795 300 HE1 TYR 44 HE1 TYR 44 -5.985 -9.410 -18.940 301 HE2 TYR 44 HE2 TYR 44 -5.087 -5.907 -16.676 302 HH TYR 44 HH TYR 44 -3.490 -7.601 -17.627 303 H SER 45 H SER 45 -7.592 -9.867 -15.723 304 HA SER 45 HA SER 45 -9.149 -12.193 -16.499 305 HB2 SER 45 1HB SER 45 -6.280 -11.369 -16.805 306 HB3 SER 45 2HB SER 45 -6.732 -13.061 -17.010 307 HG SER 45 HG SER 45 -6.800 -11.380 -18.875 308 H GLY 46 H GLY 46 -9.193 -14.129 -15.459 309 HA2 GLY 46 1HA GLY 46 -7.411 -15.142 -13.612 310 HA3 GLY 46 2HA GLY 46 -8.533 -14.160 -12.683 311 HA PRO 47 HA PRO 47 -10.185 -18.532 -13.658 312 HB2 PRO 47 1HB PRO 47 -9.694 -19.709 -11.261 313 HB3 PRO 47 2HB PRO 47 -8.550 -19.758 -12.607 314 HG2 PRO 47 1HG PRO 47 -8.573 -17.973 -10.203 315 HG3 PRO 47 2HG PRO 47 -7.205 -18.806 -10.965 316 HD2 PRO 47 1HD PRO 47 -7.724 -16.180 -11.375 317 HD3 PRO 47 2HD PRO 47 -6.997 -17.215 -12.621 318 H SER 48 H SER 48 -12.144 -17.280 -13.614 319 HA SER 48 HA SER 48 -13.463 -16.098 -11.589 320 HB2 SER 48 1HB SER 48 -14.675 -18.011 -13.598 321 HB3 SER 48 2HB SER 48 -15.594 -16.868 -12.620 322 HG SER 48 HG SER 48 -15.219 -15.849 -14.526 323 H SER 49 H SER 49 -14.855 -16.680 -9.909 324 HA SER 49 HA SER 49 -14.295 -19.313 -8.772 325 HB2 SER 49 1HB SER 49 -15.062 -18.402 -6.671 326 HB3 SER 49 2HB SER 49 -13.955 -17.241 -7.404 327 HG SER 49 HG SER 49 -15.793 -16.085 -8.139 328 H GLY 50 H GLY 50 -15.766 -20.891 -8.616 329 HA2 GLY 50 1HA GLY 50 -18.505 -20.273 -9.518 330 HA3 GLY 50 2HA GLY 50 -17.724 -21.840 -9.671 Start of MODEL 2 1 H1 GLY 1 H GLY 1 22.470 -16.383 12.087 2 HA2 GLY 1 1HA GLY 1 21.330 -16.513 14.435 3 HA3 GLY 1 2HA GLY 1 22.583 -15.346 14.829 4 H SER 2 H SER 2 20.041 -14.587 15.223 5 HA SER 2 HA SER 2 18.888 -13.299 12.943 6 HB2 SER 2 1HB SER 2 17.282 -12.373 14.510 7 HB3 SER 2 2HB SER 2 17.553 -14.071 14.900 8 HG SER 2 HG SER 2 19.278 -12.987 16.361 9 H SER 3 H SER 3 19.421 -11.408 12.087 10 HA SER 3 HA SER 3 20.951 -9.502 13.733 11 HB2 SER 3 1HB SER 3 22.010 -8.761 11.572 12 HB3 SER 3 2HB SER 3 22.435 -10.399 12.068 13 HG SER 3 HG SER 3 21.002 -9.526 9.882 14 H GLY 4 H GLY 4 20.584 -7.270 13.367 15 HA2 GLY 4 1HA GLY 4 17.983 -6.435 13.189 16 HA3 GLY 4 2HA GLY 4 19.355 -5.401 12.818 17 H SER 5 H SER 5 16.667 -7.098 11.572 18 HA SER 5 HA SER 5 17.436 -6.311 8.838 19 HB2 SER 5 1HB SER 5 16.038 -8.203 8.029 20 HB3 SER 5 2HB SER 5 17.408 -8.737 9.002 21 HG SER 5 HG SER 5 15.830 -9.813 9.949 22 H SER 6 H SER 6 15.689 -5.679 7.432 23 HA SER 6 HA SER 6 14.021 -3.750 8.407 24 HB2 SER 6 1HB SER 6 14.513 -4.168 5.991 25 HB3 SER 6 2HB SER 6 13.375 -5.515 6.032 26 HG SER 6 HG SER 6 11.965 -3.650 6.984 27 H GLY 7 H GLY 7 11.850 -3.606 8.999 28 HA2 GLY 7 1HA GLY 7 10.849 -5.786 10.517 29 HA3 GLY 7 2HA GLY 7 9.999 -4.285 10.182 30 H ASN 8 H ASN 8 8.032 -5.356 9.863 31 HA ASN 8 HA ASN 8 7.691 -7.510 8.060 32 HB2 ASN 8 1HB ASN 8 5.829 -5.558 9.377 33 HB3 ASN 8 2HB ASN 8 5.226 -6.651 8.134 34 HD21 ASN 8 1HD2 ASN 8 5.635 -6.263 11.363 35 HD22 ASN 8 2HD2 ASN 8 5.597 -7.917 11.863 36 HA PRO 9 HA PRO 9 7.673 -5.552 4.129 37 HB2 PRO 9 1HB PRO 9 5.936 -7.149 2.789 38 HB3 PRO 9 2HB PRO 9 7.570 -7.661 3.225 39 HG2 PRO 9 1HG PRO 9 4.971 -8.259 4.586 40 HG3 PRO 9 2HG PRO 9 6.333 -9.343 4.246 41 HD2 PRO 9 1HD PRO 9 5.925 -8.237 6.684 42 HD3 PRO 9 2HD PRO 9 7.547 -8.591 6.055 43 H HIS 10 H HIS 10 6.666 -3.840 3.261 44 HA HIS 10 HA HIS 10 4.060 -3.083 4.265 45 HB2 HIS 10 1HB HIS 10 4.500 -1.031 2.790 46 HB3 HIS 10 2HB HIS 10 5.574 -1.281 4.163 47 HD2 HIS 10 HD2 HIS 10 8.119 -0.816 3.424 48 HE1 HIS 10 HE1 HIS 10 7.842 -2.111 -0.607 49 HE2 HIS 10 HE2 HIS 10 9.367 -1.239 1.198 50 H LEU 11 H LEU 11 4.004 -5.402 2.664 51 HA LEU 11 HA LEU 11 3.171 -4.746 0.003 52 HB2 LEU 11 1HB LEU 11 4.159 -6.897 0.460 53 HB3 LEU 11 2HB LEU 11 2.896 -7.265 1.633 54 HG LEU 11 HG LEU 11 1.284 -7.079 -0.373 55 HD11 LEU 11 1HD1 LEU 11 3.906 -6.835 -1.662 56 HD12 LEU 11 2HD1 LEU 11 2.308 -6.356 -2.232 57 HD13 LEU 11 3HD1 LEU 11 2.833 -8.034 -2.386 58 HD21 LEU 11 3HD2 LEU 11 2.047 -9.463 -1.097 59 HD22 LEU 11 1HD2 LEU 11 1.463 -9.186 0.543 60 HD23 LEU 11 2HD2 LEU 11 3.195 -9.293 0.232 61 H LEU 12 H LEU 12 1.491 -5.731 2.974 62 HA LEU 12 HA LEU 12 -1.105 -5.788 1.977 63 HB2 LEU 12 1HB LEU 12 -0.153 -4.986 4.723 64 HB3 LEU 12 2HB LEU 12 -1.819 -5.385 4.305 65 HG LEU 12 HG LEU 12 0.479 -7.320 4.066 66 HD11 LEU 12 1HD1 LEU 12 0.434 -7.171 6.327 67 HD12 LEU 12 2HD1 LEU 12 -0.917 -8.284 6.116 68 HD13 LEU 12 3HD1 LEU 12 -1.223 -6.565 6.368 69 HD21 LEU 12 3HD2 LEU 12 -1.623 -7.634 2.679 70 HD22 LEU 12 1HD2 LEU 12 -2.468 -7.895 4.205 71 HD23 LEU 12 2HD2 LEU 12 -1.160 -8.977 3.725 72 H VAL 13 H VAL 13 0.307 -3.124 3.888 73 HA VAL 13 HA VAL 13 -1.586 -1.221 3.662 74 HB VAL 13 HB VAL 13 0.252 0.495 3.560 75 HG11 VAL 13 1HG1 VAL 13 1.128 -1.435 5.614 76 HG12 VAL 13 2HG1 VAL 13 0.630 0.250 5.777 77 HG13 VAL 13 3HG1 VAL 13 -0.585 -1.018 5.613 78 HG21 VAL 13 3HG2 VAL 13 2.430 -1.282 4.054 79 HG22 VAL 13 1HG2 VAL 13 1.697 -1.686 2.501 80 HG23 VAL 13 2HG2 VAL 13 2.270 -0.046 2.807 81 H LYS 14 H LYS 14 -2.605 -0.159 2.096 82 HA LYS 14 HA LYS 14 -2.125 -0.689 -0.635 83 HB2 LYS 14 1HB LYS 14 -3.784 1.450 0.708 84 HB3 LYS 14 2HB LYS 14 -3.794 1.143 -1.024 85 HG2 LYS 14 1HG LYS 14 -4.850 -0.909 -0.784 86 HG3 LYS 14 2HG LYS 14 -4.401 -1.051 0.917 87 HD2 LYS 14 1HD LYS 14 -5.881 0.984 1.311 88 HD3 LYS 14 2HD LYS 14 -6.496 0.718 -0.322 89 HE2 LYS 14 1HE LYS 14 -8.023 -0.463 0.927 90 HE3 LYS 14 2HE LYS 14 -6.858 -1.725 0.533 91 HZ1 LYS 14 3HZ LYS 14 -6.161 -0.347 2.930 92 HZ2 LYS 14 1HZ LYS 14 -6.376 -2.004 2.668 93 HZ3 LYS 14 2HZ LYS 14 -7.706 -1.026 3.036 94 H TYR 15 H TYR 15 -2.066 1.346 -2.191 95 HA TYR 15 HA TYR 15 -0.497 3.571 -1.446 96 HB2 TYR 15 1HB TYR 15 1.648 3.036 -2.103 97 HB3 TYR 15 2HB TYR 15 1.125 1.495 -1.430 98 HD1 TYR 15 HD2 TYR 15 0.074 -0.184 -3.137 99 HD2 TYR 15 HD1 TYR 15 2.551 3.095 -4.237 100 HE1 TYR 15 HE2 TYR 15 0.583 -1.294 -5.272 101 HE2 TYR 15 HE1 TYR 15 3.067 1.995 -6.376 102 HH TYR 15 HH TYR 15 1.501 -0.064 -7.810 103 H HIS 16 H HIS 16 0.305 4.779 -3.412 104 HA HIS 16 HA HIS 16 -1.618 4.394 -5.603 105 HB2 HIS 16 1HB HIS 16 -0.268 6.829 -4.473 106 HB3 HIS 16 2HB HIS 16 -0.929 6.847 -6.106 107 HD2 HIS 16 HD2 HIS 16 -2.092 7.289 -2.499 108 HE1 HIS 16 HE1 HIS 16 -5.583 6.947 -4.886 109 HE2 HIS 16 HE2 HIS 16 -4.655 7.611 -2.640 110 H SER 17 H SER 17 -0.909 3.832 -7.553 111 HA SER 17 HA SER 17 1.925 3.496 -7.995 112 HB2 SER 17 1HB SER 17 1.142 2.559 -10.218 113 HB3 SER 17 2HB SER 17 0.537 1.722 -8.789 114 HG SER 17 HG SER 17 -0.835 3.012 -10.732 115 H GLY 18 H GLY 18 1.233 6.194 -7.692 116 HA2 GLY 18 1HA GLY 18 2.404 7.283 -10.061 117 HA3 GLY 18 2HA GLY 18 0.695 7.678 -9.948 118 H PHE 19 H PHE 19 2.310 9.767 -10.001 119 HA PHE 19 HA PHE 19 2.676 10.594 -7.201 120 HB2 PHE 19 1HB PHE 19 3.902 11.750 -9.715 121 HB3 PHE 19 2HB PHE 19 4.201 12.321 -8.076 122 HD1 PHE 19 HD1 PHE 19 4.615 9.426 -10.341 123 HD2 PHE 19 HD2 PHE 19 5.819 11.305 -6.716 124 HE1 PHE 19 HE1 PHE 19 6.462 7.816 -10.123 125 HE2 PHE 19 HE2 PHE 19 7.668 9.699 -6.493 126 HZ PHE 19 HZ PHE 19 7.993 7.952 -8.199 127 H PHE 20 H PHE 20 2.291 12.960 -6.805 128 HA PHE 20 HA PHE 20 -0.277 13.690 -7.993 129 HB2 PHE 20 1HB PHE 20 0.196 13.584 -5.452 130 HB3 PHE 20 2HB PHE 20 1.035 15.114 -5.692 131 HD1 PHE 20 HD1 PHE 20 -2.238 13.459 -6.321 132 HD2 PHE 20 HD2 PHE 20 -0.149 17.096 -5.592 133 HE1 PHE 20 HE1 PHE 20 -4.383 14.653 -6.151 134 HE2 PHE 20 HE2 PHE 20 -2.291 18.295 -5.421 135 HZ PHE 20 HZ PHE 20 -4.410 17.074 -5.700 136 H VAL 21 H VAL 21 0.077 14.736 -9.879 137 HA VAL 21 HA VAL 21 1.779 17.141 -9.771 138 HB VAL 21 HB VAL 21 1.348 15.334 -12.155 139 HG11 VAL 21 1HG1 VAL 21 3.470 17.101 -12.613 140 HG12 VAL 21 2HG1 VAL 21 1.887 17.102 -13.391 141 HG13 VAL 21 3HG1 VAL 21 2.164 18.084 -11.952 142 HG21 VAL 21 3HG2 VAL 21 3.859 15.852 -10.565 143 HG22 VAL 21 1HG2 VAL 21 2.852 14.410 -10.423 144 HG23 VAL 21 2HG2 VAL 21 3.684 14.759 -11.938 145 H ASP 22 H ASP 22 0.969 19.005 -10.628 146 HA ASP 22 HA ASP 22 -0.570 20.511 -11.363 147 HB2 ASP 22 1HB ASP 22 -1.205 18.088 -12.986 148 HB3 ASP 22 2HB ASP 22 -2.345 19.431 -13.012 149 H GLY 23 H GLY 23 -1.025 19.456 -8.860 150 HA2 GLY 23 1HA GLY 23 -2.644 19.275 -7.244 151 HA3 GLY 23 2HA GLY 23 -3.668 20.179 -8.350 152 H LYS 24 H LYS 24 -2.354 17.111 -9.306 153 HA LYS 24 HA LYS 24 -4.665 15.597 -8.487 154 HB2 LYS 24 1HB LYS 24 -4.328 16.573 -11.285 155 HB3 LYS 24 2HB LYS 24 -4.950 14.945 -11.044 156 HG2 LYS 24 1HG LYS 24 -6.651 16.032 -9.469 157 HG3 LYS 24 2HG LYS 24 -6.157 17.557 -10.209 158 HD2 LYS 24 1HD LYS 24 -6.774 16.720 -12.403 159 HD3 LYS 24 2HD LYS 24 -7.190 15.151 -11.711 160 HE2 LYS 24 1HE LYS 24 -8.800 16.547 -10.216 161 HE3 LYS 24 2HE LYS 24 -8.610 17.772 -11.469 162 HZ1 LYS 24 3HZ LYS 24 -10.463 16.556 -12.123 163 HZ2 LYS 24 1HZ LYS 24 -9.776 15.069 -11.701 164 HZ3 LYS 24 2HZ LYS 24 -9.221 15.900 -13.066 165 H PHE 25 H PHE 25 -4.458 13.328 -8.926 166 HA PHE 25 HA PHE 25 -1.722 12.457 -8.875 167 HB2 PHE 25 1HB PHE 25 -4.387 11.170 -8.514 168 HB3 PHE 25 2HB PHE 25 -3.021 10.138 -8.925 169 HD1 PHE 25 HD1 PHE 25 -0.823 10.755 -7.476 170 HD2 PHE 25 HD2 PHE 25 -4.865 11.368 -6.289 171 HE1 PHE 25 HE1 PHE 25 -0.130 10.728 -5.115 172 HE2 PHE 25 HE2 PHE 25 -4.178 11.343 -3.927 173 HZ PHE 25 HZ PHE 25 -1.809 11.024 -3.337 174 H LEU 26 H LEU 26 -1.243 10.353 -10.198 175 HA LEU 26 HA LEU 26 -2.058 10.826 -12.991 176 HB2 LEU 26 1HB LEU 26 0.632 9.829 -12.072 177 HB3 LEU 26 2HB LEU 26 0.150 10.222 -13.722 178 HG LEU 26 HG LEU 26 0.581 12.151 -11.443 179 HD11 LEU 26 1HD1 LEU 26 2.041 12.741 -13.809 180 HD12 LEU 26 2HD1 LEU 26 2.314 11.050 -13.391 181 HD13 LEU 26 3HD1 LEU 26 2.652 12.314 -12.210 182 HD21 LEU 26 3HD2 LEU 26 0.166 13.875 -13.238 183 HD22 LEU 26 1HD2 LEU 26 -1.258 13.006 -12.663 184 HD23 LEU 26 2HD2 LEU 26 -0.526 12.575 -14.208 185 H CYS 27 H CYS 27 -1.970 8.670 -10.420 186 HA CYS 27 HA CYS 27 -1.915 6.272 -12.071 187 HB2 CYS 27 1HB CYS 27 -2.248 5.116 -9.843 188 HB3 CYS 27 2HB CYS 27 -0.760 6.043 -10.002 189 H CYS 28 H CYS 28 -4.162 7.880 -9.826 190 HA CYS 28 HA CYS 28 -6.371 6.483 -11.190 191 HB2 CYS 28 1HB CYS 28 -7.613 6.833 -8.987 192 HB3 CYS 28 2HB CYS 28 -6.334 5.623 -8.988 193 H GLN 29 H GLN 29 -4.975 9.217 -11.474 194 HA GLN 29 HA GLN 29 -5.533 11.421 -11.761 195 HB2 GLN 29 1HB GLN 29 -8.076 10.138 -12.771 196 HB3 GLN 29 2HB GLN 29 -7.498 11.748 -13.177 197 HG2 GLN 29 1HG GLN 29 -6.264 9.113 -13.930 198 HG3 GLN 29 2HG GLN 29 -7.005 10.303 -14.999 199 HE21 GLN 29 1HE2 GLN 29 -5.880 12.620 -13.965 200 HE22 GLN 29 2HE2 GLN 29 -4.184 12.611 -14.290 201 H GLN 30 H GLN 30 -6.299 10.216 -9.157 202 HA GLN 30 HA GLN 30 -8.795 11.407 -8.401 203 HB2 GLN 30 1HB GLN 30 -6.570 10.083 -6.865 204 HB3 GLN 30 2HB GLN 30 -7.937 10.833 -6.051 205 HG2 GLN 30 1HG GLN 30 -9.464 9.344 -7.238 206 HG3 GLN 30 2HG GLN 30 -8.095 8.593 -8.055 207 HE21 GLN 30 1HE2 GLN 30 -9.864 7.100 -6.590 208 HE22 GLN 30 2HE2 GLN 30 -9.082 6.501 -5.171 209 H SER 31 H SER 31 -9.176 13.337 -7.462 210 HA SER 31 HA SER 31 -7.068 15.303 -7.529 211 HB2 SER 31 1HB SER 31 -9.479 15.718 -8.222 212 HB3 SER 31 2HB SER 31 -9.881 15.703 -6.505 213 HG SER 31 HG SER 31 -8.565 17.614 -8.004 214 H CYS 32 H CYS 32 -8.833 13.499 -5.106 215 HA CYS 32 HA CYS 32 -8.011 15.039 -2.865 216 HB2 CYS 32 1HB CYS 32 -9.133 12.268 -3.197 217 HB3 CYS 32 2HB CYS 32 -8.611 12.853 -1.620 218 H LYS 33 H LYS 33 -5.908 15.328 -2.463 219 HA LYS 33 HA LYS 33 -3.828 13.597 -3.164 220 HB2 LYS 33 1HB LYS 33 -3.859 16.109 -2.325 221 HB3 LYS 33 2HB LYS 33 -3.550 15.355 -0.766 222 HG2 LYS 33 1HG LYS 33 -1.866 14.598 -3.104 223 HG3 LYS 33 2HG LYS 33 -1.578 16.137 -2.288 224 HD2 LYS 33 1HD LYS 33 -1.787 13.578 -0.736 225 HD3 LYS 33 2HD LYS 33 -0.270 14.054 -1.504 226 HE2 LYS 33 1HE LYS 33 -0.082 15.985 -0.185 227 HE3 LYS 33 2HE LYS 33 -1.777 15.925 0.298 228 HZ1 LYS 33 3HZ LYS 33 -1.378 14.278 1.824 229 HZ2 LYS 33 1HZ LYS 33 0.066 15.154 1.929 230 HZ3 LYS 33 2HZ LYS 33 0.013 13.715 1.042 231 H ALA 34 H ALA 34 -5.808 13.774 -0.272 232 HA ALA 34 HA ALA 34 -4.239 11.683 1.027 233 HB1 ALA 34 3HB ALA 34 -6.724 12.885 2.183 234 HB2 ALA 34 1HB ALA 34 -5.311 12.226 3.008 235 HB3 ALA 34 2HB ALA 34 -5.206 13.784 2.186 236 H ALA 35 H ALA 35 -5.591 10.945 -1.353 237 HA ALA 35 HA ALA 35 -7.977 9.496 -0.560 238 HB1 ALA 35 3HB ALA 35 -6.532 9.553 -3.207 239 HB2 ALA 35 1HB ALA 35 -8.113 8.832 -2.901 240 HB3 ALA 35 2HB ALA 35 -7.895 10.577 -2.752 241 HA PRO 36 HA PRO 36 -6.049 5.657 0.360 242 HB2 PRO 36 1HB PRO 36 -8.005 3.930 -0.390 243 HB3 PRO 36 2HB PRO 36 -8.115 4.938 1.059 244 HG2 PRO 36 1HG PRO 36 -9.326 5.369 -1.645 245 HG3 PRO 36 2HG PRO 36 -10.052 5.599 -0.043 246 HD2 PRO 36 1HD PRO 36 -9.092 7.658 -1.518 247 HD3 PRO 36 2HD PRO 36 -9.046 7.651 0.256 248 H GLY 37 H GLY 37 -4.580 4.432 -0.654 249 HA2 GLY 37 1HA GLY 37 -3.795 4.560 -3.218 250 HA3 GLY 37 2HA GLY 37 -3.649 3.074 -2.292 251 H CYS 38 H CYS 38 -5.009 4.525 -5.000 252 HA CYS 38 HA CYS 38 -7.429 3.309 -5.416 253 HB2 CYS 38 1HB CYS 38 -6.798 3.322 -7.874 254 HB3 CYS 38 2HB CYS 38 -6.653 4.864 -7.036 255 H THR 39 H THR 39 -4.230 1.891 -5.650 256 HA THR 39 HA THR 39 -5.064 -0.545 -6.871 257 HB THR 39 HB THR 39 -2.833 -1.407 -6.132 258 HG1 THR 39 HG1 THR 39 -2.465 1.240 -5.142 259 HG21 THR 39 3HG2 THR 39 -3.303 -0.001 -8.242 260 HG22 THR 39 1HG2 THR 39 -1.628 -0.199 -7.729 261 HG23 THR 39 2HG2 THR 39 -2.486 1.302 -7.378 262 H LEU 40 H LEU 40 -6.359 -1.971 -5.924 263 HA LEU 40 HA LEU 40 -5.907 -2.603 -3.085 264 HB2 LEU 40 1HB LEU 40 -8.037 -1.217 -3.782 265 HB3 LEU 40 2HB LEU 40 -8.646 -2.807 -4.240 266 HG LEU 40 HG LEU 40 -7.612 -2.194 -1.481 267 HD11 LEU 40 1HD1 LEU 40 -9.557 -0.731 -2.218 268 HD12 LEU 40 2HD1 LEU 40 -9.782 -1.685 -0.752 269 HD13 LEU 40 3HD1 LEU 40 -10.508 -2.214 -2.270 270 HD21 LEU 40 3HD2 LEU 40 -9.321 -4.139 -1.091 271 HD22 LEU 40 1HD2 LEU 40 -7.687 -4.483 -1.659 272 HD23 LEU 40 2HD2 LEU 40 -9.030 -4.461 -2.801 273 H TRP 41 H TRP 41 -5.493 -4.679 -2.741 274 HA TRP 41 HA TRP 41 -5.341 -6.582 -4.780 275 HB2 TRP 41 1HB TRP 41 -5.702 -7.357 -1.899 276 HB3 TRP 41 2HB TRP 41 -4.701 -8.119 -3.130 277 HD1 TRP 41 HD1 TRP 41 -4.085 -6.500 -0.108 278 HE1 TRP 41 HE1 TRP 41 -1.928 -5.096 -0.098 279 HE3 TRP 41 HE3 TRP 41 -3.350 -6.104 -5.152 280 HZ2 TRP 41 HZ2 TRP 41 -0.150 -3.970 -1.978 281 HZ3 TRP 41 HZ3 TRP 41 -1.397 -4.846 -5.963 282 HH2 TRP 41 HH2 TRP 41 0.168 -3.801 -4.408 283 H GLU 42 H GLU 42 -6.814 -7.811 -5.747 284 HA GLU 42 HA GLU 42 -9.321 -8.407 -4.339 285 HB2 GLU 42 1HB GLU 42 -9.045 -7.291 -7.129 286 HB3 GLU 42 2HB GLU 42 -10.509 -8.078 -6.555 287 HG2 GLU 42 1HG GLU 42 -10.943 -6.394 -4.992 288 HG3 GLU 42 2HG GLU 42 -9.306 -5.750 -5.103 289 H ALA 43 H ALA 43 -9.935 -10.475 -4.485 290 HA ALA 43 HA ALA 43 -8.444 -12.211 -6.333 291 HB1 ALA 43 3HB ALA 43 -9.296 -12.485 -3.564 292 HB2 ALA 43 1HB ALA 43 -9.716 -13.882 -4.555 293 HB3 ALA 43 2HB ALA 43 -8.039 -13.344 -4.453 294 H TYR 44 H TYR 44 -11.695 -11.750 -4.959 295 HA TYR 44 HA TYR 44 -13.767 -12.299 -5.725 296 HB2 TYR 44 1HB TYR 44 -12.890 -10.695 -7.519 297 HB3 TYR 44 2HB TYR 44 -12.614 -12.128 -8.504 298 HD1 TYR 44 HD1 TYR 44 -15.321 -10.488 -6.518 299 HD2 TYR 44 HD2 TYR 44 -14.304 -12.845 -9.910 300 HE1 TYR 44 HE1 TYR 44 -17.665 -10.420 -7.259 301 HE2 TYR 44 HE2 TYR 44 -16.646 -12.783 -10.662 302 HH TYR 44 HH TYR 44 -19.124 -12.188 -8.909 303 H SER 45 H SER 45 -12.213 -14.488 -5.019 304 HA SER 45 HA SER 45 -12.537 -16.493 -7.104 305 HB2 SER 45 1HB SER 45 -11.433 -18.010 -5.471 306 HB3 SER 45 2HB SER 45 -10.480 -16.565 -5.807 307 HG SER 45 HG SER 45 -10.850 -17.289 -3.503 308 H GLY 46 H GLY 46 -13.760 -15.792 -3.849 309 HA2 GLY 46 1HA GLY 46 -16.097 -17.470 -4.468 310 HA3 GLY 46 2HA GLY 46 -15.234 -17.716 -2.957 311 HA PRO 47 HA PRO 47 -18.641 -14.487 -2.508 312 HB2 PRO 47 1HB PRO 47 -20.166 -15.876 -0.742 313 HB3 PRO 47 2HB PRO 47 -20.373 -15.997 -2.494 314 HG2 PRO 47 1HG PRO 47 -18.928 -17.836 -0.627 315 HG3 PRO 47 2HG PRO 47 -20.010 -18.235 -1.973 316 HD2 PRO 47 1HD PRO 47 -17.313 -18.352 -2.189 317 HD3 PRO 47 2HD PRO 47 -18.363 -17.922 -3.555 318 H SER 48 H SER 48 -18.635 -13.026 -0.864 319 HA SER 48 HA SER 48 -17.202 -13.771 1.601 320 HB2 SER 48 1HB SER 48 -15.842 -12.305 0.114 321 HB3 SER 48 2HB SER 48 -17.103 -11.076 0.225 322 HG SER 48 HG SER 48 -16.098 -12.104 2.611 323 H SER 49 H SER 49 -19.395 -11.319 0.228 324 HA SER 49 HA SER 49 -21.093 -10.112 1.158 325 HB2 SER 49 1HB SER 49 -21.459 -12.854 2.342 326 HB3 SER 49 2HB SER 49 -22.570 -11.541 2.736 327 HG SER 49 HG SER 49 -22.672 -11.315 0.315 328 H GLY 50 H GLY 50 -18.645 -9.599 2.367 329 HA2 GLY 50 1HA GLY 50 -19.354 -9.351 5.222 330 HA3 GLY 50 2HA GLY 50 -17.709 -9.403 4.611 Start of MODEL 3 1 H1 GLY 1 H GLY 1 5.666 14.605 20.171 2 HA2 GLY 1 1HA GLY 1 6.721 12.432 21.379 3 HA3 GLY 1 2HA GLY 1 6.427 12.483 19.647 4 H SER 2 H SER 2 8.693 11.778 21.881 5 HA SER 2 HA SER 2 10.879 12.322 19.987 6 HB2 SER 2 1HB SER 2 12.387 12.663 21.946 7 HB3 SER 2 2HB SER 2 11.135 13.896 21.812 8 HG SER 2 HG SER 2 10.662 11.619 23.380 9 H SER 3 H SER 3 12.842 10.925 20.515 10 HA SER 3 HA SER 3 13.709 8.816 20.473 11 HB2 SER 3 1HB SER 3 11.976 8.718 22.943 12 HB3 SER 3 2HB SER 3 13.047 7.394 22.483 13 HG SER 3 HG SER 3 14.128 9.963 22.563 14 H GLY 4 H GLY 4 11.600 9.145 18.696 15 HA2 GLY 4 1HA GLY 4 9.615 7.129 18.913 16 HA3 GLY 4 2HA GLY 4 10.070 7.976 17.441 17 H SER 5 H SER 5 10.018 6.186 16.117 18 HA SER 5 HA SER 5 12.378 4.562 16.127 19 HB2 SER 5 1HB SER 5 10.701 3.455 17.768 20 HB3 SER 5 2HB SER 5 9.810 3.005 16.315 21 HG SER 5 HG SER 5 11.341 1.626 15.782 22 H SER 6 H SER 6 12.930 4.236 14.078 23 HA SER 6 HA SER 6 11.218 5.019 11.946 24 HB2 SER 6 1HB SER 6 13.969 3.837 12.122 25 HB3 SER 6 2HB SER 6 13.152 3.921 10.562 26 HG SER 6 HG SER 6 12.990 6.155 10.817 27 H GLY 7 H GLY 7 9.702 3.862 10.967 28 HA2 GLY 7 1HA GLY 7 9.597 0.977 11.426 29 HA3 GLY 7 2HA GLY 7 8.300 1.973 10.784 30 H ASN 8 H ASN 8 7.809 1.118 8.863 31 HA ASN 8 HA ASN 8 9.536 1.408 6.661 32 HB2 ASN 8 1HB ASN 8 10.768 -0.478 7.399 33 HB3 ASN 8 2HB ASN 8 9.306 -1.365 7.822 34 HD21 ASN 8 1HD2 ASN 8 11.710 -1.559 5.825 35 HD22 ASN 8 2HD2 ASN 8 10.941 -2.125 4.385 36 HA PRO 9 HA PRO 9 5.599 1.229 4.702 37 HB2 PRO 9 1HB PRO 9 6.408 0.945 2.125 38 HB3 PRO 9 2HB PRO 9 6.549 2.467 3.015 39 HG2 PRO 9 1HG PRO 9 8.632 0.383 2.483 40 HG3 PRO 9 2HG PRO 9 8.769 2.149 2.400 41 HD2 PRO 9 1HD PRO 9 9.661 0.717 4.518 42 HD3 PRO 9 2HD PRO 9 9.016 2.364 4.680 43 H HIS 10 H HIS 10 4.375 -0.532 5.019 44 HA HIS 10 HA HIS 10 5.110 -3.182 4.797 45 HB2 HIS 10 1HB HIS 10 2.363 -2.000 4.344 46 HB3 HIS 10 2HB HIS 10 2.701 -3.693 4.688 47 HD2 HIS 10 HD2 HIS 10 0.839 -2.428 6.863 48 HE1 HIS 10 HE1 HIS 10 4.320 -1.737 9.188 49 HE2 HIS 10 HE2 HIS 10 1.814 -1.987 9.217 50 H LEU 11 H LEU 11 4.526 -4.819 3.230 51 HA LEU 11 HA LEU 11 4.838 -3.824 0.495 52 HB2 LEU 11 1HB LEU 11 5.548 -6.044 -0.080 53 HB3 LEU 11 2HB LEU 11 6.433 -5.498 1.342 54 HG LEU 11 HG LEU 11 4.003 -7.176 1.736 55 HD11 LEU 11 1HD1 LEU 11 6.482 -8.034 0.387 56 HD12 LEU 11 2HD1 LEU 11 4.852 -8.702 0.308 57 HD13 LEU 11 3HD1 LEU 11 5.892 -9.078 1.680 58 HD21 LEU 11 3HD2 LEU 11 6.248 -6.222 3.268 59 HD22 LEU 11 1HD2 LEU 11 6.143 -7.981 3.338 60 HD23 LEU 11 2HD2 LEU 11 4.760 -6.996 3.817 61 H LEU 12 H LEU 12 2.629 -5.559 2.554 62 HA LEU 12 HA LEU 12 0.864 -6.125 0.282 63 HB2 LEU 12 1HB LEU 12 -0.322 -7.610 1.718 64 HB3 LEU 12 2HB LEU 12 1.402 -7.939 1.889 65 HG LEU 12 HG LEU 12 0.095 -6.125 3.860 66 HD11 LEU 12 1HD1 LEU 12 -1.073 -8.543 3.347 67 HD12 LEU 12 2HD1 LEU 12 -1.139 -7.680 4.883 68 HD13 LEU 12 3HD1 LEU 12 0.069 -8.941 4.631 69 HD21 LEU 12 3HD2 LEU 12 2.555 -7.642 3.567 70 HD22 LEU 12 1HD2 LEU 12 1.768 -7.920 5.122 71 HD23 LEU 12 2HD2 LEU 12 2.183 -6.279 4.624 72 H VAL 13 H VAL 13 1.177 -3.432 1.063 73 HA VAL 13 HA VAL 13 -1.516 -2.862 2.118 74 HB VAL 13 HB VAL 13 0.276 -2.232 3.728 75 HG11 VAL 13 1HG1 VAL 13 1.059 -0.211 1.631 76 HG12 VAL 13 2HG1 VAL 13 1.758 -0.387 3.242 77 HG13 VAL 13 3HG1 VAL 13 1.985 -1.655 2.038 78 HG21 VAL 13 3HG2 VAL 13 -0.563 0.420 3.308 79 HG22 VAL 13 1HG2 VAL 13 -1.869 -0.616 2.734 80 HG23 VAL 13 2HG2 VAL 13 -1.274 -0.782 4.385 81 H LYS 14 H LYS 14 -2.785 -1.701 0.824 82 HA LYS 14 HA LYS 14 -2.307 -1.126 -1.790 83 HB2 LYS 14 1HB LYS 14 -4.174 0.435 -1.708 84 HB3 LYS 14 2HB LYS 14 -4.524 -0.984 -0.729 85 HG2 LYS 14 1HG LYS 14 -4.284 0.184 1.270 86 HG3 LYS 14 2HG LYS 14 -3.397 1.502 0.501 87 HD2 LYS 14 1HD LYS 14 -5.439 2.499 0.723 88 HD3 LYS 14 2HD LYS 14 -5.656 1.744 -0.858 89 HE2 LYS 14 1HE LYS 14 -7.584 1.102 0.220 90 HE3 LYS 14 2HE LYS 14 -6.531 -0.274 0.547 91 HZ1 LYS 14 3HZ LYS 14 -7.875 0.850 2.456 92 HZ2 LYS 14 1HZ LYS 14 -6.589 1.950 2.461 93 HZ3 LYS 14 2HZ LYS 14 -6.297 0.305 2.731 94 H TYR 15 H TYR 15 -1.532 0.571 -2.998 95 HA TYR 15 HA TYR 15 -0.519 2.944 -1.653 96 HB2 TYR 15 1HB TYR 15 1.729 2.701 -2.280 97 HB3 TYR 15 2HB TYR 15 1.283 1.104 -1.689 98 HD1 TYR 15 HD2 TYR 15 0.135 -0.358 -3.736 99 HD2 TYR 15 HD1 TYR 15 3.104 2.666 -4.120 100 HE1 TYR 15 HE2 TYR 15 0.866 -1.354 -5.863 101 HE2 TYR 15 HE1 TYR 15 3.841 1.680 -6.249 102 HH TYR 15 HH TYR 15 3.003 0.249 -8.004 103 H HIS 16 H HIS 16 0.491 4.463 -3.342 104 HA HIS 16 HA HIS 16 -1.335 4.541 -5.623 105 HB2 HIS 16 1HB HIS 16 0.285 6.578 -4.152 106 HB3 HIS 16 2HB HIS 16 -0.163 6.899 -5.825 107 HD2 HIS 16 HD2 HIS 16 -1.535 7.616 -2.464 108 HE1 HIS 16 HE1 HIS 16 -4.949 7.302 -4.963 109 HE2 HIS 16 HE2 HIS 16 -4.054 8.125 -2.758 110 H SER 17 H SER 17 -0.649 3.672 -7.458 111 HA SER 17 HA SER 17 2.165 3.316 -7.994 112 HB2 SER 17 1HB SER 17 1.433 2.105 -9.979 113 HB3 SER 17 2HB SER 17 0.496 1.574 -8.582 114 HG SER 17 HG SER 17 -1.246 2.291 -9.507 115 H GLY 18 H GLY 18 1.523 6.020 -7.794 116 HA2 GLY 18 1HA GLY 18 2.512 6.959 -10.327 117 HA3 GLY 18 2HA GLY 18 0.856 7.456 -10.016 118 H PHE 19 H PHE 19 2.197 9.558 -10.283 119 HA PHE 19 HA PHE 19 3.091 10.405 -7.605 120 HB2 PHE 19 1HB PHE 19 4.004 11.531 -10.261 121 HB3 PHE 19 2HB PHE 19 4.596 11.992 -8.668 122 HD1 PHE 19 HD2 PHE 19 5.740 10.179 -7.270 123 HD2 PHE 19 HD1 PHE 19 5.036 9.830 -11.453 124 HE1 PHE 19 HE2 PHE 19 7.483 8.449 -7.416 125 HE2 PHE 19 HE1 PHE 19 6.778 8.099 -11.606 126 HZ PHE 19 HZ PHE 19 8.005 7.408 -9.586 127 H PHE 20 H PHE 20 2.700 12.668 -7.077 128 HA PHE 20 HA PHE 20 0.104 13.527 -8.102 129 HB2 PHE 20 1HB PHE 20 0.383 13.332 -5.666 130 HB3 PHE 20 2HB PHE 20 1.690 14.512 -5.721 131 HD1 PHE 20 HD1 PHE 20 -1.934 14.034 -6.185 132 HD2 PHE 20 HD2 PHE 20 1.248 16.834 -5.799 133 HE1 PHE 20 HE1 PHE 20 -3.571 15.850 -5.907 134 HE2 PHE 20 HE2 PHE 20 -0.384 18.654 -5.519 135 HZ PHE 20 HZ PHE 20 -2.796 18.164 -5.572 136 H VAL 21 H VAL 21 0.341 14.684 -9.929 137 HA VAL 21 HA VAL 21 2.037 17.082 -9.784 138 HB VAL 21 HB VAL 21 1.732 15.353 -12.243 139 HG11 VAL 21 1HG1 VAL 21 2.752 16.956 -13.433 140 HG12 VAL 21 2HG1 VAL 21 2.235 18.029 -12.131 141 HG13 VAL 21 3HG1 VAL 21 3.865 17.356 -12.125 142 HG21 VAL 21 3HG2 VAL 21 4.092 15.703 -10.395 143 HG22 VAL 21 1HG2 VAL 21 3.119 14.245 -10.585 144 HG23 VAL 21 2HG2 VAL 21 4.113 14.823 -11.923 145 H ASP 22 H ASP 22 1.142 18.928 -10.552 146 HA ASP 22 HA ASP 22 -0.368 20.363 -11.488 147 HB2 ASP 22 1HB ASP 22 -0.360 18.484 -13.324 148 HB3 ASP 22 2HB ASP 22 -1.950 18.107 -12.664 149 H GLY 23 H GLY 23 -0.674 19.385 -8.869 150 HA2 GLY 23 1HA GLY 23 -2.198 19.392 -7.154 151 HA3 GLY 23 2HA GLY 23 -3.265 20.253 -8.254 152 H LYS 24 H LYS 24 -2.017 17.028 -8.847 153 HA LYS 24 HA LYS 24 -4.248 15.609 -7.831 154 HB2 LYS 24 1HB LYS 24 -5.436 15.065 -9.824 155 HB3 LYS 24 2HB LYS 24 -5.291 16.817 -9.780 156 HG2 LYS 24 1HG LYS 24 -3.419 16.693 -11.357 157 HG3 LYS 24 2HG LYS 24 -3.601 14.938 -11.418 158 HD2 LYS 24 1HD LYS 24 -5.633 15.064 -12.542 159 HD3 LYS 24 2HD LYS 24 -5.920 16.731 -12.037 160 HE2 LYS 24 1HE LYS 24 -4.122 17.491 -13.497 161 HE3 LYS 24 2HE LYS 24 -3.791 15.827 -13.976 162 HZ1 LYS 24 3HZ LYS 24 -5.188 16.266 -15.644 163 HZ2 LYS 24 1HZ LYS 24 -5.850 17.625 -14.884 164 HZ3 LYS 24 2HZ LYS 24 -6.423 16.080 -14.504 165 H PHE 25 H PHE 25 -4.294 13.311 -8.778 166 HA PHE 25 HA PHE 25 -1.538 12.389 -8.895 167 HB2 PHE 25 1HB PHE 25 -4.165 10.938 -8.555 168 HB3 PHE 25 2HB PHE 25 -2.615 10.112 -8.679 169 HD1 PHE 25 HD1 PHE 25 -0.912 10.413 -6.917 170 HD2 PHE 25 HD2 PHE 25 -4.841 12.010 -6.551 171 HE1 PHE 25 HE1 PHE 25 -0.572 10.686 -4.494 172 HE2 PHE 25 HE2 PHE 25 -4.507 12.286 -4.129 173 HZ PHE 25 HZ PHE 25 -2.371 11.625 -3.099 174 H LEU 26 H LEU 26 -1.222 10.359 -10.346 175 HA LEU 26 HA LEU 26 -2.361 10.927 -13.003 176 HB2 LEU 26 1HB LEU 26 0.412 9.884 -12.474 177 HB3 LEU 26 2HB LEU 26 -0.266 10.397 -14.018 178 HG LEU 26 HG LEU 26 0.331 12.211 -11.681 179 HD11 LEU 26 1HD1 LEU 26 1.947 13.038 -13.659 180 HD12 LEU 26 2HD1 LEU 26 1.915 11.308 -13.999 181 HD13 LEU 26 3HD1 LEU 26 2.438 11.886 -12.417 182 HD21 LEU 26 3HD2 LEU 26 -0.032 13.988 -13.415 183 HD22 LEU 26 1HD2 LEU 26 -1.484 13.114 -12.926 184 HD23 LEU 26 2HD2 LEU 26 -0.702 12.736 -14.461 185 H CYS 27 H CYS 27 -1.485 8.570 -10.626 186 HA CYS 27 HA CYS 27 -1.777 6.282 -12.329 187 HB2 CYS 27 1HB CYS 27 -1.898 5.083 -10.047 188 HB3 CYS 27 2HB CYS 27 -0.397 5.898 -10.475 189 H CYS 28 H CYS 28 -3.818 7.938 -9.957 190 HA CYS 28 HA CYS 28 -6.092 6.308 -10.880 191 HB2 CYS 28 1HB CYS 28 -7.092 7.219 -8.624 192 HB3 CYS 28 2HB CYS 28 -6.009 5.830 -8.622 193 H GLN 29 H GLN 29 -4.787 9.472 -10.568 194 HA GLN 29 HA GLN 29 -5.531 11.537 -11.165 195 HB2 GLN 29 1HB GLN 29 -7.441 9.911 -12.853 196 HB3 GLN 29 2HB GLN 29 -7.150 11.636 -13.035 197 HG2 GLN 29 1HG GLN 29 -4.821 9.801 -13.160 198 HG3 GLN 29 2HG GLN 29 -5.925 9.852 -14.533 199 HE21 GLN 29 1HE2 GLN 29 -3.309 10.599 -14.808 200 HE22 GLN 29 2HE2 GLN 29 -3.215 12.303 -15.078 201 H GLN 30 H GLN 30 -6.506 10.681 -8.750 202 HA GLN 30 HA GLN 30 -9.363 11.098 -8.644 203 HB2 GLN 30 1HB GLN 30 -7.230 10.507 -6.623 204 HB3 GLN 30 2HB GLN 30 -8.806 11.079 -6.091 205 HG2 GLN 30 1HG GLN 30 -9.681 9.147 -7.625 206 HG3 GLN 30 2HG GLN 30 -8.056 8.507 -7.381 207 HE21 GLN 30 1HE2 GLN 30 -8.223 6.925 -5.958 208 HE22 GLN 30 2HE2 GLN 30 -9.051 7.008 -4.444 209 H SER 31 H SER 31 -10.037 12.637 -6.696 210 HA SER 31 HA SER 31 -8.991 15.272 -7.432 211 HB2 SER 31 1HB SER 31 -11.468 14.757 -7.567 212 HB3 SER 31 2HB SER 31 -11.468 14.676 -5.806 213 HG SER 31 HG SER 31 -11.852 16.800 -7.147 214 H CYS 32 H CYS 32 -9.974 13.488 -4.507 215 HA CYS 32 HA CYS 32 -8.998 15.319 -2.638 216 HB2 CYS 32 1HB CYS 32 -9.453 12.344 -2.512 217 HB3 CYS 32 2HB CYS 32 -8.870 13.254 -1.122 218 H LYS 33 H LYS 33 -7.044 15.696 -1.739 219 HA LYS 33 HA LYS 33 -4.714 14.810 -3.112 220 HB2 LYS 33 1HB LYS 33 -5.132 16.418 -0.596 221 HB3 LYS 33 2HB LYS 33 -3.529 16.023 -1.205 222 HG2 LYS 33 1HG LYS 33 -4.236 17.113 -3.377 223 HG3 LYS 33 2HG LYS 33 -5.639 17.723 -2.498 224 HD2 LYS 33 1HD LYS 33 -4.145 19.472 -2.284 225 HD3 LYS 33 2HD LYS 33 -3.862 18.572 -0.793 226 HE2 LYS 33 1HE LYS 33 -2.083 17.339 -2.329 227 HE3 LYS 33 2HE LYS 33 -2.143 18.872 -3.198 228 HZ1 LYS 33 3HZ LYS 33 -0.523 18.462 -1.166 229 HZ2 LYS 33 1HZ LYS 33 -1.871 19.002 -0.297 230 HZ3 LYS 33 2HZ LYS 33 -1.187 19.983 -1.493 231 H ALA 34 H ALA 34 -5.985 14.196 0.153 232 HA ALA 34 HA ALA 34 -3.944 12.202 0.659 233 HB1 ALA 34 3HB ALA 34 -6.268 12.523 2.478 234 HB2 ALA 34 1HB ALA 34 -4.560 12.294 2.850 235 HB3 ALA 34 2HB ALA 34 -5.145 13.874 2.328 236 H ALA 35 H ALA 35 -5.545 11.579 -1.563 237 HA ALA 35 HA ALA 35 -7.673 9.821 -0.949 238 HB1 ALA 35 3HB ALA 35 -6.729 10.933 -3.234 239 HB2 ALA 35 1HB ALA 35 -6.183 9.266 -3.418 240 HB3 ALA 35 2HB ALA 35 -7.895 9.612 -3.175 241 HA PRO 36 HA PRO 36 -5.611 6.168 0.363 242 HB2 PRO 36 1HB PRO 36 -7.399 4.294 -0.456 243 HB3 PRO 36 2HB PRO 36 -7.689 5.363 0.923 244 HG2 PRO 36 1HG PRO 36 -8.682 5.592 -1.892 245 HG3 PRO 36 2HG PRO 36 -9.556 5.857 -0.372 246 HD2 PRO 36 1HD PRO 36 -8.584 7.894 -1.868 247 HD3 PRO 36 2HD PRO 36 -8.692 7.975 -0.097 248 H GLY 37 H GLY 37 -4.548 4.254 -0.396 249 HA2 GLY 37 1HA GLY 37 -3.270 4.516 -2.865 250 HA3 GLY 37 2HA GLY 37 -3.300 3.049 -1.897 251 H CYS 38 H CYS 38 -4.712 4.759 -4.569 252 HA CYS 38 HA CYS 38 -6.964 3.429 -5.223 253 HB2 CYS 38 1HB CYS 38 -6.276 3.658 -7.631 254 HB3 CYS 38 2HB CYS 38 -6.132 5.135 -6.683 255 H THR 39 H THR 39 -3.674 2.230 -5.805 256 HA THR 39 HA THR 39 -4.536 -0.236 -6.954 257 HB THR 39 HB THR 39 -1.844 0.445 -5.755 258 HG1 THR 39 HG1 THR 39 -1.375 0.728 -8.096 259 HG21 THR 39 3HG2 THR 39 -2.484 -2.010 -6.170 260 HG22 THR 39 1HG2 THR 39 -0.972 -1.424 -6.865 261 HG23 THR 39 2HG2 THR 39 -2.401 -1.599 -7.884 262 H LEU 40 H LEU 40 -6.071 -0.943 -5.350 263 HA LEU 40 HA LEU 40 -5.563 -1.422 -2.673 264 HB2 LEU 40 1HB LEU 40 -7.365 -2.681 -4.689 265 HB3 LEU 40 2HB LEU 40 -7.221 -3.409 -3.090 266 HG LEU 40 HG LEU 40 -9.177 -1.943 -3.274 267 HD11 LEU 40 1HD1 LEU 40 -7.351 -0.466 -1.457 268 HD12 LEU 40 2HD1 LEU 40 -7.585 -2.192 -1.179 269 HD13 LEU 40 3HD1 LEU 40 -8.972 -1.101 -1.167 270 HD21 LEU 40 3HD2 LEU 40 -8.384 -0.350 -4.897 271 HD22 LEU 40 1HD2 LEU 40 -7.126 0.206 -3.792 272 HD23 LEU 40 2HD2 LEU 40 -8.824 0.504 -3.417 273 H TRP 41 H TRP 41 -5.675 -3.871 -1.843 274 HA TRP 41 HA TRP 41 -3.200 -5.086 -2.825 275 HB2 TRP 41 1HB TRP 41 -3.707 -6.518 -0.629 276 HB3 TRP 41 2HB TRP 41 -2.919 -4.944 -0.560 277 HD1 TRP 41 HD1 TRP 41 -3.906 -3.417 1.225 278 HE1 TRP 41 HE1 TRP 41 -6.197 -3.136 2.365 279 HE3 TRP 41 HE3 TRP 41 -6.523 -7.000 -1.315 280 HZ2 TRP 41 HZ2 TRP 41 -8.772 -4.283 2.209 281 HZ3 TRP 41 HZ3 TRP 41 -8.895 -7.345 -0.760 282 HH2 TRP 41 HH2 TRP 41 -9.994 -6.014 0.967 283 H GLU 42 H GLU 42 -5.649 -5.376 -4.324 284 HA GLU 42 HA GLU 42 -6.680 -8.015 -3.829 285 HB2 GLU 42 1HB GLU 42 -7.933 -7.668 -5.928 286 HB3 GLU 42 2HB GLU 42 -8.138 -6.337 -4.798 287 HG2 GLU 42 1HG GLU 42 -6.570 -4.988 -6.046 288 HG3 GLU 42 2HG GLU 42 -6.251 -6.330 -7.142 289 H ALA 43 H ALA 43 -6.681 -9.668 -5.603 290 HA ALA 43 HA ALA 43 -4.253 -9.652 -7.235 291 HB1 ALA 43 3HB ALA 43 -3.399 -10.784 -5.379 292 HB2 ALA 43 1HB ALA 43 -4.902 -11.667 -5.109 293 HB3 ALA 43 2HB ALA 43 -3.874 -12.074 -6.484 294 H TYR 44 H TYR 44 -4.287 -11.146 -8.985 295 HA TYR 44 HA TYR 44 -6.859 -11.477 -10.144 296 HB2 TYR 44 1HB TYR 44 -4.631 -11.122 -11.351 297 HB3 TYR 44 2HB TYR 44 -4.341 -12.838 -11.089 298 HD1 TYR 44 HD1 TYR 44 -6.625 -10.415 -12.715 299 HD2 TYR 44 HD2 TYR 44 -5.341 -14.465 -12.481 300 HE1 TYR 44 HE1 TYR 44 -7.910 -10.933 -14.746 301 HE2 TYR 44 HE2 TYR 44 -6.623 -14.995 -14.514 302 HH TYR 44 HH TYR 44 -8.914 -13.657 -15.643 303 H SER 45 H SER 45 -8.200 -12.853 -9.097 304 HA SER 45 HA SER 45 -7.262 -15.625 -8.738 305 HB2 SER 45 1HB SER 45 -9.008 -15.794 -6.944 306 HB3 SER 45 2HB SER 45 -7.712 -14.657 -6.574 307 HG SER 45 HG SER 45 -10.379 -14.139 -7.309 308 H GLY 46 H GLY 46 -10.173 -13.660 -9.345 309 HA2 GLY 46 1HA GLY 46 -11.829 -15.763 -10.185 310 HA3 GLY 46 2HA GLY 46 -12.038 -14.072 -10.616 311 HA PRO 47 HA PRO 47 -10.681 -16.786 -14.285 312 HB2 PRO 47 1HB PRO 47 -13.068 -16.933 -15.570 313 HB3 PRO 47 2HB PRO 47 -12.540 -18.133 -14.383 314 HG2 PRO 47 1HG PRO 47 -14.401 -15.813 -14.033 315 HG3 PRO 47 2HG PRO 47 -14.552 -17.472 -13.423 316 HD2 PRO 47 1HD PRO 47 -13.700 -15.422 -11.872 317 HD3 PRO 47 2HD PRO 47 -13.124 -17.087 -11.656 318 H SER 48 H SER 48 -13.269 -14.326 -14.375 319 HA SER 48 HA SER 48 -11.630 -12.778 -16.259 320 HB2 SER 48 1HB SER 48 -13.367 -14.033 -17.524 321 HB3 SER 48 2HB SER 48 -14.609 -13.232 -16.563 322 HG SER 48 HG SER 48 -14.300 -12.130 -18.511 323 H SER 49 H SER 49 -11.440 -12.031 -13.789 324 HA SER 49 HA SER 49 -13.486 -9.990 -13.267 325 HB2 SER 49 1HB SER 49 -12.760 -9.979 -10.987 326 HB3 SER 49 2HB SER 49 -12.894 -11.670 -11.468 327 HG SER 49 HG SER 49 -10.702 -11.809 -11.598 328 H GLY 50 H GLY 50 -9.948 -10.411 -13.254 329 HA2 GLY 50 1HA GLY 50 -8.477 -8.878 -14.343 330 HA3 GLY 50 2HA GLY 50 -9.702 -7.630 -14.169 Start of MODEL 4 1 H1 GLY 1 H GLY 1 20.997 1.438 11.855 2 HA2 GLY 1 1HA GLY 1 20.829 4.287 12.543 3 HA3 GLY 1 2HA GLY 1 20.084 3.740 11.049 4 H SER 2 H SER 2 17.954 3.813 11.361 5 HA SER 2 HA SER 2 16.751 2.077 13.308 6 HB2 SER 2 1HB SER 2 17.261 4.235 14.565 7 HB3 SER 2 2HB SER 2 16.062 5.008 13.529 8 HG SER 2 HG SER 2 14.825 4.355 15.145 9 H SER 3 H SER 3 14.265 2.365 13.218 10 HA SER 3 HA SER 3 13.539 2.311 10.417 11 HB2 SER 3 1HB SER 3 12.678 0.563 11.886 12 HB3 SER 3 2HB SER 3 11.905 1.774 12.909 13 HG SER 3 HG SER 3 10.924 2.346 10.661 14 H GLY 4 H GLY 4 12.779 4.000 9.339 15 HA2 GLY 4 1HA GLY 4 11.772 6.303 10.859 16 HA3 GLY 4 2HA GLY 4 12.364 6.346 9.204 17 H SER 5 H SER 5 9.997 4.150 10.668 18 HA SER 5 HA SER 5 7.757 5.457 9.450 19 HB2 SER 5 1HB SER 5 9.029 3.099 8.133 20 HB3 SER 5 2HB SER 5 7.268 3.197 8.140 21 HG SER 5 HG SER 5 8.041 4.228 6.309 22 H SER 6 H SER 6 6.074 5.107 10.729 23 HA SER 6 HA SER 6 6.152 2.812 12.554 24 HB2 SER 6 1HB SER 6 5.928 4.866 13.744 25 HB3 SER 6 2HB SER 6 4.669 5.442 12.652 26 HG SER 6 HG SER 6 3.294 4.538 13.940 27 H GLY 7 H GLY 7 4.555 1.297 12.632 28 HA2 GLY 7 1HA GLY 7 3.031 0.805 10.324 29 HA3 GLY 7 2HA GLY 7 2.821 -0.000 11.873 30 H ASN 8 H ASN 8 1.527 2.235 9.663 31 HA ASN 8 HA ASN 8 -0.040 3.905 11.200 32 HB2 ASN 8 1HB ASN 8 -0.297 2.748 8.466 33 HB3 ASN 8 2HB ASN 8 -1.710 3.542 9.154 34 HD21 ASN 8 1HD2 ASN 8 -1.613 5.185 7.623 35 HD22 ASN 8 2HD2 ASN 8 -0.420 6.433 7.693 36 HA PRO 9 HA PRO 9 -3.155 1.514 13.157 37 HB2 PRO 9 1HB PRO 9 -5.341 3.107 12.917 38 HB3 PRO 9 2HB PRO 9 -3.995 3.479 14.001 39 HG2 PRO 9 1HG PRO 9 -4.580 4.555 11.269 40 HG3 PRO 9 2HG PRO 9 -4.030 5.419 12.717 41 HD2 PRO 9 1HD PRO 9 -2.348 4.707 10.718 42 HD3 PRO 9 2HD PRO 9 -1.835 4.782 12.415 43 H HIS 10 H HIS 10 -3.465 2.349 9.842 44 HA HIS 10 HA HIS 10 -5.930 1.047 9.291 45 HB2 HIS 10 1HB HIS 10 -3.607 1.856 7.542 46 HB3 HIS 10 2HB HIS 10 -5.049 1.077 6.901 47 HD2 HIS 10 HD2 HIS 10 -6.737 2.935 5.932 48 HE1 HIS 10 HE1 HIS 10 -5.814 6.079 8.626 49 HE2 HIS 10 HE2 HIS 10 -7.267 5.346 6.704 50 H LEU 11 H LEU 11 -6.376 -1.019 8.697 51 HA LEU 11 HA LEU 11 -4.302 -2.994 9.206 52 HB2 LEU 11 1HB LEU 11 -6.390 -3.408 10.268 53 HB3 LEU 11 2HB LEU 11 -7.271 -3.187 8.758 54 HG LEU 11 HG LEU 11 -5.877 -5.274 7.996 55 HD11 LEU 11 1HD1 LEU 11 -6.115 -6.322 10.689 56 HD12 LEU 11 2HD1 LEU 11 -4.924 -5.027 10.575 57 HD13 LEU 11 3HD1 LEU 11 -4.784 -6.448 9.538 58 HD21 LEU 11 3HD2 LEU 11 -7.978 -6.032 9.931 59 HD22 LEU 11 1HD2 LEU 11 -7.790 -6.460 8.231 60 HD23 LEU 11 2HD2 LEU 11 -8.437 -4.881 8.676 61 H LEU 12 H LEU 12 -6.379 -1.908 6.571 62 HA LEU 12 HA LEU 12 -4.899 -3.677 4.740 63 HB2 LEU 12 1HB LEU 12 -6.896 -3.044 3.196 64 HB3 LEU 12 2HB LEU 12 -7.087 -4.282 4.434 65 HG LEU 12 HG LEU 12 -7.860 -1.461 5.046 66 HD11 LEU 12 1HD1 LEU 12 -10.083 -1.840 4.174 67 HD12 LEU 12 2HD1 LEU 12 -9.610 -3.432 3.582 68 HD13 LEU 12 3HD1 LEU 12 -8.897 -1.981 2.877 69 HD21 LEU 12 3HD2 LEU 12 -8.893 -4.162 5.907 70 HD22 LEU 12 1HD2 LEU 12 -9.498 -2.605 6.471 71 HD23 LEU 12 2HD2 LEU 12 -7.846 -3.095 6.843 72 H VAL 13 H VAL 13 -3.661 -1.348 5.555 73 HA VAL 13 HA VAL 13 -4.038 0.972 4.148 74 HB VAL 13 HB VAL 13 -2.284 0.615 5.880 75 HG11 VAL 13 1HG1 VAL 13 -0.203 -0.188 4.036 76 HG12 VAL 13 2HG1 VAL 13 -0.609 -0.831 5.628 77 HG13 VAL 13 3HG1 VAL 13 -1.448 -1.425 4.195 78 HG21 VAL 13 3HG2 VAL 13 -1.952 2.078 3.361 79 HG22 VAL 13 1HG2 VAL 13 -1.831 2.643 5.028 80 HG23 VAL 13 2HG2 VAL 13 -0.460 1.833 4.267 81 H LYS 14 H LYS 14 -3.708 1.691 2.115 82 HA LYS 14 HA LYS 14 -2.693 -0.259 0.152 83 HB2 LYS 14 1HB LYS 14 -4.685 1.982 -0.246 84 HB3 LYS 14 2HB LYS 14 -4.096 0.913 -1.512 85 HG2 LYS 14 1HG LYS 14 -5.424 -0.213 0.917 86 HG3 LYS 14 2HG LYS 14 -6.384 0.440 -0.413 87 HD2 LYS 14 1HD LYS 14 -5.334 -1.102 -1.963 88 HD3 LYS 14 2HD LYS 14 -4.282 -1.711 -0.683 89 HE2 LYS 14 1HE LYS 14 -6.412 -2.338 0.554 90 HE3 LYS 14 2HE LYS 14 -7.260 -2.025 -0.959 91 HZ1 LYS 14 3HZ LYS 14 -5.650 -4.274 -0.202 92 HZ2 LYS 14 1HZ LYS 14 -5.214 -3.639 -1.708 93 HZ3 LYS 14 2HZ LYS 14 -6.805 -4.139 -1.430 94 H TYR 15 H TYR 15 -2.009 1.004 -1.957 95 HA TYR 15 HA TYR 15 -0.469 3.393 -1.240 96 HB2 TYR 15 1HB TYR 15 1.565 2.553 -2.108 97 HB3 TYR 15 2HB TYR 15 0.932 1.266 -1.087 98 HD1 TYR 15 HD2 TYR 15 0.082 -0.798 -2.068 99 HD2 TYR 15 HD1 TYR 15 1.672 2.299 -4.516 100 HE1 TYR 15 HE2 TYR 15 0.231 -2.372 -3.954 101 HE2 TYR 15 HE1 TYR 15 1.824 0.734 -6.407 102 HH TYR 15 HH TYR 15 1.343 -1.309 -7.150 103 H HIS 16 H HIS 16 0.381 4.537 -3.165 104 HA HIS 16 HA HIS 16 -1.513 4.287 -5.402 105 HB2 HIS 16 1HB HIS 16 -0.142 6.611 -4.122 106 HB3 HIS 16 2HB HIS 16 -0.537 6.712 -5.835 107 HD2 HIS 16 HD2 HIS 16 -2.166 7.393 -2.510 108 HE1 HIS 16 HE1 HIS 16 -5.342 6.951 -5.288 109 HE2 HIS 16 HE2 HIS 16 -4.677 7.776 -3.004 110 H SER 17 H SER 17 -0.805 3.864 -7.405 111 HA SER 17 HA SER 17 2.049 3.389 -7.761 112 HB2 SER 17 1HB SER 17 1.469 2.065 -9.643 113 HB3 SER 17 2HB SER 17 0.237 1.715 -8.430 114 HG SER 17 HG SER 17 -1.207 2.480 -9.740 115 H GLY 18 H GLY 18 1.230 6.105 -7.590 116 HA2 GLY 18 1HA GLY 18 2.423 7.087 -10.018 117 HA3 GLY 18 2HA GLY 18 0.722 7.503 -9.874 118 H PHE 19 H PHE 19 2.262 9.600 -10.046 119 HA PHE 19 HA PHE 19 2.892 10.490 -7.321 120 HB2 PHE 19 1HB PHE 19 3.610 11.818 -9.940 121 HB3 PHE 19 2HB PHE 19 4.206 12.252 -8.341 122 HD1 PHE 19 HD2 PHE 19 5.230 10.072 -7.063 123 HD2 PHE 19 HD1 PHE 19 5.098 10.711 -11.270 124 HE1 PHE 19 HE2 PHE 19 7.127 8.533 -7.353 125 HE2 PHE 19 HE1 PHE 19 6.994 9.171 -11.566 126 HZ PHE 19 HZ PHE 19 8.012 8.081 -9.606 127 H PHE 20 H PHE 20 2.625 13.105 -7.332 128 HA PHE 20 HA PHE 20 -0.189 13.589 -8.063 129 HB2 PHE 20 1HB PHE 20 0.266 13.371 -5.598 130 HB3 PHE 20 2HB PHE 20 1.278 14.806 -5.718 131 HD1 PHE 20 HD1 PHE 20 -2.174 13.551 -6.130 132 HD2 PHE 20 HD2 PHE 20 0.339 16.960 -5.702 133 HE1 PHE 20 HE1 PHE 20 -4.157 14.970 -5.805 134 HE2 PHE 20 HE2 PHE 20 -1.640 18.383 -5.375 135 HZ PHE 20 HZ PHE 20 -3.892 17.389 -5.425 136 H VAL 21 H VAL 21 -0.277 14.946 -9.724 137 HA VAL 21 HA VAL 21 1.403 17.358 -9.648 138 HB VAL 21 HB VAL 21 0.873 15.706 -12.122 139 HG11 VAL 21 1HG1 VAL 21 2.292 17.301 -13.276 140 HG12 VAL 21 2HG1 VAL 21 0.915 18.129 -12.544 141 HG13 VAL 21 3HG1 VAL 21 2.506 18.219 -11.785 142 HG21 VAL 21 3HG2 VAL 21 3.361 16.120 -10.476 143 HG22 VAL 21 1HG2 VAL 21 2.523 14.602 -10.805 144 HG23 VAL 21 2HG2 VAL 21 3.368 15.444 -12.104 145 H ASP 22 H ASP 22 0.508 19.204 -10.628 146 HA ASP 22 HA ASP 22 -1.201 20.669 -10.995 147 HB2 ASP 22 1HB ASP 22 -2.352 18.406 -12.636 148 HB3 ASP 22 2HB ASP 22 -2.671 20.126 -12.834 149 H GLY 23 H GLY 23 -1.483 19.461 -8.571 150 HA2 GLY 23 1HA GLY 23 -3.005 18.983 -6.919 151 HA3 GLY 23 2HA GLY 23 -4.123 19.937 -7.883 152 H LYS 24 H LYS 24 -2.619 16.912 -8.877 153 HA LYS 24 HA LYS 24 -4.855 15.272 -8.225 154 HB2 LYS 24 1HB LYS 24 -5.650 14.820 -10.488 155 HB3 LYS 24 2HB LYS 24 -5.849 16.521 -10.092 156 HG2 LYS 24 1HG LYS 24 -3.879 17.082 -11.390 157 HG3 LYS 24 2HG LYS 24 -3.605 15.375 -11.740 158 HD2 LYS 24 1HD LYS 24 -4.680 16.135 -13.655 159 HD3 LYS 24 2HD LYS 24 -5.998 15.429 -12.715 160 HE2 LYS 24 1HE LYS 24 -6.222 17.862 -11.775 161 HE3 LYS 24 2HE LYS 24 -5.367 18.297 -13.254 162 HZ1 LYS 24 3HZ LYS 24 -7.306 18.204 -14.291 163 HZ2 LYS 24 1HZ LYS 24 -8.089 17.615 -12.913 164 HZ3 LYS 24 2HZ LYS 24 -7.366 16.539 -13.998 165 H PHE 25 H PHE 25 -4.488 13.073 -8.664 166 HA PHE 25 HA PHE 25 -1.716 12.373 -8.895 167 HB2 PHE 25 1HB PHE 25 -4.255 10.888 -8.371 168 HB3 PHE 25 2HB PHE 25 -2.832 9.979 -8.869 169 HD1 PHE 25 HD1 PHE 25 -0.748 10.132 -7.485 170 HD2 PHE 25 HD2 PHE 25 -4.493 11.673 -6.172 171 HE1 PHE 25 HE1 PHE 25 0.075 10.149 -5.165 172 HE2 PHE 25 HE2 PHE 25 -3.675 11.695 -3.852 173 HZ PHE 25 HZ PHE 25 -1.389 10.932 -3.346 174 H LEU 26 H LEU 26 -1.197 10.367 -10.319 175 HA LEU 26 HA LEU 26 -2.216 10.916 -13.028 176 HB2 LEU 26 1HB LEU 26 0.501 10.065 -12.070 177 HB3 LEU 26 2HB LEU 26 0.006 9.918 -13.754 178 HG LEU 26 HG LEU 26 -0.488 12.475 -13.533 179 HD11 LEU 26 1HD1 LEU 26 0.147 13.497 -11.674 180 HD12 LEU 26 2HD1 LEU 26 1.776 12.835 -11.822 181 HD13 LEU 26 3HD1 LEU 26 0.529 11.924 -10.971 182 HD21 LEU 26 3HD2 LEU 26 1.380 12.777 -14.753 183 HD22 LEU 26 1HD2 LEU 26 1.490 11.019 -14.659 184 HD23 LEU 26 2HD2 LEU 26 2.420 12.020 -13.544 185 H CYS 27 H CYS 27 -1.713 8.541 -10.589 186 HA CYS 27 HA CYS 27 -1.901 6.245 -12.286 187 HB2 CYS 27 1HB CYS 27 -2.408 5.098 -10.029 188 HB3 CYS 27 2HB CYS 27 -0.820 5.826 -10.251 189 H CYS 28 H CYS 28 -4.158 7.739 -9.964 190 HA CYS 28 HA CYS 28 -6.368 6.498 -11.471 191 HB2 CYS 28 1HB CYS 28 -7.651 6.664 -9.296 192 HB3 CYS 28 2HB CYS 28 -6.330 5.501 -9.306 193 H GLN 29 H GLN 29 -5.007 9.141 -11.793 194 HA GLN 29 HA GLN 29 -5.495 11.401 -11.851 195 HB2 GLN 29 1HB GLN 29 -7.747 9.929 -13.173 196 HB3 GLN 29 2HB GLN 29 -7.768 11.686 -13.098 197 HG2 GLN 29 1HG GLN 29 -6.851 10.970 -15.201 198 HG3 GLN 29 2HG GLN 29 -5.594 11.743 -14.236 199 HE21 GLN 29 1HE2 GLN 29 -3.867 10.754 -15.165 200 HE22 GLN 29 2HE2 GLN 29 -3.554 9.059 -15.050 201 H GLN 30 H GLN 30 -6.023 10.470 -9.281 202 HA GLN 30 HA GLN 30 -8.640 11.496 -8.525 203 HB2 GLN 30 1HB GLN 30 -6.477 9.976 -7.126 204 HB3 GLN 30 2HB GLN 30 -7.647 10.874 -6.169 205 HG2 GLN 30 1HG GLN 30 -9.464 9.616 -7.123 206 HG3 GLN 30 2HG GLN 30 -8.357 8.786 -8.215 207 HE21 GLN 30 1HE2 GLN 30 -9.991 7.330 -6.622 208 HE22 GLN 30 2HE2 GLN 30 -9.078 6.550 -5.379 209 H SER 31 H SER 31 -8.995 13.475 -7.756 210 HA SER 31 HA SER 31 -6.706 15.247 -7.381 211 HB2 SER 31 1HB SER 31 -9.652 15.701 -7.802 212 HB3 SER 31 2HB SER 31 -8.607 17.000 -7.225 213 HG SER 31 HG SER 31 -7.937 17.244 -9.191 214 H CYS 32 H CYS 32 -6.625 13.596 -5.350 215 HA CYS 32 HA CYS 32 -7.469 15.244 -3.092 216 HB2 CYS 32 1HB CYS 32 -9.079 13.218 -3.666 217 HB3 CYS 32 2HB CYS 32 -7.845 12.295 -2.815 218 H LYS 33 H LYS 33 -5.533 15.755 -2.283 219 HA LYS 33 HA LYS 33 -3.131 14.521 -2.507 220 HB2 LYS 33 1HB LYS 33 -3.604 16.716 -1.370 221 HB3 LYS 33 2HB LYS 33 -4.073 15.806 0.060 222 HG2 LYS 33 1HG LYS 33 -1.820 14.841 0.171 223 HG3 LYS 33 2HG LYS 33 -1.356 15.794 -1.240 224 HD2 LYS 33 1HD LYS 33 -2.236 17.792 0.228 225 HD3 LYS 33 2HD LYS 33 -1.910 16.675 1.555 226 HE2 LYS 33 1HE LYS 33 0.397 16.377 0.548 227 HE3 LYS 33 2HE LYS 33 0.019 17.754 -0.486 228 HZ1 LYS 33 3HZ LYS 33 1.036 17.829 2.076 229 HZ2 LYS 33 1HZ LYS 33 -0.569 18.346 2.223 230 HZ3 LYS 33 2HZ LYS 33 0.481 19.141 1.162 231 H ALA 34 H ALA 34 -5.725 13.652 -0.306 232 HA ALA 34 HA ALA 34 -4.121 11.352 0.604 233 HB1 ALA 34 3HB ALA 34 -6.386 12.764 2.006 234 HB2 ALA 34 1HB ALA 34 -5.584 11.307 2.592 235 HB3 ALA 34 2HB ALA 34 -4.678 12.813 2.444 236 H ALA 35 H ALA 35 -5.427 11.232 -1.852 237 HA ALA 35 HA ALA 35 -8.020 10.141 -1.751 238 HB1 ALA 35 3HB ALA 35 -6.047 9.352 -3.856 239 HB2 ALA 35 1HB ALA 35 -7.775 9.669 -4.006 240 HB3 ALA 35 2HB ALA 35 -6.650 11.007 -3.770 241 HA PRO 36 HA PRO 36 -7.432 6.048 -0.271 242 HB2 PRO 36 1HB PRO 36 -9.404 4.747 -1.611 243 HB3 PRO 36 2HB PRO 36 -9.722 5.858 -0.273 244 HG2 PRO 36 1HG PRO 36 -9.891 6.345 -3.222 245 HG3 PRO 36 2HG PRO 36 -11.007 6.850 -1.939 246 HD2 PRO 36 1HD PRO 36 -9.180 8.528 -3.025 247 HD3 PRO 36 2HD PRO 36 -9.694 8.644 -1.330 248 H GLY 37 H GLY 37 -5.845 4.687 -0.794 249 HA2 GLY 37 1HA GLY 37 -4.436 4.409 -3.048 250 HA3 GLY 37 2HA GLY 37 -4.762 3.027 -2.013 251 H CYS 38 H CYS 38 -5.125 4.317 -5.089 252 HA CYS 38 HA CYS 38 -7.548 3.206 -5.951 253 HB2 CYS 38 1HB CYS 38 -6.446 3.271 -8.242 254 HB3 CYS 38 2HB CYS 38 -6.507 4.798 -7.368 255 H THR 39 H THR 39 -4.358 1.812 -5.565 256 HA THR 39 HA THR 39 -4.529 -0.489 -7.059 257 HB THR 39 HB THR 39 -3.048 -1.555 -5.351 258 HG1 THR 39 HG1 THR 39 -2.373 0.215 -3.725 259 HG21 THR 39 3HG2 THR 39 -2.057 1.233 -5.782 260 HG22 THR 39 1HG2 THR 39 -2.358 0.190 -7.171 261 HG23 THR 39 2HG2 THR 39 -1.196 -0.298 -5.936 262 H LEU 40 H LEU 40 -6.094 0.256 -4.018 263 HA LEU 40 HA LEU 40 -6.821 -2.067 -2.914 264 HB2 LEU 40 1HB LEU 40 -8.834 -1.080 -2.164 265 HB3 LEU 40 2HB LEU 40 -7.646 0.214 -2.298 266 HG LEU 40 HG LEU 40 -8.800 0.503 -4.677 267 HD11 LEU 40 1HD1 LEU 40 -11.169 -0.306 -3.041 268 HD12 LEU 40 2HD1 LEU 40 -10.314 -1.491 -4.028 269 HD13 LEU 40 3HD1 LEU 40 -11.038 -0.072 -4.785 270 HD21 LEU 40 3HD2 LEU 40 -9.384 2.462 -3.795 271 HD22 LEU 40 1HD2 LEU 40 -8.819 1.837 -2.245 272 HD23 LEU 40 2HD2 LEU 40 -10.523 1.701 -2.682 273 H TRP 41 H TRP 41 -8.406 -3.665 -3.177 274 HA TRP 41 HA TRP 41 -9.148 -4.126 -5.968 275 HB2 TRP 41 1HB TRP 41 -9.418 -6.427 -5.390 276 HB3 TRP 41 2HB TRP 41 -7.931 -5.881 -4.619 277 HD1 TRP 41 HD1 TRP 41 -11.637 -6.522 -3.681 278 HE1 TRP 41 HE1 TRP 41 -11.716 -7.251 -1.213 279 HE3 TRP 41 HE3 TRP 41 -6.688 -5.986 -2.520 280 HZ2 TRP 41 HZ2 TRP 41 -9.916 -7.557 0.941 281 HZ3 TRP 41 HZ3 TRP 41 -5.949 -6.516 -0.234 282 HH2 TRP 41 HH2 TRP 41 -7.530 -7.285 1.459 283 H GLU 42 H GLU 42 -11.303 -5.206 -6.336 284 HA GLU 42 HA GLU 42 -13.378 -4.355 -4.463 285 HB2 GLU 42 1HB GLU 42 -13.340 -3.577 -7.385 286 HB3 GLU 42 2HB GLU 42 -14.703 -3.346 -6.299 287 HG2 GLU 42 1HG GLU 42 -13.232 -1.914 -4.882 288 HG3 GLU 42 2HG GLU 42 -12.002 -2.034 -6.139 289 H ALA 43 H ALA 43 -14.923 -5.844 -4.248 290 HA ALA 43 HA ALA 43 -14.881 -8.148 -6.047 291 HB1 ALA 43 3HB ALA 43 -14.887 -8.136 -3.396 292 HB2 ALA 43 1HB ALA 43 -16.632 -8.091 -3.652 293 HB3 ALA 43 2HB ALA 43 -15.675 -9.410 -4.327 294 H TYR 44 H TYR 44 -16.632 -8.839 -7.218 295 HA TYR 44 HA TYR 44 -18.720 -6.848 -7.650 296 HB2 TYR 44 1HB TYR 44 -19.246 -8.128 -9.673 297 HB3 TYR 44 2HB TYR 44 -17.534 -7.725 -9.612 298 HD1 TYR 44 HD2 TYR 44 -15.890 -9.508 -8.930 299 HD2 TYR 44 HD1 TYR 44 -19.966 -10.373 -9.789 300 HE1 TYR 44 HE2 TYR 44 -15.318 -11.881 -9.227 301 HE2 TYR 44 HE1 TYR 44 -19.406 -12.750 -10.087 302 HH TYR 44 HH TYR 44 -16.071 -13.871 -10.026 303 H SER 45 H SER 45 -20.917 -7.290 -7.510 304 HA SER 45 HA SER 45 -21.596 -9.697 -5.953 305 HB2 SER 45 1HB SER 45 -22.799 -6.927 -5.947 306 HB3 SER 45 2HB SER 45 -23.603 -8.314 -5.211 307 HG SER 45 HG SER 45 -22.144 -8.355 -3.650 308 H GLY 46 H GLY 46 -22.362 -11.172 -7.344 309 HA2 GLY 46 1HA GLY 46 -24.729 -11.511 -8.347 310 HA3 GLY 46 2HA GLY 46 -24.175 -10.288 -9.483 311 HA PRO 47 HA PRO 47 -22.816 -14.749 -10.600 312 HB2 PRO 47 1HB PRO 47 -24.801 -15.422 -12.326 313 HB3 PRO 47 2HB PRO 47 -24.863 -15.794 -10.598 314 HG2 PRO 47 1HG PRO 47 -26.157 -13.552 -12.100 315 HG3 PRO 47 2HG PRO 47 -26.832 -14.578 -10.821 316 HD2 PRO 47 1HD PRO 47 -25.912 -12.075 -10.348 317 HD3 PRO 47 2HD PRO 47 -25.809 -13.374 -9.142 318 H SER 48 H SER 48 -21.594 -15.075 -12.403 319 HA SER 48 HA SER 48 -21.618 -12.932 -14.401 320 HB2 SER 48 1HB SER 48 -19.511 -13.667 -13.074 321 HB3 SER 48 2HB SER 48 -19.484 -15.040 -14.181 322 HG SER 48 HG SER 48 -18.834 -13.773 -15.734 323 H SER 49 H SER 49 -23.680 -14.773 -14.629 324 HA SER 49 HA SER 49 -23.163 -16.955 -16.315 325 HB2 SER 49 1HB SER 49 -25.674 -15.285 -16.044 326 HB3 SER 49 2HB SER 49 -25.584 -16.847 -16.860 327 HG SER 49 HG SER 49 -25.557 -16.247 -14.153 328 H GLY 50 H GLY 50 -24.256 -13.656 -17.105 329 HA2 GLY 50 1HA GLY 50 -23.006 -12.679 -19.062 330 HA3 GLY 50 2HA GLY 50 -23.427 -14.168 -19.894 Start of MODEL 5 1 H1 GLY 1 H GLY 1 1.642 22.178 17.947 2 HA2 GLY 1 1HA GLY 1 0.530 20.006 17.855 3 HA3 GLY 1 2HA GLY 1 1.860 19.443 16.855 4 H SER 2 H SER 2 1.128 17.989 19.037 5 HA SER 2 HA SER 2 3.329 18.509 20.928 6 HB2 SER 2 1HB SER 2 0.497 17.685 21.411 7 HB3 SER 2 2HB SER 2 1.748 17.070 22.492 8 HG SER 2 HG SER 2 1.201 19.797 21.917 9 H SER 3 H SER 3 3.859 16.403 22.186 10 HA SER 3 HA SER 3 5.116 14.616 20.578 11 HB2 SER 3 1HB SER 3 3.910 14.229 23.315 12 HB3 SER 3 2HB SER 3 4.838 12.956 22.522 13 HG SER 3 HG SER 3 6.472 13.966 23.385 14 H GLY 4 H GLY 4 4.441 13.295 19.033 15 HA2 GLY 4 1HA GLY 4 1.683 12.275 19.154 16 HA3 GLY 4 2HA GLY 4 2.650 12.423 17.694 17 H SER 5 H SER 5 1.249 10.179 19.393 18 HA SER 5 HA SER 5 3.507 8.290 19.265 19 HB2 SER 5 1HB SER 5 2.779 8.372 21.523 20 HB3 SER 5 2HB SER 5 1.079 8.349 21.057 21 HG SER 5 HG SER 5 2.668 6.198 20.268 22 H SER 6 H SER 6 3.354 7.424 17.269 23 HA SER 6 HA SER 6 0.876 6.852 15.982 24 HB2 SER 6 1HB SER 6 2.326 5.662 14.314 25 HB3 SER 6 2HB SER 6 2.808 7.329 14.621 26 HG SER 6 HG SER 6 4.680 6.309 14.834 27 H GLY 7 H GLY 7 3.424 4.741 17.323 28 HA2 GLY 7 1HA GLY 7 2.878 2.865 18.723 29 HA3 GLY 7 2HA GLY 7 1.332 2.749 17.894 30 H ASN 8 H ASN 8 1.164 1.098 16.547 31 HA ASN 8 HA ASN 8 3.438 -0.456 15.797 32 HB2 ASN 8 1HB ASN 8 1.681 -1.685 14.380 33 HB3 ASN 8 2HB ASN 8 1.464 -1.695 16.128 34 HD21 ASN 8 1HD2 ASN 8 -0.739 -2.075 15.929 35 HD22 ASN 8 2HD2 ASN 8 -1.841 -0.845 15.423 36 HA PRO 9 HA PRO 9 4.550 1.528 12.028 37 HB2 PRO 9 1HB PRO 9 5.762 -0.557 10.781 38 HB3 PRO 9 2HB PRO 9 6.495 0.311 12.136 39 HG2 PRO 9 1HG PRO 9 5.020 -2.294 12.129 40 HG3 PRO 9 2HG PRO 9 6.511 -1.854 12.984 41 HD2 PRO 9 1HD PRO 9 4.094 -1.914 14.205 42 HD3 PRO 9 2HD PRO 9 5.372 -0.774 14.672 43 H HIS 10 H HIS 10 3.588 1.925 10.118 44 HA HIS 10 HA HIS 10 1.288 0.407 9.352 45 HB2 HIS 10 1HB HIS 10 2.668 2.849 8.309 46 HB3 HIS 10 2HB HIS 10 1.475 2.038 7.299 47 HD2 HIS 10 HD2 HIS 10 -0.368 1.441 10.221 48 HE1 HIS 10 HE1 HIS 10 -0.951 5.619 9.773 49 HE2 HIS 10 HE2 HIS 10 -1.711 3.527 10.953 50 H LEU 11 H LEU 11 1.342 -1.418 8.233 51 HA LEU 11 HA LEU 11 3.475 -1.777 6.231 52 HB2 LEU 11 1HB LEU 11 3.839 -3.289 8.055 53 HB3 LEU 11 2HB LEU 11 2.156 -3.812 8.018 54 HG LEU 11 HG LEU 11 2.837 -4.562 5.564 55 HD11 LEU 11 1HD1 LEU 11 5.388 -5.305 6.829 56 HD12 LEU 11 2HD1 LEU 11 5.241 -3.619 6.336 57 HD13 LEU 11 3HD1 LEU 11 5.021 -4.905 5.150 58 HD21 LEU 11 3HD2 LEU 11 3.865 -6.418 7.608 59 HD22 LEU 11 1HD2 LEU 11 2.635 -6.658 6.367 60 HD23 LEU 11 2HD2 LEU 11 2.224 -5.826 7.867 61 H LEU 12 H LEU 12 0.133 -2.603 7.091 62 HA LEU 12 HA LEU 12 -0.415 -3.298 4.303 63 HB2 LEU 12 1HB LEU 12 -1.288 -4.918 5.739 64 HB3 LEU 12 2HB LEU 12 -1.873 -3.715 6.887 65 HG LEU 12 HG LEU 12 -3.570 -3.048 5.141 66 HD11 LEU 12 1HD1 LEU 12 -2.267 -4.171 3.278 67 HD12 LEU 12 2HD1 LEU 12 -4.009 -4.448 3.303 68 HD13 LEU 12 3HD1 LEU 12 -2.909 -5.697 3.887 69 HD21 LEU 12 3HD2 LEU 12 -3.540 -5.181 6.990 70 HD22 LEU 12 1HD2 LEU 12 -4.402 -5.745 5.558 71 HD23 LEU 12 2HD2 LEU 12 -4.932 -4.280 6.385 72 H VAL 13 H VAL 13 -0.550 -1.366 3.236 73 HA VAL 13 HA VAL 13 -2.961 0.167 3.680 74 HB VAL 13 HB VAL 13 -1.352 1.293 5.173 75 HG11 VAL 13 1HG1 VAL 13 0.195 2.055 2.712 76 HG12 VAL 13 2HG1 VAL 13 0.628 2.313 4.403 77 HG13 VAL 13 3HG1 VAL 13 0.643 0.684 3.727 78 HG21 VAL 13 3HG2 VAL 13 -2.581 2.612 2.824 79 HG22 VAL 13 1HG2 VAL 13 -2.880 2.850 4.546 80 HG23 VAL 13 2HG2 VAL 13 -1.461 3.574 3.789 81 H LYS 14 H LYS 14 -3.813 0.672 1.772 82 HA LYS 14 HA LYS 14 -2.874 -0.087 -0.665 83 HB2 LYS 14 1HB LYS 14 -4.787 2.019 0.212 84 HB3 LYS 14 2HB LYS 14 -4.283 2.027 -1.472 85 HG2 LYS 14 1HG LYS 14 -5.301 0.019 -1.931 86 HG3 LYS 14 2HG LYS 14 -5.244 -0.515 -0.250 87 HD2 LYS 14 1HD LYS 14 -6.885 1.876 -0.939 88 HD3 LYS 14 2HD LYS 14 -7.502 0.275 -1.354 89 HE2 LYS 14 1HE LYS 14 -6.926 -0.317 1.097 90 HE3 LYS 14 2HE LYS 14 -6.889 1.428 1.343 91 HZ1 LYS 14 3HZ LYS 14 -9.201 1.127 0.036 92 HZ2 LYS 14 1HZ LYS 14 -9.066 1.148 1.722 93 HZ3 LYS 14 2HZ LYS 14 -9.147 -0.328 0.898 94 H TYR 15 H TYR 15 -1.708 0.820 -2.345 95 HA TYR 15 HA TYR 15 -0.123 3.203 -1.641 96 HB2 TYR 15 1HB TYR 15 1.746 2.273 -2.851 97 HB3 TYR 15 2HB TYR 15 1.182 1.075 -1.691 98 HD1 TYR 15 HD1 TYR 15 1.374 1.954 -5.254 99 HD2 TYR 15 HD2 TYR 15 0.200 -1.000 -2.425 100 HE1 TYR 15 HE1 TYR 15 1.161 0.309 -7.069 101 HE2 TYR 15 HE2 TYR 15 -0.015 -2.654 -4.233 102 HH TYR 15 HH TYR 15 0.311 -1.738 -7.609 103 H HIS 16 H HIS 16 0.899 4.175 -3.722 104 HA HIS 16 HA HIS 16 -1.202 4.326 -5.785 105 HB2 HIS 16 1HB HIS 16 0.401 6.459 -4.439 106 HB3 HIS 16 2HB HIS 16 -0.094 6.702 -6.112 107 HD2 HIS 16 HD2 HIS 16 -1.398 7.559 -2.768 108 HE1 HIS 16 HE1 HIS 16 -4.871 6.997 -5.140 109 HE2 HIS 16 HE2 HIS 16 -3.940 7.976 -3.014 110 H SER 17 H SER 17 -0.591 3.628 -7.712 111 HA SER 17 HA SER 17 2.202 3.137 -8.275 112 HB2 SER 17 1HB SER 17 0.105 1.685 -8.919 113 HB3 SER 17 2HB SER 17 0.038 2.762 -10.314 114 HG SER 17 HG SER 17 2.293 2.181 -10.654 115 H GLY 18 H GLY 18 1.774 5.845 -7.970 116 HA2 GLY 18 1HA GLY 18 2.840 6.852 -10.408 117 HA3 GLY 18 2HA GLY 18 1.166 7.348 -10.212 118 H PHE 19 H PHE 19 2.025 9.529 -10.188 119 HA PHE 19 HA PHE 19 2.917 10.283 -7.492 120 HB2 PHE 19 1HB PHE 19 4.012 11.279 -10.124 121 HB3 PHE 19 2HB PHE 19 4.267 12.123 -8.599 122 HD1 PHE 19 HD2 PHE 19 5.306 10.710 -6.681 123 HD2 PHE 19 HD1 PHE 19 5.516 9.671 -10.803 124 HE1 PHE 19 HE2 PHE 19 7.257 9.284 -6.217 125 HE2 PHE 19 HE1 PHE 19 7.467 8.243 -10.346 126 HZ PHE 19 HZ PHE 19 8.340 8.048 -8.052 127 H PHE 20 H PHE 20 2.606 12.700 -7.128 128 HA PHE 20 HA PHE 20 -0.037 13.433 -8.174 129 HB2 PHE 20 1HB PHE 20 0.129 13.218 -5.733 130 HB3 PHE 20 2HB PHE 20 1.418 14.417 -5.709 131 HD1 PHE 20 HD1 PHE 20 -2.173 13.864 -6.115 132 HD2 PHE 20 HD2 PHE 20 0.943 16.763 -6.010 133 HE1 PHE 20 HE1 PHE 20 -3.848 15.652 -5.886 134 HE2 PHE 20 HE2 PHE 20 -0.727 18.554 -5.781 135 HZ PHE 20 HZ PHE 20 -3.126 18.000 -5.718 136 H VAL 21 H VAL 21 0.230 14.631 -9.966 137 HA VAL 21 HA VAL 21 1.947 17.015 -9.750 138 HB VAL 21 HB VAL 21 1.512 15.360 -12.240 139 HG11 VAL 21 1HG1 VAL 21 1.945 17.302 -13.267 140 HG12 VAL 21 2HG1 VAL 21 2.520 18.066 -11.783 141 HG13 VAL 21 3HG1 VAL 21 3.606 17.048 -12.730 142 HG21 VAL 21 3HG2 VAL 21 3.954 15.703 -10.501 143 HG22 VAL 21 1HG2 VAL 21 2.996 14.235 -10.690 144 HG23 VAL 21 2HG2 VAL 21 3.921 14.866 -12.053 145 H ASP 22 H ASP 22 1.167 18.910 -10.645 146 HA ASP 22 HA ASP 22 -0.380 20.437 -11.312 147 HB2 ASP 22 1HB ASP 22 -1.135 18.019 -12.895 148 HB3 ASP 22 2HB ASP 22 -2.237 19.394 -12.884 149 H GLY 23 H GLY 23 -0.741 19.409 -8.789 150 HA2 GLY 23 1HA GLY 23 -2.289 19.212 -7.106 151 HA3 GLY 23 2HA GLY 23 -3.325 20.186 -8.140 152 H LYS 24 H LYS 24 -2.084 16.935 -8.770 153 HA LYS 24 HA LYS 24 -4.413 15.538 -8.013 154 HB2 LYS 24 1HB LYS 24 -5.209 16.906 -10.031 155 HB3 LYS 24 2HB LYS 24 -4.188 15.852 -11.000 156 HG2 LYS 24 1HG LYS 24 -5.516 14.009 -10.643 157 HG3 LYS 24 2HG LYS 24 -6.187 14.651 -9.143 158 HD2 LYS 24 1HD LYS 24 -7.970 14.909 -10.578 159 HD3 LYS 24 2HD LYS 24 -7.184 16.484 -10.723 160 HE2 LYS 24 1HE LYS 24 -6.389 14.287 -12.576 161 HE3 LYS 24 2HE LYS 24 -7.912 15.131 -12.855 162 HZ1 LYS 24 3HZ LYS 24 -5.193 16.310 -12.773 163 HZ2 LYS 24 1HZ LYS 24 -6.608 17.238 -12.786 164 HZ3 LYS 24 2HZ LYS 24 -6.243 16.234 -14.098 165 H PHE 25 H PHE 25 -4.378 13.270 -8.739 166 HA PHE 25 HA PHE 25 -1.668 12.298 -8.808 167 HB2 PHE 25 1HB PHE 25 -4.358 10.941 -8.680 168 HB3 PHE 25 2HB PHE 25 -2.856 10.033 -8.822 169 HD1 PHE 25 HD1 PHE 25 -1.119 10.280 -7.021 170 HD2 PHE 25 HD2 PHE 25 -5.090 11.755 -6.611 171 HE1 PHE 25 HE1 PHE 25 -0.828 10.374 -4.579 172 HE2 PHE 25 HE2 PHE 25 -4.806 11.851 -4.169 173 HZ PHE 25 HZ PHE 25 -2.672 11.161 -3.150 174 H LEU 26 H LEU 26 -1.249 10.333 -10.305 175 HA LEU 26 HA LEU 26 -2.191 10.988 -13.020 176 HB2 LEU 26 1HB LEU 26 0.552 9.951 -12.345 177 HB3 LEU 26 2HB LEU 26 -0.023 10.544 -13.901 178 HG LEU 26 HG LEU 26 0.390 12.232 -11.433 179 HD11 LEU 26 1HD1 LEU 26 2.042 11.960 -13.939 180 HD12 LEU 26 2HD1 LEU 26 2.507 11.457 -12.315 181 HD13 LEU 26 3HD1 LEU 26 2.289 13.168 -12.680 182 HD21 LEU 26 3HD2 LEU 26 0.106 14.106 -13.037 183 HD22 LEU 26 1HD2 LEU 26 -1.356 13.146 -12.807 184 HD23 LEU 26 2HD2 LEU 26 -0.382 12.934 -14.262 185 H CYS 27 H CYS 27 -1.592 8.591 -10.635 186 HA CYS 27 HA CYS 27 -1.744 6.360 -12.473 187 HB2 CYS 27 1HB CYS 27 -1.776 5.013 -10.325 188 HB3 CYS 27 2HB CYS 27 -0.343 6.003 -10.585 189 H CYS 28 H CYS 28 -3.837 8.050 -10.214 190 HA CYS 28 HA CYS 28 -6.092 6.422 -11.188 191 HB2 CYS 28 1HB CYS 28 -7.129 7.055 -8.892 192 HB3 CYS 28 2HB CYS 28 -5.943 5.755 -8.959 193 H GLN 29 H GLN 29 -4.776 9.539 -10.587 194 HA GLN 29 HA GLN 29 -5.478 11.640 -11.107 195 HB2 GLN 29 1HB GLN 29 -7.636 10.217 -12.675 196 HB3 GLN 29 2HB GLN 29 -7.172 11.904 -12.849 197 HG2 GLN 29 1HG GLN 29 -5.141 9.754 -13.239 198 HG3 GLN 29 2HG GLN 29 -6.288 10.134 -14.522 199 HE21 GLN 29 1HE2 GLN 29 -3.542 10.440 -14.805 200 HE22 GLN 29 2HE2 GLN 29 -3.181 12.121 -14.964 201 H GLN 30 H GLN 30 -6.335 10.552 -8.675 202 HA GLN 30 HA GLN 30 -9.129 11.053 -8.285 203 HB2 GLN 30 1HB GLN 30 -6.920 10.753 -6.243 204 HB3 GLN 30 2HB GLN 30 -8.645 10.703 -5.908 205 HG2 GLN 30 1HG GLN 30 -7.520 8.789 -7.884 206 HG3 GLN 30 2HG GLN 30 -7.242 8.506 -6.167 207 HE21 GLN 30 1HE2 GLN 30 -8.517 6.755 -5.893 208 HE22 GLN 30 2HE2 GLN 30 -10.230 6.759 -6.104 209 H SER 31 H SER 31 -10.116 12.798 -7.318 210 HA SER 31 HA SER 31 -8.891 15.329 -7.702 211 HB2 SER 31 1HB SER 31 -10.958 16.245 -6.727 212 HB3 SER 31 2HB SER 31 -11.315 15.008 -7.930 213 HG SER 31 HG SER 31 -11.399 13.541 -6.031 214 H CYS 32 H CYS 32 -9.906 13.611 -4.749 215 HA CYS 32 HA CYS 32 -8.930 15.481 -2.915 216 HB2 CYS 32 1HB CYS 32 -9.333 12.497 -2.668 217 HB3 CYS 32 2HB CYS 32 -8.912 13.535 -1.309 218 H LYS 33 H LYS 33 -7.050 15.441 -1.583 219 HA LYS 33 HA LYS 33 -4.681 14.597 -3.042 220 HB2 LYS 33 1HB LYS 33 -4.960 16.888 -1.973 221 HB3 LYS 33 2HB LYS 33 -4.777 16.086 -0.419 222 HG2 LYS 33 1HG LYS 33 -2.554 15.501 -0.852 223 HG3 LYS 33 2HG LYS 33 -2.720 15.807 -2.583 224 HD2 LYS 33 1HD LYS 33 -3.172 18.055 -0.679 225 HD3 LYS 33 2HD LYS 33 -1.516 17.536 -1.000 226 HE2 LYS 33 1HE LYS 33 -2.281 17.682 -3.500 227 HE3 LYS 33 2HE LYS 33 -3.524 18.748 -2.847 228 HZ1 LYS 33 3HZ LYS 33 -2.025 20.347 -2.353 229 HZ2 LYS 33 1HZ LYS 33 -1.162 19.624 -3.616 230 HZ3 LYS 33 2HZ LYS 33 -0.778 19.256 -2.011 231 H ALA 34 H ALA 34 -5.822 14.331 0.331 232 HA ALA 34 HA ALA 34 -3.977 12.178 0.865 233 HB1 ALA 34 3HB ALA 34 -5.139 12.161 3.106 234 HB2 ALA 34 1HB ALA 34 -4.341 13.669 2.663 235 HB3 ALA 34 2HB ALA 34 -6.093 13.525 2.524 236 H ALA 35 H ALA 35 -5.675 11.497 -1.228 237 HA ALA 35 HA ALA 35 -7.861 9.897 -0.266 238 HB1 ALA 35 3HB ALA 35 -6.635 9.731 -3.005 239 HB2 ALA 35 1HB ALA 35 -8.293 9.376 -2.518 240 HB3 ALA 35 2HB ALA 35 -7.714 11.042 -2.531 241 HA PRO 36 HA PRO 36 -5.772 6.120 0.546 242 HB2 PRO 36 1HB PRO 36 -7.695 4.325 -0.127 243 HB3 PRO 36 2HB PRO 36 -7.781 5.326 1.328 244 HG2 PRO 36 1HG PRO 36 -9.117 5.718 -1.322 245 HG3 PRO 36 2HG PRO 36 -9.785 5.920 0.308 246 HD2 PRO 36 1HD PRO 36 -8.961 8.013 -1.200 247 HD3 PRO 36 2HD PRO 36 -8.840 8.006 0.572 248 H GLY 37 H GLY 37 -4.254 5.059 -0.562 249 HA2 GLY 37 1HA GLY 37 -3.626 5.188 -3.158 250 HA3 GLY 37 2HA GLY 37 -3.339 3.722 -2.231 251 H CYS 38 H CYS 38 -4.459 4.666 -5.064 252 HA CYS 38 HA CYS 38 -6.990 3.476 -5.335 253 HB2 CYS 38 1HB CYS 38 -6.413 3.392 -7.783 254 HB3 CYS 38 2HB CYS 38 -6.229 4.976 -7.037 255 H THR 39 H THR 39 -3.731 2.187 -5.889 256 HA THR 39 HA THR 39 -4.630 -0.390 -6.708 257 HB THR 39 HB THR 39 -2.283 -1.089 -6.439 258 HG1 THR 39 HG1 THR 39 -1.711 1.564 -5.607 259 HG21 THR 39 3HG2 THR 39 -1.815 1.506 -7.689 260 HG22 THR 39 1HG2 THR 39 -3.289 0.721 -8.254 261 HG23 THR 39 2HG2 THR 39 -1.741 -0.114 -8.384 262 H LEU 40 H LEU 40 -5.435 -1.947 -5.475 263 HA LEU 40 HA LEU 40 -4.823 -1.922 -2.594 264 HB2 LEU 40 1HB LEU 40 -7.217 -1.607 -3.385 265 HB3 LEU 40 2HB LEU 40 -7.160 -3.292 -3.897 266 HG LEU 40 HG LEU 40 -6.543 -2.557 -1.061 267 HD11 LEU 40 1HD1 LEU 40 -9.163 -2.437 -2.420 268 HD12 LEU 40 2HD1 LEU 40 -8.585 -1.590 -0.985 269 HD13 LEU 40 3HD1 LEU 40 -9.112 -3.269 -0.865 270 HD21 LEU 40 3HD2 LEU 40 -8.074 -4.934 -1.461 271 HD22 LEU 40 1HD2 LEU 40 -6.439 -4.759 -0.823 272 HD23 LEU 40 2HD2 LEU 40 -6.693 -4.940 -2.559 273 H TRP 41 H TRP 41 -4.473 -3.926 -1.528 274 HA TRP 41 HA TRP 41 -2.646 -5.622 -2.497 275 HB2 TRP 41 1HB TRP 41 -3.959 -5.576 -0.196 276 HB3 TRP 41 2HB TRP 41 -4.840 -6.912 -0.934 277 HD1 TRP 41 HD1 TRP 41 -1.898 -6.281 1.136 278 HE1 TRP 41 HE1 TRP 41 -0.332 -8.324 1.175 279 HE3 TRP 41 HE3 TRP 41 -3.871 -8.892 -2.791 280 HZ2 TRP 41 HZ2 TRP 41 0.020 -10.724 -0.268 281 HZ3 TRP 41 HZ3 TRP 41 -2.861 -11.053 -3.398 282 HH2 TRP 41 HH2 TRP 41 -0.956 -11.947 -2.161 283 H GLU 42 H GLU 42 -6.038 -6.719 -2.417 284 HA GLU 42 HA GLU 42 -5.966 -8.913 -3.935 285 HB2 GLU 42 1HB GLU 42 -8.009 -6.707 -4.262 286 HB3 GLU 42 2HB GLU 42 -8.224 -8.376 -4.775 287 HG2 GLU 42 1HG GLU 42 -7.904 -7.381 -1.954 288 HG3 GLU 42 2HG GLU 42 -9.369 -8.021 -2.697 289 H ALA 43 H ALA 43 -5.458 -9.522 -5.945 290 HA ALA 43 HA ALA 43 -4.367 -7.576 -7.766 291 HB1 ALA 43 3HB ALA 43 -4.296 -9.856 -9.185 292 HB2 ALA 43 1HB ALA 43 -3.089 -9.426 -7.973 293 HB3 ALA 43 2HB ALA 43 -4.410 -10.518 -7.555 294 H TYR 44 H TYR 44 -4.945 -8.203 -10.234 295 HA TYR 44 HA TYR 44 -7.804 -8.538 -10.608 296 HB2 TYR 44 1HB TYR 44 -7.151 -6.031 -10.165 297 HB3 TYR 44 2HB TYR 44 -6.599 -6.086 -11.835 298 HD1 TYR 44 HD1 TYR 44 -9.595 -6.959 -9.778 299 HD2 TYR 44 HD2 TYR 44 -8.104 -5.557 -13.509 300 HE1 TYR 44 HE1 TYR 44 -11.899 -6.566 -10.544 301 HE2 TYR 44 HE2 TYR 44 -10.404 -5.160 -14.285 302 HH TYR 44 HH TYR 44 -12.601 -5.637 -13.853 303 H SER 45 H SER 45 -8.363 -8.458 -12.987 304 HA SER 45 HA SER 45 -6.777 -10.277 -14.398 305 HB2 SER 45 1HB SER 45 -8.995 -8.425 -15.252 306 HB3 SER 45 2HB SER 45 -8.195 -9.501 -16.398 307 HG SER 45 HG SER 45 -9.969 -10.079 -14.359 308 H GLY 46 H GLY 46 -7.235 -6.788 -15.006 309 HA2 GLY 46 1HA GLY 46 -4.630 -6.064 -15.407 310 HA3 GLY 46 2HA GLY 46 -5.130 -6.720 -16.958 311 HA PRO 47 HA PRO 47 -7.737 -2.720 -16.005 312 HB2 PRO 47 1HB PRO 47 -6.539 -1.002 -14.278 313 HB3 PRO 47 2HB PRO 47 -7.687 -2.242 -13.758 314 HG2 PRO 47 1HG PRO 47 -4.695 -2.280 -13.683 315 HG3 PRO 47 2HG PRO 47 -5.853 -2.815 -12.451 316 HD2 PRO 47 1HD PRO 47 -4.591 -4.542 -14.112 317 HD3 PRO 47 2HD PRO 47 -6.235 -4.830 -13.502 318 H SER 48 H SER 48 -7.469 -1.530 -17.776 319 HA SER 48 HA SER 48 -5.257 -1.119 -19.260 320 HB2 SER 48 1HB SER 48 -7.324 -0.397 -20.166 321 HB3 SER 48 2HB SER 48 -7.612 0.715 -18.829 322 HG SER 48 HG SER 48 -6.884 1.758 -20.764 323 H SER 49 H SER 49 -3.426 0.034 -19.191 324 HA SER 49 HA SER 49 -3.077 1.892 -16.933 325 HB2 SER 49 1HB SER 49 -1.631 -0.236 -17.137 326 HB3 SER 49 2HB SER 49 -0.819 0.606 -18.456 327 HG SER 49 HG SER 49 -0.544 0.936 -15.788 328 H GLY 50 H GLY 50 -1.710 3.769 -17.283 329 HA2 GLY 50 1HA GLY 50 -1.367 4.588 -20.073 330 HA3 GLY 50 2HA GLY 50 -2.405 5.578 -19.057 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -2.789 5.234 24.669 2 HA2 GLY 1 1HA GLY 1 -3.464 2.976 24.877 3 HA3 GLY 1 2HA GLY 1 -3.557 2.868 23.125 4 H SER 2 H SER 2 -2.230 1.093 25.043 5 HA SER 2 HA SER 2 0.603 1.502 24.476 6 HB2 SER 2 1HB SER 2 -0.860 -0.490 26.215 7 HB3 SER 2 2HB SER 2 0.883 -0.532 25.951 8 HG SER 2 HG SER 2 -0.261 1.883 26.761 9 H SER 3 H SER 3 1.273 0.825 22.548 10 HA SER 3 HA SER 3 0.554 -1.888 21.701 11 HB2 SER 3 1HB SER 3 0.309 -1.095 19.356 12 HB3 SER 3 2HB SER 3 -0.920 -0.428 20.431 13 HG SER 3 HG SER 3 0.990 0.851 18.982 14 H GLY 4 H GLY 4 2.134 -2.974 20.529 15 HA2 GLY 4 1HA GLY 4 4.724 -1.567 20.315 16 HA3 GLY 4 2HA GLY 4 4.594 -3.221 20.895 17 H SER 5 H SER 5 4.122 -1.145 18.078 18 HA SER 5 HA SER 5 4.644 -3.491 16.379 19 HB2 SER 5 1HB SER 5 3.055 -2.720 14.746 20 HB3 SER 5 2HB SER 5 2.237 -2.764 16.307 21 HG SER 5 HG SER 5 2.929 -0.435 16.393 22 H SER 6 H SER 6 5.848 -3.126 14.499 23 HA SER 6 HA SER 6 6.811 -0.479 13.871 24 HB2 SER 6 1HB SER 6 9.226 -1.158 14.135 25 HB3 SER 6 2HB SER 6 8.350 -0.950 15.652 26 HG SER 6 HG SER 6 8.966 -2.907 16.069 27 H GLY 7 H GLY 7 7.676 -0.329 11.814 28 HA2 GLY 7 1HA GLY 7 8.411 -1.069 9.732 29 HA3 GLY 7 2HA GLY 7 8.288 -2.726 10.305 30 H ASN 8 H ASN 8 6.612 -0.069 8.806 31 HA ASN 8 HA ASN 8 4.299 -1.819 8.311 32 HB2 ASN 8 1HB ASN 8 4.551 1.190 8.341 33 HB3 ASN 8 2HB ASN 8 3.137 0.358 7.700 34 HD21 ASN 8 1HD2 ASN 8 1.663 0.987 9.176 35 HD22 ASN 8 2HD2 ASN 8 1.736 0.583 10.855 36 HA PRO 9 HA PRO 9 6.504 -1.603 4.263 37 HB2 PRO 9 1HB PRO 9 5.964 -4.177 3.589 38 HB3 PRO 9 2HB PRO 9 7.351 -3.715 4.583 39 HG2 PRO 9 1HG PRO 9 4.691 -4.796 5.428 40 HG3 PRO 9 2HG PRO 9 6.309 -5.221 6.015 41 HD2 PRO 9 1HD PRO 9 4.663 -3.548 7.365 42 HD3 PRO 9 2HD PRO 9 6.430 -3.379 7.396 43 H HIS 10 H HIS 10 3.377 -1.747 5.326 44 HA HIS 10 HA HIS 10 1.308 -1.727 4.342 45 HB2 HIS 10 1HB HIS 10 1.113 -0.159 2.487 46 HB3 HIS 10 2HB HIS 10 2.237 0.467 3.690 47 HD2 HIS 10 HD2 HIS 10 2.255 -0.834 0.012 48 HE1 HIS 10 HE1 HIS 10 6.088 0.753 0.903 49 HE2 HIS 10 HE2 HIS 10 4.553 -0.085 -0.909 50 H LEU 11 H LEU 11 2.594 -4.145 3.880 51 HA LEU 11 HA LEU 11 2.759 -4.966 1.219 52 HB2 LEU 11 1HB LEU 11 2.707 -7.187 2.023 53 HB3 LEU 11 2HB LEU 11 3.533 -6.222 3.245 54 HG LEU 11 HG LEU 11 0.617 -6.742 3.573 55 HD11 LEU 11 1HD1 LEU 11 0.795 -8.916 4.152 56 HD12 LEU 11 2HD1 LEU 11 2.452 -8.744 4.730 57 HD13 LEU 11 3HD1 LEU 11 2.131 -8.877 3.002 58 HD21 LEU 11 3HD2 LEU 11 2.213 -7.091 5.903 59 HD22 LEU 11 1HD2 LEU 11 1.038 -5.825 5.547 60 HD23 LEU 11 2HD2 LEU 11 2.727 -5.614 5.086 61 H LEU 12 H LEU 12 0.005 -4.449 3.272 62 HA LEU 12 HA LEU 12 -1.769 -5.578 1.214 63 HB2 LEU 12 1HB LEU 12 -2.263 -6.597 3.259 64 HB3 LEU 12 2HB LEU 12 -2.099 -5.088 4.153 65 HG LEU 12 HG LEU 12 -4.200 -4.290 3.108 66 HD11 LEU 12 1HD1 LEU 12 -4.892 -7.038 2.258 67 HD12 LEU 12 2HD1 LEU 12 -3.819 -6.117 1.204 68 HD13 LEU 12 3HD1 LEU 12 -5.412 -5.482 1.612 69 HD21 LEU 12 3HD2 LEU 12 -4.084 -5.474 5.326 70 HD22 LEU 12 1HD2 LEU 12 -4.585 -6.940 4.484 71 HD23 LEU 12 2HD2 LEU 12 -5.650 -5.535 4.515 72 H VAL 13 H VAL 13 -1.690 -2.849 3.515 73 HA VAL 13 HA VAL 13 -3.658 -1.247 2.710 74 HB VAL 13 HB VAL 13 -0.818 -0.299 3.118 75 HG11 VAL 13 1HG1 VAL 13 -1.515 1.827 3.018 76 HG12 VAL 13 2HG1 VAL 13 -2.906 1.179 2.147 77 HG13 VAL 13 3HG1 VAL 13 -3.011 1.474 3.883 78 HG21 VAL 13 3HG2 VAL 13 -1.666 -1.612 4.992 79 HG22 VAL 13 1HG2 VAL 13 -1.514 0.089 5.431 80 HG23 VAL 13 2HG2 VAL 13 -3.101 -0.589 5.070 81 H LYS 14 H LYS 14 -4.377 -0.317 0.909 82 HA LYS 14 HA LYS 14 -3.163 -0.751 -1.594 83 HB2 LYS 14 1HB LYS 14 -5.322 1.207 -0.793 84 HB3 LYS 14 2HB LYS 14 -4.886 0.826 -2.454 85 HG2 LYS 14 1HG LYS 14 -5.860 -1.235 -2.387 86 HG3 LYS 14 2HG LYS 14 -5.620 -1.415 -0.647 87 HD2 LYS 14 1HD LYS 14 -7.873 -1.050 -0.675 88 HD3 LYS 14 2HD LYS 14 -7.314 0.622 -0.576 89 HE2 LYS 14 1HE LYS 14 -7.640 0.956 -2.903 90 HE3 LYS 14 2HE LYS 14 -7.880 -0.767 -3.185 91 HZ1 LYS 14 3HZ LYS 14 -9.711 0.503 -1.315 92 HZ2 LYS 14 1HZ LYS 14 -10.008 -0.676 -2.492 93 HZ3 LYS 14 2HZ LYS 14 -9.878 0.950 -2.939 94 H TYR 15 H TYR 15 -1.615 0.315 -2.638 95 HA TYR 15 HA TYR 15 -0.815 2.956 -1.613 96 HB2 TYR 15 1HB TYR 15 1.415 2.493 -2.349 97 HB3 TYR 15 2HB TYR 15 0.858 1.082 -1.455 98 HD1 TYR 15 HD1 TYR 15 1.729 2.394 -4.768 99 HD2 TYR 15 HD2 TYR 15 0.471 -1.028 -2.575 100 HE1 TYR 15 HE1 TYR 15 2.282 0.966 -6.693 101 HE2 TYR 15 HE2 TYR 15 1.021 -2.466 -4.493 102 HH TYR 15 HH TYR 15 1.318 -2.314 -6.883 103 H HIS 16 H HIS 16 0.281 4.345 -3.320 104 HA HIS 16 HA HIS 16 -1.407 4.334 -5.721 105 HB2 HIS 16 1HB HIS 16 0.022 6.501 -4.213 106 HB3 HIS 16 2HB HIS 16 -0.439 6.747 -5.894 107 HD2 HIS 16 HD2 HIS 16 -1.911 7.230 -2.475 108 HE1 HIS 16 HE1 HIS 16 -5.219 6.988 -5.120 109 HE2 HIS 16 HE2 HIS 16 -4.436 7.668 -2.825 110 H SER 17 H SER 17 -0.531 3.600 -7.529 111 HA SER 17 HA SER 17 2.358 3.399 -7.778 112 HB2 SER 17 1HB SER 17 0.616 1.584 -8.435 113 HB3 SER 17 2HB SER 17 0.401 2.548 -9.897 114 HG SER 17 HG SER 17 2.820 2.392 -9.999 115 H GLY 18 H GLY 18 1.499 6.036 -7.761 116 HA2 GLY 18 1HA GLY 18 2.505 6.911 -10.332 117 HA3 GLY 18 2HA GLY 18 0.842 7.379 -10.004 118 H PHE 19 H PHE 19 2.041 9.521 -10.335 119 HA PHE 19 HA PHE 19 3.084 10.446 -7.739 120 HB2 PHE 19 1HB PHE 19 3.631 11.763 -10.396 121 HB3 PHE 19 2HB PHE 19 4.456 12.032 -8.865 122 HD1 PHE 19 HD2 PHE 19 5.618 9.894 -7.857 123 HD2 PHE 19 HD1 PHE 19 4.630 10.419 -11.964 124 HE1 PHE 19 HE2 PHE 19 7.310 8.217 -8.475 125 HE2 PHE 19 HE1 PHE 19 6.320 8.742 -12.587 126 HZ PHE 19 HZ PHE 19 7.663 7.640 -10.842 127 H PHE 20 H PHE 20 2.811 12.955 -7.584 128 HA PHE 20 HA PHE 20 0.012 13.561 -8.274 129 HB2 PHE 20 1HB PHE 20 0.567 13.300 -5.825 130 HB3 PHE 20 2HB PHE 20 1.588 14.726 -5.974 131 HD1 PHE 20 HD1 PHE 20 -1.857 13.477 -6.000 132 HD2 PHE 20 HD2 PHE 20 0.640 16.919 -6.166 133 HE1 PHE 20 HE1 PHE 20 -3.813 14.911 -5.587 134 HE2 PHE 20 HE2 PHE 20 -1.311 18.359 -5.753 135 HZ PHE 20 HZ PHE 20 -3.541 17.356 -5.461 136 H VAL 21 H VAL 21 0.023 14.843 -10.013 137 HA VAL 21 HA VAL 21 1.671 17.275 -9.909 138 HB VAL 21 HB VAL 21 1.260 15.564 -12.365 139 HG11 VAL 21 1HG1 VAL 21 1.310 18.130 -12.595 140 HG12 VAL 21 2HG1 VAL 21 3.023 17.982 -12.196 141 HG13 VAL 21 3HG1 VAL 21 2.375 17.172 -13.623 142 HG21 VAL 21 3HG2 VAL 21 3.215 15.451 -10.310 143 HG22 VAL 21 1HG2 VAL 21 3.137 14.520 -11.806 144 HG23 VAL 21 2HG2 VAL 21 3.995 16.060 -11.770 145 H ASP 22 H ASP 22 0.722 19.120 -10.696 146 HA ASP 22 HA ASP 22 -0.944 20.551 -11.288 147 HB2 ASP 22 1HB ASP 22 -0.827 18.878 -13.332 148 HB3 ASP 22 2HB ASP 22 -2.415 18.395 -12.742 149 H GLY 23 H GLY 23 -1.209 19.490 -8.798 150 HA2 GLY 23 1HA GLY 23 -2.719 19.139 -7.104 151 HA3 GLY 23 2HA GLY 23 -3.856 19.998 -8.132 152 H LYS 24 H LYS 24 -2.307 16.928 -8.895 153 HA LYS 24 HA LYS 24 -4.526 15.316 -8.113 154 HB2 LYS 24 1HB LYS 24 -4.327 16.277 -10.932 155 HB3 LYS 24 2HB LYS 24 -4.852 14.622 -10.650 156 HG2 LYS 24 1HG LYS 24 -6.502 15.766 -8.963 157 HG3 LYS 24 2HG LYS 24 -6.202 17.184 -9.971 158 HD2 LYS 24 1HD LYS 24 -6.924 15.976 -11.942 159 HD3 LYS 24 2HD LYS 24 -7.123 14.498 -10.997 160 HE2 LYS 24 1HE LYS 24 -9.287 15.276 -11.086 161 HE3 LYS 24 2HE LYS 24 -8.731 15.973 -9.565 162 HZ1 LYS 24 3HZ LYS 24 -8.296 17.595 -11.932 163 HZ2 LYS 24 1HZ LYS 24 -8.811 18.049 -10.387 164 HZ3 LYS 24 2HZ LYS 24 -9.913 17.382 -11.483 165 H PHE 25 H PHE 25 -4.281 13.037 -8.994 166 HA PHE 25 HA PHE 25 -1.467 12.328 -8.840 167 HB2 PHE 25 1HB PHE 25 -4.033 10.770 -8.643 168 HB3 PHE 25 2HB PHE 25 -2.485 9.952 -8.822 169 HD1 PHE 25 HD1 PHE 25 -0.682 10.431 -7.095 170 HD2 PHE 25 HD2 PHE 25 -4.771 11.483 -6.555 171 HE1 PHE 25 HE1 PHE 25 -0.318 10.588 -4.666 172 HE2 PHE 25 HE2 PHE 25 -4.414 11.643 -4.126 173 HZ PHE 25 HZ PHE 25 -2.185 11.196 -3.178 174 H LEU 26 H LEU 26 -0.995 10.202 -10.223 175 HA LEU 26 HA LEU 26 -1.743 10.830 -13.003 176 HB2 LEU 26 1HB LEU 26 0.874 9.985 -11.811 177 HB3 LEU 26 2HB LEU 26 0.519 9.710 -13.516 178 HG LEU 26 HG LEU 26 0.091 12.227 -13.650 179 HD11 LEU 26 1HD1 LEU 26 1.227 13.585 -11.977 180 HD12 LEU 26 2HD1 LEU 26 1.610 12.138 -11.047 181 HD13 LEU 26 3HD1 LEU 26 -0.069 12.637 -11.249 182 HD21 LEU 26 3HD2 LEU 26 2.727 12.568 -13.438 183 HD22 LEU 26 1HD2 LEU 26 1.987 11.679 -14.769 184 HD23 LEU 26 2HD2 LEU 26 2.676 10.805 -13.401 185 H CYS 27 H CYS 27 -1.393 8.408 -10.558 186 HA CYS 27 HA CYS 27 -1.689 6.182 -12.374 187 HB2 CYS 27 1HB CYS 27 -1.983 4.914 -10.150 188 HB3 CYS 27 2HB CYS 27 -0.415 5.646 -10.478 189 H CYS 28 H CYS 28 -3.703 7.915 -10.037 190 HA CYS 28 HA CYS 28 -6.049 6.497 -11.120 191 HB2 CYS 28 1HB CYS 28 -7.117 7.245 -8.891 192 HB3 CYS 28 2HB CYS 28 -5.977 5.904 -8.854 193 H GLN 29 H GLN 29 -4.604 9.567 -10.363 194 HA GLN 29 HA GLN 29 -5.145 11.702 -10.934 195 HB2 GLN 29 1HB GLN 29 -7.137 10.381 -12.786 196 HB3 GLN 29 2HB GLN 29 -6.610 12.056 -12.866 197 HG2 GLN 29 1HG GLN 29 -4.540 9.933 -12.999 198 HG3 GLN 29 2HG GLN 29 -5.571 10.188 -14.407 199 HE21 GLN 29 1HE2 GLN 29 -2.984 10.599 -14.775 200 HE22 GLN 29 2HE2 GLN 29 -2.613 12.283 -14.874 201 H GLN 30 H GLN 30 -6.259 10.801 -8.614 202 HA GLN 30 HA GLN 30 -9.083 11.251 -8.521 203 HB2 GLN 30 1HB GLN 30 -7.043 11.146 -6.292 204 HB3 GLN 30 2HB GLN 30 -8.788 11.143 -6.072 205 HG2 GLN 30 1HG GLN 30 -7.554 9.054 -7.792 206 HG3 GLN 30 2HG GLN 30 -7.412 8.918 -6.040 207 HE21 GLN 30 1HE2 GLN 30 -8.713 7.144 -5.834 208 HE22 GLN 30 2HE2 GLN 30 -10.414 7.175 -6.132 209 H SER 31 H SER 31 -9.814 12.878 -6.673 210 HA SER 31 HA SER 31 -8.947 15.495 -7.609 211 HB2 SER 31 1HB SER 31 -11.382 14.888 -7.454 212 HB3 SER 31 2HB SER 31 -11.201 14.842 -5.701 213 HG SER 31 HG SER 31 -10.992 17.049 -7.446 214 H CYS 32 H CYS 32 -9.526 13.904 -4.471 215 HA CYS 32 HA CYS 32 -8.184 15.962 -3.004 216 HB2 CYS 32 1HB CYS 32 -8.941 13.175 -2.105 217 HB3 CYS 32 2HB CYS 32 -8.528 14.533 -1.063 218 H LYS 33 H LYS 33 -6.333 15.463 -1.540 219 HA LYS 33 HA LYS 33 -4.242 14.133 -3.077 220 HB2 LYS 33 1HB LYS 33 -4.303 16.153 -0.883 221 HB3 LYS 33 2HB LYS 33 -2.866 15.152 -1.050 222 HG2 LYS 33 1HG LYS 33 -2.623 15.899 -3.369 223 HG3 LYS 33 2HG LYS 33 -4.050 16.921 -3.181 224 HD2 LYS 33 1HD LYS 33 -2.358 18.433 -2.784 225 HD3 LYS 33 2HD LYS 33 -2.726 17.890 -1.145 226 HE2 LYS 33 1HE LYS 33 -0.890 16.151 -1.499 227 HE3 LYS 33 2HE LYS 33 -0.425 17.102 -2.910 228 HZ1 LYS 33 3HZ LYS 33 0.888 18.025 -1.304 229 HZ2 LYS 33 1HZ LYS 33 -0.236 17.786 -0.063 230 HZ3 LYS 33 2HZ LYS 33 -0.462 19.036 -1.180 231 H ALA 34 H ALA 34 -5.605 14.082 0.203 232 HA ALA 34 HA ALA 34 -4.047 11.763 0.937 233 HB1 ALA 34 3HB ALA 34 -6.337 12.657 2.600 234 HB2 ALA 34 1HB ALA 34 -4.720 12.137 3.078 235 HB3 ALA 34 2HB ALA 34 -4.969 13.756 2.421 236 H ALA 35 H ALA 35 -5.637 11.285 -1.324 237 HA ALA 35 HA ALA 35 -8.046 9.917 -0.578 238 HB1 ALA 35 3HB ALA 35 -8.127 10.771 -2.735 239 HB2 ALA 35 1HB ALA 35 -6.501 10.211 -3.126 240 HB3 ALA 35 2HB ALA 35 -7.827 9.054 -3.004 241 HA PRO 36 HA PRO 36 -6.502 5.921 0.383 242 HB2 PRO 36 1HB PRO 36 -8.466 4.334 -0.614 243 HB3 PRO 36 2HB PRO 36 -8.673 5.320 0.839 244 HG2 PRO 36 1HG PRO 36 -9.554 5.874 -1.967 245 HG3 PRO 36 2HG PRO 36 -10.435 6.121 -0.449 246 HD2 PRO 36 1HD PRO 36 -9.199 8.141 -1.761 247 HD3 PRO 36 2HD PRO 36 -9.345 8.100 0.008 248 H GLY 37 H GLY 37 -5.000 4.637 -0.500 249 HA2 GLY 37 1HA GLY 37 -3.911 4.748 -2.934 250 HA3 GLY 37 2HA GLY 37 -4.015 3.223 -2.065 251 H CYS 38 H CYS 38 -4.350 4.285 -4.994 252 HA CYS 38 HA CYS 38 -6.989 3.314 -5.663 253 HB2 CYS 38 1HB CYS 38 -6.384 3.857 -7.966 254 HB3 CYS 38 2HB CYS 38 -5.993 5.200 -6.897 255 H THR 39 H THR 39 -3.676 2.173 -5.817 256 HA THR 39 HA THR 39 -4.181 -0.103 -7.440 257 HB THR 39 HB THR 39 -1.938 0.336 -5.457 258 HG1 THR 39 HG1 THR 39 -0.879 1.309 -7.102 259 HG21 THR 39 3HG2 THR 39 -2.156 -1.549 -7.809 260 HG22 THR 39 1HG2 THR 39 -2.192 -2.011 -6.107 261 HG23 THR 39 2HG2 THR 39 -0.727 -1.317 -6.802 262 H LEU 40 H LEU 40 -5.308 -1.846 -6.912 263 HA LEU 40 HA LEU 40 -5.243 -2.785 -4.125 264 HB2 LEU 40 1HB LEU 40 -7.507 -3.014 -3.979 265 HB3 LEU 40 2HB LEU 40 -7.402 -1.582 -5.000 266 HG LEU 40 HG LEU 40 -7.764 -4.350 -6.124 267 HD11 LEU 40 1HD1 LEU 40 -10.098 -2.581 -6.037 268 HD12 LEU 40 2HD1 LEU 40 -9.586 -3.201 -4.468 269 HD13 LEU 40 3HD1 LEU 40 -9.977 -4.320 -5.773 270 HD21 LEU 40 3HD2 LEU 40 -6.933 -2.545 -7.612 271 HD22 LEU 40 1HD2 LEU 40 -8.402 -1.633 -7.263 272 HD23 LEU 40 2HD2 LEU 40 -8.505 -3.187 -8.091 273 H TRP 41 H TRP 41 -4.568 -3.449 -7.281 274 HA TRP 41 HA TRP 41 -5.300 -6.243 -7.293 275 HB2 TRP 41 1HB TRP 41 -3.823 -4.445 -9.197 276 HB3 TRP 41 2HB TRP 41 -3.829 -6.192 -9.425 277 HD1 TRP 41 HD1 TRP 41 -6.591 -7.184 -9.273 278 HE1 TRP 41 HE1 TRP 41 -8.557 -6.268 -10.659 279 HE3 TRP 41 HE3 TRP 41 -4.695 -2.577 -10.426 280 HZ2 TRP 41 HZ2 TRP 41 -9.216 -3.906 -12.057 281 HZ3 TRP 41 HZ3 TRP 41 -6.057 -1.050 -11.793 282 HH2 TRP 41 HH2 TRP 41 -8.271 -1.703 -12.591 283 H GLU 42 H GLU 42 -3.698 -5.567 -5.085 284 HA GLU 42 HA GLU 42 -0.977 -6.342 -5.620 285 HB2 GLU 42 1HB GLU 42 -2.348 -6.133 -2.937 286 HB3 GLU 42 2HB GLU 42 -0.619 -6.097 -3.255 287 HG2 GLU 42 1HG GLU 42 -0.768 -3.962 -4.285 288 HG3 GLU 42 2HG GLU 42 -2.530 -4.020 -4.286 289 H ALA 43 H ALA 43 0.056 -8.230 -4.842 290 HA ALA 43 HA ALA 43 -1.552 -10.407 -3.815 291 HB1 ALA 43 3HB ALA 43 -1.766 -11.644 -5.657 292 HB2 ALA 43 1HB ALA 43 -1.351 -10.183 -6.556 293 HB3 ALA 43 2HB ALA 43 -0.096 -11.352 -6.146 294 H TYR 44 H TYR 44 -0.362 -11.332 -2.295 295 HA TYR 44 HA TYR 44 2.569 -11.256 -2.553 296 HB2 TYR 44 1HB TYR 44 1.462 -10.110 -0.575 297 HB3 TYR 44 2HB TYR 44 1.005 -11.713 -0.011 298 HD1 TYR 44 HD1 TYR 44 4.154 -10.302 -1.458 299 HD2 TYR 44 HD2 TYR 44 2.302 -12.331 1.791 300 HE1 TYR 44 HE1 TYR 44 6.344 -10.532 -0.361 301 HE2 TYR 44 HE2 TYR 44 4.486 -12.566 2.897 302 HH TYR 44 HH TYR 44 6.992 -12.626 2.026 303 H SER 45 H SER 45 1.099 -13.224 -3.925 304 HA SER 45 HA SER 45 1.462 -15.660 -2.338 305 HB2 SER 45 1HB SER 45 -0.667 -15.150 -3.709 306 HB3 SER 45 2HB SER 45 0.312 -15.556 -5.119 307 HG SER 45 HG SER 45 0.017 -17.570 -4.647 308 H GLY 46 H GLY 46 2.203 -14.496 -5.632 309 HA2 GLY 46 1HA GLY 46 4.851 -15.692 -5.444 310 HA3 GLY 46 2HA GLY 46 3.786 -16.379 -6.663 311 HA PRO 47 HA PRO 47 5.905 -12.246 -7.958 312 HB2 PRO 47 1HB PRO 47 8.266 -13.138 -8.958 313 HB3 PRO 47 2HB PRO 47 8.073 -12.604 -7.285 314 HG2 PRO 47 1HG PRO 47 8.097 -15.384 -8.396 315 HG3 PRO 47 2HG PRO 47 8.879 -14.757 -6.933 316 HD2 PRO 47 1HD PRO 47 6.552 -16.141 -6.862 317 HD3 PRO 47 2HD PRO 47 6.934 -14.855 -5.699 318 H SER 48 H SER 48 4.950 -15.200 -9.162 319 HA SER 48 HA SER 48 5.586 -14.719 -11.940 320 HB2 SER 48 1HB SER 48 4.069 -16.861 -10.469 321 HB3 SER 48 2HB SER 48 4.009 -16.755 -12.228 322 HG SER 48 HG SER 48 6.139 -17.199 -12.342 323 H SER 49 H SER 49 4.561 -12.989 -12.776 324 HA SER 49 HA SER 49 1.621 -12.941 -12.573 325 HB2 SER 49 1HB SER 49 3.477 -10.558 -12.785 326 HB3 SER 49 2HB SER 49 1.717 -10.490 -12.729 327 HG SER 49 HG SER 49 2.963 -10.183 -10.684 328 H GLY 50 H GLY 50 0.720 -11.448 -14.421 329 HA2 GLY 50 1HA GLY 50 1.069 -12.752 -16.837 330 HA3 GLY 50 2HA GLY 50 0.386 -11.142 -16.672 Start of MODEL 7 1 H1 GLY 1 H GLY 1 22.009 1.208 17.597 2 HA2 GLY 1 1HA GLY 1 21.290 3.557 19.196 3 HA3 GLY 1 2HA GLY 1 20.323 3.202 17.773 4 H SER 2 H SER 2 18.428 2.775 18.853 5 HA SER 2 HA SER 2 18.468 0.459 20.676 6 HB2 SER 2 1HB SER 2 17.630 2.803 21.464 7 HB3 SER 2 2HB SER 2 16.181 2.403 20.542 8 HG SER 2 HG SER 2 15.714 1.545 22.450 9 H SER 3 H SER 3 18.183 -1.201 19.249 10 HA SER 3 HA SER 3 16.201 -1.081 17.164 11 HB2 SER 3 1HB SER 3 17.829 -3.430 18.166 12 HB3 SER 3 2HB SER 3 16.880 -3.392 16.680 13 HG SER 3 HG SER 3 19.360 -2.344 17.211 14 H GLY 4 H GLY 4 14.153 -0.954 17.933 15 HA2 GLY 4 1HA GLY 4 13.318 -2.885 19.988 16 HA3 GLY 4 2HA GLY 4 12.450 -1.421 19.549 17 H SER 5 H SER 5 10.497 -2.231 18.999 18 HA SER 5 HA SER 5 10.202 -4.609 17.429 19 HB2 SER 5 1HB SER 5 8.116 -2.507 18.049 20 HB3 SER 5 2HB SER 5 7.823 -4.166 17.532 21 HG SER 5 HG SER 5 9.368 -3.802 19.817 22 H SER 6 H SER 6 8.963 -4.635 15.377 23 HA SER 6 HA SER 6 9.695 -2.336 13.682 24 HB2 SER 6 1HB SER 6 9.848 -4.007 11.808 25 HB3 SER 6 2HB SER 6 11.067 -4.214 13.064 26 HG SER 6 HG SER 6 10.200 -6.214 12.605 27 H GLY 7 H GLY 7 7.267 -2.370 15.022 28 HA2 GLY 7 1HA GLY 7 4.988 -2.262 14.709 29 HA3 GLY 7 2HA GLY 7 5.426 -1.747 13.087 30 H ASN 8 H ASN 8 3.441 -2.786 12.417 31 HA ASN 8 HA ASN 8 3.396 -5.698 12.546 32 HB2 ASN 8 1HB ASN 8 1.424 -3.574 11.847 33 HB3 ASN 8 2HB ASN 8 1.206 -5.166 11.126 34 HD21 ASN 8 1HD2 ASN 8 0.107 -3.357 13.493 35 HD22 ASN 8 2HD2 ASN 8 -0.209 -4.542 14.710 36 HA PRO 9 HA PRO 9 5.148 -6.281 8.550 37 HB2 PRO 9 1HB PRO 9 4.098 -8.715 7.967 38 HB3 PRO 9 2HB PRO 9 5.395 -8.487 9.145 39 HG2 PRO 9 1HG PRO 9 2.457 -8.828 9.606 40 HG3 PRO 9 2HG PRO 9 3.819 -9.552 10.481 41 HD2 PRO 9 1HD PRO 9 2.453 -7.412 11.424 42 HD3 PRO 9 2HD PRO 9 4.184 -7.655 11.737 43 H HIS 10 H HIS 10 3.937 -4.548 7.545 44 HA HIS 10 HA HIS 10 1.425 -5.286 6.257 45 HB2 HIS 10 1HB HIS 10 1.205 -2.952 5.689 46 HB3 HIS 10 2HB HIS 10 1.669 -3.071 7.385 47 HD2 HIS 10 HD2 HIS 10 4.974 -3.493 6.353 48 HE1 HIS 10 HE1 HIS 10 4.397 0.594 5.371 49 HE2 HIS 10 HE2 HIS 10 6.081 -1.252 5.687 50 H LEU 11 H LEU 11 2.016 -6.702 4.643 51 HA LEU 11 HA LEU 11 4.066 -5.913 2.733 52 HB2 LEU 11 1HB LEU 11 4.070 -8.087 1.989 53 HB3 LEU 11 2HB LEU 11 3.637 -8.287 3.685 54 HG LEU 11 HG LEU 11 1.183 -8.224 2.701 55 HD11 LEU 11 1HD1 LEU 11 2.618 -9.523 0.414 56 HD12 LEU 11 2HD1 LEU 11 2.207 -7.809 0.383 57 HD13 LEU 11 3HD1 LEU 11 0.932 -9.018 0.528 58 HD21 LEU 11 3HD2 LEU 11 1.774 -10.096 3.921 59 HD22 LEU 11 1HD2 LEU 11 3.140 -10.479 2.873 60 HD23 LEU 11 2HD2 LEU 11 1.492 -10.776 2.318 61 H LEU 12 H LEU 12 0.578 -6.433 2.873 62 HA LEU 12 HA LEU 12 0.345 -5.389 0.134 63 HB2 LEU 12 1HB LEU 12 -0.743 -7.454 0.235 64 HB3 LEU 12 2HB LEU 12 -1.425 -7.119 1.825 65 HG LEU 12 HG LEU 12 -2.867 -5.374 0.696 66 HD11 LEU 12 1HD1 LEU 12 -3.177 -5.489 -1.674 67 HD12 LEU 12 2HD1 LEU 12 -2.035 -6.826 -1.808 68 HD13 LEU 12 3HD1 LEU 12 -1.463 -5.221 -1.352 69 HD21 LEU 12 3HD2 LEU 12 -3.641 -7.633 1.386 70 HD22 LEU 12 1HD2 LEU 12 -3.263 -8.212 -0.237 71 HD23 LEU 12 2HD2 LEU 12 -4.505 -6.981 -0.008 72 H VAL 13 H VAL 13 0.417 -3.199 0.471 73 HA VAL 13 HA VAL 13 -1.701 -2.069 2.183 74 HB VAL 13 HB VAL 13 -0.321 -0.040 2.374 75 HG11 VAL 13 1HG1 VAL 13 0.661 -0.865 4.203 76 HG12 VAL 13 2HG1 VAL 13 -0.004 -2.422 3.708 77 HG13 VAL 13 3HG1 VAL 13 1.649 -1.988 3.271 78 HG21 VAL 13 3HG2 VAL 13 1.177 -1.327 0.290 79 HG22 VAL 13 1HG2 VAL 13 1.294 0.326 0.892 80 HG23 VAL 13 2HG2 VAL 13 2.230 -0.959 1.656 81 H LYS 14 H LYS 14 -2.898 -0.320 1.406 82 HA LYS 14 HA LYS 14 -3.155 -0.241 -1.475 83 HB2 LYS 14 1HB LYS 14 -4.712 1.278 0.625 84 HB3 LYS 14 2HB LYS 14 -5.151 1.089 -1.069 85 HG2 LYS 14 1HG LYS 14 -5.607 -1.216 -0.790 86 HG3 LYS 14 2HG LYS 14 -4.865 -1.238 0.812 87 HD2 LYS 14 1HD LYS 14 -6.635 0.003 1.759 88 HD3 LYS 14 2HD LYS 14 -7.260 0.466 0.174 89 HE2 LYS 14 1HE LYS 14 -8.247 -1.573 -0.183 90 HE3 LYS 14 2HE LYS 14 -7.102 -2.428 0.851 91 HZ1 LYS 14 3HZ LYS 14 -9.023 -0.514 2.009 92 HZ2 LYS 14 1HZ LYS 14 -8.232 -1.811 2.754 93 HZ3 LYS 14 2HZ LYS 14 -9.497 -2.102 1.669 94 H TYR 15 H TYR 15 -1.308 0.821 -2.193 95 HA TYR 15 HA TYR 15 -1.020 3.627 -1.351 96 HB2 TYR 15 1HB TYR 15 1.283 3.467 -2.271 97 HB3 TYR 15 2HB TYR 15 0.991 2.337 -0.953 98 HD1 TYR 15 HD1 TYR 15 0.680 2.408 -4.683 99 HD2 TYR 15 HD2 TYR 15 1.824 0.210 -1.225 100 HE1 TYR 15 HE1 TYR 15 1.425 0.554 -6.116 101 HE2 TYR 15 HE2 TYR 15 2.574 -1.650 -2.648 102 HH TYR 15 HH TYR 15 3.246 -2.103 -4.885 103 H HIS 16 H HIS 16 0.153 4.895 -3.269 104 HA HIS 16 HA HIS 16 -1.584 4.537 -5.617 105 HB2 HIS 16 1HB HIS 16 -0.329 6.984 -4.388 106 HB3 HIS 16 2HB HIS 16 -0.951 6.992 -6.036 107 HD2 HIS 16 HD2 HIS 16 -2.208 7.391 -2.452 108 HE1 HIS 16 HE1 HIS 16 -5.633 7.022 -4.929 109 HE2 HIS 16 HE2 HIS 16 -4.770 7.676 -2.655 110 H SER 17 H SER 17 -0.610 3.666 -7.313 111 HA SER 17 HA SER 17 2.261 3.659 -7.558 112 HB2 SER 17 1HB SER 17 1.842 2.302 -9.592 113 HB3 SER 17 2HB SER 17 1.007 1.660 -8.177 114 HG SER 17 HG SER 17 -0.020 2.531 -10.515 115 H GLY 18 H GLY 18 1.400 6.262 -7.608 116 HA2 GLY 18 1HA GLY 18 2.300 7.071 -10.255 117 HA3 GLY 18 2HA GLY 18 0.691 7.611 -9.798 118 H PHE 19 H PHE 19 1.398 9.786 -9.941 119 HA PHE 19 HA PHE 19 2.791 10.670 -7.521 120 HB2 PHE 19 1HB PHE 19 3.550 11.310 -10.353 121 HB3 PHE 19 2HB PHE 19 3.873 12.469 -9.067 122 HD1 PHE 19 HD2 PHE 19 5.202 11.607 -7.037 123 HD2 PHE 19 HD1 PHE 19 5.053 9.608 -10.792 124 HE1 PHE 19 HE2 PHE 19 7.274 10.406 -6.477 125 HE2 PHE 19 HE1 PHE 19 7.125 8.403 -10.237 126 HZ PHE 19 HZ PHE 19 8.239 8.802 -8.077 127 H PHE 20 H PHE 20 2.637 13.178 -7.397 128 HA PHE 20 HA PHE 20 -0.142 13.896 -8.046 129 HB2 PHE 20 1HB PHE 20 0.509 13.776 -5.620 130 HB3 PHE 20 2HB PHE 20 1.615 15.114 -5.909 131 HD1 PHE 20 HD1 PHE 20 -1.960 14.275 -6.591 132 HD2 PHE 20 HD2 PHE 20 0.865 17.190 -5.313 133 HE1 PHE 20 HE1 PHE 20 -3.791 15.867 -6.189 134 HE2 PHE 20 HE2 PHE 20 -0.961 18.788 -4.908 135 HZ PHE 20 HZ PHE 20 -3.293 18.127 -5.345 136 H VAL 21 H VAL 21 0.040 14.873 -10.010 137 HA VAL 21 HA VAL 21 1.715 17.296 -10.112 138 HB VAL 21 HB VAL 21 1.134 15.420 -12.407 139 HG11 VAL 21 1HG1 VAL 21 2.157 18.173 -12.266 140 HG12 VAL 21 2HG1 VAL 21 3.093 17.071 -13.278 141 HG13 VAL 21 3HG1 VAL 21 1.375 17.318 -13.595 142 HG21 VAL 21 3HG2 VAL 21 3.315 15.597 -10.471 143 HG22 VAL 21 1HG2 VAL 21 2.861 14.279 -11.552 144 HG23 VAL 21 2HG2 VAL 21 3.856 15.606 -12.150 145 H ASP 22 H ASP 22 0.738 19.131 -10.752 146 HA ASP 22 HA ASP 22 -0.873 20.586 -11.438 147 HB2 ASP 22 1HB ASP 22 -0.834 18.875 -13.434 148 HB3 ASP 22 2HB ASP 22 -2.404 18.399 -12.793 149 H GLY 23 H GLY 23 -1.106 19.424 -8.912 150 HA2 GLY 23 1HA GLY 23 -2.598 19.170 -7.186 151 HA3 GLY 23 2HA GLY 23 -3.693 20.134 -8.166 152 H LYS 24 H LYS 24 -2.381 16.950 -8.949 153 HA LYS 24 HA LYS 24 -4.709 15.507 -8.176 154 HB2 LYS 24 1HB LYS 24 -5.582 16.730 -10.161 155 HB3 LYS 24 2HB LYS 24 -4.343 15.959 -11.143 156 HG2 LYS 24 1HG LYS 24 -5.296 13.785 -10.714 157 HG3 LYS 24 2HG LYS 24 -6.481 14.490 -9.613 158 HD2 LYS 24 1HD LYS 24 -7.715 14.292 -11.550 159 HD3 LYS 24 2HD LYS 24 -7.115 15.946 -11.688 160 HE2 LYS 24 1HE LYS 24 -5.540 13.691 -12.855 161 HE3 LYS 24 2HE LYS 24 -6.947 14.310 -13.717 162 HZ1 LYS 24 3HZ LYS 24 -5.268 15.600 -14.562 163 HZ2 LYS 24 1HZ LYS 24 -4.405 15.653 -13.107 164 HZ3 LYS 24 2HZ LYS 24 -5.804 16.585 -13.295 165 H PHE 25 H PHE 25 -4.522 13.248 -8.559 166 HA PHE 25 HA PHE 25 -1.811 12.339 -8.638 167 HB2 PHE 25 1HB PHE 25 -4.481 11.057 -8.246 168 HB3 PHE 25 2HB PHE 25 -3.106 10.035 -8.648 169 HD1 PHE 25 HD1 PHE 25 -0.898 11.046 -7.203 170 HD2 PHE 25 HD2 PHE 25 -4.984 10.902 -6.019 171 HE1 PHE 25 HE1 PHE 25 -0.210 11.043 -4.841 172 HE2 PHE 25 HE2 PHE 25 -4.303 10.900 -3.655 173 HZ PHE 25 HZ PHE 25 -1.913 10.972 -3.064 174 H LEU 26 H LEU 26 -1.324 10.304 -10.004 175 HA LEU 26 HA LEU 26 -2.176 10.845 -12.773 176 HB2 LEU 26 1HB LEU 26 0.460 10.059 -11.604 177 HB3 LEU 26 2HB LEU 26 0.073 9.625 -13.267 178 HG LEU 26 HG LEU 26 -0.331 12.089 -13.678 179 HD11 LEU 26 1HD1 LEU 26 -0.354 12.403 -11.049 180 HD12 LEU 26 2HD1 LEU 26 0.184 13.681 -12.138 181 HD13 LEU 26 3HD1 LEU 26 1.370 12.666 -11.317 182 HD21 LEU 26 3HD2 LEU 26 1.940 12.506 -14.141 183 HD22 LEU 26 1HD2 LEU 26 1.748 10.757 -14.263 184 HD23 LEU 26 2HD2 LEU 26 2.483 11.465 -12.824 185 H CYS 27 H CYS 27 -1.724 8.453 -10.297 186 HA CYS 27 HA CYS 27 -2.006 6.164 -11.978 187 HB2 CYS 27 1HB CYS 27 -2.562 5.048 -9.714 188 HB3 CYS 27 2HB CYS 27 -0.949 5.716 -9.938 189 H CYS 28 H CYS 28 -4.228 7.869 -9.782 190 HA CYS 28 HA CYS 28 -6.467 6.664 -11.271 191 HB2 CYS 28 1HB CYS 28 -7.746 6.924 -9.062 192 HB3 CYS 28 2HB CYS 28 -6.569 5.619 -9.163 193 H GLN 29 H GLN 29 -4.983 9.276 -11.483 194 HA GLN 29 HA GLN 29 -5.398 11.554 -11.483 195 HB2 GLN 29 1HB GLN 29 -7.612 10.185 -12.967 196 HB3 GLN 29 2HB GLN 29 -7.608 11.938 -12.826 197 HG2 GLN 29 1HG GLN 29 -6.586 11.395 -14.888 198 HG3 GLN 29 2HG GLN 29 -5.308 11.928 -13.799 199 HE21 GLN 29 1HE2 GLN 29 -3.628 10.862 -14.703 200 HE22 GLN 29 2HE2 GLN 29 -3.500 9.141 -14.779 201 H GLN 30 H GLN 30 -6.141 10.474 -8.985 202 HA GLN 30 HA GLN 30 -8.745 11.561 -8.318 203 HB2 GLN 30 1HB GLN 30 -6.671 9.968 -6.879 204 HB3 GLN 30 2HB GLN 30 -7.832 10.886 -5.931 205 HG2 GLN 30 1HG GLN 30 -9.543 9.684 -7.556 206 HG3 GLN 30 2HG GLN 30 -8.235 8.506 -7.646 207 HE21 GLN 30 1HE2 GLN 30 -7.517 7.521 -5.688 208 HE22 GLN 30 2HE2 GLN 30 -8.591 7.374 -4.340 209 H SER 31 H SER 31 -8.783 13.738 -8.338 210 HA SER 31 HA SER 31 -6.817 15.557 -7.923 211 HB2 SER 31 1HB SER 31 -9.724 15.699 -7.124 212 HB3 SER 31 2HB SER 31 -8.639 17.085 -7.007 213 HG SER 31 HG SER 31 -8.193 16.588 -9.325 214 H CYS 32 H CYS 32 -8.624 13.832 -5.441 215 HA CYS 32 HA CYS 32 -7.623 15.273 -3.222 216 HB2 CYS 32 1HB CYS 32 -8.657 12.433 -3.361 217 HB3 CYS 32 2HB CYS 32 -8.422 13.362 -1.884 218 H LYS 33 H LYS 33 -5.900 14.912 -1.879 219 HA LYS 33 HA LYS 33 -3.707 13.388 -3.017 220 HB2 LYS 33 1HB LYS 33 -3.973 15.405 -0.818 221 HB3 LYS 33 2HB LYS 33 -2.548 14.377 -0.884 222 HG2 LYS 33 1HG LYS 33 -2.212 15.167 -3.244 223 HG3 LYS 33 2HG LYS 33 -3.491 16.347 -2.950 224 HD2 LYS 33 1HD LYS 33 -1.151 16.143 -1.092 225 HD3 LYS 33 2HD LYS 33 -1.021 17.049 -2.601 226 HE2 LYS 33 1HE LYS 33 -3.229 17.523 -0.616 227 HE3 LYS 33 2HE LYS 33 -1.679 18.359 -0.521 228 HZ1 LYS 33 3HZ LYS 33 -2.916 19.816 -1.757 229 HZ2 LYS 33 1HZ LYS 33 -3.800 18.603 -2.539 230 HZ3 LYS 33 2HZ LYS 33 -2.199 18.908 -2.993 231 H ALA 34 H ALA 34 -5.507 13.495 0.048 232 HA ALA 34 HA ALA 34 -4.227 11.077 0.992 233 HB1 ALA 34 3HB ALA 34 -4.646 12.599 2.710 234 HB2 ALA 34 1HB ALA 34 -6.281 12.936 2.140 235 HB3 ALA 34 2HB ALA 34 -5.913 11.387 2.900 236 H ALA 35 H ALA 35 -5.597 10.690 -1.429 237 HA ALA 35 HA ALA 35 -8.165 9.504 -0.900 238 HB1 ALA 35 3HB ALA 35 -6.756 10.372 -3.187 239 HB2 ALA 35 1HB ALA 35 -7.106 8.657 -3.407 240 HB3 ALA 35 2HB ALA 35 -8.418 9.791 -3.083 241 HA PRO 36 HA PRO 36 -7.035 5.353 -0.042 242 HB2 PRO 36 1HB PRO 36 -8.822 3.920 -1.500 243 HB3 PRO 36 2HB PRO 36 -9.272 4.828 -0.053 244 HG2 PRO 36 1HG PRO 36 -9.570 5.586 -2.933 245 HG3 PRO 36 2HG PRO 36 -10.721 5.786 -1.599 246 HD2 PRO 36 1HD PRO 36 -9.183 7.819 -2.512 247 HD3 PRO 36 2HD PRO 36 -9.673 7.682 -0.811 248 H GLY 37 H GLY 37 -5.682 3.757 -0.737 249 HA2 GLY 37 1HA GLY 37 -4.140 4.092 -3.022 250 HA3 GLY 37 2HA GLY 37 -4.262 2.592 -2.115 251 H CYS 38 H CYS 38 -5.115 4.257 -4.978 252 HA CYS 38 HA CYS 38 -7.314 2.831 -5.893 253 HB2 CYS 38 1HB CYS 38 -6.547 3.435 -8.166 254 HB3 CYS 38 2HB CYS 38 -6.482 4.800 -7.054 255 H THR 39 H THR 39 -4.058 1.814 -5.476 256 HA THR 39 HA THR 39 -3.903 -0.258 -7.362 257 HB THR 39 HB THR 39 -2.159 -1.234 -5.892 258 HG1 THR 39 HG1 THR 39 -1.708 0.370 -4.030 259 HG21 THR 39 3HG2 THR 39 -1.386 0.419 -7.397 260 HG22 THR 39 1HG2 THR 39 -0.689 0.839 -5.833 261 HG23 THR 39 2HG2 THR 39 -2.087 1.726 -6.442 262 H LEU 40 H LEU 40 -5.512 -0.045 -4.290 263 HA LEU 40 HA LEU 40 -5.790 -2.508 -3.309 264 HB2 LEU 40 1HB LEU 40 -7.828 -1.906 -2.425 265 HB3 LEU 40 2HB LEU 40 -7.107 -0.341 -2.794 266 HG LEU 40 HG LEU 40 -8.966 -1.642 -4.746 267 HD11 LEU 40 1HD1 LEU 40 -9.682 -0.977 -2.099 268 HD12 LEU 40 2HD1 LEU 40 -10.739 -1.421 -3.439 269 HD13 LEU 40 3HD1 LEU 40 -10.346 0.273 -3.150 270 HD21 LEU 40 3HD2 LEU 40 -9.098 0.424 -5.699 271 HD22 LEU 40 1HD2 LEU 40 -7.475 0.530 -5.017 272 HD23 LEU 40 2HD2 LEU 40 -8.836 1.269 -4.173 273 H TRP 41 H TRP 41 -6.862 -4.418 -3.730 274 HA TRP 41 HA TRP 41 -6.959 -5.422 -6.257 275 HB2 TRP 41 1HB TRP 41 -8.158 -7.267 -5.407 276 HB3 TRP 41 2HB TRP 41 -7.256 -6.647 -4.027 277 HD1 TRP 41 HD1 TRP 41 -10.816 -6.102 -5.507 278 HE1 TRP 41 HE1 TRP 41 -12.469 -5.973 -3.539 279 HE3 TRP 41 HE3 TRP 41 -7.512 -6.588 -1.636 280 HZ2 TRP 41 HZ2 TRP 41 -12.385 -6.064 -0.719 281 HZ3 TRP 41 HZ3 TRP 41 -8.379 -6.556 0.666 282 HH2 TRP 41 HH2 TRP 41 -10.765 -6.299 1.114 283 H GLU 42 H GLU 42 -8.482 -5.682 -7.876 284 HA GLU 42 HA GLU 42 -11.039 -4.284 -7.581 285 HB2 GLU 42 1HB GLU 42 -8.982 -3.768 -9.724 286 HB3 GLU 42 2HB GLU 42 -10.676 -3.343 -9.920 287 HG2 GLU 42 1HG GLU 42 -10.581 -1.800 -8.114 288 HG3 GLU 42 2HG GLU 42 -8.975 -2.355 -7.647 289 H ALA 43 H ALA 43 -12.542 -4.779 -9.397 290 HA ALA 43 HA ALA 43 -13.198 -7.350 -9.683 291 HB1 ALA 43 3HB ALA 43 -13.379 -5.308 -11.895 292 HB2 ALA 43 1HB ALA 43 -14.297 -6.811 -11.810 293 HB3 ALA 43 2HB ALA 43 -14.551 -5.553 -10.599 294 H TYR 44 H TYR 44 -11.725 -8.939 -9.948 295 HA TYR 44 HA TYR 44 -9.532 -8.804 -11.745 296 HB2 TYR 44 1HB TYR 44 -9.448 -10.234 -9.780 297 HB3 TYR 44 2HB TYR 44 -10.810 -11.177 -10.372 298 HD1 TYR 44 HD1 TYR 44 -7.338 -10.182 -11.304 299 HD2 TYR 44 HD2 TYR 44 -10.415 -13.105 -11.609 300 HE1 TYR 44 HE1 TYR 44 -5.780 -11.693 -12.459 301 HE2 TYR 44 HE2 TYR 44 -8.865 -14.625 -12.763 302 HH TYR 44 HH TYR 44 -5.739 -14.466 -12.693 303 H SER 45 H SER 45 -12.351 -10.992 -11.825 304 HA SER 45 HA SER 45 -12.967 -10.480 -14.537 305 HB2 SER 45 1HB SER 45 -12.215 -12.557 -15.564 306 HB3 SER 45 2HB SER 45 -10.832 -11.706 -14.877 307 HG SER 45 HG SER 45 -12.133 -13.543 -13.241 308 H GLY 46 H GLY 46 -14.342 -12.486 -15.410 309 HA2 GLY 46 1HA GLY 46 -15.652 -14.148 -13.552 310 HA3 GLY 46 2HA GLY 46 -16.589 -12.674 -13.748 311 HA PRO 47 HA PRO 47 -17.402 -15.892 -17.169 312 HB2 PRO 47 1HB PRO 47 -19.796 -16.819 -16.289 313 HB3 PRO 47 2HB PRO 47 -18.256 -17.563 -15.845 314 HG2 PRO 47 1HG PRO 47 -19.951 -15.647 -14.290 315 HG3 PRO 47 2HG PRO 47 -19.108 -17.102 -13.731 316 HD2 PRO 47 1HD PRO 47 -18.123 -14.609 -13.343 317 HD3 PRO 47 2HD PRO 47 -17.076 -16.022 -13.584 318 H SER 48 H SER 48 -17.611 -13.817 -18.268 319 HA SER 48 HA SER 48 -20.427 -12.991 -18.524 320 HB2 SER 48 1HB SER 48 -18.700 -11.350 -17.408 321 HB3 SER 48 2HB SER 48 -18.204 -11.058 -19.075 322 HG SER 48 HG SER 48 -20.928 -10.963 -18.399 323 H SER 49 H SER 49 -21.017 -12.129 -20.625 324 HA SER 49 HA SER 49 -19.441 -13.376 -22.775 325 HB2 SER 49 1HB SER 49 -21.645 -14.327 -22.656 326 HB3 SER 49 2HB SER 49 -22.391 -12.731 -22.592 327 HG SER 49 HG SER 49 -22.262 -12.600 -24.687 328 H GLY 50 H GLY 50 -18.140 -11.892 -23.663 329 HA2 GLY 50 1HA GLY 50 -18.760 -10.000 -25.423 330 HA3 GLY 50 2HA GLY 50 -19.026 -9.128 -23.922 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -11.710 7.239 14.792 2 HA2 GLY 1 1HA GLY 1 -11.695 6.688 11.888 3 HA3 GLY 1 2HA GLY 1 -11.233 8.252 12.542 4 H SER 2 H SER 2 -9.182 8.092 11.561 5 HA SER 2 HA SER 2 -7.302 6.475 13.112 6 HB2 SER 2 1HB SER 2 -6.099 5.804 11.046 7 HB3 SER 2 2HB SER 2 -7.728 5.131 11.126 8 HG SER 2 HG SER 2 -7.160 6.061 9.063 9 H SER 3 H SER 3 -5.074 7.210 12.913 10 HA SER 3 HA SER 3 -4.414 9.625 11.571 11 HB2 SER 3 1HB SER 3 -5.879 10.474 13.446 12 HB3 SER 3 2HB SER 3 -4.660 9.880 14.574 13 HG SER 3 HG SER 3 -3.596 11.639 14.202 14 H GLY 4 H GLY 4 -2.263 10.539 12.597 15 HA2 GLY 4 1HA GLY 4 -0.226 8.809 12.226 16 HA3 GLY 4 2HA GLY 4 -0.109 10.154 13.350 17 H SER 5 H SER 5 1.073 7.440 13.429 18 HA SER 5 HA SER 5 0.302 6.825 16.170 19 HB2 SER 5 1HB SER 5 0.069 4.900 13.868 20 HB3 SER 5 2HB SER 5 0.346 4.322 15.510 21 HG SER 5 HG SER 5 -1.932 5.279 14.369 22 H SER 6 H SER 6 1.801 5.003 17.021 23 HA SER 6 HA SER 6 4.433 5.920 16.922 24 HB2 SER 6 1HB SER 6 3.188 3.361 17.897 25 HB3 SER 6 2HB SER 6 4.936 3.587 17.944 26 HG SER 6 HG SER 6 4.715 5.155 19.413 27 H GLY 7 H GLY 7 3.223 2.814 15.632 28 HA2 GLY 7 1HA GLY 7 5.221 3.059 13.475 29 HA3 GLY 7 2HA GLY 7 5.039 1.557 14.367 30 H ASN 8 H ASN 8 4.783 1.073 11.883 31 HA ASN 8 HA ASN 8 1.911 1.194 11.239 32 HB2 ASN 8 1HB ASN 8 2.858 0.634 8.855 33 HB3 ASN 8 2HB ASN 8 2.898 2.290 9.454 34 HD21 ASN 8 1HD2 ASN 8 4.813 3.283 9.746 35 HD22 ASN 8 2HD2 ASN 8 6.346 2.557 9.415 36 HA PRO 9 HA PRO 9 2.901 -3.238 12.146 37 HB2 PRO 9 1HB PRO 9 0.600 -3.706 13.508 38 HB3 PRO 9 2HB PRO 9 2.052 -3.046 14.272 39 HG2 PRO 9 1HG PRO 9 -0.395 -1.618 13.307 40 HG3 PRO 9 2HG PRO 9 0.521 -1.380 14.806 41 HD2 PRO 9 1HD PRO 9 0.798 0.242 12.657 42 HD3 PRO 9 2HD PRO 9 2.140 -0.112 13.765 43 H HIS 10 H HIS 10 0.839 -1.528 10.214 44 HA HIS 10 HA HIS 10 -1.136 -3.395 9.501 45 HB2 HIS 10 1HB HIS 10 0.119 -1.096 8.007 46 HB3 HIS 10 2HB HIS 10 -1.169 -2.077 7.311 47 HD2 HIS 10 HD2 HIS 10 -2.169 0.828 7.625 48 HE1 HIS 10 HE1 HIS 10 -3.717 -0.226 11.431 49 HE2 HIS 10 HE2 HIS 10 -3.836 1.406 9.516 50 H LEU 11 H LEU 11 -0.227 -5.440 9.287 51 HA LEU 11 HA LEU 11 2.008 -6.255 7.971 52 HB2 LEU 11 1HB LEU 11 0.762 -7.890 9.089 53 HB3 LEU 11 2HB LEU 11 -0.705 -7.513 8.187 54 HG LEU 11 HG LEU 11 0.599 -8.416 6.143 55 HD11 LEU 11 1HD1 LEU 11 2.554 -9.455 6.428 56 HD12 LEU 11 2HD1 LEU 11 2.021 -10.249 7.909 57 HD13 LEU 11 3HD1 LEU 11 2.636 -8.597 7.966 58 HD21 LEU 11 3HD2 LEU 11 -0.526 -10.067 8.384 59 HD22 LEU 11 1HD2 LEU 11 0.006 -10.791 6.866 60 HD23 LEU 11 2HD2 LEU 11 -1.291 -9.595 6.866 61 H LEU 12 H LEU 12 -1.134 -5.529 6.504 62 HA LEU 12 HA LEU 12 0.198 -5.495 3.877 63 HB2 LEU 12 1HB LEU 12 -1.877 -6.210 2.858 64 HB3 LEU 12 2HB LEU 12 -1.343 -7.379 4.064 65 HG LEU 12 HG LEU 12 -3.368 -5.312 4.809 66 HD11 LEU 12 1HD1 LEU 12 -3.722 -7.452 2.845 67 HD12 LEU 12 2HD1 LEU 12 -4.711 -6.027 3.168 68 HD13 LEU 12 3HD1 LEU 12 -4.893 -7.473 4.163 69 HD21 LEU 12 3HD2 LEU 12 -3.454 -6.505 6.678 70 HD22 LEU 12 1HD2 LEU 12 -2.134 -7.501 6.066 71 HD23 LEU 12 2HD2 LEU 12 -3.806 -7.975 5.770 72 H VAL 13 H VAL 13 0.005 -3.683 2.702 73 HA VAL 13 HA VAL 13 -2.140 -1.794 3.237 74 HB VAL 13 HB VAL 13 -0.381 -1.118 4.819 75 HG11 VAL 13 1HG1 VAL 13 1.323 -1.684 2.605 76 HG12 VAL 13 2HG1 VAL 13 1.544 0.001 3.080 77 HG13 VAL 13 3HG1 VAL 13 1.761 -1.286 4.266 78 HG21 VAL 13 3HG2 VAL 13 -0.518 1.158 4.378 79 HG22 VAL 13 1HG2 VAL 13 -0.396 0.929 2.633 80 HG23 VAL 13 2HG2 VAL 13 -1.886 0.504 3.478 81 H LYS 14 H LYS 14 -2.471 -0.285 1.569 82 HA LYS 14 HA LYS 14 -1.213 -1.054 -0.968 83 HB2 LYS 14 1HB LYS 14 -3.150 0.211 -1.980 84 HB3 LYS 14 2HB LYS 14 -3.582 -1.234 -1.076 85 HG2 LYS 14 1HG LYS 14 -4.178 0.166 0.850 86 HG3 LYS 14 2HG LYS 14 -3.783 1.605 -0.091 87 HD2 LYS 14 1HD LYS 14 -5.585 1.286 -1.549 88 HD3 LYS 14 2HD LYS 14 -5.783 -0.404 -1.078 89 HE2 LYS 14 1HE LYS 14 -6.315 1.977 0.698 90 HE3 LYS 14 2HE LYS 14 -7.548 1.057 -0.163 91 HZ1 LYS 14 3HZ LYS 14 -6.697 -0.935 1.081 92 HZ2 LYS 14 1HZ LYS 14 -7.490 0.224 2.024 93 HZ3 LYS 14 2HZ LYS 14 -5.802 0.130 2.043 94 H TYR 15 H TYR 15 -1.083 0.827 -2.589 95 HA TYR 15 HA TYR 15 -0.476 3.405 -1.419 96 HB2 TYR 15 1HB TYR 15 1.798 3.460 -1.769 97 HB3 TYR 15 2HB TYR 15 1.593 1.769 -1.324 98 HD1 TYR 15 HD2 TYR 15 0.825 0.331 -3.579 99 HD2 TYR 15 HD1 TYR 15 3.324 3.771 -3.459 100 HE1 TYR 15 HE2 TYR 15 1.864 -0.358 -5.699 101 HE2 TYR 15 HE1 TYR 15 4.371 3.093 -5.578 102 HH TYR 15 HH TYR 15 3.093 0.894 -7.637 103 H HIS 16 H HIS 16 0.525 4.847 -3.270 104 HA HIS 16 HA HIS 16 -1.300 4.573 -5.527 105 HB2 HIS 16 1HB HIS 16 0.238 6.812 -4.304 106 HB3 HIS 16 2HB HIS 16 -0.143 6.923 -6.019 107 HD2 HIS 16 HD2 HIS 16 -1.652 8.088 -2.878 108 HE1 HIS 16 HE1 HIS 16 -4.982 7.250 -5.370 109 HE2 HIS 16 HE2 HIS 16 -4.175 8.454 -3.310 110 H SER 17 H SER 17 -0.646 3.612 -7.323 111 HA SER 17 HA SER 17 2.159 3.169 -7.839 112 HB2 SER 17 1HB SER 17 -0.396 2.307 -9.168 113 HB3 SER 17 2HB SER 17 1.154 2.083 -9.979 114 HG SER 17 HG SER 17 1.067 0.279 -8.851 115 H GLY 18 H GLY 18 1.624 5.883 -7.836 116 HA2 GLY 18 1HA GLY 18 2.604 6.615 -10.432 117 HA3 GLY 18 2HA GLY 18 0.957 7.165 -10.160 118 H PHE 19 H PHE 19 2.033 9.289 -10.487 119 HA PHE 19 HA PHE 19 3.217 10.251 -7.966 120 HB2 PHE 19 1HB PHE 19 3.636 11.470 -10.699 121 HB3 PHE 19 2HB PHE 19 4.478 11.876 -9.207 122 HD1 PHE 19 HD2 PHE 19 6.053 10.223 -8.203 123 HD2 PHE 19 HD1 PHE 19 4.358 9.700 -12.072 124 HE1 PHE 19 HE2 PHE 19 7.801 8.579 -8.743 125 HE2 PHE 19 HE1 PHE 19 6.104 8.054 -12.618 126 HZ PHE 19 HZ PHE 19 7.829 7.493 -10.953 127 H PHE 20 H PHE 20 2.681 12.424 -7.328 128 HA PHE 20 HA PHE 20 0.006 13.217 -8.261 129 HB2 PHE 20 1HB PHE 20 0.146 12.570 -5.884 130 HB3 PHE 20 2HB PHE 20 1.359 13.818 -5.623 131 HD1 PHE 20 HD2 PHE 20 0.715 16.220 -5.907 132 HD2 PHE 20 HD1 PHE 20 -2.148 13.071 -5.850 133 HE1 PHE 20 HE2 PHE 20 -1.064 17.851 -5.429 134 HE2 PHE 20 HE1 PHE 20 -3.932 14.697 -5.374 135 HZ PHE 20 HZ PHE 20 -3.391 17.090 -5.161 136 H VAL 21 H VAL 21 0.248 14.741 -9.783 137 HA VAL 21 HA VAL 21 1.873 17.098 -9.092 138 HB VAL 21 HB VAL 21 2.470 17.367 -11.463 139 HG11 VAL 21 1HG1 VAL 21 3.738 15.882 -9.676 140 HG12 VAL 21 2HG1 VAL 21 3.361 14.604 -10.834 141 HG13 VAL 21 3HG1 VAL 21 4.299 16.008 -11.343 142 HG21 VAL 21 3HG2 VAL 21 1.991 15.754 -13.116 143 HG22 VAL 21 1HG2 VAL 21 1.418 14.588 -11.923 144 HG23 VAL 21 2HG2 VAL 21 0.468 16.031 -12.273 145 H ASP 22 H ASP 22 1.248 19.037 -10.420 146 HA ASP 22 HA ASP 22 -0.353 20.613 -10.826 147 HB2 ASP 22 1HB ASP 22 -0.342 19.021 -12.896 148 HB3 ASP 22 2HB ASP 22 -1.917 18.514 -12.291 149 H GLY 23 H GLY 23 -0.682 19.384 -8.347 150 HA2 GLY 23 1HA GLY 23 -2.215 19.136 -6.657 151 HA3 GLY 23 2HA GLY 23 -3.253 20.173 -7.625 152 H LYS 24 H LYS 24 -2.049 16.955 -8.456 153 HA LYS 24 HA LYS 24 -4.452 15.593 -7.784 154 HB2 LYS 24 1HB LYS 24 -4.122 16.655 -10.548 155 HB3 LYS 24 2HB LYS 24 -4.799 15.042 -10.367 156 HG2 LYS 24 1HG LYS 24 -6.362 16.244 -8.632 157 HG3 LYS 24 2HG LYS 24 -5.923 17.675 -9.566 158 HD2 LYS 24 1HD LYS 24 -6.901 15.171 -10.902 159 HD3 LYS 24 2HD LYS 24 -8.025 16.372 -10.263 160 HE2 LYS 24 1HE LYS 24 -5.803 17.141 -12.126 161 HE3 LYS 24 2HE LYS 24 -7.343 16.534 -12.736 162 HZ1 LYS 24 3HZ LYS 24 -7.016 19.057 -12.454 163 HZ2 LYS 24 1HZ LYS 24 -7.288 18.763 -10.810 164 HZ3 LYS 24 2HZ LYS 24 -8.475 18.366 -11.947 165 H PHE 25 H PHE 25 -4.475 13.380 -9.081 166 HA PHE 25 HA PHE 25 -1.736 12.345 -8.889 167 HB2 PHE 25 1HB PHE 25 -4.426 10.989 -8.676 168 HB3 PHE 25 2HB PHE 25 -2.906 10.103 -8.749 169 HD1 PHE 25 HD1 PHE 25 -1.276 10.287 -6.915 170 HD2 PHE 25 HD2 PHE 25 -5.122 12.098 -6.692 171 HE1 PHE 25 HE1 PHE 25 -1.021 10.522 -4.479 172 HE2 PHE 25 HE2 PHE 25 -4.873 12.336 -4.256 173 HZ PHE 25 HZ PHE 25 -2.820 11.548 -3.146 174 H LEU 26 H LEU 26 -1.424 10.309 -10.335 175 HA LEU 26 HA LEU 26 -2.436 10.910 -13.037 176 HB2 LEU 26 1HB LEU 26 0.309 9.847 -12.407 177 HB3 LEU 26 2HB LEU 26 -0.305 10.375 -13.973 178 HG LEU 26 HG LEU 26 0.190 12.180 -11.606 179 HD11 LEU 26 1HD1 LEU 26 2.069 11.009 -13.263 180 HD12 LEU 26 2HD1 LEU 26 2.292 12.454 -12.278 181 HD13 LEU 26 3HD1 LEU 26 1.812 12.606 -13.969 182 HD21 LEU 26 3HD2 LEU 26 -1.540 13.088 -12.973 183 HD22 LEU 26 1HD2 LEU 26 -0.651 12.713 -14.449 184 HD23 LEU 26 2HD2 LEU 26 -0.053 13.959 -13.353 185 H CYS 27 H CYS 27 -1.507 8.506 -10.686 186 HA CYS 27 HA CYS 27 -1.780 6.239 -12.383 187 HB2 CYS 27 1HB CYS 27 -2.035 5.043 -10.101 188 HB3 CYS 27 2HB CYS 27 -0.506 5.834 -10.467 189 H CYS 28 H CYS 28 -3.962 7.960 -10.210 190 HA CYS 28 HA CYS 28 -6.184 6.352 -11.289 191 HB2 CYS 28 1HB CYS 28 -7.330 6.985 -9.064 192 HB3 CYS 28 2HB CYS 28 -6.107 5.720 -9.037 193 H GLN 29 H GLN 29 -4.887 9.474 -10.636 194 HA GLN 29 HA GLN 29 -5.575 11.583 -11.141 195 HB2 GLN 29 1HB GLN 29 -7.489 10.148 -12.990 196 HB3 GLN 29 2HB GLN 29 -7.072 11.856 -13.065 197 HG2 GLN 29 1HG GLN 29 -4.871 9.872 -13.215 198 HG3 GLN 29 2HG GLN 29 -5.919 10.067 -14.618 199 HE21 GLN 29 1HE2 GLN 29 -3.390 10.648 -15.031 200 HE22 GLN 29 2HE2 GLN 29 -3.119 12.352 -15.107 201 H GLN 30 H GLN 30 -6.658 10.534 -8.832 202 HA GLN 30 HA GLN 30 -9.493 10.861 -8.735 203 HB2 GLN 30 1HB GLN 30 -7.362 10.625 -6.620 204 HB3 GLN 30 2HB GLN 30 -9.051 10.892 -6.213 205 HG2 GLN 30 1HG GLN 30 -9.668 8.822 -7.317 206 HG3 GLN 30 2HG GLN 30 -7.992 8.562 -7.797 207 HE21 GLN 30 1HE2 GLN 30 -6.441 8.706 -5.844 208 HE22 GLN 30 2HE2 GLN 30 -6.921 7.799 -4.455 209 H SER 31 H SER 31 -10.451 12.438 -7.080 210 HA SER 31 HA SER 31 -9.374 15.104 -7.681 211 HB2 SER 31 1HB SER 31 -11.578 15.960 -7.423 212 HB3 SER 31 2HB SER 31 -11.752 14.470 -8.351 213 HG SER 31 HG SER 31 -13.096 14.998 -6.284 214 H CYS 32 H CYS 32 -8.099 13.672 -5.668 215 HA CYS 32 HA CYS 32 -8.742 15.344 -3.349 216 HB2 CYS 32 1HB CYS 32 -9.609 12.856 -3.252 217 HB3 CYS 32 2HB CYS 32 -7.927 12.505 -2.871 218 H LYS 33 H LYS 33 -6.912 15.077 -1.650 219 HA LYS 33 HA LYS 33 -4.370 15.280 -3.108 220 HB2 LYS 33 1HB LYS 33 -5.084 17.285 -1.869 221 HB3 LYS 33 2HB LYS 33 -5.129 16.349 -0.382 222 HG2 LYS 33 1HG LYS 33 -3.095 17.393 -0.209 223 HG3 LYS 33 2HG LYS 33 -2.634 15.854 -0.941 224 HD2 LYS 33 1HD LYS 33 -1.496 17.355 -2.271 225 HD3 LYS 33 2HD LYS 33 -2.991 17.146 -3.185 226 HE2 LYS 33 1HE LYS 33 -2.641 19.462 -3.142 227 HE3 LYS 33 2HE LYS 33 -3.856 19.174 -1.899 228 HZ1 LYS 33 3HZ LYS 33 -2.498 20.349 -0.599 229 HZ2 LYS 33 1HZ LYS 33 -1.177 20.186 -1.644 230 HZ3 LYS 33 2HZ LYS 33 -1.534 18.960 -0.534 231 H ALA 34 H ALA 34 -5.718 14.039 -0.057 232 HA ALA 34 HA ALA 34 -3.457 12.154 0.079 233 HB1 ALA 34 3HB ALA 34 -5.042 13.547 2.185 234 HB2 ALA 34 1HB ALA 34 -4.330 11.973 2.543 235 HB3 ALA 34 2HB ALA 34 -3.298 13.317 2.052 236 H ALA 35 H ALA 35 -5.593 11.581 -1.619 237 HA ALA 35 HA ALA 35 -7.601 9.991 -0.423 238 HB1 ALA 35 3HB ALA 35 -7.342 8.994 -2.967 239 HB2 ALA 35 1HB ALA 35 -8.342 10.368 -2.495 240 HB3 ALA 35 2HB ALA 35 -6.715 10.635 -3.123 241 HA PRO 36 HA PRO 36 -5.737 6.083 0.282 242 HB2 PRO 36 1HB PRO 36 -7.532 4.322 -0.742 243 HB3 PRO 36 2HB PRO 36 -7.825 5.243 0.738 244 HG2 PRO 36 1HG PRO 36 -8.791 5.773 -2.045 245 HG3 PRO 36 2HG PRO 36 -9.677 5.887 -0.513 246 HD2 PRO 36 1HD PRO 36 -8.675 8.060 -1.781 247 HD3 PRO 36 2HD PRO 36 -8.797 7.958 -0.012 248 H GLY 37 H GLY 37 -4.620 4.306 -0.651 249 HA2 GLY 37 1HA GLY 37 -3.424 4.818 -3.143 250 HA3 GLY 37 2HA GLY 37 -3.311 3.309 -2.250 251 H CYS 38 H CYS 38 -4.877 5.009 -4.821 252 HA CYS 38 HA CYS 38 -7.086 3.688 -5.508 253 HB2 CYS 38 1HB CYS 38 -6.383 3.841 -7.903 254 HB3 CYS 38 2HB CYS 38 -6.147 5.331 -6.997 255 H THR 39 H THR 39 -3.850 2.326 -5.634 256 HA THR 39 HA THR 39 -4.619 -0.098 -6.936 257 HB THR 39 HB THR 39 -2.160 0.393 -5.246 258 HG1 THR 39 HG1 THR 39 -1.189 1.030 -7.180 259 HG21 THR 39 3HG2 THR 39 -2.901 -1.688 -7.290 260 HG22 THR 39 1HG2 THR 39 -2.366 -1.930 -5.628 261 HG23 THR 39 2HG2 THR 39 -1.227 -1.355 -6.845 262 H LEU 40 H LEU 40 -6.513 -0.471 -5.490 263 HA LEU 40 HA LEU 40 -5.778 -1.674 -2.917 264 HB2 LEU 40 1HB LEU 40 -7.499 -0.082 -2.656 265 HB3 LEU 40 2HB LEU 40 -8.379 -0.695 -4.055 266 HG LEU 40 HG LEU 40 -8.699 -2.834 -2.673 267 HD11 LEU 40 1HD1 LEU 40 -7.215 -2.606 -0.892 268 HD12 LEU 40 2HD1 LEU 40 -8.784 -2.231 -0.180 269 HD13 LEU 40 3HD1 LEU 40 -7.672 -0.927 -0.600 270 HD21 LEU 40 3HD2 LEU 40 -10.734 -2.045 -1.859 271 HD22 LEU 40 1HD2 LEU 40 -10.369 -0.948 -3.190 272 HD23 LEU 40 2HD2 LEU 40 -10.089 -0.437 -1.526 273 H TRP 41 H TRP 41 -6.644 -3.736 -2.323 274 HA TRP 41 HA TRP 41 -6.836 -5.539 -4.613 275 HB2 TRP 41 1HB TRP 41 -6.664 -6.348 -1.714 276 HB3 TRP 41 2HB TRP 41 -6.243 -7.297 -3.137 277 HD1 TRP 41 HD1 TRP 41 -4.492 -5.899 -0.443 278 HE1 TRP 41 HE1 TRP 41 -2.125 -5.097 -1.060 279 HE3 TRP 41 HE3 TRP 41 -4.997 -5.713 -5.527 280 HZ2 TRP 41 HZ2 TRP 41 -0.666 -4.467 -3.393 281 HZ3 TRP 41 HZ3 TRP 41 -3.068 -5.000 -6.879 282 HH2 TRP 41 HH2 TRP 41 -0.949 -4.391 -5.832 283 H GLU 42 H GLU 42 -9.096 -4.058 -4.392 284 HA GLU 42 HA GLU 42 -11.098 -5.259 -2.765 285 HB2 GLU 42 1HB GLU 42 -12.679 -3.918 -4.067 286 HB3 GLU 42 2HB GLU 42 -11.300 -2.954 -3.561 287 HG2 GLU 42 1HG GLU 42 -10.351 -3.028 -5.747 288 HG3 GLU 42 2HG GLU 42 -11.551 -4.201 -6.284 289 H ALA 43 H ALA 43 -12.649 -6.763 -3.260 290 HA ALA 43 HA ALA 43 -12.144 -8.349 -5.682 291 HB1 ALA 43 3HB ALA 43 -13.867 -9.375 -3.488 292 HB2 ALA 43 1HB ALA 43 -12.741 -10.232 -4.541 293 HB3 ALA 43 2HB ALA 43 -12.131 -9.261 -3.201 294 H TYR 44 H TYR 44 -13.566 -6.026 -6.089 295 HA TYR 44 HA TYR 44 -15.434 -5.277 -7.150 296 HB2 TYR 44 1HB TYR 44 -15.252 -7.501 -8.322 297 HB3 TYR 44 2HB TYR 44 -16.393 -8.142 -7.144 298 HD1 TYR 44 HD1 TYR 44 -16.289 -4.934 -9.062 299 HD2 TYR 44 HD2 TYR 44 -18.423 -8.507 -8.179 300 HE1 TYR 44 HE1 TYR 44 -18.159 -4.154 -10.456 301 HE2 TYR 44 HE2 TYR 44 -20.299 -7.738 -9.572 302 HH TYR 44 HH TYR 44 -21.085 -5.119 -10.313 303 H SER 45 H SER 45 -15.347 -5.086 -4.394 304 HA SER 45 HA SER 45 -18.134 -5.623 -3.600 305 HB2 SER 45 1HB SER 45 -15.571 -5.594 -2.046 306 HB3 SER 45 2HB SER 45 -17.084 -5.209 -1.225 307 HG SER 45 HG SER 45 -17.055 -7.475 -2.842 308 H GLY 46 H GLY 46 -17.576 -3.407 -5.182 309 HA2 GLY 46 1HA GLY 46 -18.331 -1.272 -3.331 310 HA3 GLY 46 2HA GLY 46 -16.917 -0.998 -4.339 311 HA PRO 47 HA PRO 47 -21.078 -0.050 -6.522 312 HB2 PRO 47 1HB PRO 47 -21.229 2.625 -6.086 313 HB3 PRO 47 2HB PRO 47 -21.977 1.434 -5.016 314 HG2 PRO 47 1HG PRO 47 -19.382 2.893 -4.705 315 HG3 PRO 47 2HG PRO 47 -20.630 2.559 -3.491 316 HD2 PRO 47 1HD PRO 47 -18.355 1.102 -3.683 317 HD3 PRO 47 2HD PRO 47 -19.897 0.400 -3.149 318 H SER 48 H SER 48 -21.300 1.948 -8.153 319 HA SER 48 HA SER 48 -18.797 1.950 -9.671 320 HB2 SER 48 1HB SER 48 -20.732 1.164 -10.898 321 HB3 SER 48 2HB SER 48 -21.634 2.621 -10.486 322 HG SER 48 HG SER 48 -20.309 2.320 -12.627 323 H SER 49 H SER 49 -18.162 3.928 -10.808 324 HA SER 49 HA SER 49 -19.172 6.455 -9.885 325 HB2 SER 49 1HB SER 49 -17.193 7.223 -8.744 326 HB3 SER 49 2HB SER 49 -17.695 5.706 -7.997 327 HG SER 49 HG SER 49 -15.773 5.015 -8.444 328 H GLY 50 H GLY 50 -17.633 8.276 -10.704 329 HA2 GLY 50 1HA GLY 50 -17.556 8.280 -13.435 330 HA3 GLY 50 2HA GLY 50 -16.489 9.265 -12.443 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -18.125 1.477 28.011 2 HA2 GLY 1 1HA GLY 1 -16.637 3.371 27.415 3 HA3 GLY 1 2HA GLY 1 -15.718 2.970 28.858 4 H SER 2 H SER 2 -13.965 2.974 27.185 5 HA SER 2 HA SER 2 -13.785 0.324 25.904 6 HB2 SER 2 1HB SER 2 -13.902 2.158 24.255 7 HB3 SER 2 2HB SER 2 -12.488 2.906 24.995 8 HG SER 2 HG SER 2 -11.276 1.099 24.396 9 H SER 3 H SER 3 -11.894 2.943 27.383 10 HA SER 3 HA SER 3 -9.946 2.947 28.560 11 HB2 SER 3 1HB SER 3 -10.977 0.184 29.197 12 HB3 SER 3 2HB SER 3 -9.499 0.825 29.914 13 HG SER 3 HG SER 3 -11.970 1.223 30.718 14 H GLY 4 H GLY 4 -9.656 2.506 25.837 15 HA2 GLY 4 1HA GLY 4 -7.737 2.120 24.550 16 HA3 GLY 4 2HA GLY 4 -7.112 1.090 25.828 17 H SER 5 H SER 5 -6.696 0.071 23.482 18 HA SER 5 HA SER 5 -8.356 -2.271 23.422 19 HB2 SER 5 1HB SER 5 -9.186 -2.072 21.175 20 HB3 SER 5 2HB SER 5 -9.647 -0.606 22.041 21 HG SER 5 HG SER 5 -8.500 0.507 20.687 22 H SER 6 H SER 6 -7.569 -3.865 21.814 23 HA SER 6 HA SER 6 -4.922 -4.428 22.025 24 HB2 SER 6 1HB SER 6 -6.851 -5.815 20.971 25 HB3 SER 6 2HB SER 6 -6.341 -5.077 19.454 26 HG SER 6 HG SER 6 -4.820 -6.511 19.409 27 H GLY 7 H GLY 7 -3.046 -4.082 20.847 28 HA2 GLY 7 1HA GLY 7 -3.158 -1.754 19.039 29 HA3 GLY 7 2HA GLY 7 -1.769 -2.198 20.022 30 H ASN 8 H ASN 8 -3.651 -3.025 17.173 31 HA ASN 8 HA ASN 8 -1.503 -4.815 16.279 32 HB2 ASN 8 1HB ASN 8 -4.413 -4.607 15.695 33 HB3 ASN 8 2HB ASN 8 -3.367 -5.170 14.394 34 HD21 ASN 8 1HD2 ASN 8 -3.980 -7.261 14.339 35 HD22 ASN 8 2HD2 ASN 8 -3.760 -8.372 15.642 36 HA PRO 9 HA PRO 9 -0.022 -1.945 13.302 37 HB2 PRO 9 1HB PRO 9 0.830 -3.634 11.355 38 HB3 PRO 9 2HB PRO 9 1.675 -3.438 12.895 39 HG2 PRO 9 1HG PRO 9 -0.237 -5.578 12.041 40 HG3 PRO 9 2HG PRO 9 1.289 -5.732 12.931 41 HD2 PRO 9 1HD PRO 9 -1.125 -5.799 14.155 42 HD3 PRO 9 2HD PRO 9 0.323 -5.135 14.938 43 H HIS 10 H HIS 10 -0.744 -0.792 11.578 44 HA HIS 10 HA HIS 10 -3.323 -1.389 10.521 45 HB2 HIS 10 1HB HIS 10 -2.920 0.646 9.111 46 HB3 HIS 10 2HB HIS 10 -2.725 0.914 10.840 47 HD2 HIS 10 HD2 HIS 10 -1.117 3.137 9.680 48 HE1 HIS 10 HE1 HIS 10 2.244 0.588 9.233 49 HE2 HIS 10 HE2 HIS 10 1.445 2.972 9.360 50 H LEU 11 H LEU 11 -3.210 -3.330 9.404 51 HA LEU 11 HA LEU 11 -1.308 -3.653 7.246 52 HB2 LEU 11 1HB LEU 11 -1.850 -5.584 8.574 53 HB3 LEU 11 2HB LEU 11 -3.567 -5.381 8.238 54 HG LEU 11 HG LEU 11 -3.011 -5.830 5.810 55 HD11 LEU 11 1HD1 LEU 11 -0.817 -7.362 5.849 56 HD12 LEU 11 2HD1 LEU 11 -0.351 -6.157 7.049 57 HD13 LEU 11 3HD1 LEU 11 -0.793 -5.652 5.418 58 HD21 LEU 11 3HD2 LEU 11 -2.335 -8.367 6.687 59 HD22 LEU 11 1HD2 LEU 11 -3.966 -7.730 6.471 60 HD23 LEU 11 2HD2 LEU 11 -3.193 -7.656 8.054 61 H LEU 12 H LEU 12 -4.841 -3.406 7.574 62 HA LEU 12 HA LEU 12 -5.403 -3.464 4.813 63 HB2 LEU 12 1HB LEU 12 -6.936 -3.675 6.942 64 HB3 LEU 12 2HB LEU 12 -7.134 -1.941 6.699 65 HG LEU 12 HG LEU 12 -7.725 -3.981 4.563 66 HD11 LEU 12 1HD1 LEU 12 -9.973 -4.021 5.195 67 HD12 LEU 12 2HD1 LEU 12 -9.791 -2.639 6.275 68 HD13 LEU 12 3HD1 LEU 12 -9.095 -4.199 6.714 69 HD21 LEU 12 3HD2 LEU 12 -7.992 -2.193 3.278 70 HD22 LEU 12 1HD2 LEU 12 -7.588 -1.132 4.629 71 HD23 LEU 12 2HD2 LEU 12 -9.263 -1.619 4.361 72 H VAL 13 H VAL 13 -4.115 -2.066 3.657 73 HA VAL 13 HA VAL 13 -4.984 0.664 3.562 74 HB VAL 13 HB VAL 13 -3.373 0.840 5.398 75 HG11 VAL 13 1HG1 VAL 13 -0.963 0.407 3.862 76 HG12 VAL 13 2HG1 VAL 13 -1.425 -0.236 5.439 77 HG13 VAL 13 3HG1 VAL 13 -1.936 -1.060 3.967 78 HG21 VAL 13 3HG2 VAL 13 -1.821 2.112 3.253 79 HG22 VAL 13 1HG2 VAL 13 -3.551 2.455 3.227 80 HG23 VAL 13 2HG2 VAL 13 -2.601 2.823 4.666 81 H LYS 14 H LYS 14 -4.539 1.620 1.613 82 HA LYS 14 HA LYS 14 -3.087 -0.051 -0.331 83 HB2 LYS 14 1HB LYS 14 -5.355 1.901 -0.759 84 HB3 LYS 14 2HB LYS 14 -4.483 1.095 -2.056 85 HG2 LYS 14 1HG LYS 14 -6.379 -0.203 -1.814 86 HG3 LYS 14 2HG LYS 14 -5.177 -1.085 -0.869 87 HD2 LYS 14 1HD LYS 14 -6.052 -0.241 1.179 88 HD3 LYS 14 2HD LYS 14 -7.084 0.914 0.333 89 HE2 LYS 14 1HE LYS 14 -7.379 -2.024 -0.155 90 HE3 LYS 14 2HE LYS 14 -8.112 -1.280 1.264 91 HZ1 LYS 14 3HZ LYS 14 -9.781 -1.153 -0.298 92 HZ2 LYS 14 1HZ LYS 14 -8.724 -0.837 -1.582 93 HZ3 LYS 14 2HZ LYS 14 -9.064 0.372 -0.449 94 H TYR 15 H TYR 15 -2.162 1.236 -2.196 95 HA TYR 15 HA TYR 15 -1.194 3.875 -1.355 96 HB2 TYR 15 1HB TYR 15 1.079 3.355 -1.826 97 HB3 TYR 15 2HB TYR 15 0.481 2.057 -0.798 98 HD1 TYR 15 HD2 TYR 15 -0.003 -0.168 -1.778 99 HD2 TYR 15 HD1 TYR 15 1.801 2.934 -4.063 100 HE1 TYR 15 HE2 TYR 15 0.717 -1.825 -3.446 101 HE2 TYR 15 HE1 TYR 15 2.527 1.286 -5.739 102 HH TYR 15 HH TYR 15 2.984 -1.127 -5.870 103 H HIS 16 H HIS 16 -0.135 5.061 -3.169 104 HA HIS 16 HA HIS 16 -1.571 4.499 -5.670 105 HB2 HIS 16 1HB HIS 16 -0.441 7.045 -4.511 106 HB3 HIS 16 2HB HIS 16 -0.981 6.925 -6.183 107 HD2 HIS 16 HD2 HIS 16 -2.441 7.360 -2.644 108 HE1 HIS 16 HE1 HIS 16 -5.696 7.081 -5.349 109 HE2 HIS 16 HE2 HIS 16 -4.981 7.683 -3.011 110 H SER 17 H SER 17 -0.418 3.537 -7.195 111 HA SER 17 HA SER 17 2.477 3.659 -7.170 112 HB2 SER 17 1HB SER 17 1.187 1.544 -7.642 113 HB3 SER 17 2HB SER 17 0.695 2.262 -9.176 114 HG SER 17 HG SER 17 3.415 2.268 -8.584 115 H GLY 18 H GLY 18 1.383 6.161 -7.639 116 HA2 GLY 18 1HA GLY 18 2.498 6.714 -10.273 117 HA3 GLY 18 2HA GLY 18 0.814 7.160 -10.040 118 H PHE 19 H PHE 19 2.334 9.181 -10.708 119 HA PHE 19 HA PHE 19 3.403 10.483 -8.336 120 HB2 PHE 19 1HB PHE 19 3.274 11.414 -11.212 121 HB3 PHE 19 2HB PHE 19 4.090 12.266 -9.906 122 HD1 PHE 19 HD2 PHE 19 5.681 10.495 -8.507 123 HD2 PHE 19 HD1 PHE 19 4.694 10.347 -12.644 124 HE1 PHE 19 HE2 PHE 19 7.730 9.207 -8.946 125 HE2 PHE 19 HE1 PHE 19 6.741 9.057 -13.090 126 HZ PHE 19 HZ PHE 19 8.263 8.487 -11.240 127 H PHE 20 H PHE 20 2.864 12.994 -8.349 128 HA PHE 20 HA PHE 20 -0.011 13.390 -8.751 129 HB2 PHE 20 1HB PHE 20 0.238 12.702 -6.419 130 HB3 PHE 20 2HB PHE 20 1.456 13.947 -6.164 131 HD1 PHE 20 HD2 PHE 20 0.788 16.351 -6.290 132 HD2 PHE 20 HD1 PHE 20 -2.057 13.185 -6.261 133 HE1 PHE 20 HE2 PHE 20 -0.973 17.945 -5.647 134 HE2 PHE 20 HE1 PHE 20 -3.823 14.774 -5.619 135 HZ PHE 20 HZ PHE 20 -3.282 17.157 -5.311 136 H VAL 21 H VAL 21 -0.128 15.064 -10.090 137 HA VAL 21 HA VAL 21 1.342 17.504 -9.423 138 HB VAL 21 HB VAL 21 2.154 17.875 -11.621 139 HG11 VAL 21 1HG1 VAL 21 3.719 16.083 -11.923 140 HG12 VAL 21 2HG1 VAL 21 3.453 16.303 -10.192 141 HG13 VAL 21 3HG1 VAL 21 2.679 14.964 -11.041 142 HG21 VAL 21 3HG2 VAL 21 0.527 17.202 -13.109 143 HG22 VAL 21 1HG2 VAL 21 1.753 15.956 -13.348 144 HG23 VAL 21 2HG2 VAL 21 0.337 15.620 -12.351 145 H ASP 22 H ASP 22 0.402 19.425 -10.242 146 HA ASP 22 HA ASP 22 -1.320 20.810 -10.776 147 HB2 ASP 22 1HB ASP 22 -1.789 18.482 -12.594 148 HB3 ASP 22 2HB ASP 22 -3.019 19.739 -12.484 149 H GLY 23 H GLY 23 -1.530 19.228 -8.418 150 HA2 GLY 23 1HA GLY 23 -3.063 18.745 -6.780 151 HA3 GLY 23 2HA GLY 23 -4.201 19.711 -7.707 152 H LYS 24 H LYS 24 -2.567 16.639 -8.443 153 HA LYS 24 HA LYS 24 -4.820 15.001 -8.032 154 HB2 LYS 24 1HB LYS 24 -5.358 14.506 -10.418 155 HB3 LYS 24 2HB LYS 24 -5.818 16.125 -9.908 156 HG2 LYS 24 1HG LYS 24 -4.188 17.137 -11.179 157 HG3 LYS 24 2HG LYS 24 -3.176 15.692 -11.223 158 HD2 LYS 24 1HD LYS 24 -5.862 15.565 -12.494 159 HD3 LYS 24 2HD LYS 24 -4.592 16.468 -13.322 160 HE2 LYS 24 1HE LYS 24 -4.213 13.652 -12.335 161 HE3 LYS 24 2HE LYS 24 -4.835 14.020 -13.942 162 HZ1 LYS 24 3HZ LYS 24 -2.713 15.488 -14.071 163 HZ2 LYS 24 1HZ LYS 24 -2.602 13.821 -14.340 164 HZ3 LYS 24 2HZ LYS 24 -2.147 14.469 -12.846 165 H PHE 25 H PHE 25 -4.479 12.789 -8.785 166 HA PHE 25 HA PHE 25 -1.645 12.144 -8.788 167 HB2 PHE 25 1HB PHE 25 -4.170 10.628 -8.286 168 HB3 PHE 25 2HB PHE 25 -2.732 9.732 -8.763 169 HD1 PHE 25 HD1 PHE 25 -0.578 10.232 -7.396 170 HD2 PHE 25 HD2 PHE 25 -4.523 11.108 -6.059 171 HE1 PHE 25 HE1 PHE 25 0.223 10.275 -5.070 172 HE2 PHE 25 HE2 PHE 25 -3.728 11.153 -3.731 173 HZ PHE 25 HZ PHE 25 -1.352 10.737 -3.234 174 H LEU 26 H LEU 26 -0.818 10.452 -10.251 175 HA LEU 26 HA LEU 26 -1.912 10.826 -12.953 176 HB2 LEU 26 1HB LEU 26 0.836 10.270 -11.906 177 HB3 LEU 26 2HB LEU 26 0.420 9.885 -13.575 178 HG LEU 26 HG LEU 26 -0.176 12.281 -13.912 179 HD11 LEU 26 1HD1 LEU 26 1.075 13.721 -12.060 180 HD12 LEU 26 2HD1 LEU 26 0.574 12.368 -11.047 181 HD13 LEU 26 3HD1 LEU 26 -0.633 13.298 -11.936 182 HD21 LEU 26 3HD2 LEU 26 2.478 11.159 -13.464 183 HD22 LEU 26 1HD2 LEU 26 2.429 12.917 -13.324 184 HD23 LEU 26 2HD2 LEU 26 1.868 12.134 -14.802 185 H CYS 27 H CYS 27 -2.069 8.661 -10.531 186 HA CYS 27 HA CYS 27 -1.841 6.284 -12.225 187 HB2 CYS 27 1HB CYS 27 -2.342 5.124 -9.966 188 HB3 CYS 27 2HB CYS 27 -0.766 5.873 -10.192 189 H CYS 28 H CYS 28 -4.168 7.948 -10.128 190 HA CYS 28 HA CYS 28 -6.327 6.560 -11.574 191 HB2 CYS 28 1HB CYS 28 -7.644 6.775 -9.403 192 HB3 CYS 28 2HB CYS 28 -6.353 5.579 -9.419 193 H GLN 29 H GLN 29 -4.965 9.258 -11.799 194 HA GLN 29 HA GLN 29 -5.499 11.487 -11.961 195 HB2 GLN 29 1HB GLN 29 -8.116 10.413 -13.002 196 HB3 GLN 29 2HB GLN 29 -7.289 11.890 -13.480 197 HG2 GLN 29 1HG GLN 29 -6.763 9.078 -14.263 198 HG3 GLN 29 2HG GLN 29 -6.778 10.544 -15.242 199 HE21 GLN 29 1HE2 GLN 29 -5.041 12.133 -13.828 200 HE22 GLN 29 2HE2 GLN 29 -3.454 11.452 -13.892 201 H GLN 30 H GLN 30 -6.044 10.502 -9.370 202 HA GLN 30 HA GLN 30 -8.640 11.283 -8.498 203 HB2 GLN 30 1HB GLN 30 -6.101 10.453 -7.193 204 HB3 GLN 30 2HB GLN 30 -7.259 11.341 -6.212 205 HG2 GLN 30 1HG GLN 30 -8.058 8.923 -7.792 206 HG3 GLN 30 2HG GLN 30 -7.365 8.795 -6.176 207 HE21 GLN 30 1HE2 GLN 30 -9.645 7.729 -6.147 208 HE22 GLN 30 2HE2 GLN 30 -10.912 8.747 -5.563 209 H SER 31 H SER 31 -9.150 13.065 -7.092 210 HA SER 31 HA SER 31 -7.448 15.421 -7.589 211 HB2 SER 31 1HB SER 31 -9.521 16.772 -7.478 212 HB3 SER 31 2HB SER 31 -9.571 15.587 -8.783 213 HG SER 31 HG SER 31 -11.485 15.341 -7.787 214 H CYS 32 H CYS 32 -6.862 13.859 -5.424 215 HA CYS 32 HA CYS 32 -7.353 15.708 -3.254 216 HB2 CYS 32 1HB CYS 32 -8.561 12.992 -3.360 217 HB3 CYS 32 2HB CYS 32 -7.890 13.514 -1.820 218 H LYS 33 H LYS 33 -5.927 15.395 -1.459 219 HA LYS 33 HA LYS 33 -3.396 14.246 -2.262 220 HB2 LYS 33 1HB LYS 33 -4.336 16.064 -0.104 221 HB3 LYS 33 2HB LYS 33 -2.876 15.133 0.205 222 HG2 LYS 33 1HG LYS 33 -1.735 16.131 -1.597 223 HG3 LYS 33 2HG LYS 33 -3.224 16.803 -2.267 224 HD2 LYS 33 1HD LYS 33 -3.351 18.464 -0.650 225 HD3 LYS 33 2HD LYS 33 -2.318 17.582 0.478 226 HE2 LYS 33 1HE LYS 33 -0.374 18.172 -0.648 227 HE3 LYS 33 2HE LYS 33 -1.234 18.530 -2.146 228 HZ1 LYS 33 3HZ LYS 33 -0.367 20.440 -0.619 229 HZ2 LYS 33 1HZ LYS 33 -1.803 20.155 0.229 230 HZ3 LYS 33 2HZ LYS 33 -1.858 20.584 -1.406 231 H ALA 34 H ALA 34 -5.773 13.763 0.327 232 HA ALA 34 HA ALA 34 -4.335 11.394 1.246 233 HB1 ALA 34 3HB ALA 34 -5.033 12.664 3.065 234 HB2 ALA 34 1HB ALA 34 -6.607 13.006 2.347 235 HB3 ALA 34 2HB ALA 34 -6.252 11.394 2.968 236 H ALA 35 H ALA 35 -5.474 11.252 -1.350 237 HA ALA 35 HA ALA 35 -7.989 9.920 -1.302 238 HB1 ALA 35 3HB ALA 35 -6.630 9.151 -3.632 239 HB2 ALA 35 1HB ALA 35 -7.828 10.434 -3.455 240 HB3 ALA 35 2HB ALA 35 -6.111 10.800 -3.283 241 HA PRO 36 HA PRO 36 -6.845 5.822 -0.205 242 HB2 PRO 36 1HB PRO 36 -8.708 4.408 -1.583 243 HB3 PRO 36 2HB PRO 36 -9.093 5.354 -0.141 244 HG2 PRO 36 1HG PRO 36 -9.457 6.066 -3.026 245 HG3 PRO 36 2HG PRO 36 -10.563 6.318 -1.664 246 HD2 PRO 36 1HD PRO 36 -9.003 8.294 -2.660 247 HD3 PRO 36 2HD PRO 36 -9.445 8.201 -0.943 248 H GLY 37 H GLY 37 -5.331 4.429 -0.887 249 HA2 GLY 37 1HA GLY 37 -3.982 4.620 -3.275 250 HA3 GLY 37 2HA GLY 37 -3.999 3.172 -2.279 251 H CYS 38 H CYS 38 -4.745 4.426 -5.273 252 HA CYS 38 HA CYS 38 -7.053 2.941 -5.959 253 HB2 CYS 38 1HB CYS 38 -6.409 3.426 -8.296 254 HB3 CYS 38 2HB CYS 38 -6.349 4.862 -7.280 255 H THR 39 H THR 39 -3.790 2.046 -5.511 256 HA THR 39 HA THR 39 -3.685 -0.173 -7.287 257 HB THR 39 HB THR 39 -2.071 0.348 -4.783 258 HG1 THR 39 HG1 THR 39 -0.500 0.937 -6.538 259 HG21 THR 39 3HG2 THR 39 -0.897 -1.520 -5.184 260 HG22 THR 39 1HG2 THR 39 -0.850 -1.219 -6.920 261 HG23 THR 39 2HG2 THR 39 -2.254 -2.007 -6.199 262 H LEU 40 H LEU 40 -5.002 -1.865 -7.128 263 HA LEU 40 HA LEU 40 -5.364 -3.105 -4.491 264 HB2 LEU 40 1HB LEU 40 -7.444 -2.170 -6.387 265 HB3 LEU 40 2HB LEU 40 -7.728 -3.703 -5.566 266 HG LEU 40 HG LEU 40 -7.226 -1.062 -4.194 267 HD11 LEU 40 1HD1 LEU 40 -9.613 -2.228 -5.324 268 HD12 LEU 40 2HD1 LEU 40 -9.359 -0.627 -4.630 269 HD13 LEU 40 3HD1 LEU 40 -9.773 -1.986 -3.585 270 HD21 LEU 40 3HD2 LEU 40 -8.470 -3.201 -2.672 271 HD22 LEU 40 1HD2 LEU 40 -7.100 -2.167 -2.263 272 HD23 LEU 40 2HD2 LEU 40 -6.849 -3.621 -3.229 273 H TRP 41 H TRP 41 -4.965 -5.223 -4.482 274 HA TRP 41 HA TRP 41 -4.230 -7.248 -5.247 275 HB2 TRP 41 1HB TRP 41 -6.399 -7.047 -7.321 276 HB3 TRP 41 2HB TRP 41 -5.846 -8.467 -6.439 277 HD1 TRP 41 HD1 TRP 41 -8.488 -5.862 -6.395 278 HE1 TRP 41 HE1 TRP 41 -9.880 -6.036 -4.237 279 HE3 TRP 41 HE3 TRP 41 -5.481 -9.035 -3.743 280 HZ2 TRP 41 HZ2 TRP 41 -9.724 -7.345 -1.741 281 HZ3 TRP 41 HZ3 TRP 41 -6.174 -9.698 -1.477 282 HH2 TRP 41 HH2 TRP 41 -8.251 -8.869 -0.498 283 H GLU 42 H GLU 42 -2.578 -5.396 -6.232 284 HA GLU 42 HA GLU 42 -2.255 -6.082 -9.078 285 HB2 GLU 42 1HB GLU 42 -1.295 -3.669 -7.534 286 HB3 GLU 42 2HB GLU 42 -0.820 -4.027 -9.188 287 HG2 GLU 42 1HG GLU 42 -3.703 -3.779 -8.419 288 HG3 GLU 42 2HG GLU 42 -2.724 -2.363 -8.798 289 H ALA 43 H ALA 43 -0.363 -6.953 -9.787 290 HA ALA 43 HA ALA 43 1.772 -7.364 -7.802 291 HB1 ALA 43 3HB ALA 43 2.103 -9.634 -8.640 292 HB2 ALA 43 1HB ALA 43 0.476 -9.422 -7.994 293 HB3 ALA 43 2HB ALA 43 0.739 -9.433 -9.738 294 H TYR 44 H TYR 44 3.883 -7.468 -8.610 295 HA TYR 44 HA TYR 44 4.186 -6.622 -11.417 296 HB2 TYR 44 1HB TYR 44 5.774 -5.733 -9.002 297 HB3 TYR 44 2HB TYR 44 6.196 -5.345 -10.666 298 HD1 TYR 44 HD1 TYR 44 3.780 -4.744 -7.959 299 HD2 TYR 44 HD2 TYR 44 4.986 -3.668 -11.895 300 HE1 TYR 44 HE1 TYR 44 2.323 -2.764 -7.858 301 HE2 TYR 44 HE2 TYR 44 3.534 -1.684 -11.804 302 HH TYR 44 HH TYR 44 2.153 -0.547 -8.932 303 H SER 45 H SER 45 4.966 -8.312 -12.498 304 HA SER 45 HA SER 45 7.442 -9.537 -11.574 305 HB2 SER 45 1HB SER 45 5.675 -10.997 -10.668 306 HB3 SER 45 2HB SER 45 5.003 -11.186 -12.288 307 HG SER 45 HG SER 45 6.459 -12.896 -11.550 308 H GLY 46 H GLY 46 8.745 -9.121 -13.239 309 HA2 GLY 46 1HA GLY 46 8.073 -10.180 -15.852 310 HA3 GLY 46 2HA GLY 46 8.228 -8.430 -15.788 311 HA PRO 47 HA PRO 47 12.558 -10.446 -14.843 312 HB2 PRO 47 1HB PRO 47 12.852 -12.957 -15.831 313 HB3 PRO 47 2HB PRO 47 12.304 -12.632 -14.183 314 HG2 PRO 47 1HG PRO 47 10.696 -13.317 -16.613 315 HG3 PRO 47 2HG PRO 47 10.527 -13.919 -14.955 316 HD2 PRO 47 1HD PRO 47 8.931 -11.983 -15.972 317 HD3 PRO 47 2HD PRO 47 9.384 -12.043 -14.257 318 H SER 48 H SER 48 10.683 -10.189 -17.573 319 HA SER 48 HA SER 48 13.024 -9.708 -19.234 320 HB2 SER 48 1HB SER 48 12.430 -11.154 -20.994 321 HB3 SER 48 2HB SER 48 12.188 -12.130 -19.546 322 HG SER 48 HG SER 48 9.912 -11.117 -19.785 323 H SER 49 H SER 49 12.501 -8.529 -21.214 324 HA SER 49 HA SER 49 9.928 -7.497 -21.737 325 HB2 SER 49 1HB SER 49 10.401 -5.115 -21.051 326 HB3 SER 49 2HB SER 49 10.147 -6.232 -19.710 327 HG SER 49 HG SER 49 12.760 -5.884 -20.607 328 H GLY 50 H GLY 50 10.096 -5.504 -23.233 329 HA2 GLY 50 1HA GLY 50 12.517 -5.808 -24.901 330 HA3 GLY 50 2HA GLY 50 10.906 -5.626 -25.580 Start of MODEL 10 1 H1 GLY 1 H GLY 1 20.600 -13.111 20.654 2 HA2 GLY 1 1HA GLY 1 18.975 -11.992 19.346 3 HA3 GLY 1 2HA GLY 1 19.773 -13.047 18.189 4 H SER 2 H SER 2 16.891 -12.440 20.006 5 HA SER 2 HA SER 2 15.474 -14.381 18.337 6 HB2 SER 2 1HB SER 2 14.244 -15.301 20.211 7 HB3 SER 2 2HB SER 2 15.970 -15.475 20.528 8 HG SER 2 HG SER 2 15.867 -13.940 22.047 9 H SER 3 H SER 3 13.038 -14.095 18.610 10 HA SER 3 HA SER 3 12.204 -11.659 17.760 11 HB2 SER 3 1HB SER 3 10.848 -13.813 17.942 12 HB3 SER 3 2HB SER 3 10.488 -13.329 19.600 13 HG SER 3 HG SER 3 9.478 -11.493 18.814 14 H GLY 4 H GLY 4 12.494 -9.713 18.619 15 HA2 GLY 4 1HA GLY 4 12.130 -9.416 21.538 16 HA3 GLY 4 2HA GLY 4 13.285 -8.474 20.605 17 H SER 5 H SER 5 12.568 -6.756 19.339 18 HA SER 5 HA SER 5 10.344 -5.348 20.323 19 HB2 SER 5 1HB SER 5 12.264 -4.982 18.075 20 HB3 SER 5 2HB SER 5 10.772 -4.043 18.032 21 HG SER 5 HG SER 5 12.444 -2.942 19.137 22 H SER 6 H SER 6 8.321 -4.928 19.464 23 HA SER 6 HA SER 6 7.493 -6.311 17.040 24 HB2 SER 6 1HB SER 6 6.104 -6.787 19.688 25 HB3 SER 6 2HB SER 6 5.607 -7.429 18.123 26 HG SER 6 HG SER 6 6.988 -8.767 19.647 27 H GLY 7 H GLY 7 5.717 -5.397 16.037 28 HA2 GLY 7 1HA GLY 7 3.739 -3.805 16.967 29 HA3 GLY 7 2HA GLY 7 5.100 -2.697 16.864 30 H ASN 8 H ASN 8 3.401 -5.137 14.900 31 HA ASN 8 HA ASN 8 3.538 -3.273 12.636 32 HB2 ASN 8 1HB ASN 8 4.168 -5.014 11.104 33 HB3 ASN 8 2HB ASN 8 5.319 -5.032 12.437 34 HD21 ASN 8 1HD2 ASN 8 3.607 -6.949 10.468 35 HD22 ASN 8 2HD2 ASN 8 3.439 -8.350 11.466 36 HA PRO 9 HA PRO 9 -0.779 -4.757 13.301 37 HB2 PRO 9 1HB PRO 9 -1.915 -2.349 12.776 38 HB3 PRO 9 2HB PRO 9 -1.312 -2.798 14.376 39 HG2 PRO 9 1HG PRO 9 -0.008 -1.129 12.261 40 HG3 PRO 9 2HG PRO 9 -0.085 -0.857 14.011 41 HD2 PRO 9 1HD PRO 9 2.103 -1.887 12.791 42 HD3 PRO 9 2HD PRO 9 1.630 -2.335 14.442 43 H HIS 10 H HIS 10 0.622 -2.732 10.763 44 HA HIS 10 HA HIS 10 -1.002 -4.196 8.798 45 HB2 HIS 10 1HB HIS 10 -1.065 -2.042 7.456 46 HB3 HIS 10 2HB HIS 10 -2.066 -2.074 8.906 47 HD2 HIS 10 HD2 HIS 10 1.702 -0.922 8.405 48 HE1 HIS 10 HE1 HIS 10 -0.442 2.033 10.567 49 HE2 HIS 10 HE2 HIS 10 1.767 1.405 9.531 50 H LEU 11 H LEU 11 -0.084 -3.972 6.547 51 HA LEU 11 HA LEU 11 2.650 -3.256 6.217 52 HB2 LEU 11 1HB LEU 11 3.154 -5.232 7.413 53 HB3 LEU 11 2HB LEU 11 1.936 -6.157 6.539 54 HG LEU 11 HG LEU 11 3.415 -5.719 4.467 55 HD11 LEU 11 1HD1 LEU 11 5.170 -4.838 6.708 56 HD12 LEU 11 2HD1 LEU 11 4.999 -4.179 5.082 57 HD13 LEU 11 3HD1 LEU 11 5.883 -5.683 5.333 58 HD21 LEU 11 3HD2 LEU 11 3.216 -7.789 6.266 59 HD22 LEU 11 1HD2 LEU 11 4.955 -7.506 6.174 60 HD23 LEU 11 2HD2 LEU 11 4.038 -7.849 4.707 61 H LEU 12 H LEU 12 3.215 -3.129 4.079 62 HA LEU 12 HA LEU 12 2.841 -2.866 1.847 63 HB2 LEU 12 1HB LEU 12 1.956 -5.641 2.458 64 HB3 LEU 12 2HB LEU 12 1.645 -4.995 0.848 65 HG LEU 12 HG LEU 12 4.413 -4.822 1.932 66 HD11 LEU 12 1HD1 LEU 12 3.860 -7.092 2.471 67 HD12 LEU 12 2HD1 LEU 12 4.873 -7.087 1.028 68 HD13 LEU 12 3HD1 LEU 12 3.133 -7.340 0.883 69 HD21 LEU 12 3HD2 LEU 12 3.631 -3.854 -0.270 70 HD22 LEU 12 1HD2 LEU 12 3.429 -5.516 -0.825 71 HD23 LEU 12 2HD2 LEU 12 5.024 -4.933 -0.348 72 H VAL 13 H VAL 13 1.004 -1.482 3.297 73 HA VAL 13 HA VAL 13 -1.692 -2.073 2.603 74 HB VAL 13 HB VAL 13 -0.995 -0.644 4.543 75 HG11 VAL 13 1HG1 VAL 13 -0.088 1.431 4.314 76 HG12 VAL 13 2HG1 VAL 13 0.574 0.686 2.858 77 HG13 VAL 13 3HG1 VAL 13 -0.855 1.715 2.751 78 HG21 VAL 13 3HG2 VAL 13 -3.199 -0.293 4.395 79 HG22 VAL 13 1HG2 VAL 13 -2.775 1.248 3.651 80 HG23 VAL 13 2HG2 VAL 13 -3.148 -0.147 2.638 81 H LYS 14 H LYS 14 -3.005 -1.189 1.031 82 HA LYS 14 HA LYS 14 -2.092 -0.828 -1.501 83 HB2 LYS 14 1HB LYS 14 -4.483 0.568 -0.283 84 HB3 LYS 14 2HB LYS 14 -4.206 0.330 -2.004 85 HG2 LYS 14 1HG LYS 14 -4.461 -2.023 -1.804 86 HG3 LYS 14 2HG LYS 14 -4.451 -1.936 -0.042 87 HD2 LYS 14 1HD LYS 14 -6.570 -0.872 0.006 88 HD3 LYS 14 2HD LYS 14 -6.537 -0.576 -1.734 89 HE2 LYS 14 1HE LYS 14 -8.020 -2.408 -1.309 90 HE3 LYS 14 2HE LYS 14 -6.569 -3.040 -2.087 91 HZ1 LYS 14 3HZ LYS 14 -7.677 -3.739 0.409 92 HZ2 LYS 14 1HZ LYS 14 -6.122 -3.119 0.652 93 HZ3 LYS 14 2HZ LYS 14 -6.357 -4.429 -0.393 94 H TYR 15 H TYR 15 -1.047 0.692 -2.624 95 HA TYR 15 HA TYR 15 -0.896 3.410 -1.506 96 HB2 TYR 15 1HB TYR 15 1.416 3.540 -1.788 97 HB3 TYR 15 2HB TYR 15 1.191 1.906 -1.174 98 HD1 TYR 15 HD2 TYR 15 0.769 0.115 -3.147 99 HD2 TYR 15 HD1 TYR 15 2.873 3.790 -3.552 100 HE1 TYR 15 HE2 TYR 15 1.958 -0.788 -5.101 101 HE2 TYR 15 HE1 TYR 15 4.066 2.898 -5.508 102 HH TYR 15 HH TYR 15 3.707 -0.461 -6.505 103 H HIS 16 H HIS 16 0.210 4.889 -3.263 104 HA HIS 16 HA HIS 16 -1.420 4.589 -5.660 105 HB2 HIS 16 1HB HIS 16 0.173 6.887 -4.527 106 HB3 HIS 16 2HB HIS 16 -0.574 6.946 -6.120 107 HD2 HIS 16 HD2 HIS 16 -1.511 7.404 -2.424 108 HE1 HIS 16 HE1 HIS 16 -5.102 7.602 -4.676 109 HE2 HIS 16 HE2 HIS 16 -4.019 8.038 -2.444 110 H SER 17 H SER 17 -0.604 3.664 -7.409 111 HA SER 17 HA SER 17 2.258 3.333 -7.706 112 HB2 SER 17 1HB SER 17 1.739 1.837 -9.505 113 HB3 SER 17 2HB SER 17 0.579 1.515 -8.216 114 HG SER 17 HG SER 17 -0.908 2.852 -9.368 115 H GLY 18 H GLY 18 1.675 5.996 -7.806 116 HA2 GLY 18 1HA GLY 18 2.775 6.737 -10.327 117 HA3 GLY 18 2HA GLY 18 1.071 7.156 -10.244 118 H PHE 19 H PHE 19 2.758 9.185 -10.612 119 HA PHE 19 HA PHE 19 3.491 10.350 -8.056 120 HB2 PHE 19 1HB PHE 19 3.652 11.661 -10.770 121 HB3 PHE 19 2HB PHE 19 4.544 12.085 -9.313 122 HD1 PHE 19 HD2 PHE 19 6.445 10.770 -8.590 123 HD2 PHE 19 HD1 PHE 19 4.306 9.788 -12.135 124 HE1 PHE 19 HE2 PHE 19 8.294 9.309 -9.297 125 HE2 PHE 19 HE1 PHE 19 6.151 8.324 -12.848 126 HZ PHE 19 HZ PHE 19 8.149 8.084 -11.428 127 H PHE 20 H PHE 20 2.953 12.840 -7.944 128 HA PHE 20 HA PHE 20 0.131 13.259 -8.645 129 HB2 PHE 20 1HB PHE 20 0.072 12.564 -6.348 130 HB3 PHE 20 2HB PHE 20 1.391 13.652 -5.928 131 HD1 PHE 20 HD2 PHE 20 1.011 16.044 -5.715 132 HD2 PHE 20 HD1 PHE 20 -2.175 13.369 -6.616 133 HE1 PHE 20 HE2 PHE 20 -0.618 17.794 -5.134 134 HE2 PHE 20 HE1 PHE 20 -3.809 15.115 -6.039 135 HZ PHE 20 HZ PHE 20 -3.031 17.331 -5.295 136 H VAL 21 H VAL 21 0.289 14.874 -10.079 137 HA VAL 21 HA VAL 21 1.755 17.292 -9.250 138 HB VAL 21 HB VAL 21 2.608 17.673 -11.381 139 HG11 VAL 21 1HG1 VAL 21 4.125 16.049 -11.326 140 HG12 VAL 21 2HG1 VAL 21 3.101 15.209 -10.160 141 HG13 VAL 21 3HG1 VAL 21 2.950 14.858 -11.882 142 HG21 VAL 21 3HG2 VAL 21 0.601 15.661 -12.383 143 HG22 VAL 21 1HG2 VAL 21 0.647 17.394 -12.708 144 HG23 VAL 21 2HG2 VAL 21 1.889 16.338 -13.380 145 H ASP 22 H ASP 22 0.982 19.278 -10.368 146 HA ASP 22 HA ASP 22 -0.726 20.773 -10.623 147 HB2 ASP 22 1HB ASP 22 -0.584 19.371 -12.842 148 HB3 ASP 22 2HB ASP 22 -2.152 18.760 -12.321 149 H GLY 23 H GLY 23 -1.001 19.334 -8.281 150 HA2 GLY 23 1HA GLY 23 -2.526 18.754 -6.665 151 HA3 GLY 23 2HA GLY 23 -3.610 19.848 -7.513 152 H LYS 24 H LYS 24 -2.220 16.772 -8.603 153 HA LYS 24 HA LYS 24 -4.609 15.280 -8.199 154 HB2 LYS 24 1HB LYS 24 -5.263 14.969 -10.524 155 HB3 LYS 24 2HB LYS 24 -5.353 16.671 -10.089 156 HG2 LYS 24 1HG LYS 24 -3.538 17.240 -11.392 157 HG3 LYS 24 2HG LYS 24 -2.887 15.600 -11.386 158 HD2 LYS 24 1HD LYS 24 -4.927 14.931 -12.731 159 HD3 LYS 24 2HD LYS 24 -5.251 16.656 -12.923 160 HE2 LYS 24 1HE LYS 24 -2.783 16.752 -13.742 161 HE3 LYS 24 2HE LYS 24 -2.986 15.018 -13.991 162 HZ1 LYS 24 3HZ LYS 24 -4.559 15.347 -15.618 163 HZ2 LYS 24 1HZ LYS 24 -3.519 16.651 -15.901 164 HZ3 LYS 24 2HZ LYS 24 -4.975 16.895 -15.077 165 H PHE 25 H PHE 25 -4.370 13.075 -8.721 166 HA PHE 25 HA PHE 25 -1.613 12.216 -8.845 167 HB2 PHE 25 1HB PHE 25 -4.227 10.756 -8.481 168 HB3 PHE 25 2HB PHE 25 -2.692 9.910 -8.644 169 HD1 PHE 25 HD1 PHE 25 -0.821 10.598 -6.994 170 HD2 PHE 25 HD2 PHE 25 -4.951 11.432 -6.396 171 HE1 PHE 25 HE1 PHE 25 -0.413 10.870 -4.584 172 HE2 PHE 25 HE2 PHE 25 -4.550 11.707 -3.984 173 HZ PHE 25 HZ PHE 25 -2.279 11.426 -3.075 174 H LEU 26 H LEU 26 -0.994 10.386 -10.290 175 HA LEU 26 HA LEU 26 -2.150 10.782 -12.970 176 HB2 LEU 26 1HB LEU 26 0.656 10.070 -12.141 177 HB3 LEU 26 2HB LEU 26 0.081 10.032 -13.807 178 HG LEU 26 HG LEU 26 -0.529 12.550 -13.285 179 HD11 LEU 26 1HD1 LEU 26 1.242 13.552 -11.860 180 HD12 LEU 26 2HD1 LEU 26 1.687 11.927 -11.341 181 HD13 LEU 26 3HD1 LEU 26 0.086 12.563 -10.968 182 HD21 LEU 26 3HD2 LEU 26 2.199 11.461 -13.953 183 HD22 LEU 26 1HD2 LEU 26 1.757 13.161 -14.114 184 HD23 LEU 26 2HD2 LEU 26 0.921 11.937 -15.072 185 H CYS 27 H CYS 27 -1.801 8.592 -10.459 186 HA CYS 27 HA CYS 27 -1.789 6.222 -12.150 187 HB2 CYS 27 1HB CYS 27 -2.014 5.076 -9.844 188 HB3 CYS 27 2HB CYS 27 -0.494 5.879 -10.232 189 H CYS 28 H CYS 28 -3.967 8.026 -10.052 190 HA CYS 28 HA CYS 28 -6.184 6.345 -11.026 191 HB2 CYS 28 1HB CYS 28 -7.304 7.199 -8.819 192 HB3 CYS 28 2HB CYS 28 -6.185 5.841 -8.765 193 H GLN 29 H GLN 29 -4.883 9.496 -10.635 194 HA GLN 29 HA GLN 29 -5.577 11.563 -11.278 195 HB2 GLN 29 1HB GLN 29 -7.590 10.051 -12.950 196 HB3 GLN 29 2HB GLN 29 -7.065 11.712 -13.194 197 HG2 GLN 29 1HG GLN 29 -5.052 9.515 -13.235 198 HG3 GLN 29 2HG GLN 29 -6.080 9.787 -14.640 199 HE21 GLN 29 1HE2 GLN 29 -3.366 10.050 -14.825 200 HE22 GLN 29 2HE2 GLN 29 -2.953 11.710 -15.052 201 H GLN 30 H GLN 30 -6.647 10.590 -8.880 202 HA GLN 30 HA GLN 30 -9.472 11.096 -8.791 203 HB2 GLN 30 1HB GLN 30 -7.369 10.588 -6.702 204 HB3 GLN 30 2HB GLN 30 -9.007 11.047 -6.256 205 HG2 GLN 30 1HG GLN 30 -9.921 9.085 -7.162 206 HG3 GLN 30 2HG GLN 30 -8.442 8.709 -8.045 207 HE21 GLN 30 1HE2 GLN 30 -10.226 7.667 -5.614 208 HE22 GLN 30 2HE2 GLN 30 -9.016 7.030 -4.559 209 H SER 31 H SER 31 -10.211 12.674 -6.947 210 HA SER 31 HA SER 31 -8.899 15.258 -7.474 211 HB2 SER 31 1HB SER 31 -11.155 16.247 -6.931 212 HB3 SER 31 2HB SER 31 -11.116 15.265 -8.395 213 HG SER 31 HG SER 31 -12.450 14.850 -6.024 214 H CYS 32 H CYS 32 -7.671 13.966 -5.540 215 HA CYS 32 HA CYS 32 -8.270 15.542 -3.199 216 HB2 CYS 32 1HB CYS 32 -9.616 13.271 -3.173 217 HB3 CYS 32 2HB CYS 32 -8.065 12.605 -2.675 218 H LYS 33 H LYS 33 -6.562 15.506 -1.630 219 HA LYS 33 HA LYS 33 -3.981 15.047 -2.849 220 HB2 LYS 33 1HB LYS 33 -4.926 16.370 -0.327 221 HB3 LYS 33 2HB LYS 33 -3.224 15.976 -0.534 222 HG2 LYS 33 1HG LYS 33 -3.255 17.290 -2.654 223 HG3 LYS 33 2HG LYS 33 -4.896 17.799 -2.246 224 HD2 LYS 33 1HD LYS 33 -3.618 19.546 -1.422 225 HD3 LYS 33 2HD LYS 33 -3.830 18.532 0.008 226 HE2 LYS 33 1HE LYS 33 -1.618 17.453 -0.613 227 HE3 LYS 33 2HE LYS 33 -1.412 18.770 -1.767 228 HZ1 LYS 33 3HZ LYS 33 -1.311 20.340 -0.065 229 HZ2 LYS 33 1HZ LYS 33 -0.389 19.050 0.524 230 HZ3 LYS 33 2HZ LYS 33 -1.965 19.290 1.089 231 H ALA 34 H ALA 34 -5.655 13.971 0.103 232 HA ALA 34 HA ALA 34 -3.687 11.806 0.367 233 HB1 ALA 34 3HB ALA 34 -3.799 12.977 2.389 234 HB2 ALA 34 1HB ALA 34 -5.557 13.105 2.322 235 HB3 ALA 34 2HB ALA 34 -4.798 11.548 2.659 236 H ALA 35 H ALA 35 -5.715 11.670 -1.643 237 HA ALA 35 HA ALA 35 -8.006 10.266 -0.990 238 HB1 ALA 35 3HB ALA 35 -7.004 9.190 -3.418 239 HB2 ALA 35 1HB ALA 35 -8.262 10.406 -3.187 240 HB3 ALA 35 2HB ALA 35 -6.578 10.901 -3.359 241 HA PRO 36 HA PRO 36 -6.802 6.257 0.330 242 HB2 PRO 36 1HB PRO 36 -8.796 4.731 -0.704 243 HB3 PRO 36 2HB PRO 36 -9.034 5.824 0.665 244 HG2 PRO 36 1HG PRO 36 -9.684 6.241 -2.228 245 HG3 PRO 36 2HG PRO 36 -10.647 6.645 -0.794 246 HD2 PRO 36 1HD PRO 36 -9.192 8.490 -2.139 247 HD3 PRO 36 2HD PRO 36 -9.461 8.578 -0.386 248 H GLY 37 H GLY 37 -5.467 4.663 -0.335 249 HA2 GLY 37 1HA GLY 37 -4.116 4.569 -2.647 250 HA3 GLY 37 2HA GLY 37 -4.489 3.103 -1.752 251 H CYS 38 H CYS 38 -4.427 4.126 -4.732 252 HA CYS 38 HA CYS 38 -7.079 3.378 -5.618 253 HB2 CYS 38 1HB CYS 38 -6.067 3.715 -7.910 254 HB3 CYS 38 2HB CYS 38 -6.046 5.130 -6.863 255 H THR 39 H THR 39 -3.798 2.057 -5.776 256 HA THR 39 HA THR 39 -4.275 -0.165 -7.367 257 HB THR 39 HB THR 39 -2.020 0.545 -6.648 258 HG1 THR 39 HG1 THR 39 -1.258 -1.633 -6.270 259 HG21 THR 39 3HG2 THR 39 -2.434 -0.889 -4.054 260 HG22 THR 39 1HG2 THR 39 -2.859 0.817 -4.193 261 HG23 THR 39 2HG2 THR 39 -1.202 0.293 -4.495 262 H LEU 40 H LEU 40 -5.199 -2.112 -7.072 263 HA LEU 40 HA LEU 40 -6.363 -2.661 -4.427 264 HB2 LEU 40 1HB LEU 40 -7.745 -2.389 -6.644 265 HB3 LEU 40 2HB LEU 40 -7.251 -4.060 -6.906 266 HG LEU 40 HG LEU 40 -9.492 -3.897 -5.928 267 HD11 LEU 40 1HD1 LEU 40 -7.726 -4.997 -3.781 268 HD12 LEU 40 2HD1 LEU 40 -7.745 -5.734 -5.383 269 HD13 LEU 40 3HD1 LEU 40 -9.230 -5.643 -4.438 270 HD21 LEU 40 3HD2 LEU 40 -8.338 -2.959 -3.346 271 HD22 LEU 40 1HD2 LEU 40 -9.987 -2.834 -3.959 272 HD23 LEU 40 2HD2 LEU 40 -8.730 -1.769 -4.589 273 H TRP 41 H TRP 41 -5.929 -4.529 -3.381 274 HA TRP 41 HA TRP 41 -3.665 -5.922 -3.560 275 HB2 TRP 41 1HB TRP 41 -5.789 -6.229 -2.010 276 HB3 TRP 41 2HB TRP 41 -6.099 -7.588 -3.087 277 HD1 TRP 41 HD1 TRP 41 -4.204 -6.687 -0.042 278 HE1 TRP 41 HE1 TRP 41 -2.584 -8.579 0.604 279 HE3 TRP 41 HE3 TRP 41 -4.422 -9.443 -4.342 280 HZ2 TRP 41 HZ2 TRP 41 -1.536 -10.929 -0.557 281 HZ3 TRP 41 HZ3 TRP 41 -3.079 -11.500 -4.493 282 HH2 TRP 41 HH2 TRP 41 -1.666 -12.226 -2.638 283 H GLU 42 H GLU 42 -2.645 -6.924 -5.154 284 HA GLU 42 HA GLU 42 -4.068 -8.845 -6.808 285 HB2 GLU 42 1HB GLU 42 -3.073 -7.862 -8.899 286 HB3 GLU 42 2HB GLU 42 -4.353 -6.906 -8.166 287 HG2 GLU 42 1HG GLU 42 -2.861 -5.294 -7.375 288 HG3 GLU 42 2HG GLU 42 -1.467 -6.350 -7.595 289 H ALA 43 H ALA 43 -2.408 -9.862 -8.414 290 HA ALA 43 HA ALA 43 0.193 -10.134 -7.060 291 HB1 ALA 43 3HB ALA 43 -0.696 -12.133 -6.420 292 HB2 ALA 43 1HB ALA 43 -1.759 -12.237 -7.823 293 HB3 ALA 43 2HB ALA 43 -0.040 -12.599 -7.989 294 H TYR 44 H TYR 44 -1.459 -11.186 -10.046 295 HA TYR 44 HA TYR 44 0.243 -9.730 -11.767 296 HB2 TYR 44 1HB TYR 44 1.383 -11.755 -12.791 297 HB3 TYR 44 2HB TYR 44 1.990 -11.243 -11.220 298 HD1 TYR 44 HD1 TYR 44 -0.697 -13.505 -12.521 299 HD2 TYR 44 HD2 TYR 44 2.488 -12.943 -9.756 300 HE1 TYR 44 HE1 TYR 44 -1.064 -15.774 -11.646 301 HE2 TYR 44 HE2 TYR 44 2.130 -15.211 -8.874 302 HH TYR 44 HH TYR 44 -0.505 -17.256 -10.079 303 H SER 45 H SER 45 0.074 -10.723 -14.104 304 HA SER 45 HA SER 45 -1.413 -10.924 -15.837 305 HB2 SER 45 1HB SER 45 -2.327 -13.103 -16.041 306 HB3 SER 45 2HB SER 45 -0.869 -13.301 -15.069 307 HG SER 45 HG SER 45 -2.607 -12.904 -13.280 308 H GLY 46 H GLY 46 -2.338 -9.068 -13.999 309 HA2 GLY 46 1HA GLY 46 -5.013 -9.571 -13.169 310 HA3 GLY 46 2HA GLY 46 -4.236 -7.997 -13.259 311 HA PRO 47 HA PRO 47 -6.691 -6.928 -16.725 312 HB2 PRO 47 1HB PRO 47 -4.982 -5.399 -18.177 313 HB3 PRO 47 2HB PRO 47 -5.701 -4.857 -16.657 314 HG2 PRO 47 1HG PRO 47 -2.979 -5.995 -17.165 315 HG3 PRO 47 2HG PRO 47 -3.444 -4.621 -16.145 316 HD2 PRO 47 1HD PRO 47 -2.918 -7.076 -15.131 317 HD3 PRO 47 2HD PRO 47 -4.107 -5.977 -14.403 318 H SER 48 H SER 48 -6.918 -7.118 -19.059 319 HA SER 48 HA SER 48 -5.587 -9.505 -20.048 320 HB2 SER 48 1HB SER 48 -7.288 -9.573 -21.735 321 HB3 SER 48 2HB SER 48 -8.084 -9.157 -20.218 322 HG SER 48 HG SER 48 -8.179 -7.823 -22.466 323 H SER 49 H SER 49 -4.953 -9.542 -22.400 324 HA SER 49 HA SER 49 -3.210 -7.261 -22.908 325 HB2 SER 49 1HB SER 49 -3.376 -10.013 -24.151 326 HB3 SER 49 2HB SER 49 -2.255 -8.764 -24.693 327 HG SER 49 HG SER 49 -1.717 -10.456 -22.896 328 H GLY 50 H GLY 50 -4.349 -5.638 -23.836 329 HA2 GLY 50 1HA GLY 50 -6.528 -5.752 -25.495 330 HA3 GLY 50 2HA GLY 50 -5.324 -4.474 -25.564 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -18.999 11.573 7.743 2 HA2 GLY 1 1HA GLY 1 -19.317 12.801 10.414 3 HA3 GLY 1 2HA GLY 1 -18.237 11.448 10.106 4 H SER 2 H SER 2 -16.688 12.969 11.142 5 HA SER 2 HA SER 2 -15.785 15.146 9.425 6 HB2 SER 2 1HB SER 2 -15.122 14.285 12.232 7 HB3 SER 2 2HB SER 2 -14.108 15.446 11.374 8 HG SER 2 HG SER 2 -16.169 16.615 11.013 9 H SER 3 H SER 3 -13.475 15.365 8.935 10 HA SER 3 HA SER 3 -12.355 12.766 8.175 11 HB2 SER 3 1HB SER 3 -12.740 14.827 6.574 12 HB3 SER 3 2HB SER 3 -11.200 15.366 7.244 13 HG SER 3 HG SER 3 -10.292 14.020 5.928 14 H GLY 4 H GLY 4 -11.113 15.910 9.335 15 HA2 GLY 4 1HA GLY 4 -9.377 16.418 10.746 16 HA3 GLY 4 2HA GLY 4 -9.720 14.884 11.533 17 H SER 5 H SER 5 -7.548 14.429 11.906 18 HA SER 5 HA SER 5 -5.660 14.376 9.731 19 HB2 SER 5 1HB SER 5 -4.051 13.658 11.366 20 HB3 SER 5 2HB SER 5 -5.050 14.899 12.120 21 HG SER 5 HG SER 5 -6.324 12.816 12.738 22 H SER 6 H SER 6 -4.364 12.374 9.305 23 HA SER 6 HA SER 6 -6.162 10.043 9.178 24 HB2 SER 6 1HB SER 6 -4.153 11.150 7.250 25 HB3 SER 6 2HB SER 6 -4.494 9.420 7.239 26 HG SER 6 HG SER 6 -6.544 11.365 7.127 27 H GLY 7 H GLY 7 -5.509 8.142 10.011 28 HA2 GLY 7 1HA GLY 7 -2.864 8.096 11.295 29 HA3 GLY 7 2HA GLY 7 -4.238 7.099 11.749 30 H ASN 8 H ASN 8 -4.921 5.441 10.159 31 HA ASN 8 HA ASN 8 -4.496 3.645 8.827 32 HB2 ASN 8 1HB ASN 8 -3.757 5.513 7.241 33 HB3 ASN 8 2HB ASN 8 -2.109 5.125 7.729 34 HD21 ASN 8 1HD2 ASN 8 -1.105 3.420 6.841 35 HD22 ASN 8 2HD2 ASN 8 -1.826 2.347 5.694 36 HA PRO 9 HA PRO 9 -0.948 2.675 11.795 37 HB2 PRO 9 1HB PRO 9 -2.401 1.214 13.564 38 HB3 PRO 9 2HB PRO 9 -2.179 2.960 13.715 39 HG2 PRO 9 1HG PRO 9 -4.504 1.435 12.607 40 HG3 PRO 9 2HG PRO 9 -4.501 2.849 13.678 41 HD2 PRO 9 1HD PRO 9 -4.954 3.040 11.016 42 HD3 PRO 9 2HD PRO 9 -4.148 4.322 11.941 43 H HIS 10 H HIS 10 -2.986 1.206 9.651 44 HA HIS 10 HA HIS 10 -2.633 -1.539 10.176 45 HB2 HIS 10 1HB HIS 10 -2.918 -0.370 7.414 46 HB3 HIS 10 2HB HIS 10 -3.491 -1.927 8.005 47 HD2 HIS 10 HD2 HIS 10 -5.611 0.176 6.644 48 HE1 HIS 10 HE1 HIS 10 -6.963 0.728 10.627 49 HE2 HIS 10 HE2 HIS 10 -7.543 0.937 8.186 50 H LEU 11 H LEU 11 -0.987 -2.900 9.820 51 HA LEU 11 HA LEU 11 1.599 -1.977 9.307 52 HB2 LEU 11 1HB LEU 11 1.324 -3.995 10.513 53 HB3 LEU 11 2HB LEU 11 0.386 -4.724 9.212 54 HG LEU 11 HG LEU 11 2.517 -4.627 7.827 55 HD11 LEU 11 1HD1 LEU 11 3.436 -3.376 10.250 56 HD12 LEU 11 2HD1 LEU 11 4.244 -3.535 8.691 57 HD13 LEU 11 3HD1 LEU 11 4.384 -4.819 9.892 58 HD21 LEU 11 3HD2 LEU 11 1.495 -6.625 9.098 59 HD22 LEU 11 1HD2 LEU 11 2.816 -6.377 10.240 60 HD23 LEU 11 2HD2 LEU 11 3.170 -6.738 8.549 61 H LEU 12 H LEU 12 -0.555 -3.872 7.191 62 HA LEU 12 HA LEU 12 1.111 -3.076 4.904 63 HB2 LEU 12 1HB LEU 12 -0.648 -5.421 5.458 64 HB3 LEU 12 2HB LEU 12 -0.376 -4.923 3.789 65 HG LEU 12 HG LEU 12 1.831 -5.640 5.714 66 HD11 LEU 12 1HD1 LEU 12 0.265 -7.306 3.780 67 HD12 LEU 12 2HD1 LEU 12 0.706 -7.658 5.449 68 HD13 LEU 12 3HD1 LEU 12 1.934 -7.705 4.185 69 HD21 LEU 12 3HD2 LEU 12 2.762 -4.309 4.046 70 HD22 LEU 12 1HD2 LEU 12 1.704 -4.965 2.796 71 HD23 LEU 12 2HD2 LEU 12 3.013 -5.950 3.450 72 H VAL 13 H VAL 13 0.370 -1.382 3.822 73 HA VAL 13 HA VAL 13 -2.530 -1.170 3.360 74 HB VAL 13 HB VAL 13 -1.841 0.497 5.041 75 HG11 VAL 13 1HG1 VAL 13 0.015 1.418 2.856 76 HG12 VAL 13 2HG1 VAL 13 -0.411 2.404 4.255 77 HG13 VAL 13 3HG1 VAL 13 0.441 0.876 4.478 78 HG21 VAL 13 3HG2 VAL 13 -2.873 1.281 2.364 79 HG22 VAL 13 1HG2 VAL 13 -3.677 1.287 3.934 80 HG23 VAL 13 2HG2 VAL 13 -2.521 2.557 3.531 81 H LYS 14 H LYS 14 -3.169 -0.471 1.346 82 HA LYS 14 HA LYS 14 -1.538 -1.029 -0.839 83 HB2 LYS 14 1HB LYS 14 -4.121 0.447 -0.503 84 HB3 LYS 14 2HB LYS 14 -3.314 0.465 -2.065 85 HG2 LYS 14 1HG LYS 14 -4.669 -1.336 -2.350 86 HG3 LYS 14 2HG LYS 14 -3.250 -2.141 -1.678 87 HD2 LYS 14 1HD LYS 14 -5.012 -3.032 -0.442 88 HD3 LYS 14 2HD LYS 14 -4.384 -1.757 0.605 89 HE2 LYS 14 1HE LYS 14 -6.612 -1.195 -1.315 90 HE3 LYS 14 2HE LYS 14 -6.941 -1.955 0.241 91 HZ1 LYS 14 3HZ LYS 14 -7.043 0.126 0.999 92 HZ2 LYS 14 1HZ LYS 14 -6.270 0.776 -0.359 93 HZ3 LYS 14 2HZ LYS 14 -5.353 0.129 0.908 94 H TYR 15 H TYR 15 -1.059 0.585 -2.635 95 HA TYR 15 HA TYR 15 -0.182 3.176 -1.572 96 HB2 TYR 15 1HB TYR 15 1.979 2.921 -2.777 97 HB3 TYR 15 2HB TYR 15 1.783 1.770 -1.461 98 HD1 TYR 15 HD1 TYR 15 1.082 1.995 -5.130 99 HD2 TYR 15 HD2 TYR 15 2.391 -0.414 -1.875 100 HE1 TYR 15 HE1 TYR 15 1.537 0.147 -6.688 101 HE2 TYR 15 HE2 TYR 15 2.851 -2.267 -3.424 102 HH TYR 15 HH TYR 15 2.723 -1.854 -6.875 103 H HIS 16 H HIS 16 0.657 4.581 -3.457 104 HA HIS 16 HA HIS 16 -1.331 4.399 -5.602 105 HB2 HIS 16 1HB HIS 16 0.205 6.645 -4.363 106 HB3 HIS 16 2HB HIS 16 -0.371 6.819 -6.017 107 HD2 HIS 16 HD2 HIS 16 -1.692 7.028 -2.419 108 HE1 HIS 16 HE1 HIS 16 -5.030 7.373 -5.013 109 HE2 HIS 16 HE2 HIS 16 -4.188 7.661 -2.657 110 H SER 17 H SER 17 -0.762 3.790 -7.578 111 HA SER 17 HA SER 17 2.026 3.349 -8.202 112 HB2 SER 17 1HB SER 17 0.139 1.758 -8.810 113 HB3 SER 17 2HB SER 17 -0.334 2.928 -10.041 114 HG SER 17 HG SER 17 1.463 1.050 -10.272 115 H GLY 18 H GLY 18 1.538 6.050 -7.854 116 HA2 GLY 18 1HA GLY 18 2.561 7.111 -10.285 117 HA3 GLY 18 2HA GLY 18 0.871 7.555 -10.083 118 H PHE 19 H PHE 19 2.292 9.670 -10.208 119 HA PHE 19 HA PHE 19 2.926 10.464 -7.442 120 HB2 PHE 19 1HB PHE 19 3.964 11.801 -9.943 121 HB3 PHE 19 2HB PHE 19 4.517 12.036 -8.288 122 HD1 PHE 19 HD2 PHE 19 5.929 10.384 -7.202 123 HD2 PHE 19 HD1 PHE 19 4.656 9.896 -11.234 124 HE1 PHE 19 HE2 PHE 19 7.645 8.651 -7.530 125 HE2 PHE 19 HE1 PHE 19 6.368 8.161 -11.569 126 HZ PHE 19 HZ PHE 19 7.867 7.538 -9.716 127 H PHE 20 H PHE 20 2.428 12.686 -6.861 128 HA PHE 20 HA PHE 20 -0.130 13.497 -7.982 129 HB2 PHE 20 1HB PHE 20 0.299 13.307 -5.491 130 HB3 PHE 20 2HB PHE 20 1.320 14.734 -5.641 131 HD1 PHE 20 HD1 PHE 20 -2.131 13.480 -6.057 132 HD2 PHE 20 HD2 PHE 20 0.391 16.891 -5.712 133 HE1 PHE 20 HE1 PHE 20 -4.113 14.916 -5.804 134 HE2 PHE 20 HE2 PHE 20 -1.587 18.332 -5.458 135 HZ PHE 20 HZ PHE 20 -3.843 17.345 -5.503 136 H VAL 21 H VAL 21 -0.009 14.734 -9.745 137 HA VAL 21 HA VAL 21 1.734 17.103 -9.641 138 HB VAL 21 HB VAL 21 1.290 15.352 -12.064 139 HG11 VAL 21 1HG1 VAL 21 2.934 16.903 -13.134 140 HG12 VAL 21 2HG1 VAL 21 1.367 17.632 -12.776 141 HG13 VAL 21 3HG1 VAL 21 2.754 17.964 -11.738 142 HG21 VAL 21 3HG2 VAL 21 3.917 15.368 -11.816 143 HG22 VAL 21 1HG2 VAL 21 3.523 15.664 -10.122 144 HG23 VAL 21 2HG2 VAL 21 2.920 14.216 -10.928 145 H ASP 22 H ASP 22 0.962 18.947 -10.717 146 HA ASP 22 HA ASP 22 -0.628 20.450 -11.343 147 HB2 ASP 22 1HB ASP 22 -0.615 18.701 -13.294 148 HB3 ASP 22 2HB ASP 22 -2.195 18.256 -12.654 149 H GLY 23 H GLY 23 -0.935 19.333 -8.788 150 HA2 GLY 23 1HA GLY 23 -2.459 19.197 -7.077 151 HA3 GLY 23 2HA GLY 23 -3.507 20.170 -8.101 152 H LYS 24 H LYS 24 -2.300 16.929 -8.802 153 HA LYS 24 HA LYS 24 -4.581 15.511 -7.960 154 HB2 LYS 24 1HB LYS 24 -5.684 15.072 -10.075 155 HB3 LYS 24 2HB LYS 24 -5.664 16.803 -9.766 156 HG2 LYS 24 1HG LYS 24 -4.136 17.221 -11.442 157 HG3 LYS 24 2HG LYS 24 -3.515 15.570 -11.429 158 HD2 LYS 24 1HD LYS 24 -5.575 14.764 -12.439 159 HD3 LYS 24 2HD LYS 24 -6.254 16.393 -12.393 160 HE2 LYS 24 1HE LYS 24 -5.501 16.133 -14.594 161 HE3 LYS 24 2HE LYS 24 -4.240 17.082 -13.806 162 HZ1 LYS 24 3HZ LYS 24 -4.174 14.290 -14.707 163 HZ2 LYS 24 1HZ LYS 24 -3.222 14.736 -13.382 164 HZ3 LYS 24 2HZ LYS 24 -3.006 15.503 -14.874 165 H PHE 25 H PHE 25 -4.392 13.287 -8.308 166 HA PHE 25 HA PHE 25 -1.752 12.338 -8.713 167 HB2 PHE 25 1HB PHE 25 -4.418 11.027 -8.288 168 HB3 PHE 25 2HB PHE 25 -3.020 10.053 -8.730 169 HD1 PHE 25 HD1 PHE 25 -0.910 10.337 -7.264 170 HD2 PHE 25 HD2 PHE 25 -4.817 11.533 -6.071 171 HE1 PHE 25 HE1 PHE 25 -0.203 10.280 -4.908 172 HE2 PHE 25 HE2 PHE 25 -4.116 11.478 -3.713 173 HZ PHE 25 HZ PHE 25 -1.807 10.853 -3.128 174 H LEU 26 H LEU 26 -1.533 10.268 -10.205 175 HA LEU 26 HA LEU 26 -2.592 10.949 -12.866 176 HB2 LEU 26 1HB LEU 26 0.173 9.886 -12.333 177 HB3 LEU 26 2HB LEU 26 -0.485 10.438 -13.872 178 HG LEU 26 HG LEU 26 0.111 12.183 -11.482 179 HD11 LEU 26 1HD1 LEU 26 1.521 12.473 -14.068 180 HD12 LEU 26 2HD1 LEU 26 1.972 11.106 -13.051 181 HD13 LEU 26 3HD1 LEU 26 2.094 12.749 -12.423 182 HD21 LEU 26 3HD2 LEU 26 -0.251 14.006 -13.198 183 HD22 LEU 26 1HD2 LEU 26 -1.697 13.162 -12.644 184 HD23 LEU 26 2HD2 LEU 26 -0.998 12.773 -14.215 185 H CYS 27 H CYS 27 -1.643 8.505 -10.578 186 HA CYS 27 HA CYS 27 -1.906 6.264 -12.308 187 HB2 CYS 27 1HB CYS 27 -2.171 5.029 -10.056 188 HB3 CYS 27 2HB CYS 27 -0.647 5.847 -10.379 189 H CYS 28 H CYS 28 -4.096 7.857 -10.024 190 HA CYS 28 HA CYS 28 -6.325 6.396 -11.279 191 HB2 CYS 28 1HB CYS 28 -7.467 6.634 -9.002 192 HB3 CYS 28 2HB CYS 28 -6.176 5.443 -9.124 193 H GLN 29 H GLN 29 -5.071 9.113 -11.680 194 HA GLN 29 HA GLN 29 -5.670 11.342 -11.756 195 HB2 GLN 29 1HB GLN 29 -8.127 9.950 -12.835 196 HB3 GLN 29 2HB GLN 29 -7.737 11.646 -13.089 197 HG2 GLN 29 1HG GLN 29 -6.087 9.307 -14.019 198 HG3 GLN 29 2HG GLN 29 -7.163 10.276 -15.023 199 HE21 GLN 29 1HE2 GLN 29 -4.222 9.784 -15.084 200 HE22 GLN 29 2HE2 GLN 29 -3.511 11.359 -15.107 201 H GLN 30 H GLN 30 -6.116 10.331 -9.160 202 HA GLN 30 HA GLN 30 -8.735 11.253 -8.319 203 HB2 GLN 30 1HB GLN 30 -6.459 9.827 -7.042 204 HB3 GLN 30 2HB GLN 30 -7.511 10.770 -5.994 205 HG2 GLN 30 1HG GLN 30 -9.399 9.467 -7.282 206 HG3 GLN 30 2HG GLN 30 -8.093 8.316 -7.560 207 HE21 GLN 30 1HE2 GLN 30 -6.911 7.590 -5.624 208 HE22 GLN 30 2HE2 GLN 30 -7.800 7.374 -4.158 209 H SER 31 H SER 31 -9.130 13.320 -7.941 210 HA SER 31 HA SER 31 -6.937 15.171 -7.484 211 HB2 SER 31 1HB SER 31 -8.675 16.920 -7.708 212 HB3 SER 31 2HB SER 31 -8.670 15.814 -9.081 213 HG SER 31 HG SER 31 -10.360 15.341 -6.883 214 H CYS 32 H CYS 32 -7.226 13.414 -5.376 215 HA CYS 32 HA CYS 32 -8.115 15.230 -3.247 216 HB2 CYS 32 1HB CYS 32 -8.876 12.365 -3.663 217 HB3 CYS 32 2HB CYS 32 -8.725 12.984 -2.022 218 H LYS 33 H LYS 33 -6.039 15.836 -2.727 219 HA LYS 33 HA LYS 33 -3.710 14.536 -2.619 220 HB2 LYS 33 1HB LYS 33 -4.154 16.866 -1.792 221 HB3 LYS 33 2HB LYS 33 -4.702 16.165 -0.275 222 HG2 LYS 33 1HG LYS 33 -2.485 15.172 0.054 223 HG3 LYS 33 2HG LYS 33 -1.940 15.912 -1.453 224 HD2 LYS 33 1HD LYS 33 -2.581 18.138 -0.454 225 HD3 LYS 33 2HD LYS 33 -2.801 17.294 1.081 226 HE2 LYS 33 1HE LYS 33 -0.246 17.217 -0.512 227 HE3 LYS 33 2HE LYS 33 -0.562 18.396 0.762 228 HZ1 LYS 33 3HZ LYS 33 -1.077 16.260 2.136 229 HZ2 LYS 33 1HZ LYS 33 0.522 16.767 1.917 230 HZ3 LYS 33 2HZ LYS 33 -0.101 15.505 0.979 231 H ALA 34 H ALA 34 -6.190 14.271 -0.085 232 HA ALA 34 HA ALA 34 -4.729 12.003 1.065 233 HB1 ALA 34 3HB ALA 34 -7.101 13.463 2.214 234 HB2 ALA 34 1HB ALA 34 -6.069 12.293 3.035 235 HB3 ALA 34 2HB ALA 34 -5.419 13.863 2.560 236 H ALA 35 H ALA 35 -5.503 10.906 -1.028 237 HA ALA 35 HA ALA 35 -8.243 9.887 -0.734 238 HB1 ALA 35 3HB ALA 35 -7.901 10.773 -2.903 239 HB2 ALA 35 1HB ALA 35 -6.359 9.933 -3.080 240 HB3 ALA 35 2HB ALA 35 -7.868 9.018 -3.073 241 HA PRO 36 HA PRO 36 -6.908 5.900 0.530 242 HB2 PRO 36 1HB PRO 36 -8.769 4.318 -0.653 243 HB3 PRO 36 2HB PRO 36 -9.130 5.351 0.735 244 HG2 PRO 36 1HG PRO 36 -9.652 5.834 -2.174 245 HG3 PRO 36 2HG PRO 36 -10.705 6.143 -0.782 246 HD2 PRO 36 1HD PRO 36 -9.277 8.100 -1.990 247 HD3 PRO 36 2HD PRO 36 -9.637 8.117 -0.251 248 H GLY 37 H GLY 37 -5.939 3.935 -0.175 249 HA2 GLY 37 1HA GLY 37 -4.303 4.128 -2.421 250 HA3 GLY 37 2HA GLY 37 -4.650 2.636 -1.560 251 H CYS 38 H CYS 38 -4.622 3.853 -4.522 252 HA CYS 38 HA CYS 38 -7.183 2.903 -5.473 253 HB2 CYS 38 1HB CYS 38 -6.337 3.546 -7.699 254 HB3 CYS 38 2HB CYS 38 -6.175 4.856 -6.533 255 H THR 39 H THR 39 -3.787 1.918 -5.705 256 HA THR 39 HA THR 39 -4.245 -0.347 -7.342 257 HB THR 39 HB THR 39 -1.957 0.032 -5.405 258 HG1 THR 39 HG1 THR 39 -0.927 0.966 -7.311 259 HG21 THR 39 3HG2 THR 39 -2.621 -1.959 -7.394 260 HG22 THR 39 1HG2 THR 39 -1.320 -1.953 -6.205 261 HG23 THR 39 2HG2 THR 39 -1.090 -1.169 -7.768 262 H LEU 40 H LEU 40 -6.049 -1.391 -6.362 263 HA LEU 40 HA LEU 40 -5.325 -2.976 -3.987 264 HB2 LEU 40 1HB LEU 40 -7.783 -3.031 -3.491 265 HB3 LEU 40 2HB LEU 40 -6.993 -1.471 -3.268 266 HG LEU 40 HG LEU 40 -7.890 -0.876 -5.583 267 HD11 LEU 40 1HD1 LEU 40 -9.543 -3.327 -5.005 268 HD12 LEU 40 2HD1 LEU 40 -8.469 -3.062 -6.379 269 HD13 LEU 40 3HD1 LEU 40 -9.945 -2.112 -6.218 270 HD21 LEU 40 3HD2 LEU 40 -10.302 -1.189 -4.011 271 HD22 LEU 40 1HD2 LEU 40 -9.433 0.277 -4.468 272 HD23 LEU 40 2HD2 LEU 40 -8.946 -0.625 -3.032 273 H TRP 41 H TRP 41 -5.963 -3.063 -7.226 274 HA TRP 41 HA TRP 41 -7.535 -5.438 -7.400 275 HB2 TRP 41 1HB TRP 41 -6.448 -5.400 -9.807 276 HB3 TRP 41 2HB TRP 41 -7.680 -4.227 -9.353 277 HD1 TRP 41 HD1 TRP 41 -3.938 -4.016 -8.413 278 HE1 TRP 41 HE1 TRP 41 -2.986 -1.841 -9.408 279 HE3 TRP 41 HE3 TRP 41 -8.041 -2.459 -11.034 280 HZ2 TRP 41 HZ2 TRP 41 -3.859 0.257 -11.081 281 HZ3 TRP 41 HZ3 TRP 41 -7.900 -0.356 -12.306 282 HH2 TRP 41 HH2 TRP 41 -5.852 0.972 -12.327 283 H GLU 42 H GLU 42 -6.376 -6.793 -5.892 284 HA GLU 42 HA GLU 42 -3.938 -7.969 -7.058 285 HB2 GLU 42 1HB GLU 42 -4.748 -7.813 -4.149 286 HB3 GLU 42 2HB GLU 42 -3.323 -8.644 -4.758 287 HG2 GLU 42 1HG GLU 42 -3.843 -5.699 -5.074 288 HG3 GLU 42 2HG GLU 42 -2.852 -6.413 -3.804 289 H ALA 43 H ALA 43 -6.449 -8.794 -7.912 290 HA ALA 43 HA ALA 43 -6.714 -11.441 -6.638 291 HB1 ALA 43 3HB ALA 43 -8.790 -10.536 -6.284 292 HB2 ALA 43 1HB ALA 43 -8.745 -9.575 -7.762 293 HB3 ALA 43 2HB ALA 43 -9.041 -11.312 -7.848 294 H TYR 44 H TYR 44 -4.743 -11.017 -8.551 295 HA TYR 44 HA TYR 44 -5.776 -11.968 -11.097 296 HB2 TYR 44 1HB TYR 44 -3.940 -10.224 -10.878 297 HB3 TYR 44 2HB TYR 44 -2.883 -11.530 -10.354 298 HD1 TYR 44 HD1 TYR 44 -4.898 -10.268 -13.186 299 HD2 TYR 44 HD2 TYR 44 -1.920 -13.032 -11.920 300 HE1 TYR 44 HE1 TYR 44 -4.399 -10.799 -15.536 301 HE2 TYR 44 HE2 TYR 44 -1.412 -13.569 -14.266 302 HH TYR 44 HH TYR 44 -2.308 -11.719 -16.811 303 H SER 45 H SER 45 -3.567 -13.069 -8.546 304 HA SER 45 HA SER 45 -3.613 -15.760 -9.719 305 HB2 SER 45 1HB SER 45 -1.668 -16.224 -8.274 306 HB3 SER 45 2HB SER 45 -1.381 -14.827 -9.312 307 HG SER 45 HG SER 45 -1.905 -13.497 -7.523 308 H GLY 46 H GLY 46 -5.626 -16.450 -8.979 309 HA2 GLY 46 1HA GLY 46 -5.802 -17.884 -6.675 310 HA3 GLY 46 2HA GLY 46 -6.322 -16.278 -6.188 311 HA PRO 47 HA PRO 47 -9.511 -17.963 -9.444 312 HB2 PRO 47 1HB PRO 47 -9.451 -20.650 -9.831 313 HB3 PRO 47 2HB PRO 47 -8.526 -19.516 -10.823 314 HG2 PRO 47 1HG PRO 47 -7.620 -21.186 -8.510 315 HG3 PRO 47 2HG PRO 47 -6.807 -20.880 -10.055 316 HD2 PRO 47 1HD PRO 47 -6.136 -19.582 -7.776 317 HD3 PRO 47 2HD PRO 47 -6.015 -18.825 -9.377 318 H SER 48 H SER 48 -11.464 -19.476 -9.202 319 HA SER 48 HA SER 48 -11.824 -20.214 -6.374 320 HB2 SER 48 1HB SER 48 -13.768 -18.750 -8.171 321 HB3 SER 48 2HB SER 48 -14.198 -19.426 -6.602 322 HG SER 48 HG SER 48 -12.635 -18.052 -5.664 323 H SER 49 H SER 49 -11.911 -22.369 -6.384 324 HA SER 49 HA SER 49 -14.069 -23.715 -7.671 325 HB2 SER 49 1HB SER 49 -11.344 -23.846 -8.876 326 HB3 SER 49 2HB SER 49 -12.295 -25.330 -8.825 327 HG SER 49 HG SER 49 -13.690 -24.507 -10.215 328 H GLY 50 H GLY 50 -14.667 -24.801 -5.896 329 HA2 GLY 50 1HA GLY 50 -14.620 -26.431 -4.273 330 HA3 GLY 50 2HA GLY 50 -13.110 -26.994 -4.973 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -10.554 -19.839 7.850 2 HA2 GLY 1 1HA GLY 1 -9.147 -21.905 8.245 3 HA3 GLY 1 2HA GLY 1 -8.971 -21.212 6.639 4 H SER 2 H SER 2 -7.432 -18.973 7.219 5 HA SER 2 HA SER 2 -4.919 -20.237 8.091 6 HB2 SER 2 1HB SER 2 -4.902 -19.616 5.725 7 HB3 SER 2 2HB SER 2 -5.345 -17.959 6.141 8 HG SER 2 HG SER 2 -3.318 -18.078 7.480 9 H SER 3 H SER 3 -6.334 -16.972 7.825 10 HA SER 3 HA SER 3 -5.302 -16.403 10.522 11 HB2 SER 3 1HB SER 3 -5.121 -14.635 8.076 12 HB3 SER 3 2HB SER 3 -4.848 -14.052 9.718 13 HG SER 3 HG SER 3 -3.445 -16.314 8.862 14 H GLY 4 H GLY 4 -6.465 -14.784 11.702 15 HA2 GLY 4 1HA GLY 4 -8.650 -13.327 10.923 16 HA3 GLY 4 2HA GLY 4 -9.294 -14.928 11.255 17 H SER 5 H SER 5 -7.912 -15.744 13.432 18 HA SER 5 HA SER 5 -9.189 -14.347 15.525 19 HB2 SER 5 1HB SER 5 -8.593 -16.773 15.585 20 HB3 SER 5 2HB SER 5 -6.899 -16.314 15.758 21 HG SER 5 HG SER 5 -8.230 -16.761 17.740 22 H SER 6 H SER 6 -5.758 -14.570 14.607 23 HA SER 6 HA SER 6 -4.722 -12.909 16.589 24 HB2 SER 6 1HB SER 6 -2.824 -12.538 14.983 25 HB3 SER 6 2HB SER 6 -3.238 -14.235 15.231 26 HG SER 6 HG SER 6 -4.478 -12.861 13.137 27 H GLY 7 H GLY 7 -3.757 -10.716 16.239 28 HA2 GLY 7 1HA GLY 7 -5.348 -9.045 14.419 29 HA3 GLY 7 2HA GLY 7 -5.325 -8.654 16.132 30 H ASN 8 H ASN 8 -4.137 -7.632 13.352 31 HA ASN 8 HA ASN 8 -1.774 -6.489 14.620 32 HB2 ASN 8 1HB ASN 8 -1.705 -8.044 12.028 33 HB3 ASN 8 2HB ASN 8 -0.417 -6.959 12.547 34 HD21 ASN 8 1HD2 ASN 8 -1.248 -10.075 12.390 35 HD22 ASN 8 2HD2 ASN 8 -0.370 -10.705 13.737 36 HA PRO 9 HA PRO 9 -3.047 -2.836 12.544 37 HB2 PRO 9 1HB PRO 9 -0.667 -1.560 12.249 38 HB3 PRO 9 2HB PRO 9 -1.484 -1.723 13.808 39 HG2 PRO 9 1HG PRO 9 0.772 -3.332 12.674 40 HG3 PRO 9 2HG PRO 9 0.564 -2.702 14.319 41 HD2 PRO 9 1HD PRO 9 0.046 -5.279 13.670 42 HD3 PRO 9 2HD PRO 9 -0.857 -4.411 14.929 43 H HIS 10 H HIS 10 -2.206 -1.356 10.632 44 HA HIS 10 HA HIS 10 -2.474 -2.829 8.268 45 HB2 HIS 10 1HB HIS 10 -1.390 -0.034 8.676 46 HB3 HIS 10 2HB HIS 10 -1.847 -0.716 7.118 47 HD2 HIS 10 HD2 HIS 10 -3.367 1.567 9.548 48 HE1 HIS 10 HE1 HIS 10 -6.663 -0.623 8.016 49 HE2 HIS 10 HE2 HIS 10 -5.933 1.451 9.245 50 H LEU 11 H LEU 11 -0.969 -4.455 8.068 51 HA LEU 11 HA LEU 11 1.802 -4.163 8.464 52 HB2 LEU 11 1HB LEU 11 0.795 -6.337 8.477 53 HB3 LEU 11 2HB LEU 11 0.219 -6.131 6.824 54 HG LEU 11 HG LEU 11 2.600 -6.121 6.072 55 HD11 LEU 11 1HD1 LEU 11 4.347 -6.307 7.472 56 HD12 LEU 11 2HD1 LEU 11 3.494 -7.398 8.562 57 HD13 LEU 11 3HD1 LEU 11 3.219 -5.659 8.663 58 HD21 LEU 11 3HD2 LEU 11 1.177 -8.134 5.981 59 HD22 LEU 11 1HD2 LEU 11 1.752 -8.588 7.585 60 HD23 LEU 11 2HD2 LEU 11 2.880 -8.517 6.232 61 H LEU 12 H LEU 12 0.031 -4.473 5.379 62 HA LEU 12 HA LEU 12 2.229 -3.009 4.080 63 HB2 LEU 12 1HB LEU 12 0.290 -5.063 3.071 64 HB3 LEU 12 2HB LEU 12 1.164 -4.005 1.966 65 HG LEU 12 HG LEU 12 2.717 -5.600 3.948 66 HD11 LEU 12 1HD1 LEU 12 0.866 -6.894 2.423 67 HD12 LEU 12 2HD1 LEU 12 2.371 -7.602 3.010 68 HD13 LEU 12 3HD1 LEU 12 2.287 -6.932 1.380 69 HD21 LEU 12 3HD2 LEU 12 3.493 -3.827 2.133 70 HD22 LEU 12 1HD2 LEU 12 3.442 -5.251 1.093 71 HD23 LEU 12 2HD2 LEU 12 4.462 -5.246 2.532 72 H VAL 13 H VAL 13 1.343 -0.970 4.715 73 HA VAL 13 HA VAL 13 -1.232 -0.059 4.233 74 HB VAL 13 HB VAL 13 -0.205 2.231 4.090 75 HG11 VAL 13 1HG1 VAL 13 -0.778 0.873 6.222 76 HG12 VAL 13 2HG1 VAL 13 0.972 0.764 6.417 77 HG13 VAL 13 3HG1 VAL 13 0.185 2.342 6.371 78 HG21 VAL 13 3HG2 VAL 13 1.885 1.739 3.036 79 HG22 VAL 13 1HG2 VAL 13 2.228 2.360 4.650 80 HG23 VAL 13 2HG2 VAL 13 2.338 0.629 4.330 81 H LYS 14 H LYS 14 -2.331 0.658 2.496 82 HA LYS 14 HA LYS 14 -1.639 -0.086 -0.081 83 HB2 LYS 14 1HB LYS 14 -3.609 1.874 1.037 84 HB3 LYS 14 2HB LYS 14 -3.370 1.784 -0.704 85 HG2 LYS 14 1HG LYS 14 -5.077 0.306 -0.487 86 HG3 LYS 14 2HG LYS 14 -3.719 -0.797 -0.258 87 HD2 LYS 14 1HD LYS 14 -5.210 -1.308 1.483 88 HD3 LYS 14 2HD LYS 14 -3.963 -0.309 2.235 89 HE2 LYS 14 1HE LYS 14 -5.403 1.641 2.085 90 HE3 LYS 14 2HE LYS 14 -6.634 0.692 1.254 91 HZ1 LYS 14 3HZ LYS 14 -7.427 0.005 3.190 92 HZ2 LYS 14 1HZ LYS 14 -6.362 1.059 3.977 93 HZ3 LYS 14 2HZ LYS 14 -5.909 -0.547 3.696 94 H TYR 15 H TYR 15 -1.235 1.295 -1.972 95 HA TYR 15 HA TYR 15 0.140 3.808 -1.429 96 HB2 TYR 15 1HB TYR 15 2.118 3.119 -2.744 97 HB3 TYR 15 2HB TYR 15 1.928 2.166 -1.277 98 HD1 TYR 15 HD2 TYR 15 1.087 -0.173 -1.429 99 HD2 TYR 15 HD1 TYR 15 2.035 2.104 -4.896 100 HE1 TYR 15 HE2 TYR 15 1.167 -2.240 -2.757 101 HE2 TYR 15 HE1 TYR 15 2.117 0.042 -6.235 102 HH TYR 15 HH TYR 15 2.593 -2.711 -5.346 103 H HIS 16 H HIS 16 0.915 4.775 -3.606 104 HA HIS 16 HA HIS 16 -1.225 4.339 -5.583 105 HB2 HIS 16 1HB HIS 16 0.182 6.815 -4.650 106 HB3 HIS 16 2HB HIS 16 -0.507 6.763 -6.270 107 HD2 HIS 16 HD2 HIS 16 -1.596 7.429 -2.684 108 HE1 HIS 16 HE1 HIS 16 -5.141 6.940 -4.965 109 HE2 HIS 16 HE2 HIS 16 -4.162 7.748 -2.789 110 H SER 17 H SER 17 -0.649 3.605 -7.516 111 HA SER 17 HA SER 17 2.134 3.228 -8.150 112 HB2 SER 17 1HB SER 17 1.301 2.053 -10.138 113 HB3 SER 17 2HB SER 17 0.468 1.495 -8.688 114 HG SER 17 HG SER 17 -1.049 3.368 -9.442 115 H GLY 18 H GLY 18 1.633 5.928 -7.942 116 HA2 GLY 18 1HA GLY 18 2.570 6.859 -10.472 117 HA3 GLY 18 2HA GLY 18 0.904 7.343 -10.194 118 H PHE 19 H PHE 19 2.361 9.420 -10.493 119 HA PHE 19 HA PHE 19 3.234 10.302 -7.823 120 HB2 PHE 19 1HB PHE 19 3.969 11.477 -10.511 121 HB3 PHE 19 2HB PHE 19 4.606 11.974 -8.948 122 HD1 PHE 19 HD2 PHE 19 5.559 9.843 -7.553 123 HD2 PHE 19 HD1 PHE 19 5.372 10.208 -11.789 124 HE1 PHE 19 HE2 PHE 19 7.376 8.199 -7.771 125 HE2 PHE 19 HE1 PHE 19 7.189 8.564 -12.015 126 HZ PHE 19 HZ PHE 19 8.194 7.559 -10.004 127 H PHE 20 H PHE 20 2.795 12.559 -7.268 128 HA PHE 20 HA PHE 20 0.125 13.333 -8.186 129 HB2 PHE 20 1HB PHE 20 0.370 13.073 -5.782 130 HB3 PHE 20 2HB PHE 20 1.726 14.195 -5.769 131 HD1 PHE 20 HD2 PHE 20 1.368 16.586 -6.043 132 HD2 PHE 20 HD1 PHE 20 -1.895 13.854 -5.942 133 HE1 PHE 20 HE2 PHE 20 -0.183 18.457 -5.665 134 HE2 PHE 20 HE1 PHE 20 -3.452 15.722 -5.564 135 HZ PHE 20 HZ PHE 20 -2.595 18.027 -5.425 136 H VAL 21 H VAL 21 0.269 14.588 -9.952 137 HA VAL 21 HA VAL 21 1.970 16.988 -9.768 138 HB VAL 21 HB VAL 21 1.438 15.353 -12.254 139 HG11 VAL 21 1HG1 VAL 21 3.030 17.892 -11.902 140 HG12 VAL 21 2HG1 VAL 21 2.916 16.941 -13.385 141 HG13 VAL 21 3HG1 VAL 21 1.485 17.744 -12.738 142 HG21 VAL 21 3HG2 VAL 21 3.372 14.307 -11.895 143 HG22 VAL 21 1HG2 VAL 21 4.206 15.824 -11.561 144 HG23 VAL 21 2HG2 VAL 21 3.349 14.985 -10.267 145 H ASP 22 H ASP 22 1.174 18.868 -10.803 146 HA ASP 22 HA ASP 22 -0.430 20.392 -11.331 147 HB2 ASP 22 1HB ASP 22 -1.277 17.943 -12.799 148 HB3 ASP 22 2HB ASP 22 -2.429 19.271 -12.694 149 H GLY 23 H GLY 23 -0.578 19.369 -8.759 150 HA2 GLY 23 1HA GLY 23 -1.980 19.257 -6.946 151 HA3 GLY 23 2HA GLY 23 -3.105 20.192 -7.921 152 H LYS 24 H LYS 24 -1.951 16.985 -8.762 153 HA LYS 24 HA LYS 24 -4.192 15.583 -7.702 154 HB2 LYS 24 1HB LYS 24 -4.293 16.582 -10.503 155 HB3 LYS 24 2HB LYS 24 -4.860 14.943 -10.210 156 HG2 LYS 24 1HG LYS 24 -6.219 16.116 -8.285 157 HG3 LYS 24 2HG LYS 24 -5.998 17.534 -9.313 158 HD2 LYS 24 1HD LYS 24 -7.004 14.947 -10.445 159 HD3 LYS 24 2HD LYS 24 -8.101 16.079 -9.650 160 HE2 LYS 24 1HE LYS 24 -6.245 17.025 -11.797 161 HE3 LYS 24 2HE LYS 24 -7.752 16.215 -12.221 162 HZ1 LYS 24 3HZ LYS 24 -8.932 17.882 -10.871 163 HZ2 LYS 24 1HZ LYS 24 -8.099 18.573 -12.172 164 HZ3 LYS 24 2HZ LYS 24 -7.470 18.691 -10.606 165 H PHE 25 H PHE 25 -4.308 13.308 -8.751 166 HA PHE 25 HA PHE 25 -1.573 12.318 -8.854 167 HB2 PHE 25 1HB PHE 25 -4.247 10.956 -8.546 168 HB3 PHE 25 2HB PHE 25 -2.745 10.061 -8.749 169 HD1 PHE 25 HD1 PHE 25 -0.872 10.519 -7.059 170 HD2 PHE 25 HD2 PHE 25 -4.931 11.639 -6.440 171 HE1 PHE 25 HE1 PHE 25 -0.459 10.661 -4.637 172 HE2 PHE 25 HE2 PHE 25 -4.525 11.783 -4.017 173 HZ PHE 25 HZ PHE 25 -2.287 11.294 -3.113 174 H LEU 26 H LEU 26 -1.299 10.317 -10.359 175 HA LEU 26 HA LEU 26 -2.413 10.975 -13.006 176 HB2 LEU 26 1HB LEU 26 0.352 9.895 -12.519 177 HB3 LEU 26 2HB LEU 26 -0.320 10.492 -14.034 178 HG LEU 26 HG LEU 26 0.272 12.193 -11.613 179 HD11 LEU 26 1HD1 LEU 26 2.136 11.079 -13.224 180 HD12 LEU 26 2HD1 LEU 26 2.319 12.639 -12.422 181 HD13 LEU 26 3HD1 LEU 26 1.787 12.568 -14.102 182 HD21 LEU 26 3HD2 LEU 26 -0.022 14.041 -13.283 183 HD22 LEU 26 1HD2 LEU 26 -1.499 13.170 -12.869 184 HD23 LEU 26 2HD2 LEU 26 -0.680 12.842 -14.397 185 H CYS 27 H CYS 27 -1.550 8.552 -10.690 186 HA CYS 27 HA CYS 27 -1.853 6.315 -12.461 187 HB2 CYS 27 1HB CYS 27 -1.940 5.039 -10.230 188 HB3 CYS 27 2HB CYS 27 -0.452 5.898 -10.620 189 H CYS 28 H CYS 28 -3.884 7.975 -10.098 190 HA CYS 28 HA CYS 28 -6.170 6.375 -11.047 191 HB2 CYS 28 1HB CYS 28 -7.179 7.059 -8.766 192 HB3 CYS 28 2HB CYS 28 -5.968 5.782 -8.794 193 H GLN 29 H GLN 29 -4.874 9.525 -10.420 194 HA GLN 29 HA GLN 29 -5.591 11.622 -10.925 195 HB2 GLN 29 1HB GLN 29 -7.556 10.170 -12.704 196 HB3 GLN 29 2HB GLN 29 -7.153 11.879 -12.797 197 HG2 GLN 29 1HG GLN 29 -4.950 9.902 -13.021 198 HG3 GLN 29 2HG GLN 29 -6.044 10.098 -14.388 199 HE21 GLN 29 1HE2 GLN 29 -3.541 10.686 -14.899 200 HE22 GLN 29 2HE2 GLN 29 -3.272 12.391 -14.973 201 H GLN 30 H GLN 30 -6.581 10.575 -8.578 202 HA GLN 30 HA GLN 30 -9.433 11.113 -8.472 203 HB2 GLN 30 1HB GLN 30 -7.421 10.194 -6.426 204 HB3 GLN 30 2HB GLN 30 -9.074 10.609 -5.995 205 HG2 GLN 30 1HG GLN 30 -9.964 8.798 -7.105 206 HG3 GLN 30 2HG GLN 30 -8.567 8.630 -8.167 207 HE21 GLN 30 1HE2 GLN 30 -9.974 6.706 -6.400 208 HE22 GLN 30 2HE2 GLN 30 -8.742 6.039 -5.389 209 H SER 31 H SER 31 -10.393 12.848 -7.505 210 HA SER 31 HA SER 31 -8.755 15.207 -7.193 211 HB2 SER 31 1HB SER 31 -11.730 14.715 -7.097 212 HB3 SER 31 2HB SER 31 -11.026 16.288 -6.723 213 HG SER 31 HG SER 31 -10.868 16.617 -8.780 214 H CYS 32 H CYS 32 -7.604 14.210 -5.317 215 HA CYS 32 HA CYS 32 -8.450 15.396 -2.909 216 HB2 CYS 32 1HB CYS 32 -9.952 13.269 -3.170 217 HB3 CYS 32 2HB CYS 32 -8.501 12.406 -2.670 218 H LYS 33 H LYS 33 -6.678 15.804 -1.756 219 HA LYS 33 HA LYS 33 -4.127 15.002 -2.585 220 HB2 LYS 33 1HB LYS 33 -4.702 17.042 -1.222 221 HB3 LYS 33 2HB LYS 33 -4.864 15.986 0.174 222 HG2 LYS 33 1HG LYS 33 -2.613 15.605 0.324 223 HG3 LYS 33 2HG LYS 33 -2.336 15.902 -1.394 224 HD2 LYS 33 1HD LYS 33 -3.024 18.334 -0.837 225 HD3 LYS 33 2HD LYS 33 -2.697 17.874 0.835 226 HE2 LYS 33 1HE LYS 33 -0.433 17.466 0.396 227 HE3 LYS 33 2HE LYS 33 -0.694 17.386 -1.346 228 HZ1 LYS 33 3HZ LYS 33 -1.232 19.889 0.109 229 HZ2 LYS 33 1HZ LYS 33 -0.830 19.665 -1.520 230 HZ3 LYS 33 2HZ LYS 33 0.354 19.490 -0.325 231 H ALA 34 H ALA 34 -6.221 13.779 -0.014 232 HA ALA 34 HA ALA 34 -4.282 11.626 0.495 233 HB1 ALA 34 3HB ALA 34 -4.717 12.635 2.539 234 HB2 ALA 34 1HB ALA 34 -6.428 12.866 2.175 235 HB3 ALA 34 2HB ALA 34 -5.812 11.253 2.540 236 H ALA 35 H ALA 35 -6.029 11.658 -1.814 237 HA ALA 35 HA ALA 35 -8.359 10.249 -1.690 238 HB1 ALA 35 3HB ALA 35 -7.819 10.902 -3.823 239 HB2 ALA 35 1HB ALA 35 -6.159 10.318 -3.699 240 HB3 ALA 35 2HB ALA 35 -7.485 9.173 -3.911 241 HA PRO 36 HA PRO 36 -7.560 6.219 -0.140 242 HB2 PRO 36 1HB PRO 36 -9.388 4.762 -1.520 243 HB3 PRO 36 2HB PRO 36 -9.831 5.873 -0.218 244 HG2 PRO 36 1HG PRO 36 -9.923 6.293 -3.181 245 HG3 PRO 36 2HG PRO 36 -11.117 6.743 -1.948 246 HD2 PRO 36 1HD PRO 36 -9.370 8.523 -3.005 247 HD3 PRO 36 2HD PRO 36 -9.952 8.634 -1.331 248 H GLY 37 H GLY 37 -5.837 5.004 -0.585 249 HA2 GLY 37 1HA GLY 37 -4.351 4.771 -2.789 250 HA3 GLY 37 2HA GLY 37 -4.597 3.395 -1.724 251 H CYS 38 H CYS 38 -4.894 4.507 -4.850 252 HA CYS 38 HA CYS 38 -7.216 3.104 -5.696 253 HB2 CYS 38 1HB CYS 38 -6.397 3.518 -7.967 254 HB3 CYS 38 2HB CYS 38 -6.273 4.973 -6.982 255 H THR 39 H THR 39 -3.826 2.266 -5.396 256 HA THR 39 HA THR 39 -3.625 0.000 -6.933 257 HB THR 39 HB THR 39 -2.446 0.357 -4.170 258 HG1 THR 39 HG1 THR 39 -1.019 0.839 -6.537 259 HG21 THR 39 3HG2 THR 39 -1.964 -1.581 -6.389 260 HG22 THR 39 1HG2 THR 39 -2.004 -1.854 -4.648 261 HG23 THR 39 2HG2 THR 39 -0.607 -1.069 -5.386 262 H LEU 40 H LEU 40 -5.247 0.398 -3.853 263 HA LEU 40 HA LEU 40 -5.566 -2.025 -2.791 264 HB2 LEU 40 1HB LEU 40 -6.860 0.233 -2.419 265 HB3 LEU 40 2HB LEU 40 -8.096 -0.567 -3.386 266 HG LEU 40 HG LEU 40 -6.974 -1.573 -0.771 267 HD11 LEU 40 1HD1 LEU 40 -9.374 0.021 -1.506 268 HD12 LEU 40 2HD1 LEU 40 -8.337 0.125 -0.083 269 HD13 LEU 40 3HD1 LEU 40 -9.517 -1.177 -0.219 270 HD21 LEU 40 3HD2 LEU 40 -9.331 -2.897 -1.315 271 HD22 LEU 40 1HD2 LEU 40 -7.704 -3.555 -1.489 272 HD23 LEU 40 2HD2 LEU 40 -8.521 -2.843 -2.881 273 H TRP 41 H TRP 41 -6.255 -3.996 -3.338 274 HA TRP 41 HA TRP 41 -6.595 -4.949 -5.826 275 HB2 TRP 41 1HB TRP 41 -7.951 -5.840 -3.284 276 HB3 TRP 41 2HB TRP 41 -8.110 -6.734 -4.794 277 HD1 TRP 41 HD1 TRP 41 -6.212 -6.935 -1.779 278 HE1 TRP 41 HE1 TRP 41 -3.953 -8.119 -2.113 279 HE3 TRP 41 HE3 TRP 41 -5.916 -6.694 -6.877 280 HZ2 TRP 41 HZ2 TRP 41 -2.266 -8.854 -4.254 281 HZ3 TRP 41 HZ3 TRP 41 -3.946 -7.661 -7.990 282 HH2 TRP 41 HH2 TRP 41 -2.160 -8.719 -6.705 283 H GLU 42 H GLU 42 -9.441 -4.265 -3.780 284 HA GLU 42 HA GLU 42 -11.136 -4.151 -6.121 285 HB2 GLU 42 1HB GLU 42 -12.953 -3.746 -4.475 286 HB3 GLU 42 2HB GLU 42 -12.031 -5.207 -4.146 287 HG2 GLU 42 1HG GLU 42 -10.795 -4.067 -2.401 288 HG3 GLU 42 2HG GLU 42 -11.648 -2.565 -2.756 289 H ALA 43 H ALA 43 -11.709 -2.376 -7.191 290 HA ALA 43 HA ALA 43 -11.350 0.239 -5.885 291 HB1 ALA 43 3HB ALA 43 -9.563 0.392 -7.281 292 HB2 ALA 43 1HB ALA 43 -10.244 -0.731 -8.459 293 HB3 ALA 43 2HB ALA 43 -10.817 0.936 -8.395 294 H TYR 44 H TYR 44 -13.609 0.232 -5.461 295 HA TYR 44 HA TYR 44 -15.713 -0.258 -7.095 296 HB2 TYR 44 1HB TYR 44 -17.005 1.003 -5.666 297 HB3 TYR 44 2HB TYR 44 -15.568 0.783 -4.673 298 HD1 TYR 44 HD1 TYR 44 -17.481 3.168 -6.710 299 HD2 TYR 44 HD2 TYR 44 -14.114 2.638 -4.162 300 HE1 TYR 44 HE1 TYR 44 -17.256 5.609 -6.507 301 HE2 TYR 44 HE2 TYR 44 -13.882 5.077 -3.951 302 HH TYR 44 HH TYR 44 -16.271 7.236 -4.847 303 H SER 45 H SER 45 -16.188 0.331 -9.094 304 HA SER 45 HA SER 45 -15.012 2.727 -10.237 305 HB2 SER 45 1HB SER 45 -15.088 0.506 -11.447 306 HB3 SER 45 2HB SER 45 -16.830 0.736 -11.604 307 HG SER 45 HG SER 45 -15.656 1.487 -13.439 308 H GLY 46 H GLY 46 -16.541 3.942 -11.834 309 HA2 GLY 46 1HA GLY 46 -18.482 5.150 -12.213 310 HA3 GLY 46 2HA GLY 46 -19.285 4.180 -10.986 311 HA PRO 47 HA PRO 47 -16.980 7.693 -8.590 312 HB2 PRO 47 1HB PRO 47 -15.850 9.653 -10.090 313 HB3 PRO 47 2HB PRO 47 -14.978 8.197 -9.596 314 HG2 PRO 47 1HG PRO 47 -16.298 8.818 -12.210 315 HG3 PRO 47 2HG PRO 47 -14.726 8.057 -11.904 316 HD2 PRO 47 1HD PRO 47 -16.935 6.630 -12.548 317 HD3 PRO 47 2HD PRO 47 -15.665 5.995 -11.482 318 H SER 48 H SER 48 -17.632 9.891 -8.043 319 HA SER 48 HA SER 48 -19.691 11.075 -9.746 320 HB2 SER 48 1HB SER 48 -20.769 9.469 -8.099 321 HB3 SER 48 2HB SER 48 -20.221 10.550 -6.818 322 HG SER 48 HG SER 48 -21.622 11.670 -8.955 323 H SER 49 H SER 49 -19.865 13.268 -9.565 324 HA SER 49 HA SER 49 -17.692 14.722 -8.585 325 HB2 SER 49 1HB SER 49 -19.186 16.730 -8.924 326 HB3 SER 49 2HB SER 49 -19.048 15.667 -10.325 327 HG SER 49 HG SER 49 -21.074 14.977 -10.027 328 H GLY 50 H GLY 50 -17.286 14.222 -6.432 329 HA2 GLY 50 1HA GLY 50 -19.075 14.157 -4.324 330 HA3 GLY 50 2HA GLY 50 -17.381 14.605 -4.169 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -8.788 -13.493 28.397 2 HA2 GLY 1 1HA GLY 1 -8.449 -15.274 26.197 3 HA3 GLY 1 2HA GLY 1 -9.163 -13.756 25.674 4 H SER 2 H SER 2 -6.909 -14.176 24.493 5 HA SER 2 HA SER 2 -4.990 -12.452 25.899 6 HB2 SER 2 1HB SER 2 -4.317 -14.900 25.965 7 HB3 SER 2 2HB SER 2 -4.141 -14.810 24.212 8 HG SER 2 HG SER 2 -2.758 -13.227 26.121 9 H SER 3 H SER 3 -3.258 -11.663 24.300 10 HA SER 3 HA SER 3 -4.406 -11.227 21.632 11 HB2 SER 3 1HB SER 3 -4.837 -9.289 23.267 12 HB3 SER 3 2HB SER 3 -3.104 -8.983 23.168 13 HG SER 3 HG SER 3 -3.302 -8.500 21.041 14 H GLY 4 H GLY 4 -2.766 -10.233 20.121 15 HA2 GLY 4 1HA GLY 4 -0.071 -10.056 20.469 16 HA3 GLY 4 2HA GLY 4 -0.345 -11.781 20.280 17 H SER 5 H SER 5 -0.263 -8.700 18.708 18 HA SER 5 HA SER 5 -0.809 -10.009 16.125 19 HB2 SER 5 1HB SER 5 -1.097 -7.099 16.911 20 HB3 SER 5 2HB SER 5 -1.337 -7.726 15.279 21 HG SER 5 HG SER 5 -3.156 -7.529 17.075 22 H SER 6 H SER 6 0.967 -10.443 15.015 23 HA SER 6 HA SER 6 3.202 -8.524 15.130 24 HB2 SER 6 1HB SER 6 4.728 -10.474 14.787 25 HB3 SER 6 2HB SER 6 3.862 -10.527 16.323 26 HG SER 6 HG SER 6 2.286 -11.810 14.831 27 H GLY 7 H GLY 7 3.817 -7.705 13.235 28 HA2 GLY 7 1HA GLY 7 4.378 -8.653 10.864 29 HA3 GLY 7 2HA GLY 7 2.631 -8.832 10.800 30 H ASN 8 H ASN 8 1.315 -6.974 10.736 31 HA ASN 8 HA ASN 8 2.753 -4.477 10.126 32 HB2 ASN 8 1HB ASN 8 0.252 -5.490 8.756 33 HB3 ASN 8 2HB ASN 8 1.091 -3.982 8.403 34 HD21 ASN 8 1HD2 ASN 8 1.327 -7.476 8.290 35 HD22 ASN 8 2HD2 ASN 8 2.527 -7.543 7.048 36 HA PRO 9 HA PRO 9 0.205 -2.588 13.176 37 HB2 PRO 9 1HB PRO 9 0.306 -0.018 12.309 38 HB3 PRO 9 2HB PRO 9 1.671 -0.820 13.094 39 HG2 PRO 9 1HG PRO 9 1.163 -0.364 10.180 40 HG3 PRO 9 2HG PRO 9 2.671 -0.183 11.095 41 HD2 PRO 9 1HD PRO 9 2.142 -2.359 9.571 42 HD3 PRO 9 2HD PRO 9 3.113 -2.445 11.055 43 H HIS 10 H HIS 10 -0.623 -2.726 9.878 44 HA HIS 10 HA HIS 10 -3.396 -2.691 10.378 45 HB2 HIS 10 1HB HIS 10 -2.598 -0.173 10.462 46 HB3 HIS 10 2HB HIS 10 -2.660 -0.325 8.708 47 HD2 HIS 10 HD2 HIS 10 -4.815 1.687 9.561 48 HE1 HIS 10 HE1 HIS 10 -7.590 -1.511 9.830 49 HE2 HIS 10 HE2 HIS 10 -7.303 0.981 9.593 50 H LEU 11 H LEU 11 -4.653 -3.124 8.485 51 HA LEU 11 HA LEU 11 -3.089 -4.424 6.412 52 HB2 LEU 11 1HB LEU 11 -4.854 -5.748 7.194 53 HB3 LEU 11 2HB LEU 11 -5.993 -4.404 7.154 54 HG LEU 11 HG LEU 11 -5.826 -4.486 4.639 55 HD11 LEU 11 1HD1 LEU 11 -3.912 -6.559 5.336 56 HD12 LEU 11 2HD1 LEU 11 -4.153 -5.702 3.813 57 HD13 LEU 11 3HD1 LEU 11 -5.138 -7.113 4.196 58 HD21 LEU 11 3HD2 LEU 11 -7.397 -6.296 4.439 59 HD22 LEU 11 1HD2 LEU 11 -7.700 -5.440 5.950 60 HD23 LEU 11 2HD2 LEU 11 -6.856 -6.988 5.969 61 H LEU 12 H LEU 12 -5.698 -2.007 6.583 62 HA LEU 12 HA LEU 12 -5.637 -1.374 3.824 63 HB2 LEU 12 1HB LEU 12 -7.396 -0.880 5.729 64 HB3 LEU 12 2HB LEU 12 -6.505 0.637 5.840 65 HG LEU 12 HG LEU 12 -7.748 -0.372 3.288 66 HD11 LEU 12 1HD1 LEU 12 -9.733 0.144 4.140 67 HD12 LEU 12 2HD1 LEU 12 -9.192 1.821 4.210 68 HD13 LEU 12 3HD1 LEU 12 -9.005 0.775 5.618 69 HD21 LEU 12 3HD2 LEU 12 -5.827 1.385 3.399 70 HD22 LEU 12 1HD2 LEU 12 -7.106 2.469 3.949 71 HD23 LEU 12 2HD2 LEU 12 -7.234 1.681 2.376 72 H VAL 13 H VAL 13 -3.221 -1.258 3.721 73 HA VAL 13 HA VAL 13 -2.371 1.530 4.123 74 HB VAL 13 HB VAL 13 -0.584 -0.862 4.574 75 HG11 VAL 13 1HG1 VAL 13 0.079 1.722 3.889 76 HG12 VAL 13 2HG1 VAL 13 0.242 1.712 5.647 77 HG13 VAL 13 3HG1 VAL 13 1.141 0.551 4.670 78 HG21 VAL 13 3HG2 VAL 13 -1.153 0.912 6.835 79 HG22 VAL 13 1HG2 VAL 13 -2.540 -0.024 6.277 80 HG23 VAL 13 2HG2 VAL 13 -1.060 -0.848 6.768 81 H LYS 14 H LYS 14 -3.418 0.632 1.753 82 HA LYS 14 HA LYS 14 -1.522 -0.392 -0.071 83 HB2 LYS 14 1HB LYS 14 -4.140 1.031 -0.312 84 HB3 LYS 14 2HB LYS 14 -3.138 0.854 -1.747 85 HG2 LYS 14 1HG LYS 14 -4.463 -1.006 -1.896 86 HG3 LYS 14 2HG LYS 14 -3.065 -1.656 -1.036 87 HD2 LYS 14 1HD LYS 14 -4.425 -0.971 1.090 88 HD3 LYS 14 2HD LYS 14 -5.801 -1.024 -0.015 89 HE2 LYS 14 1HE LYS 14 -5.562 -3.298 -0.401 90 HE3 LYS 14 2HE LYS 14 -3.873 -3.308 0.100 91 HZ1 LYS 14 3HZ LYS 14 -5.979 -2.668 2.054 92 HZ2 LYS 14 1HZ LYS 14 -4.439 -3.318 2.317 93 HZ3 LYS 14 2HZ LYS 14 -5.663 -4.283 1.659 94 H TYR 15 H TYR 15 -1.132 1.068 -2.173 95 HA TYR 15 HA TYR 15 -0.218 3.731 -1.376 96 HB2 TYR 15 1HB TYR 15 1.989 3.363 -2.384 97 HB3 TYR 15 2HB TYR 15 1.709 2.251 -1.048 98 HD1 TYR 15 HD1 TYR 15 1.421 2.440 -4.765 99 HD2 TYR 15 HD2 TYR 15 2.113 -0.012 -1.357 100 HE1 TYR 15 HE1 TYR 15 1.944 0.546 -6.242 101 HE2 TYR 15 HE2 TYR 15 2.639 -1.913 -2.826 102 HH TYR 15 HH TYR 15 2.110 -2.629 -5.171 103 H HIS 16 H HIS 16 0.310 5.113 -3.204 104 HA HIS 16 HA HIS 16 -1.444 4.557 -5.459 105 HB2 HIS 16 1HB HIS 16 -0.043 7.020 -4.452 106 HB3 HIS 16 2HB HIS 16 -0.748 6.976 -6.065 107 HD2 HIS 16 HD2 HIS 16 -1.834 7.377 -2.389 108 HE1 HIS 16 HE1 HIS 16 -5.345 7.341 -4.770 109 HE2 HIS 16 HE2 HIS 16 -4.377 7.836 -2.499 110 H SER 17 H SER 17 -0.748 3.861 -7.366 111 HA SER 17 HA SER 17 2.082 3.514 -7.824 112 HB2 SER 17 1HB SER 17 0.459 1.751 -8.440 113 HB3 SER 17 2HB SER 17 -0.263 2.845 -9.620 114 HG SER 17 HG SER 17 1.610 1.215 -10.140 115 H GLY 18 H GLY 18 1.413 6.217 -7.668 116 HA2 GLY 18 1HA GLY 18 2.469 7.140 -10.178 117 HA3 GLY 18 2HA GLY 18 0.797 7.620 -9.926 118 H PHE 19 H PHE 19 2.174 9.723 -10.184 119 HA PHE 19 HA PHE 19 2.943 10.616 -7.482 120 HB2 PHE 19 1HB PHE 19 3.963 11.687 -10.121 121 HB3 PHE 19 2HB PHE 19 4.474 12.206 -8.518 122 HD1 PHE 19 HD2 PHE 19 5.752 10.640 -7.072 123 HD2 PHE 19 HD1 PHE 19 4.886 9.775 -11.149 124 HE1 PHE 19 HE2 PHE 19 7.520 8.927 -7.080 125 HE2 PHE 19 HE1 PHE 19 6.651 8.061 -11.163 126 HZ PHE 19 HZ PHE 19 7.972 7.636 -9.128 127 H PHE 20 H PHE 20 2.590 12.943 -7.075 128 HA PHE 20 HA PHE 20 -0.022 13.728 -8.099 129 HB2 PHE 20 1HB PHE 20 0.618 13.709 -5.616 130 HB3 PHE 20 2HB PHE 20 1.554 15.159 -5.967 131 HD1 PHE 20 HD1 PHE 20 -1.878 13.785 -6.453 132 HD2 PHE 20 HD2 PHE 20 0.543 17.204 -5.702 133 HE1 PHE 20 HE1 PHE 20 -3.904 15.153 -6.171 134 HE2 PHE 20 HE2 PHE 20 -1.479 18.577 -5.419 135 HZ PHE 20 HZ PHE 20 -3.706 17.552 -5.654 136 H VAL 21 H VAL 21 0.266 14.623 -10.090 137 HA VAL 21 HA VAL 21 2.009 16.998 -10.226 138 HB VAL 21 HB VAL 21 1.308 15.120 -12.487 139 HG11 VAL 21 1HG1 VAL 21 3.304 17.364 -12.556 140 HG12 VAL 21 2HG1 VAL 21 2.617 16.457 -13.905 141 HG13 VAL 21 3HG1 VAL 21 1.614 17.596 -13.006 142 HG21 VAL 21 3HG2 VAL 21 2.974 13.883 -11.652 143 HG22 VAL 21 1HG2 VAL 21 4.047 15.164 -12.215 144 HG23 VAL 21 2HG2 VAL 21 3.480 15.159 -10.545 145 H ASP 22 H ASP 22 1.217 18.828 -11.229 146 HA ASP 22 HA ASP 22 -0.343 20.356 -11.868 147 HB2 ASP 22 1HB ASP 22 -1.315 17.866 -13.231 148 HB3 ASP 22 2HB ASP 22 -2.262 19.347 -13.320 149 H GLY 23 H GLY 23 -0.598 19.514 -9.275 150 HA2 GLY 23 1HA GLY 23 -2.064 19.440 -7.509 151 HA3 GLY 23 2HA GLY 23 -3.128 20.376 -8.548 152 H LYS 24 H LYS 24 -2.002 17.083 -9.122 153 HA LYS 24 HA LYS 24 -4.352 15.807 -8.163 154 HB2 LYS 24 1HB LYS 24 -4.214 16.575 -11.049 155 HB3 LYS 24 2HB LYS 24 -4.956 15.041 -10.613 156 HG2 LYS 24 1HG LYS 24 -6.268 16.573 -8.905 157 HG3 LYS 24 2HG LYS 24 -5.876 17.814 -10.098 158 HD2 LYS 24 1HD LYS 24 -6.992 15.225 -11.057 159 HD3 LYS 24 2HD LYS 24 -8.084 16.373 -10.278 160 HE2 LYS 24 1HE LYS 24 -6.245 17.171 -12.517 161 HE3 LYS 24 2HE LYS 24 -7.855 16.516 -12.813 162 HZ1 LYS 24 3HZ LYS 24 -8.638 18.348 -11.248 163 HZ2 LYS 24 1HZ LYS 24 -8.150 18.808 -12.802 164 HZ3 LYS 24 2HZ LYS 24 -7.116 19.049 -11.485 165 H PHE 25 H PHE 25 -4.446 13.478 -8.944 166 HA PHE 25 HA PHE 25 -1.745 12.420 -8.882 167 HB2 PHE 25 1HB PHE 25 -4.483 11.247 -8.514 168 HB3 PHE 25 2HB PHE 25 -3.103 10.194 -8.807 169 HD1 PHE 25 HD1 PHE 25 -0.964 10.990 -7.289 170 HD2 PHE 25 HD2 PHE 25 -5.083 11.439 -6.321 171 HE1 PHE 25 HE1 PHE 25 -0.389 11.077 -4.898 172 HE2 PHE 25 HE2 PHE 25 -4.516 11.527 -3.929 173 HZ PHE 25 HZ PHE 25 -2.165 11.347 -3.215 174 H LEU 26 H LEU 26 -1.393 10.359 -10.245 175 HA LEU 26 HA LEU 26 -2.375 10.835 -12.982 176 HB2 LEU 26 1HB LEU 26 0.367 9.826 -12.256 177 HB3 LEU 26 2HB LEU 26 -0.224 10.253 -13.860 178 HG LEU 26 HG LEU 26 0.319 12.157 -11.584 179 HD11 LEU 26 1HD1 LEU 26 2.396 11.591 -12.449 180 HD12 LEU 26 2HD1 LEU 26 1.961 13.030 -13.370 181 HD13 LEU 26 3HD1 LEU 26 1.780 11.432 -14.094 182 HD21 LEU 26 3HD2 LEU 26 -1.524 13.039 -12.775 183 HD22 LEU 26 1HD2 LEU 26 -0.829 12.587 -14.332 184 HD23 LEU 26 2HD2 LEU 26 -0.099 13.881 -13.384 185 H CYS 27 H CYS 27 -1.970 8.651 -10.419 186 HA CYS 27 HA CYS 27 -2.027 6.256 -12.037 187 HB2 CYS 27 1HB CYS 27 -2.383 5.173 -9.728 188 HB3 CYS 27 2HB CYS 27 -0.840 5.965 -10.034 189 H CYS 28 H CYS 28 -4.256 8.017 -9.915 190 HA CYS 28 HA CYS 28 -6.478 6.570 -11.195 191 HB2 CYS 28 1HB CYS 28 -7.674 6.880 -8.943 192 HB3 CYS 28 2HB CYS 28 -6.438 5.630 -9.041 193 H GLN 29 H GLN 29 -5.121 9.284 -11.505 194 HA GLN 29 HA GLN 29 -5.684 11.527 -11.581 195 HB2 GLN 29 1HB GLN 29 -7.864 10.009 -12.985 196 HB3 GLN 29 2HB GLN 29 -7.860 11.767 -12.956 197 HG2 GLN 29 1HG GLN 29 -6.836 11.169 -14.974 198 HG3 GLN 29 2HG GLN 29 -5.520 11.645 -13.903 199 HE21 GLN 29 1HE2 GLN 29 -4.128 10.446 -15.297 200 HE22 GLN 29 2HE2 GLN 29 -4.016 8.729 -15.154 201 H GLN 30 H GLN 30 -6.239 10.682 -9.036 202 HA GLN 30 HA GLN 30 -8.938 11.620 -8.412 203 HB2 GLN 30 1HB GLN 30 -6.841 10.122 -6.876 204 HB3 GLN 30 2HB GLN 30 -8.148 10.937 -6.028 205 HG2 GLN 30 1HG GLN 30 -9.638 9.617 -7.747 206 HG3 GLN 30 2HG GLN 30 -8.228 8.559 -7.803 207 HE21 GLN 30 1HE2 GLN 30 -7.425 7.776 -5.704 208 HE22 GLN 30 2HE2 GLN 30 -8.579 7.418 -4.469 209 H SER 31 H SER 31 -9.329 13.596 -7.659 210 HA SER 31 HA SER 31 -7.255 15.524 -7.451 211 HB2 SER 31 1HB SER 31 -9.384 16.304 -8.176 212 HB3 SER 31 2HB SER 31 -10.198 15.599 -6.779 213 HG SER 31 HG SER 31 -9.987 17.703 -6.267 214 H CYS 32 H CYS 32 -9.117 13.678 -5.106 215 HA CYS 32 HA CYS 32 -8.559 14.982 -2.759 216 HB2 CYS 32 1HB CYS 32 -9.837 12.722 -3.290 217 HB3 CYS 32 2HB CYS 32 -8.311 12.007 -2.780 218 H LYS 33 H LYS 33 -6.970 14.630 -1.096 219 HA LYS 33 HA LYS 33 -4.299 14.270 -2.225 220 HB2 LYS 33 1HB LYS 33 -4.895 16.306 -0.871 221 HB3 LYS 33 2HB LYS 33 -5.045 15.255 0.532 222 HG2 LYS 33 1HG LYS 33 -2.736 14.711 0.476 223 HG3 LYS 33 2HG LYS 33 -2.530 15.476 -1.101 224 HD2 LYS 33 1HD LYS 33 -3.547 17.120 1.167 225 HD3 LYS 33 2HD LYS 33 -1.831 16.712 1.119 226 HE2 LYS 33 1HE LYS 33 -1.913 18.732 -0.019 227 HE3 LYS 33 2HE LYS 33 -1.941 17.547 -1.324 228 HZ1 LYS 33 3HZ LYS 33 -4.568 18.170 -0.416 229 HZ2 LYS 33 1HZ LYS 33 -3.922 18.261 -1.977 230 HZ3 LYS 33 2HZ LYS 33 -3.748 19.563 -0.914 231 H ALA 34 H ALA 34 -6.338 13.050 0.398 232 HA ALA 34 HA ALA 34 -4.365 10.938 0.920 233 HB1 ALA 34 3HB ALA 34 -6.027 10.537 2.909 234 HB2 ALA 34 1HB ALA 34 -4.842 11.842 2.973 235 HB3 ALA 34 2HB ALA 34 -6.519 12.193 2.553 236 H ALA 35 H ALA 35 -6.204 11.006 -1.395 237 HA ALA 35 HA ALA 35 -8.434 9.453 -1.263 238 HB1 ALA 35 3HB ALA 35 -8.282 9.715 -3.460 239 HB2 ALA 35 1HB ALA 35 -6.604 10.230 -3.294 240 HB3 ALA 35 2HB ALA 35 -6.986 8.521 -3.514 241 HA PRO 36 HA PRO 36 -7.350 5.425 0.111 242 HB2 PRO 36 1HB PRO 36 -9.161 3.921 -1.241 243 HB3 PRO 36 2HB PRO 36 -9.600 4.961 0.120 244 HG2 PRO 36 1HG PRO 36 -9.852 5.479 -2.817 245 HG3 PRO 36 2HG PRO 36 -11.008 5.821 -1.518 246 HD2 PRO 36 1HD PRO 36 -9.409 7.728 -2.583 247 HD3 PRO 36 2HD PRO 36 -9.917 7.748 -0.882 248 H GLY 37 H GLY 37 -5.728 4.105 -0.424 249 HA2 GLY 37 1HA GLY 37 -4.209 4.076 -2.625 250 HA3 GLY 37 2HA GLY 37 -4.500 2.603 -1.710 251 H CYS 38 H CYS 38 -4.853 4.142 -4.686 252 HA CYS 38 HA CYS 38 -7.151 2.847 -5.697 253 HB2 CYS 38 1HB CYS 38 -6.254 3.456 -7.921 254 HB3 CYS 38 2HB CYS 38 -6.226 4.810 -6.796 255 H THR 39 H THR 39 -3.752 1.947 -5.570 256 HA THR 39 HA THR 39 -4.019 -0.358 -7.236 257 HB THR 39 HB THR 39 -1.848 0.196 -5.208 258 HG1 THR 39 HG1 THR 39 -1.580 0.767 -7.949 259 HG21 THR 39 3HG2 THR 39 -0.569 -1.106 -7.091 260 HG22 THR 39 1HG2 THR 39 -2.176 -1.717 -7.478 261 HG23 THR 39 2HG2 THR 39 -1.495 -1.984 -5.874 262 H LEU 40 H LEU 40 -5.017 -2.177 -6.707 263 HA LEU 40 HA LEU 40 -5.170 -2.930 -3.864 264 HB2 LEU 40 1HB LEU 40 -7.309 -2.437 -5.107 265 HB3 LEU 40 2HB LEU 40 -6.980 -3.871 -6.077 266 HG LEU 40 HG LEU 40 -7.064 -5.230 -3.998 267 HD11 LEU 40 1HD1 LEU 40 -8.503 -3.641 -2.259 268 HD12 LEU 40 2HD1 LEU 40 -7.199 -2.590 -2.808 269 HD13 LEU 40 3HD1 LEU 40 -6.823 -4.147 -2.071 270 HD21 LEU 40 3HD2 LEU 40 -9.032 -4.762 -5.551 271 HD22 LEU 40 1HD2 LEU 40 -9.596 -3.646 -4.308 272 HD23 LEU 40 2HD2 LEU 40 -9.405 -5.360 -3.933 273 H TRP 41 H TRP 41 -5.237 -5.286 -3.440 274 HA TRP 41 HA TRP 41 -3.176 -6.613 -5.016 275 HB2 TRP 41 1HB TRP 41 -3.207 -8.281 -3.146 276 HB3 TRP 41 2HB TRP 41 -2.824 -6.639 -2.639 277 HD1 TRP 41 HD1 TRP 41 -4.798 -5.292 -1.310 278 HE1 TRP 41 HE1 TRP 41 -6.700 -6.180 0.178 279 HE3 TRP 41 HE3 TRP 41 -4.789 -10.179 -2.813 280 HZ2 TRP 41 HZ2 TRP 41 -8.022 -8.628 0.654 281 HZ3 TRP 41 HZ3 TRP 41 -6.405 -11.728 -1.790 282 HH2 TRP 41 HH2 TRP 41 -7.986 -10.969 -0.093 283 H GLU 42 H GLU 42 -4.042 -7.502 -6.815 284 HA GLU 42 HA GLU 42 -5.881 -9.716 -6.443 285 HB2 GLU 42 1HB GLU 42 -7.456 -8.964 -8.139 286 HB3 GLU 42 2HB GLU 42 -7.376 -7.800 -6.824 287 HG2 GLU 42 1HG GLU 42 -5.834 -6.431 -8.200 288 HG3 GLU 42 2HG GLU 42 -6.083 -7.560 -9.530 289 H ALA 43 H ALA 43 -5.231 -11.378 -7.638 290 HA ALA 43 HA ALA 43 -2.975 -11.413 -9.210 291 HB1 ALA 43 3HB ALA 43 -5.370 -13.219 -9.153 292 HB2 ALA 43 1HB ALA 43 -3.997 -13.530 -10.215 293 HB3 ALA 43 2HB ALA 43 -3.769 -13.484 -8.466 294 H TYR 44 H TYR 44 -6.315 -11.537 -10.470 295 HA TYR 44 HA TYR 44 -5.506 -11.043 -13.151 296 HB2 TYR 44 1HB TYR 44 -7.527 -12.137 -13.113 297 HB3 TYR 44 2HB TYR 44 -8.102 -11.254 -11.703 298 HD1 TYR 44 HD1 TYR 44 -7.223 -10.646 -15.285 299 HD2 TYR 44 HD2 TYR 44 -9.758 -9.674 -12.010 300 HE1 TYR 44 HE1 TYR 44 -8.545 -9.181 -16.753 301 HE2 TYR 44 HE2 TYR 44 -11.088 -8.208 -13.468 302 HH TYR 44 HH TYR 44 -10.157 -7.625 -16.832 303 H SER 45 H SER 45 -4.791 -9.182 -13.921 304 HA SER 45 HA SER 45 -5.880 -6.680 -12.804 305 HB2 SER 45 1HB SER 45 -3.087 -7.335 -13.738 306 HB3 SER 45 2HB SER 45 -3.652 -5.675 -13.552 307 HG SER 45 HG SER 45 -2.560 -6.636 -11.684 308 H GLY 46 H GLY 46 -4.478 -8.172 -15.712 309 HA2 GLY 46 1HA GLY 46 -6.437 -7.330 -17.480 310 HA3 GLY 46 2HA GLY 46 -5.226 -6.056 -17.459 311 HA PRO 47 HA PRO 47 -2.961 -10.001 -19.105 312 HB2 PRO 47 1HB PRO 47 -4.512 -12.169 -19.624 313 HB3 PRO 47 2HB PRO 47 -3.741 -11.892 -18.058 314 HG2 PRO 47 1HG PRO 47 -6.562 -11.355 -18.901 315 HG3 PRO 47 2HG PRO 47 -5.962 -12.065 -17.391 316 HD2 PRO 47 1HD PRO 47 -6.729 -9.475 -17.578 317 HD3 PRO 47 2HD PRO 47 -5.435 -10.011 -16.487 318 H SER 48 H SER 48 -6.344 -9.946 -20.242 319 HA SER 48 HA SER 48 -5.413 -9.998 -23.009 320 HB2 SER 48 1HB SER 48 -7.418 -11.360 -21.984 321 HB3 SER 48 2HB SER 48 -8.309 -9.863 -22.256 322 HG SER 48 HG SER 48 -7.623 -11.743 -24.027 323 H SER 49 H SER 49 -4.805 -8.069 -23.760 324 HA SER 49 HA SER 49 -5.977 -5.615 -22.841 325 HB2 SER 49 1HB SER 49 -3.556 -5.953 -23.593 326 HB3 SER 49 2HB SER 49 -4.177 -5.927 -25.244 327 HG SER 49 HG SER 49 -5.241 -3.850 -24.308 328 H GLY 50 H GLY 50 -8.167 -5.749 -23.388 329 HA2 GLY 50 1HA GLY 50 -9.134 -4.495 -25.548 330 HA3 GLY 50 2HA GLY 50 -8.917 -6.124 -26.171 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -12.553 -24.913 9.811 2 HA2 GLY 1 1HA GLY 1 -11.839 -22.502 11.213 3 HA3 GLY 1 2HA GLY 1 -11.481 -22.879 9.534 4 H SER 2 H SER 2 -14.228 -22.044 11.638 5 HA SER 2 HA SER 2 -15.840 -21.093 9.493 6 HB2 SER 2 1HB SER 2 -16.012 -20.812 12.491 7 HB3 SER 2 2HB SER 2 -17.179 -20.047 11.414 8 HG SER 2 HG SER 2 -16.679 -22.792 11.825 9 H SER 3 H SER 3 -14.043 -19.414 12.072 10 HA SER 3 HA SER 3 -14.475 -16.845 10.827 11 HB2 SER 3 1HB SER 3 -14.390 -17.112 13.298 12 HB3 SER 3 2HB SER 3 -12.689 -17.560 13.165 13 HG SER 3 HG SER 3 -13.450 -15.186 11.943 14 H GLY 4 H GLY 4 -12.870 -15.492 9.956 15 HA2 GLY 4 1HA GLY 4 -10.554 -16.973 8.893 16 HA3 GLY 4 2HA GLY 4 -11.297 -15.576 8.128 17 H SER 5 H SER 5 -8.636 -16.556 9.738 18 HA SER 5 HA SER 5 -8.153 -13.869 10.853 19 HB2 SER 5 1HB SER 5 -8.230 -15.483 12.659 20 HB3 SER 5 2HB SER 5 -7.096 -16.538 11.815 21 HG SER 5 HG SER 5 -5.482 -15.068 12.153 22 H SER 6 H SER 6 -6.061 -12.990 10.600 23 HA SER 6 HA SER 6 -4.498 -14.233 8.432 24 HB2 SER 6 1HB SER 6 -5.734 -11.992 8.008 25 HB3 SER 6 2HB SER 6 -4.472 -11.280 9.013 26 HG SER 6 HG SER 6 -3.123 -11.474 7.416 27 H GLY 7 H GLY 7 -2.495 -14.825 8.929 28 HA2 GLY 7 1HA GLY 7 -1.347 -13.876 11.458 29 HA3 GLY 7 2HA GLY 7 -0.849 -15.311 10.575 30 H ASN 8 H ASN 8 -0.891 -11.767 10.348 31 HA ASN 8 HA ASN 8 1.854 -11.791 9.435 32 HB2 ASN 8 1HB ASN 8 -0.328 -10.607 7.703 33 HB3 ASN 8 2HB ASN 8 1.404 -10.472 7.407 34 HD21 ASN 8 1HD2 ASN 8 2.416 -12.047 6.332 35 HD22 ASN 8 2HD2 ASN 8 1.680 -13.525 5.821 36 HA PRO 9 HA PRO 9 1.985 -8.045 11.726 37 HB2 PRO 9 1HB PRO 9 4.088 -6.813 10.529 38 HB3 PRO 9 2HB PRO 9 4.274 -8.205 11.602 39 HG2 PRO 9 1HG PRO 9 4.250 -8.109 8.610 40 HG3 PRO 9 2HG PRO 9 5.318 -9.023 9.691 41 HD2 PRO 9 1HD PRO 9 3.206 -10.155 8.430 42 HD3 PRO 9 2HD PRO 9 3.757 -10.684 10.032 43 H HIS 10 H HIS 10 1.056 -8.169 8.515 44 HA HIS 10 HA HIS 10 0.222 -5.351 8.591 45 HB2 HIS 10 1HB HIS 10 1.338 -6.807 6.184 46 HB3 HIS 10 2HB HIS 10 0.626 -5.196 6.149 47 HD2 HIS 10 HD2 HIS 10 2.165 -3.612 8.392 48 HE1 HIS 10 HE1 HIS 10 5.744 -5.238 6.795 49 HE2 HIS 10 HE2 HIS 10 4.748 -3.500 8.322 50 H LEU 11 H LEU 11 -1.869 -5.019 8.136 51 HA LEU 11 HA LEU 11 -3.405 -7.289 7.052 52 HB2 LEU 11 1HB LEU 11 -5.297 -6.538 8.347 53 HB3 LEU 11 2HB LEU 11 -3.908 -6.798 9.399 54 HG LEU 11 HG LEU 11 -4.695 -4.068 8.408 55 HD11 LEU 11 1HD1 LEU 11 -6.285 -5.634 10.024 56 HD12 LEU 11 2HD1 LEU 11 -6.319 -3.875 9.918 57 HD13 LEU 11 3HD1 LEU 11 -5.361 -4.664 11.171 58 HD21 LEU 11 3HD2 LEU 11 -3.507 -3.954 10.921 59 HD22 LEU 11 1HD2 LEU 11 -2.765 -3.535 9.377 60 HD23 LEU 11 2HD2 LEU 11 -2.572 -5.160 10.035 61 H LEU 12 H LEU 12 -3.165 -3.756 7.176 62 HA LEU 12 HA LEU 12 -4.418 -3.659 4.521 63 HB2 LEU 12 1HB LEU 12 -6.191 -2.952 5.848 64 HB3 LEU 12 2HB LEU 12 -5.135 -2.091 6.965 65 HG LEU 12 HG LEU 12 -4.711 -0.444 5.089 66 HD11 LEU 12 1HD1 LEU 12 -6.989 -1.998 3.886 67 HD12 LEU 12 2HD1 LEU 12 -5.404 -1.674 3.183 68 HD13 LEU 12 3HD1 LEU 12 -6.562 -0.360 3.392 69 HD21 LEU 12 3HD2 LEU 12 -6.283 -0.147 7.049 70 HD22 LEU 12 1HD2 LEU 12 -7.589 -0.595 5.950 71 HD23 LEU 12 2HD2 LEU 12 -6.618 0.841 5.627 72 H VAL 13 H VAL 13 -2.710 -3.118 3.297 73 HA VAL 13 HA VAL 13 -1.386 -0.574 3.879 74 HB VAL 13 HB VAL 13 0.782 -1.754 3.002 75 HG11 VAL 13 1HG1 VAL 13 0.011 -2.403 5.825 76 HG12 VAL 13 2HG1 VAL 13 1.569 -1.869 5.191 77 HG13 VAL 13 3HG1 VAL 13 0.225 -0.733 5.299 78 HG21 VAL 13 3HG2 VAL 13 -0.767 -3.924 2.846 79 HG22 VAL 13 1HG2 VAL 13 0.963 -4.009 3.174 80 HG23 VAL 13 2HG2 VAL 13 -0.191 -4.114 4.503 81 H LYS 14 H LYS 14 -1.982 0.593 2.166 82 HA LYS 14 HA LYS 14 -1.496 -0.542 -0.506 83 HB2 LYS 14 1HB LYS 14 -3.814 1.239 0.267 84 HB3 LYS 14 2HB LYS 14 -3.470 0.641 -1.350 85 HG2 LYS 14 1HG LYS 14 -3.966 -1.210 0.959 86 HG3 LYS 14 2HG LYS 14 -5.277 -0.553 -0.024 87 HD2 LYS 14 1HD LYS 14 -4.559 -1.672 -1.941 88 HD3 LYS 14 2HD LYS 14 -2.936 -1.929 -1.298 89 HE2 LYS 14 1HE LYS 14 -5.231 -3.148 0.147 90 HE3 LYS 14 2HE LYS 14 -4.736 -3.871 -1.383 91 HZ1 LYS 14 3HZ LYS 14 -3.653 -4.469 0.993 92 HZ2 LYS 14 1HZ LYS 14 -2.571 -3.290 0.445 93 HZ3 LYS 14 2HZ LYS 14 -2.860 -4.670 -0.488 94 H TYR 15 H TYR 15 -1.387 1.234 -2.201 95 HA TYR 15 HA TYR 15 -0.546 3.833 -1.258 96 HB2 TYR 15 1HB TYR 15 1.698 3.740 -1.775 97 HB3 TYR 15 2HB TYR 15 1.442 2.103 -1.182 98 HD1 TYR 15 HD2 TYR 15 0.357 0.608 -3.319 99 HD2 TYR 15 HD1 TYR 15 3.196 3.771 -3.523 100 HE1 TYR 15 HE2 TYR 15 1.203 -0.297 -5.443 101 HE2 TYR 15 HE1 TYR 15 4.049 2.874 -5.648 102 HH TYR 15 HH TYR 15 2.413 0.489 -7.425 103 H HIS 16 H HIS 16 0.383 5.097 -3.266 104 HA HIS 16 HA HIS 16 -1.490 4.590 -5.473 105 HB2 HIS 16 1HB HIS 16 -0.224 7.093 -4.394 106 HB3 HIS 16 2HB HIS 16 -0.874 7.049 -6.030 107 HD2 HIS 16 HD2 HIS 16 -2.069 7.618 -2.469 108 HE1 HIS 16 HE1 HIS 16 -5.541 6.987 -4.823 109 HE2 HIS 16 HE2 HIS 16 -4.643 7.819 -2.622 110 H SER 17 H SER 17 -0.622 3.630 -7.180 111 HA SER 17 HA SER 17 2.216 3.665 -7.658 112 HB2 SER 17 1HB SER 17 0.881 1.638 -8.088 113 HB3 SER 17 2HB SER 17 -0.026 2.502 -9.330 114 HG SER 17 HG SER 17 2.104 2.844 -10.340 115 H GLY 18 H GLY 18 1.316 6.252 -7.745 116 HA2 GLY 18 1HA GLY 18 2.163 7.043 -10.371 117 HA3 GLY 18 2HA GLY 18 0.459 7.368 -10.091 118 H PHE 19 H PHE 19 2.717 9.213 -10.526 119 HA PHE 19 HA PHE 19 3.288 10.497 -8.038 120 HB2 PHE 19 1HB PHE 19 3.552 11.612 -10.838 121 HB3 PHE 19 2HB PHE 19 4.335 12.229 -9.386 122 HD1 PHE 19 HD2 PHE 19 6.181 11.005 -8.355 123 HD2 PHE 19 HD1 PHE 19 4.379 9.678 -11.976 124 HE1 PHE 19 HE2 PHE 19 8.109 9.535 -8.772 125 HE2 PHE 19 HE1 PHE 19 6.304 8.204 -12.398 126 HZ PHE 19 HZ PHE 19 8.173 8.133 -10.796 127 H PHE 20 H PHE 20 2.865 13.036 -8.061 128 HA PHE 20 HA PHE 20 0.036 13.496 -8.717 129 HB2 PHE 20 1HB PHE 20 0.294 12.947 -6.301 130 HB3 PHE 20 2HB PHE 20 1.368 14.331 -6.133 131 HD1 PHE 20 HD1 PHE 20 -2.091 13.352 -7.025 132 HD2 PHE 20 HD2 PHE 20 0.514 16.476 -5.769 133 HE1 PHE 20 HE1 PHE 20 -4.035 14.802 -6.608 134 HE2 PHE 20 HE2 PHE 20 -1.426 17.929 -5.349 135 HZ PHE 20 HZ PHE 20 -3.705 17.093 -5.768 136 H VAL 21 H VAL 21 0.346 14.880 -10.391 137 HA VAL 21 HA VAL 21 1.905 17.320 -9.835 138 HB VAL 21 HB VAL 21 2.437 17.524 -12.150 139 HG11 VAL 21 1HG1 VAL 21 3.046 15.064 -10.711 140 HG12 VAL 21 2HG1 VAL 21 3.227 14.911 -12.460 141 HG13 VAL 21 3HG1 VAL 21 4.115 16.159 -11.587 142 HG21 VAL 21 3HG2 VAL 21 0.081 16.060 -12.552 143 HG22 VAL 21 1HG2 VAL 21 1.153 16.730 -13.782 144 HG23 VAL 21 2HG2 VAL 21 1.381 15.073 -13.219 145 H ASP 22 H ASP 22 1.093 19.303 -10.670 146 HA ASP 22 HA ASP 22 -0.574 20.851 -10.853 147 HB2 ASP 22 1HB ASP 22 -1.875 18.874 -12.722 148 HB3 ASP 22 2HB ASP 22 -1.957 20.632 -12.777 149 H GLY 23 H GLY 23 -0.917 19.427 -8.577 150 HA2 GLY 23 1HA GLY 23 -2.463 18.796 -6.999 151 HA3 GLY 23 2HA GLY 23 -3.546 19.884 -7.857 152 H LYS 24 H LYS 24 -2.171 17.061 -9.382 153 HA LYS 24 HA LYS 24 -4.654 15.563 -9.009 154 HB2 LYS 24 1HB LYS 24 -4.726 16.981 -11.141 155 HB3 LYS 24 2HB LYS 24 -3.475 15.911 -11.760 156 HG2 LYS 24 1HG LYS 24 -5.323 14.880 -12.594 157 HG3 LYS 24 2HG LYS 24 -5.190 14.044 -11.045 158 HD2 LYS 24 1HD LYS 24 -7.015 15.100 -10.163 159 HD3 LYS 24 2HD LYS 24 -6.780 16.553 -11.138 160 HE2 LYS 24 1HE LYS 24 -7.365 14.927 -13.116 161 HE3 LYS 24 2HE LYS 24 -8.129 13.986 -11.835 162 HZ1 LYS 24 3HZ LYS 24 -9.873 15.313 -12.090 163 HZ2 LYS 24 1HZ LYS 24 -9.025 16.379 -13.094 164 HZ3 LYS 24 2HZ LYS 24 -8.957 16.565 -11.414 165 H PHE 25 H PHE 25 -4.467 13.310 -9.454 166 HA PHE 25 HA PHE 25 -1.761 12.324 -9.038 167 HB2 PHE 25 1HB PHE 25 -4.505 11.240 -8.653 168 HB3 PHE 25 2HB PHE 25 -3.218 10.082 -8.974 169 HD1 PHE 25 HD1 PHE 25 -0.951 10.903 -7.558 170 HD2 PHE 25 HD2 PHE 25 -5.031 11.351 -6.432 171 HE1 PHE 25 HE1 PHE 25 -0.285 10.984 -5.191 172 HE2 PHE 25 HE2 PHE 25 -4.372 11.435 -4.063 173 HZ PHE 25 HZ PHE 25 -1.996 11.252 -3.440 174 H LEU 26 H LEU 26 -1.057 10.354 -10.220 175 HA LEU 26 HA LEU 26 -1.798 10.573 -13.058 176 HB2 LEU 26 1HB LEU 26 0.751 9.825 -11.673 177 HB3 LEU 26 2HB LEU 26 0.456 9.355 -13.346 178 HG LEU 26 HG LEU 26 0.095 11.841 -13.804 179 HD11 LEU 26 1HD1 LEU 26 0.731 13.432 -12.279 180 HD12 LEU 26 2HD1 LEU 26 1.756 12.316 -11.376 181 HD13 LEU 26 3HD1 LEU 26 0.001 12.226 -11.218 182 HD21 LEU 26 3HD2 LEU 26 2.298 10.244 -13.946 183 HD22 LEU 26 1HD2 LEU 26 2.896 11.596 -12.983 184 HD23 LEU 26 2HD2 LEU 26 2.198 11.889 -14.577 185 H CYS 27 H CYS 27 -1.906 8.539 -10.342 186 HA CYS 27 HA CYS 27 -2.051 6.075 -11.879 187 HB2 CYS 27 1HB CYS 27 -2.581 5.121 -9.540 188 HB3 CYS 27 2HB CYS 27 -0.958 5.739 -9.834 189 H CYS 28 H CYS 28 -4.177 8.014 -9.790 190 HA CYS 28 HA CYS 28 -6.479 6.849 -11.202 191 HB2 CYS 28 1HB CYS 28 -7.738 6.928 -9.039 192 HB3 CYS 28 2HB CYS 28 -6.429 5.752 -9.063 193 H GLN 29 H GLN 29 -4.846 9.476 -11.120 194 HA GLN 29 HA GLN 29 -5.235 11.753 -10.976 195 HB2 GLN 29 1HB GLN 29 -7.335 10.564 -12.759 196 HB3 GLN 29 2HB GLN 29 -7.272 12.301 -12.497 197 HG2 GLN 29 1HG GLN 29 -6.075 11.890 -14.477 198 HG3 GLN 29 2HG GLN 29 -4.868 12.212 -13.234 199 HE21 GLN 29 1HE2 GLN 29 -3.268 11.130 -14.375 200 HE22 GLN 29 2HE2 GLN 29 -3.231 9.407 -14.503 201 H GLN 30 H GLN 30 -6.247 10.470 -8.663 202 HA GLN 30 HA GLN 30 -8.900 11.469 -8.149 203 HB2 GLN 30 1HB GLN 30 -6.873 9.891 -6.650 204 HB3 GLN 30 2HB GLN 30 -8.062 10.780 -5.707 205 HG2 GLN 30 1HG GLN 30 -9.734 9.623 -7.394 206 HG3 GLN 30 2HG GLN 30 -8.419 8.454 -7.509 207 HE21 GLN 30 1HE2 GLN 30 -8.249 6.952 -5.984 208 HE22 GLN 30 2HE2 GLN 30 -9.137 6.924 -4.502 209 H SER 31 H SER 31 -9.018 13.650 -8.157 210 HA SER 31 HA SER 31 -7.212 15.556 -7.542 211 HB2 SER 31 1HB SER 31 -9.069 17.030 -6.911 212 HB3 SER 31 2HB SER 31 -9.504 16.044 -8.306 213 HG SER 31 HG SER 31 -10.405 15.879 -5.652 214 H CYS 32 H CYS 32 -9.088 13.683 -5.217 215 HA CYS 32 HA CYS 32 -8.301 15.096 -2.905 216 HB2 CYS 32 1HB CYS 32 -9.344 12.309 -3.369 217 HB3 CYS 32 2HB CYS 32 -8.898 12.865 -1.759 218 H LYS 33 H LYS 33 -6.390 15.212 -1.949 219 HA LYS 33 HA LYS 33 -4.142 13.739 -2.842 220 HB2 LYS 33 1HB LYS 33 -4.151 16.053 -1.793 221 HB3 LYS 33 2HB LYS 33 -4.344 15.252 -0.240 222 HG2 LYS 33 1HG LYS 33 -2.074 15.550 -0.319 223 HG3 LYS 33 2HG LYS 33 -2.228 13.921 -0.980 224 HD2 LYS 33 1HD LYS 33 -1.789 14.620 -3.145 225 HD3 LYS 33 2HD LYS 33 -2.261 16.287 -2.810 226 HE2 LYS 33 1HE LYS 33 0.152 14.999 -1.559 227 HE3 LYS 33 2HE LYS 33 0.221 15.838 -3.108 228 HZ1 LYS 33 3HZ LYS 33 -1.099 17.493 -1.285 229 HZ2 LYS 33 1HZ LYS 33 0.405 17.740 -2.020 230 HZ3 LYS 33 2HZ LYS 33 0.311 16.937 -0.533 231 H ALA 34 H ALA 34 -6.082 13.577 0.131 232 HA ALA 34 HA ALA 34 -4.623 11.258 1.067 233 HB1 ALA 34 3HB ALA 34 -5.732 11.510 3.076 234 HB2 ALA 34 1HB ALA 34 -5.664 13.171 2.484 235 HB3 ALA 34 2HB ALA 34 -7.151 12.236 2.322 236 H ALA 35 H ALA 35 -5.841 10.827 -1.425 237 HA ALA 35 HA ALA 35 -8.336 9.463 -1.122 238 HB1 ALA 35 3HB ALA 35 -7.965 10.351 -3.253 239 HB2 ALA 35 1HB ALA 35 -6.340 9.672 -3.353 240 HB3 ALA 35 2HB ALA 35 -7.748 8.613 -3.462 241 HA PRO 36 HA PRO 36 -6.993 5.486 0.176 242 HB2 PRO 36 1HB PRO 36 -8.872 3.919 -1.001 243 HB3 PRO 36 2HB PRO 36 -9.217 4.950 0.394 244 HG2 PRO 36 1HG PRO 36 -9.755 5.447 -2.510 245 HG3 PRO 36 2HG PRO 36 -10.798 5.758 -1.109 246 HD2 PRO 36 1HD PRO 36 -9.364 7.710 -2.321 247 HD3 PRO 36 2HD PRO 36 -9.713 7.722 -0.581 248 H GLY 37 H GLY 37 -5.359 4.256 -0.512 249 HA2 GLY 37 1HA GLY 37 -4.065 4.253 -2.845 250 HA3 GLY 37 2HA GLY 37 -4.212 2.779 -1.900 251 H CYS 38 H CYS 38 -4.961 4.318 -4.820 252 HA CYS 38 HA CYS 38 -7.286 3.016 -5.640 253 HB2 CYS 38 1HB CYS 38 -6.425 3.413 -7.965 254 HB3 CYS 38 2HB CYS 38 -6.429 4.843 -6.938 255 H THR 39 H THR 39 -3.930 1.959 -5.686 256 HA THR 39 HA THR 39 -4.404 -0.409 -7.204 257 HB THR 39 HB THR 39 -2.167 0.664 -7.026 258 HG1 THR 39 HG1 THR 39 -1.249 -1.254 -7.308 259 HG21 THR 39 3HG2 THR 39 -2.582 0.859 -4.396 260 HG22 THR 39 1HG2 THR 39 -0.966 0.804 -5.095 261 HG23 THR 39 2HG2 THR 39 -1.682 -0.656 -4.414 262 H LEU 40 H LEU 40 -3.959 -2.611 -6.318 263 HA LEU 40 HA LEU 40 -4.379 -3.094 -3.529 264 HB2 LEU 40 1HB LEU 40 -6.677 -2.549 -4.708 265 HB3 LEU 40 2HB LEU 40 -6.547 -4.228 -5.225 266 HG LEU 40 HG LEU 40 -6.454 -3.359 -2.340 267 HD11 LEU 40 1HD1 LEU 40 -8.839 -4.661 -2.724 268 HD12 LEU 40 2HD1 LEU 40 -8.709 -3.647 -4.160 269 HD13 LEU 40 3HD1 LEU 40 -8.630 -2.918 -2.557 270 HD21 LEU 40 3HD2 LEU 40 -5.440 -5.490 -2.641 271 HD22 LEU 40 1HD2 LEU 40 -6.732 -6.022 -3.719 272 HD23 LEU 40 2HD2 LEU 40 -7.061 -5.772 -2.005 273 H TRP 41 H TRP 41 -3.484 -4.987 -2.994 274 HA TRP 41 HA TRP 41 -1.959 -6.507 -4.669 275 HB2 TRP 41 1HB TRP 41 -1.991 -6.618 -2.160 276 HB3 TRP 41 2HB TRP 41 -3.431 -7.626 -2.278 277 HD1 TRP 41 HD1 TRP 41 -2.575 -9.589 -4.579 278 HE1 TRP 41 HE1 TRP 41 -0.705 -11.312 -4.182 279 HE3 TRP 41 HE3 TRP 41 -0.215 -7.336 -0.642 280 HZ2 TRP 41 HZ2 TRP 41 1.480 -11.671 -2.431 281 HZ3 TRP 41 HZ3 TRP 41 1.757 -8.435 0.336 282 HH2 TRP 41 HH2 TRP 41 2.585 -10.557 -0.541 283 H GLU 42 H GLU 42 -5.199 -7.478 -3.522 284 HA GLU 42 HA GLU 42 -5.365 -9.457 -5.643 285 HB2 GLU 42 1HB GLU 42 -7.353 -8.760 -3.474 286 HB3 GLU 42 2HB GLU 42 -7.457 -10.138 -4.561 287 HG2 GLU 42 1HG GLU 42 -5.540 -11.152 -3.587 288 HG3 GLU 42 2HG GLU 42 -5.178 -9.702 -2.651 289 H ALA 43 H ALA 43 -5.981 -8.810 -7.593 290 HA ALA 43 HA ALA 43 -8.179 -6.855 -7.788 291 HB1 ALA 43 3HB ALA 43 -6.865 -6.549 -10.153 292 HB2 ALA 43 1HB ALA 43 -6.656 -5.516 -8.740 293 HB3 ALA 43 2HB ALA 43 -5.532 -6.841 -9.038 294 H TYR 44 H TYR 44 -9.751 -7.229 -9.323 295 HA TYR 44 HA TYR 44 -9.964 -9.964 -10.240 296 HB2 TYR 44 1HB TYR 44 -11.843 -7.605 -10.333 297 HB3 TYR 44 2HB TYR 44 -12.225 -9.155 -11.076 298 HD1 TYR 44 HD1 TYR 44 -10.853 -7.996 -7.788 299 HD2 TYR 44 HD2 TYR 44 -13.650 -10.465 -9.836 300 HE1 TYR 44 HE1 TYR 44 -11.705 -8.812 -5.630 301 HE2 TYR 44 HE2 TYR 44 -14.510 -11.286 -7.683 302 HH TYR 44 HH TYR 44 -13.961 -9.817 -4.802 303 H SER 45 H SER 45 -7.861 -8.674 -11.493 304 HA SER 45 HA SER 45 -8.364 -7.411 -13.905 305 HB2 SER 45 1HB SER 45 -6.113 -7.507 -13.149 306 HB3 SER 45 2HB SER 45 -6.138 -9.269 -13.065 307 HG SER 45 HG SER 45 -6.631 -8.052 -15.533 308 H GLY 46 H GLY 46 -9.763 -8.079 -15.402 309 HA2 GLY 46 1HA GLY 46 -9.293 -10.498 -16.845 310 HA3 GLY 46 2HA GLY 46 -10.721 -10.629 -15.829 311 HA PRO 47 HA PRO 47 -13.082 -8.845 -19.070 312 HB2 PRO 47 1HB PRO 47 -15.145 -7.817 -17.634 313 HB3 PRO 47 2HB PRO 47 -14.939 -9.550 -17.916 314 HG2 PRO 47 1HG PRO 47 -14.222 -7.924 -15.507 315 HG3 PRO 47 2HG PRO 47 -14.991 -9.520 -15.591 316 HD2 PRO 47 1HD PRO 47 -12.357 -9.198 -15.051 317 HD3 PRO 47 2HD PRO 47 -12.986 -10.607 -15.929 318 H SER 48 H SER 48 -11.477 -7.212 -19.589 319 HA SER 48 HA SER 48 -12.107 -4.554 -18.488 320 HB2 SER 48 1HB SER 48 -9.851 -3.879 -19.216 321 HB3 SER 48 2HB SER 48 -9.784 -5.244 -18.103 322 HG SER 48 HG SER 48 -9.672 -6.586 -20.041 323 H SER 49 H SER 49 -12.094 -2.748 -19.960 324 HA SER 49 HA SER 49 -13.353 -3.422 -22.475 325 HB2 SER 49 1HB SER 49 -12.716 -0.689 -21.337 326 HB3 SER 49 2HB SER 49 -13.824 -1.044 -22.661 327 HG SER 49 HG SER 49 -14.213 -2.261 -20.161 328 H GLY 50 H GLY 50 -12.708 -2.325 -24.499 329 HA2 GLY 50 1HA GLY 50 -10.337 -3.010 -25.516 330 HA3 GLY 50 2HA GLY 50 -11.133 -1.526 -26.017 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -29.228 -13.138 0.166 2 HA2 GLY 1 1HA GLY 1 -29.075 -12.188 2.943 3 HA3 GLY 1 2HA GLY 1 -28.084 -13.556 2.457 4 H SER 2 H SER 2 -26.304 -12.160 3.156 5 HA SER 2 HA SER 2 -25.240 -10.693 0.893 6 HB2 SER 2 1HB SER 2 -24.759 -8.661 2.143 7 HB3 SER 2 2HB SER 2 -26.494 -8.974 2.178 8 HG SER 2 HG SER 2 -25.015 -8.538 4.233 9 H SER 3 H SER 3 -22.954 -9.885 1.456 10 HA SER 3 HA SER 3 -21.642 -11.887 3.177 11 HB2 SER 3 1HB SER 3 -19.770 -11.925 1.630 12 HB3 SER 3 2HB SER 3 -21.256 -12.270 0.747 13 HG SER 3 HG SER 3 -20.756 -10.644 -0.467 14 H GLY 4 H GLY 4 -21.118 -10.804 4.984 15 HA2 GLY 4 1HA GLY 4 -19.387 -8.453 4.682 16 HA3 GLY 4 2HA GLY 4 -20.808 -8.320 5.707 17 H SER 5 H SER 5 -17.609 -8.680 5.849 18 HA SER 5 HA SER 5 -17.492 -10.728 7.904 19 HB2 SER 5 1HB SER 5 -15.092 -10.382 7.862 20 HB3 SER 5 2HB SER 5 -15.682 -10.489 6.203 21 HG SER 5 HG SER 5 -15.439 -7.985 7.462 22 H SER 6 H SER 6 -19.149 -8.626 8.631 23 HA SER 6 HA SER 6 -19.468 -6.923 10.146 24 HB2 SER 6 1HB SER 6 -17.827 -8.984 11.617 25 HB3 SER 6 2HB SER 6 -18.519 -7.579 12.431 26 HG SER 6 HG SER 6 -19.771 -9.826 11.375 27 H GLY 7 H GLY 7 -17.449 -6.195 8.382 28 HA2 GLY 7 1HA GLY 7 -16.335 -3.982 8.953 29 HA3 GLY 7 2HA GLY 7 -15.442 -4.927 10.134 30 H ASN 8 H ASN 8 -13.413 -4.657 9.313 31 HA ASN 8 HA ASN 8 -12.819 -6.158 6.895 32 HB2 ASN 8 1HB ASN 8 -11.303 -4.202 6.147 33 HB3 ASN 8 2HB ASN 8 -13.032 -4.080 5.832 34 HD21 ASN 8 1HD2 ASN 8 -10.614 -3.243 8.281 35 HD22 ASN 8 2HD2 ASN 8 -11.322 -1.727 8.709 36 HA PRO 9 HA PRO 9 -9.268 -7.364 9.182 37 HB2 PRO 9 1HB PRO 9 -7.538 -7.928 7.169 38 HB3 PRO 9 2HB PRO 9 -8.922 -8.954 7.561 39 HG2 PRO 9 1HG PRO 9 -8.644 -6.891 5.411 40 HG3 PRO 9 2HG PRO 9 -9.372 -8.506 5.325 41 HD2 PRO 9 1HD PRO 9 -10.852 -6.251 5.569 42 HD3 PRO 9 2HD PRO 9 -11.350 -7.802 6.277 43 H HIS 10 H HIS 10 -8.877 -4.897 6.698 44 HA HIS 10 HA HIS 10 -6.994 -3.493 8.418 45 HB2 HIS 10 1HB HIS 10 -5.426 -3.103 6.523 46 HB3 HIS 10 2HB HIS 10 -5.500 -4.788 7.026 47 HD2 HIS 10 HD2 HIS 10 -4.816 -5.789 4.529 48 HE1 HIS 10 HE1 HIS 10 -8.196 -4.250 2.478 49 HE2 HIS 10 HE2 HIS 10 -6.239 -5.833 2.370 50 H LEU 11 H LEU 11 -6.397 -1.313 7.283 51 HA LEU 11 HA LEU 11 -8.306 -0.230 5.460 52 HB2 LEU 11 1HB LEU 11 -9.796 -0.179 7.288 53 HB3 LEU 11 2HB LEU 11 -8.544 0.387 8.391 54 HG LEU 11 HG LEU 11 -8.548 2.516 6.911 55 HD11 LEU 11 1HD1 LEU 11 -10.209 1.173 5.332 56 HD12 LEU 11 2HD1 LEU 11 -10.292 2.925 5.517 57 HD13 LEU 11 3HD1 LEU 11 -11.401 1.890 6.417 58 HD21 LEU 11 3HD2 LEU 11 -9.308 3.137 8.918 59 HD22 LEU 11 1HD2 LEU 11 -10.237 1.652 9.124 60 HD23 LEU 11 2HD2 LEU 11 -10.918 2.998 8.210 61 H LEU 12 H LEU 12 -7.562 1.617 4.537 62 HA LEU 12 HA LEU 12 -6.096 3.254 3.953 63 HB2 LEU 12 1HB LEU 12 -5.832 3.392 6.949 64 HB3 LEU 12 2HB LEU 12 -5.061 4.538 5.854 65 HG LEU 12 HG LEU 12 -8.018 4.145 5.713 66 HD11 LEU 12 1HD1 LEU 12 -7.491 6.349 7.392 67 HD12 LEU 12 2HD1 LEU 12 -6.639 4.963 8.071 68 HD13 LEU 12 3HD1 LEU 12 -8.374 4.871 7.776 69 HD21 LEU 12 3HD2 LEU 12 -8.025 6.196 4.687 70 HD22 LEU 12 1HD2 LEU 12 -6.449 5.586 4.180 71 HD23 LEU 12 2HD2 LEU 12 -6.563 6.738 5.512 72 H VAL 13 H VAL 13 -5.112 0.678 3.749 73 HA VAL 13 HA VAL 13 -2.263 1.099 4.367 74 HB VAL 13 HB VAL 13 -3.632 -1.592 4.386 75 HG11 VAL 13 1HG1 VAL 13 -1.001 -1.014 3.979 76 HG12 VAL 13 2HG1 VAL 13 -1.052 -1.237 5.729 77 HG13 VAL 13 3HG1 VAL 13 -1.609 -2.523 4.657 78 HG21 VAL 13 3HG2 VAL 13 -4.126 -1.368 6.552 79 HG22 VAL 13 1HG2 VAL 13 -2.551 -0.664 6.917 80 HG23 VAL 13 2HG2 VAL 13 -3.859 0.361 6.327 81 H LYS 14 H LYS 14 -3.336 1.928 1.991 82 HA LYS 14 HA LYS 14 -2.427 -0.125 0.081 83 HB2 LYS 14 1HB LYS 14 -4.468 2.074 -0.266 84 HB3 LYS 14 2HB LYS 14 -3.835 1.116 -1.598 85 HG2 LYS 14 1HG LYS 14 -4.638 -0.915 -0.240 86 HG3 LYS 14 2HG LYS 14 -5.594 0.260 0.666 87 HD2 LYS 14 1HD LYS 14 -5.717 0.345 -2.304 88 HD3 LYS 14 2HD LYS 14 -6.555 -0.969 -1.475 89 HE2 LYS 14 1HE LYS 14 -6.922 1.963 -0.870 90 HE3 LYS 14 2HE LYS 14 -7.988 1.010 -1.902 91 HZ1 LYS 14 3HZ LYS 14 -7.588 0.822 1.013 92 HZ2 LYS 14 1HZ LYS 14 -8.179 -0.504 0.144 93 HZ3 LYS 14 2HZ LYS 14 -9.032 0.957 0.143 94 H TYR 15 H TYR 15 -1.737 1.001 -2.077 95 HA TYR 15 HA TYR 15 -0.071 3.343 -1.438 96 HB2 TYR 15 1HB TYR 15 1.772 2.416 -2.688 97 HB3 TYR 15 2HB TYR 15 1.273 1.241 -1.478 98 HD1 TYR 15 HD2 TYR 15 0.085 -0.807 -2.152 99 HD2 TYR 15 HD1 TYR 15 1.547 1.959 -5.036 100 HE1 TYR 15 HE2 TYR 15 -0.160 -2.514 -3.906 101 HE2 TYR 15 HE1 TYR 15 1.305 0.260 -6.797 102 HH TYR 15 HH TYR 15 1.187 -2.763 -6.433 103 H HIS 16 H HIS 16 0.919 4.171 -3.652 104 HA HIS 16 HA HIS 16 -1.293 4.293 -5.598 105 HB2 HIS 16 1HB HIS 16 0.370 6.444 -4.380 106 HB3 HIS 16 2HB HIS 16 -0.099 6.632 -6.068 107 HD2 HIS 16 HD2 HIS 16 -1.403 7.730 -2.819 108 HE1 HIS 16 HE1 HIS 16 -4.888 7.037 -5.136 109 HE2 HIS 16 HE2 HIS 16 -3.938 8.163 -3.094 110 H SER 17 H SER 17 -0.817 3.748 -7.626 111 HA SER 17 HA SER 17 1.906 3.010 -8.278 112 HB2 SER 17 1HB SER 17 0.994 1.935 -10.208 113 HB3 SER 17 2HB SER 17 -0.123 1.615 -8.881 114 HG SER 17 HG SER 17 -1.431 2.289 -10.465 115 H GLY 18 H GLY 18 1.489 5.798 -7.901 116 HA2 GLY 18 1HA GLY 18 2.698 6.777 -10.296 117 HA3 GLY 18 2HA GLY 18 1.038 7.335 -10.142 118 H PHE 19 H PHE 19 1.763 9.494 -9.979 119 HA PHE 19 HA PHE 19 2.737 10.168 -7.294 120 HB2 PHE 19 1HB PHE 19 3.820 11.167 -9.922 121 HB3 PHE 19 2HB PHE 19 4.020 12.083 -8.432 122 HD1 PHE 19 HD1 PHE 19 4.752 8.832 -10.041 123 HD2 PHE 19 HD2 PHE 19 5.707 11.543 -6.902 124 HE1 PHE 19 HE1 PHE 19 6.739 7.489 -9.490 125 HE2 PHE 19 HE2 PHE 19 7.695 10.204 -6.346 126 HZ PHE 19 HZ PHE 19 8.215 8.175 -7.642 127 H PHE 20 H PHE 20 2.632 12.786 -7.211 128 HA PHE 20 HA PHE 20 -0.083 13.491 -8.114 129 HB2 PHE 20 1HB PHE 20 0.030 13.165 -5.678 130 HB3 PHE 20 2HB PHE 20 1.316 14.362 -5.576 131 HD1 PHE 20 HD2 PHE 20 0.829 16.740 -6.059 132 HD2 PHE 20 HD1 PHE 20 -2.244 13.804 -5.820 133 HE1 PHE 20 HE2 PHE 20 -0.847 18.521 -5.796 134 HE2 PHE 20 HE1 PHE 20 -3.926 15.581 -5.557 135 HZ PHE 20 HZ PHE 20 -3.228 17.943 -5.543 136 H VAL 21 H VAL 21 0.315 14.715 -9.881 137 HA VAL 21 HA VAL 21 1.982 17.111 -9.487 138 HB VAL 21 HB VAL 21 1.753 15.540 -12.057 139 HG11 VAL 21 1HG1 VAL 21 2.093 18.117 -12.046 140 HG12 VAL 21 2HG1 VAL 21 3.733 17.716 -11.534 141 HG13 VAL 21 3HG1 VAL 21 3.114 17.108 -13.069 142 HG21 VAL 21 3HG2 VAL 21 3.085 14.348 -10.396 143 HG22 VAL 21 1HG2 VAL 21 4.104 14.965 -11.697 144 HG23 VAL 21 2HG2 VAL 21 4.068 15.789 -10.138 145 H ASP 22 H ASP 22 1.154 19.017 -10.200 146 HA ASP 22 HA ASP 22 -0.326 20.535 -11.039 147 HB2 ASP 22 1HB ASP 22 -0.186 18.863 -13.050 148 HB3 ASP 22 2HB ASP 22 -1.801 18.391 -12.529 149 H GLY 23 H GLY 23 -0.794 19.317 -8.552 150 HA2 GLY 23 1HA GLY 23 -2.426 19.141 -6.948 151 HA3 GLY 23 2HA GLY 23 -3.416 20.127 -8.014 152 H LYS 24 H LYS 24 -2.124 16.910 -8.689 153 HA LYS 24 HA LYS 24 -4.462 15.468 -8.051 154 HB2 LYS 24 1HB LYS 24 -5.387 15.052 -10.242 155 HB3 LYS 24 2HB LYS 24 -5.359 16.787 -9.956 156 HG2 LYS 24 1HG LYS 24 -3.640 17.137 -11.474 157 HG3 LYS 24 2HG LYS 24 -3.126 15.450 -11.430 158 HD2 LYS 24 1HD LYS 24 -4.974 14.752 -12.725 159 HD3 LYS 24 2HD LYS 24 -5.810 16.291 -12.499 160 HE2 LYS 24 1HE LYS 24 -3.157 16.124 -13.895 161 HE3 LYS 24 2HE LYS 24 -4.673 15.856 -14.757 162 HZ1 LYS 24 3HZ LYS 24 -4.041 18.137 -14.979 163 HZ2 LYS 24 1HZ LYS 24 -3.867 18.317 -13.306 164 HZ3 LYS 24 2HZ LYS 24 -5.400 18.067 -13.975 165 H PHE 25 H PHE 25 -4.323 13.225 -8.647 166 HA PHE 25 HA PHE 25 -1.591 12.325 -8.818 167 HB2 PHE 25 1HB PHE 25 -4.215 10.854 -8.551 168 HB3 PHE 25 2HB PHE 25 -2.656 10.041 -8.627 169 HD1 PHE 25 HD1 PHE 25 -1.047 10.262 -6.802 170 HD2 PHE 25 HD2 PHE 25 -4.917 12.022 -6.586 171 HE1 PHE 25 HE1 PHE 25 -0.781 10.541 -4.372 172 HE2 PHE 25 HE2 PHE 25 -4.656 12.305 -4.156 173 HZ PHE 25 HZ PHE 25 -2.586 11.565 -3.046 174 H LEU 26 H LEU 26 -1.006 10.511 -10.303 175 HA LEU 26 HA LEU 26 -2.056 11.073 -12.992 176 HB2 LEU 26 1HB LEU 26 0.617 10.112 -12.019 177 HB3 LEU 26 2HB LEU 26 0.129 9.956 -13.704 178 HG LEU 26 HG LEU 26 1.579 11.906 -13.295 179 HD11 LEU 26 1HD1 LEU 26 -0.611 13.497 -14.026 180 HD12 LEU 26 2HD1 LEU 26 -0.962 11.875 -14.618 181 HD13 LEU 26 3HD1 LEU 26 0.535 12.680 -15.089 182 HD21 LEU 26 3HD2 LEU 26 -0.591 13.400 -11.967 183 HD22 LEU 26 1HD2 LEU 26 1.158 13.519 -11.772 184 HD23 LEU 26 2HD2 LEU 26 0.268 12.224 -10.971 185 H CYS 27 H CYS 27 -1.220 8.502 -10.738 186 HA CYS 27 HA CYS 27 -1.721 6.329 -12.472 187 HB2 CYS 27 1HB CYS 27 -2.050 5.071 -10.255 188 HB3 CYS 27 2HB CYS 27 -0.481 5.817 -10.541 189 H CYS 28 H CYS 28 -3.746 7.746 -9.901 190 HA CYS 28 HA CYS 28 -6.081 6.436 -11.108 191 HB2 CYS 28 1HB CYS 28 -7.153 7.241 -8.873 192 HB3 CYS 28 2HB CYS 28 -6.070 5.853 -8.855 193 H GLN 29 H GLN 29 -4.777 9.555 -10.160 194 HA GLN 29 HA GLN 29 -5.350 11.683 -10.720 195 HB2 GLN 29 1HB GLN 29 -7.206 10.478 -12.771 196 HB3 GLN 29 2HB GLN 29 -6.483 12.081 -12.790 197 HG2 GLN 29 1HG GLN 29 -4.246 10.672 -12.772 198 HG3 GLN 29 2HG GLN 29 -5.301 9.453 -13.485 199 HE21 GLN 29 1HE2 GLN 29 -3.540 12.319 -13.993 200 HE22 GLN 29 2HE2 GLN 29 -3.980 12.577 -15.644 201 H GLN 30 H GLN 30 -6.636 10.652 -8.547 202 HA GLN 30 HA GLN 30 -9.477 11.038 -8.730 203 HB2 GLN 30 1HB GLN 30 -7.576 10.551 -6.449 204 HB3 GLN 30 2HB GLN 30 -9.274 10.916 -6.167 205 HG2 GLN 30 1HG GLN 30 -9.993 8.934 -7.139 206 HG3 GLN 30 2HG GLN 30 -8.474 8.694 -8.001 207 HE21 GLN 30 1HE2 GLN 30 -9.713 6.726 -6.457 208 HE22 GLN 30 2HE2 GLN 30 -8.701 6.371 -5.103 209 H SER 31 H SER 31 -10.383 12.497 -6.790 210 HA SER 31 HA SER 31 -9.585 15.191 -7.499 211 HB2 SER 31 1HB SER 31 -11.867 14.039 -5.903 212 HB3 SER 31 2HB SER 31 -11.551 15.772 -5.943 213 HG SER 31 HG SER 31 -11.892 14.186 -8.268 214 H CYS 32 H CYS 32 -9.929 13.296 -4.505 215 HA CYS 32 HA CYS 32 -8.997 15.199 -2.711 216 HB2 CYS 32 1HB CYS 32 -9.962 12.765 -2.371 217 HB3 CYS 32 2HB CYS 32 -8.258 12.329 -2.318 218 H LYS 33 H LYS 33 -6.925 15.290 -1.578 219 HA LYS 33 HA LYS 33 -4.716 15.103 -3.480 220 HB2 LYS 33 1HB LYS 33 -5.313 17.189 -2.059 221 HB3 LYS 33 2HB LYS 33 -4.536 16.323 -0.739 222 HG2 LYS 33 1HG LYS 33 -2.446 16.406 -1.749 223 HG3 LYS 33 2HG LYS 33 -3.124 16.727 -3.347 224 HD2 LYS 33 1HD LYS 33 -3.648 18.960 -2.784 225 HD3 LYS 33 2HD LYS 33 -3.397 18.664 -1.062 226 HE2 LYS 33 1HE LYS 33 -1.199 18.419 -3.101 227 HE3 LYS 33 2HE LYS 33 -1.563 19.929 -2.267 228 HZ1 LYS 33 3HZ LYS 33 -0.574 19.219 -0.418 229 HZ2 LYS 33 1HZ LYS 33 0.120 18.006 -1.372 230 HZ3 LYS 33 2HZ LYS 33 -1.289 17.689 -0.492 231 H ALA 34 H ALA 34 -5.699 13.924 -0.311 232 HA ALA 34 HA ALA 34 -3.305 12.212 -0.238 233 HB1 ALA 34 3HB ALA 34 -5.065 12.512 2.139 234 HB2 ALA 34 1HB ALA 34 -3.318 12.289 2.044 235 HB3 ALA 34 2HB ALA 34 -4.027 13.864 1.688 236 H ALA 35 H ALA 35 -5.658 11.659 -1.855 237 HA ALA 35 HA ALA 35 -7.468 9.877 -0.785 238 HB1 ALA 35 3HB ALA 35 -7.238 10.830 -3.188 239 HB2 ALA 35 1HB ALA 35 -6.304 9.364 -3.491 240 HB3 ALA 35 2HB ALA 35 -7.979 9.247 -2.950 241 HA PRO 36 HA PRO 36 -5.215 6.290 0.395 242 HB2 PRO 36 1HB PRO 36 -7.143 4.405 0.089 243 HB3 PRO 36 2HB PRO 36 -7.150 5.580 1.409 244 HG2 PRO 36 1HG PRO 36 -8.670 5.619 -1.169 245 HG3 PRO 36 2HG PRO 36 -9.229 6.019 0.465 246 HD2 PRO 36 1HD PRO 36 -8.551 7.913 -1.347 247 HD3 PRO 36 2HD PRO 36 -8.310 8.131 0.399 248 H GLY 37 H GLY 37 -4.018 4.649 -0.491 249 HA2 GLY 37 1HA GLY 37 -3.225 4.550 -3.039 250 HA3 GLY 37 2HA GLY 37 -3.333 3.084 -2.073 251 H CYS 38 H CYS 38 -4.305 4.543 -4.891 252 HA CYS 38 HA CYS 38 -6.936 3.705 -5.257 253 HB2 CYS 38 1HB CYS 38 -6.312 3.677 -7.724 254 HB3 CYS 38 2HB CYS 38 -6.019 5.186 -6.864 255 H THR 39 H THR 39 -3.899 1.971 -5.767 256 HA THR 39 HA THR 39 -4.938 -0.319 -6.996 257 HB THR 39 HB THR 39 -2.893 -1.476 -6.038 258 HG1 THR 39 HG1 THR 39 -2.889 0.255 -4.252 259 HG21 THR 39 3HG2 THR 39 -1.402 -0.402 -7.538 260 HG22 THR 39 1HG2 THR 39 -2.260 1.133 -7.406 261 HG23 THR 39 2HG2 THR 39 -3.010 -0.229 -8.239 262 H LEU 40 H LEU 40 -6.692 -1.287 -6.126 263 HA LEU 40 HA LEU 40 -6.381 -2.419 -3.433 264 HB2 LEU 40 1HB LEU 40 -7.862 -0.703 -2.964 265 HB3 LEU 40 2HB LEU 40 -8.663 -0.834 -4.528 266 HG LEU 40 HG LEU 40 -9.643 -3.009 -3.728 267 HD11 LEU 40 1HD1 LEU 40 -7.853 -2.564 -1.587 268 HD12 LEU 40 2HD1 LEU 40 -8.981 -3.901 -1.813 269 HD13 LEU 40 3HD1 LEU 40 -9.490 -2.456 -0.940 270 HD21 LEU 40 3HD2 LEU 40 -10.383 -0.638 -2.024 271 HD22 LEU 40 1HD2 LEU 40 -11.424 -1.959 -2.556 272 HD23 LEU 40 2HD2 LEU 40 -10.817 -0.787 -3.727 273 H TRP 41 H TRP 41 -7.276 -4.448 -3.119 274 HA TRP 41 HA TRP 41 -7.269 -6.252 -5.180 275 HB2 TRP 41 1HB TRP 41 -8.452 -6.250 -2.448 276 HB3 TRP 41 2HB TRP 41 -8.956 -7.529 -3.548 277 HD1 TRP 41 HD1 TRP 41 -5.374 -6.115 -3.380 278 HE1 TRP 41 HE1 TRP 41 -3.788 -8.020 -2.684 279 HE3 TRP 41 HE3 TRP 41 -8.840 -9.753 -2.438 280 HZ2 TRP 41 HZ2 TRP 41 -3.982 -10.709 -1.848 281 HZ3 TRP 41 HZ3 TRP 41 -8.058 -11.964 -1.695 282 HH2 TRP 41 HH2 TRP 41 -5.678 -12.430 -1.406 283 H GLU 42 H GLU 42 -10.205 -4.877 -3.684 284 HA GLU 42 HA GLU 42 -12.207 -5.941 -5.082 285 HB2 GLU 42 1HB GLU 42 -11.750 -3.069 -4.338 286 HB3 GLU 42 2HB GLU 42 -13.215 -3.550 -5.181 287 HG2 GLU 42 1HG GLU 42 -12.387 -4.972 -2.692 288 HG3 GLU 42 2HG GLU 42 -13.203 -3.411 -2.598 289 H ALA 43 H ALA 43 -12.420 -6.464 -7.148 290 HA ALA 43 HA ALA 43 -12.108 -4.451 -9.201 291 HB1 ALA 43 3HB ALA 43 -10.709 -6.583 -10.328 292 HB2 ALA 43 1HB ALA 43 -10.053 -5.026 -9.819 293 HB3 ALA 43 2HB ALA 43 -10.037 -6.397 -8.709 294 H TYR 44 H TYR 44 -12.698 -5.387 -11.394 295 HA TYR 44 HA TYR 44 -15.072 -7.027 -11.045 296 HB2 TYR 44 1HB TYR 44 -15.833 -6.152 -13.037 297 HB3 TYR 44 2HB TYR 44 -14.785 -4.845 -12.496 298 HD1 TYR 44 HD2 TYR 44 -12.290 -5.011 -13.340 299 HD2 TYR 44 HD1 TYR 44 -15.596 -6.941 -15.196 300 HE1 TYR 44 HE2 TYR 44 -11.018 -5.157 -15.440 301 HE2 TYR 44 HE1 TYR 44 -14.333 -7.094 -17.302 302 HH TYR 44 HH TYR 44 -11.162 -6.836 -17.564 303 H SER 45 H SER 45 -15.545 -8.747 -12.645 304 HA SER 45 HA SER 45 -13.172 -10.422 -13.006 305 HB2 SER 45 1HB SER 45 -14.768 -12.277 -13.280 306 HB3 SER 45 2HB SER 45 -15.052 -11.408 -11.773 307 HG SER 45 HG SER 45 -16.735 -11.818 -13.815 308 H GLY 46 H GLY 46 -12.251 -9.701 -14.891 309 HA2 GLY 46 1HA GLY 46 -13.903 -9.401 -17.274 310 HA3 GLY 46 2HA GLY 46 -12.191 -9.030 -17.139 311 HA PRO 47 HA PRO 47 -12.518 -12.906 -19.603 312 HB2 PRO 47 1HB PRO 47 -10.540 -12.230 -21.333 313 HB3 PRO 47 2HB PRO 47 -12.219 -11.723 -21.549 314 HG2 PRO 47 1HG PRO 47 -9.909 -10.191 -20.417 315 HG3 PRO 47 2HG PRO 47 -11.167 -9.649 -21.542 316 HD2 PRO 47 1HD PRO 47 -11.235 -9.079 -18.895 317 HD3 PRO 47 2HD PRO 47 -12.707 -9.319 -19.858 318 H SER 48 H SER 48 -11.678 -13.958 -17.688 319 HA SER 48 HA SER 48 -8.915 -13.843 -17.010 320 HB2 SER 48 1HB SER 48 -10.898 -14.576 -15.530 321 HB3 SER 48 2HB SER 48 -10.739 -16.142 -16.326 322 HG SER 48 HG SER 48 -8.797 -14.781 -14.773 323 H SER 49 H SER 49 -10.889 -16.304 -18.662 324 HA SER 49 HA SER 49 -8.711 -18.008 -19.271 325 HB2 SER 49 1HB SER 49 -11.542 -17.781 -20.232 326 HB3 SER 49 2HB SER 49 -10.420 -18.851 -21.072 327 HG SER 49 HG SER 49 -11.727 -19.281 -18.790 328 H GLY 50 H GLY 50 -7.124 -17.691 -20.675 329 HA2 GLY 50 1HA GLY 50 -6.986 -17.311 -23.249 330 HA3 GLY 50 2HA GLY 50 -7.488 -15.690 -22.792 Start of MODEL 16 1 H1 GLY 1 H GLY 1 9.194 14.153 17.619 2 HA2 GLY 1 1HA GLY 1 9.806 14.422 20.175 3 HA3 GLY 1 2HA GLY 1 8.143 13.878 20.332 4 H SER 2 H SER 2 10.432 12.520 21.339 5 HA SER 2 HA SER 2 11.603 10.539 19.950 6 HB2 SER 2 1HB SER 2 10.470 10.629 22.708 7 HB3 SER 2 2HB SER 2 11.015 9.070 22.089 8 HG SER 2 HG SER 2 12.667 10.261 23.190 9 H SER 3 H SER 3 11.108 8.587 19.047 10 HA SER 3 HA SER 3 8.250 7.876 18.945 11 HB2 SER 3 1HB SER 3 8.463 7.250 16.672 12 HB3 SER 3 2HB SER 3 9.325 8.783 16.801 13 HG SER 3 HG SER 3 10.305 6.215 16.365 14 H GLY 4 H GLY 4 7.757 5.610 18.691 15 HA2 GLY 4 1HA GLY 4 9.925 3.842 19.643 16 HA3 GLY 4 2HA GLY 4 8.304 3.767 20.318 17 H SER 5 H SER 5 6.830 4.024 17.935 18 HA SER 5 HA SER 5 6.472 1.442 17.132 19 HB2 SER 5 1HB SER 5 5.281 2.299 15.195 20 HB3 SER 5 2HB SER 5 4.955 3.339 16.583 21 HG SER 5 HG SER 5 5.917 4.935 15.605 22 H SER 6 H SER 6 7.741 0.018 16.167 23 HA SER 6 HA SER 6 9.664 0.977 14.151 24 HB2 SER 6 1HB SER 6 10.121 -1.276 16.122 25 HB3 SER 6 2HB SER 6 11.267 -0.700 14.910 26 HG SER 6 HG SER 6 10.286 0.710 17.168 27 H GLY 7 H GLY 7 10.159 -0.486 12.443 28 HA2 GLY 7 1HA GLY 7 9.833 -2.456 11.177 29 HA3 GLY 7 2HA GLY 7 8.466 -2.861 12.205 30 H ASN 8 H ASN 8 8.212 -3.123 9.510 31 HA ASN 8 HA ASN 8 6.566 -0.804 8.739 32 HB2 ASN 8 1HB ASN 8 6.900 -1.717 6.373 33 HB3 ASN 8 2HB ASN 8 8.297 -0.968 7.140 34 HD21 ASN 8 1HD2 ASN 8 10.050 -2.008 6.547 35 HD22 ASN 8 2HD2 ASN 8 10.241 -3.724 6.476 36 HA PRO 9 HA PRO 9 3.623 -4.284 9.439 37 HB2 PRO 9 1HB PRO 9 1.674 -2.707 10.481 38 HB3 PRO 9 2HB PRO 9 2.993 -3.373 11.452 39 HG2 PRO 9 1HG PRO 9 2.704 -0.637 10.273 40 HG3 PRO 9 2HG PRO 9 3.275 -1.106 11.884 41 HD2 PRO 9 1HD PRO 9 4.964 -0.436 9.876 42 HD3 PRO 9 2HD PRO 9 5.386 -1.631 11.120 43 H HIS 10 H HIS 10 3.924 -1.759 7.346 44 HA HIS 10 HA HIS 10 1.303 -2.255 6.097 45 HB2 HIS 10 1HB HIS 10 1.418 -0.096 5.096 46 HB3 HIS 10 2HB HIS 10 1.854 0.115 6.788 47 HD2 HIS 10 HD2 HIS 10 2.913 1.957 4.056 48 HE1 HIS 10 HE1 HIS 10 6.671 0.653 5.531 49 HE2 HIS 10 HE2 HIS 10 5.469 2.354 4.115 50 H LEU 11 H LEU 11 3.339 -4.122 5.757 51 HA LEU 11 HA LEU 11 5.007 -3.790 3.563 52 HB2 LEU 11 1HB LEU 11 5.318 -5.698 4.900 53 HB3 LEU 11 2HB LEU 11 3.639 -6.201 4.713 54 HG LEU 11 HG LEU 11 4.190 -6.612 2.266 55 HD11 LEU 11 1HD1 LEU 11 6.415 -6.776 1.569 56 HD12 LEU 11 2HD1 LEU 11 7.034 -6.687 3.217 57 HD13 LEU 11 3HD1 LEU 11 6.344 -5.254 2.457 58 HD21 LEU 11 3HD2 LEU 11 4.877 -8.809 2.697 59 HD22 LEU 11 1HD2 LEU 11 4.009 -8.324 4.153 60 HD23 LEU 11 2HD2 LEU 11 5.773 -8.341 4.142 61 H LEU 12 H LEU 12 1.760 -5.269 3.600 62 HA LEU 12 HA LEU 12 1.538 -4.600 0.738 63 HB2 LEU 12 1HB LEU 12 -0.086 -6.503 0.625 64 HB3 LEU 12 2HB LEU 12 1.593 -6.955 0.913 65 HG LEU 12 HG LEU 12 -0.274 -6.677 3.230 66 HD11 LEU 12 1HD1 LEU 12 -0.044 -9.370 2.096 67 HD12 LEU 12 2HD1 LEU 12 -1.017 -8.249 1.145 68 HD13 LEU 12 3HD1 LEU 12 -1.425 -8.559 2.834 69 HD21 LEU 12 3HD2 LEU 12 1.783 -8.799 2.902 70 HD22 LEU 12 1HD2 LEU 12 1.266 -7.935 4.351 71 HD23 LEU 12 2HD2 LEU 12 2.326 -7.144 3.185 72 H VAL 13 H VAL 13 0.339 -2.805 0.626 73 HA VAL 13 HA VAL 13 -2.382 -2.883 1.595 74 HB VAL 13 HB VAL 13 -1.046 -1.981 3.527 75 HG11 VAL 13 1HG1 VAL 13 0.279 -0.541 1.625 76 HG12 VAL 13 2HG1 VAL 13 -0.815 0.667 2.300 77 HG13 VAL 13 3HG1 VAL 13 0.304 -0.199 3.354 78 HG21 VAL 13 3HG2 VAL 13 -3.512 -1.406 2.800 79 HG22 VAL 13 1HG2 VAL 13 -2.744 -0.576 4.154 80 HG23 VAL 13 2HG2 VAL 13 -2.832 0.206 2.576 81 H LYS 14 H LYS 14 -3.662 -1.050 0.807 82 HA LYS 14 HA LYS 14 -3.326 -0.555 -1.889 83 HB2 LYS 14 1HB LYS 14 -4.958 0.677 0.272 84 HB3 LYS 14 2HB LYS 14 -4.821 1.565 -1.240 85 HG2 LYS 14 1HG LYS 14 -6.019 0.027 -2.416 86 HG3 LYS 14 2HG LYS 14 -5.519 -1.315 -1.383 87 HD2 LYS 14 1HD LYS 14 -7.219 0.810 -0.188 88 HD3 LYS 14 2HD LYS 14 -7.978 -0.325 -1.306 89 HE2 LYS 14 1HE LYS 14 -7.277 -2.194 0.040 90 HE3 LYS 14 2HE LYS 14 -6.348 -1.133 1.098 91 HZ1 LYS 14 3HZ LYS 14 -8.667 -0.003 1.405 92 HZ2 LYS 14 1HZ LYS 14 -8.253 -1.378 2.300 93 HZ3 LYS 14 2HZ LYS 14 -9.248 -1.523 0.941 94 H TYR 15 H TYR 15 -1.908 0.617 -2.983 95 HA TYR 15 HA TYR 15 -0.810 3.044 -1.730 96 HB2 TYR 15 1HB TYR 15 1.366 2.531 -2.830 97 HB3 TYR 15 2HB TYR 15 0.914 1.355 -1.600 98 HD1 TYR 15 HD1 TYR 15 0.705 1.913 -5.286 99 HD2 TYR 15 HD2 TYR 15 1.005 -0.905 -2.112 100 HE1 TYR 15 HE1 TYR 15 0.979 0.102 -6.927 101 HE2 TYR 15 HE2 TYR 15 1.281 -2.723 -3.745 102 HH TYR 15 HH TYR 15 1.813 -2.118 -7.097 103 H HIS 16 H HIS 16 0.438 4.339 -3.522 104 HA HIS 16 HA HIS 16 -1.389 4.543 -5.820 105 HB2 HIS 16 1HB HIS 16 0.206 6.584 -4.301 106 HB3 HIS 16 2HB HIS 16 -0.315 6.908 -5.952 107 HD2 HIS 16 HD2 HIS 16 -1.593 7.443 -2.488 108 HE1 HIS 16 HE1 HIS 16 -5.054 7.280 -4.937 109 HE2 HIS 16 HE2 HIS 16 -4.119 7.960 -2.699 110 H SER 17 H SER 17 -0.585 3.653 -7.599 111 HA SER 17 HA SER 17 2.261 3.355 -7.981 112 HB2 SER 17 1HB SER 17 0.318 1.727 -8.675 113 HB3 SER 17 2HB SER 17 0.252 2.737 -10.118 114 HG SER 17 HG SER 17 1.840 0.753 -9.764 115 H GLY 18 H GLY 18 1.523 6.049 -7.842 116 HA2 GLY 18 1HA GLY 18 2.668 7.008 -10.291 117 HA3 GLY 18 2HA GLY 18 0.967 7.425 -10.144 118 H PHE 19 H PHE 19 2.710 9.454 -10.345 119 HA PHE 19 HA PHE 19 3.264 10.398 -7.629 120 HB2 PHE 19 1HB PHE 19 4.074 11.521 -10.318 121 HB3 PHE 19 2HB PHE 19 4.520 12.217 -8.764 122 HD1 PHE 19 HD1 PHE 19 4.868 9.193 -10.871 123 HD2 PHE 19 HD2 PHE 19 6.379 11.432 -7.581 124 HE1 PHE 19 HE1 PHE 19 6.848 7.733 -10.791 125 HE2 PHE 19 HE2 PHE 19 8.361 9.977 -7.497 126 HZ PHE 19 HZ PHE 19 8.598 8.126 -9.103 127 H PHE 20 H PHE 20 2.933 12.888 -7.419 128 HA PHE 20 HA PHE 20 0.183 13.468 -8.301 129 HB2 PHE 20 1HB PHE 20 0.537 13.191 -5.837 130 HB3 PHE 20 2HB PHE 20 1.608 14.588 -5.881 131 HD1 PHE 20 HD2 PHE 20 0.728 16.821 -6.221 132 HD2 PHE 20 HD1 PHE 20 -1.849 13.437 -6.060 133 HE1 PHE 20 HE2 PHE 20 -1.205 18.312 -5.920 134 HE2 PHE 20 HE1 PHE 20 -3.787 14.924 -5.761 135 HZ PHE 20 HZ PHE 20 -3.466 17.364 -5.690 136 H VAL 21 H VAL 21 0.411 14.680 -10.100 137 HA VAL 21 HA VAL 21 1.952 17.176 -9.836 138 HB VAL 21 HB VAL 21 1.769 15.464 -12.320 139 HG11 VAL 21 1HG1 VAL 21 1.745 17.913 -12.741 140 HG12 VAL 21 2HG1 VAL 21 3.294 18.031 -11.901 141 HG13 VAL 21 3HG1 VAL 21 3.165 17.096 -13.393 142 HG21 VAL 21 3HG2 VAL 21 4.435 16.031 -11.471 143 HG22 VAL 21 1HG2 VAL 21 3.534 15.340 -10.122 144 HG23 VAL 21 2HG2 VAL 21 3.639 14.469 -11.652 145 H ASP 22 H ASP 22 1.108 18.989 -10.898 146 HA ASP 22 HA ASP 22 -0.518 20.382 -11.667 147 HB2 ASP 22 1HB ASP 22 -0.390 18.517 -13.540 148 HB3 ASP 22 2HB ASP 22 -1.999 18.121 -12.940 149 H GLY 23 H GLY 23 -0.830 19.392 -9.085 150 HA2 GLY 23 1HA GLY 23 -2.379 19.184 -7.403 151 HA3 GLY 23 2HA GLY 23 -3.432 20.115 -8.458 152 H LYS 24 H LYS 24 -2.119 16.895 -9.072 153 HA LYS 24 HA LYS 24 -4.394 15.437 -8.270 154 HB2 LYS 24 1HB LYS 24 -5.362 14.895 -10.450 155 HB3 LYS 24 2HB LYS 24 -5.475 16.619 -10.124 156 HG2 LYS 24 1HG LYS 24 -3.961 17.169 -11.750 157 HG3 LYS 24 2HG LYS 24 -3.146 15.605 -11.673 158 HD2 LYS 24 1HD LYS 24 -4.266 15.384 -13.661 159 HD3 LYS 24 2HD LYS 24 -5.470 14.728 -12.550 160 HE2 LYS 24 1HE LYS 24 -6.811 16.603 -12.690 161 HE3 LYS 24 2HE LYS 24 -5.476 17.649 -13.173 162 HZ1 LYS 24 3HZ LYS 24 -5.553 16.870 -15.345 163 HZ2 LYS 24 1HZ LYS 24 -7.188 17.004 -14.929 164 HZ3 LYS 24 2HZ LYS 24 -6.439 15.487 -14.940 165 H PHE 25 H PHE 25 -4.124 13.216 -8.526 166 HA PHE 25 HA PHE 25 -1.439 12.344 -8.872 167 HB2 PHE 25 1HB PHE 25 -4.042 10.883 -8.445 168 HB3 PHE 25 2HB PHE 25 -2.512 10.034 -8.646 169 HD1 PHE 25 HD1 PHE 25 -0.644 10.524 -7.014 170 HD2 PHE 25 HD2 PHE 25 -4.666 11.758 -6.374 171 HE1 PHE 25 HE1 PHE 25 -0.174 10.796 -4.615 172 HE2 PHE 25 HE2 PHE 25 -4.203 12.034 -3.973 173 HZ PHE 25 HZ PHE 25 -1.954 11.554 -3.091 174 H LEU 26 H LEU 26 -0.869 10.479 -10.313 175 HA LEU 26 HA LEU 26 -1.979 10.955 -12.995 176 HB2 LEU 26 1HB LEU 26 0.726 10.089 -12.034 177 HB3 LEU 26 2HB LEU 26 0.214 9.810 -13.698 178 HG LEU 26 HG LEU 26 1.629 11.817 -13.431 179 HD11 LEU 26 1HD1 LEU 26 -0.129 11.568 -15.213 180 HD12 LEU 26 2HD1 LEU 26 0.340 13.224 -14.834 181 HD13 LEU 26 3HD1 LEU 26 -1.176 12.573 -14.213 182 HD21 LEU 26 3HD2 LEU 26 -0.685 12.807 -11.768 183 HD22 LEU 26 1HD2 LEU 26 0.636 13.813 -12.365 184 HD23 LEU 26 2HD2 LEU 26 0.966 12.515 -11.217 185 H CYS 27 H CYS 27 -1.153 8.485 -10.648 186 HA CYS 27 HA CYS 27 -1.622 6.241 -12.312 187 HB2 CYS 27 1HB CYS 27 -1.954 5.074 -10.035 188 HB3 CYS 27 2HB CYS 27 -0.379 5.783 -10.378 189 H CYS 28 H CYS 28 -3.665 7.928 -9.944 190 HA CYS 28 HA CYS 28 -5.995 6.514 -11.062 191 HB2 CYS 28 1HB CYS 28 -7.064 7.375 -8.839 192 HB3 CYS 28 2HB CYS 28 -6.013 5.962 -8.808 193 H GLN 29 H GLN 29 -4.727 9.648 -10.074 194 HA GLN 29 HA GLN 29 -5.269 11.767 -10.702 195 HB2 GLN 29 1HB GLN 29 -7.157 10.561 -12.721 196 HB3 GLN 29 2HB GLN 29 -6.392 12.143 -12.773 197 HG2 GLN 29 1HG GLN 29 -4.194 10.666 -12.742 198 HG3 GLN 29 2HG GLN 29 -5.292 9.476 -13.440 199 HE21 GLN 29 1HE2 GLN 29 -3.406 12.239 -13.997 200 HE22 GLN 29 2HE2 GLN 29 -3.858 12.510 -15.642 201 H GLN 30 H GLN 30 -6.548 10.765 -8.508 202 HA GLN 30 HA GLN 30 -9.390 11.227 -8.701 203 HB2 GLN 30 1HB GLN 30 -7.508 10.508 -6.479 204 HB3 GLN 30 2HB GLN 30 -9.140 11.048 -6.111 205 HG2 GLN 30 1HG GLN 30 -10.054 9.232 -7.452 206 HG3 GLN 30 2HG GLN 30 -8.422 8.698 -7.850 207 HE21 GLN 30 1HE2 GLN 30 -7.151 7.741 -6.244 208 HE22 GLN 30 2HE2 GLN 30 -7.846 7.090 -4.803 209 H SER 31 H SER 31 -10.308 12.673 -6.813 210 HA SER 31 HA SER 31 -8.991 15.294 -7.076 211 HB2 SER 31 1HB SER 31 -11.329 14.942 -8.056 212 HB3 SER 31 2HB SER 31 -11.896 14.856 -6.389 213 HG SER 31 HG SER 31 -10.266 17.009 -7.028 214 H CYS 32 H CYS 32 -8.009 13.646 -5.125 215 HA CYS 32 HA CYS 32 -8.652 15.165 -2.742 216 HB2 CYS 32 1HB CYS 32 -9.323 12.287 -3.079 217 HB3 CYS 32 2HB CYS 32 -8.646 12.781 -1.531 218 H LYS 33 H LYS 33 -6.851 15.616 -1.650 219 HA LYS 33 HA LYS 33 -4.324 14.697 -2.552 220 HB2 LYS 33 1HB LYS 33 -5.302 16.475 -0.375 221 HB3 LYS 33 2HB LYS 33 -3.671 15.833 -0.227 222 HG2 LYS 33 1HG LYS 33 -4.454 17.068 -2.811 223 HG3 LYS 33 2HG LYS 33 -4.164 18.128 -1.429 224 HD2 LYS 33 1HD LYS 33 -1.951 17.039 -1.128 225 HD3 LYS 33 2HD LYS 33 -2.246 16.116 -2.603 226 HE2 LYS 33 1HE LYS 33 -2.270 18.092 -3.928 227 HE3 LYS 33 2HE LYS 33 -2.293 19.124 -2.499 228 HZ1 LYS 33 3HZ LYS 33 -0.061 17.744 -3.754 229 HZ2 LYS 33 1HZ LYS 33 -0.058 17.781 -2.062 230 HZ3 LYS 33 2HZ LYS 33 -0.099 19.226 -2.939 231 H ALA 34 H ALA 34 -6.177 14.078 0.420 232 HA ALA 34 HA ALA 34 -4.275 12.024 1.221 233 HB1 ALA 34 3HB ALA 34 -4.840 12.815 3.223 234 HB2 ALA 34 1HB ALA 34 -6.226 13.684 2.563 235 HB3 ALA 34 2HB ALA 34 -6.385 11.988 3.024 236 H ALA 35 H ALA 35 -5.689 11.487 -1.167 237 HA ALA 35 HA ALA 35 -7.906 9.754 -0.649 238 HB1 ALA 35 3HB ALA 35 -8.084 9.522 -2.920 239 HB2 ALA 35 1HB ALA 35 -7.213 11.053 -2.828 240 HB3 ALA 35 2HB ALA 35 -6.338 9.561 -3.173 241 HA PRO 36 HA PRO 36 -5.825 6.012 0.342 242 HB2 PRO 36 1HB PRO 36 -7.617 4.204 -0.602 243 HB3 PRO 36 2HB PRO 36 -7.895 5.159 0.859 244 HG2 PRO 36 1HG PRO 36 -8.917 5.605 -1.919 245 HG3 PRO 36 2HG PRO 36 -9.776 5.747 -0.374 246 HD2 PRO 36 1HD PRO 36 -8.825 7.899 -1.715 247 HD3 PRO 36 2HD PRO 36 -8.914 7.840 0.057 248 H GLY 37 H GLY 37 -5.100 3.911 -0.658 249 HA2 GLY 37 1HA GLY 37 -3.740 4.452 -3.103 250 HA3 GLY 37 2HA GLY 37 -3.744 2.925 -2.235 251 H CYS 38 H CYS 38 -4.892 4.620 -4.937 252 HA CYS 38 HA CYS 38 -7.282 3.441 -5.592 253 HB2 CYS 38 1HB CYS 38 -6.544 3.704 -7.993 254 HB3 CYS 38 2HB CYS 38 -6.410 5.154 -7.004 255 H THR 39 H THR 39 -4.049 2.084 -5.842 256 HA THR 39 HA THR 39 -5.128 -0.389 -6.980 257 HB THR 39 HB THR 39 -2.677 -1.050 -7.096 258 HG1 THR 39 HG1 THR 39 -1.358 1.032 -7.112 259 HG21 THR 39 3HG2 THR 39 -3.920 1.194 -8.627 260 HG22 THR 39 1HG2 THR 39 -3.534 -0.444 -9.152 261 HG23 THR 39 2HG2 THR 39 -2.247 0.746 -8.956 262 H LEU 40 H LEU 40 -4.643 -2.440 -6.036 263 HA LEU 40 HA LEU 40 -3.563 -2.559 -3.364 264 HB2 LEU 40 1HB LEU 40 -5.456 -3.144 -2.186 265 HB3 LEU 40 2HB LEU 40 -6.045 -1.862 -3.242 266 HG LEU 40 HG LEU 40 -6.372 -4.781 -3.897 267 HD11 LEU 40 1HD1 LEU 40 -7.868 -3.080 -2.010 268 HD12 LEU 40 2HD1 LEU 40 -7.686 -4.833 -2.065 269 HD13 LEU 40 3HD1 LEU 40 -8.834 -4.032 -3.137 270 HD21 LEU 40 3HD2 LEU 40 -7.656 -2.240 -4.885 271 HD22 LEU 40 1HD2 LEU 40 -8.241 -3.858 -5.275 272 HD23 LEU 40 2HD2 LEU 40 -6.633 -3.353 -5.795 273 H TRP 41 H TRP 41 -3.900 -4.906 -2.491 274 HA TRP 41 HA TRP 41 -2.508 -6.683 -3.986 275 HB2 TRP 41 1HB TRP 41 -3.169 -8.366 -2.495 276 HB3 TRP 41 2HB TRP 41 -3.377 -6.887 -1.562 277 HD1 TRP 41 HD1 TRP 41 -5.578 -9.248 -3.723 278 HE1 TRP 41 HE1 TRP 41 -7.922 -9.331 -2.661 279 HE3 TRP 41 HE3 TRP 41 -4.867 -5.899 0.073 280 HZ2 TRP 41 HZ2 TRP 41 -9.288 -8.133 -0.501 281 HZ3 TRP 41 HZ3 TRP 41 -6.743 -5.422 1.593 282 HH2 TRP 41 HH2 TRP 41 -8.907 -6.517 1.309 283 H GLU 42 H GLU 42 -2.907 -8.280 -5.486 284 HA GLU 42 HA GLU 42 -5.632 -8.550 -6.522 285 HB2 GLU 42 1HB GLU 42 -3.220 -7.664 -8.076 286 HB3 GLU 42 2HB GLU 42 -4.537 -8.514 -8.872 287 HG2 GLU 42 1HG GLU 42 -4.999 -6.048 -7.232 288 HG3 GLU 42 2HG GLU 42 -4.565 -5.975 -8.939 289 H ALA 43 H ALA 43 -6.101 -10.637 -6.469 290 HA ALA 43 HA ALA 43 -4.090 -12.661 -6.299 291 HB1 ALA 43 3HB ALA 43 -6.960 -12.487 -5.966 292 HB2 ALA 43 1HB ALA 43 -6.485 -13.951 -6.825 293 HB3 ALA 43 2HB ALA 43 -5.805 -13.602 -5.236 294 H TYR 44 H TYR 44 -6.605 -11.950 -8.728 295 HA TYR 44 HA TYR 44 -4.888 -13.254 -10.736 296 HB2 TYR 44 1HB TYR 44 -7.806 -13.576 -10.196 297 HB3 TYR 44 2HB TYR 44 -7.252 -13.663 -11.865 298 HD1 TYR 44 HD1 TYR 44 -6.301 -15.036 -8.515 299 HD2 TYR 44 HD2 TYR 44 -6.739 -15.753 -12.687 300 HE1 TYR 44 HE1 TYR 44 -5.661 -17.387 -8.172 301 HE2 TYR 44 HE2 TYR 44 -6.101 -18.105 -12.355 302 HH TYR 44 HH TYR 44 -4.531 -19.288 -10.129 303 H SER 45 H SER 45 -4.309 -11.974 -12.355 304 HA SER 45 HA SER 45 -5.592 -9.375 -12.643 305 HB2 SER 45 1HB SER 45 -3.085 -10.539 -13.876 306 HB3 SER 45 2HB SER 45 -3.683 -8.913 -14.204 307 HG SER 45 HG SER 45 -2.918 -9.950 -11.673 308 H GLY 46 H GLY 46 -6.784 -8.737 -14.360 309 HA2 GLY 46 1HA GLY 46 -6.772 -10.144 -16.862 310 HA3 GLY 46 2HA GLY 46 -8.210 -10.483 -15.909 311 HA PRO 47 HA PRO 47 -8.263 -6.220 -18.180 312 HB2 PRO 47 1HB PRO 47 -9.121 -6.913 -20.661 313 HB3 PRO 47 2HB PRO 47 -7.410 -6.760 -20.243 314 HG2 PRO 47 1HG PRO 47 -9.098 -9.224 -20.442 315 HG3 PRO 47 2HG PRO 47 -7.444 -8.951 -21.020 316 HD2 PRO 47 1HD PRO 47 -7.985 -10.274 -18.720 317 HD3 PRO 47 2HD PRO 47 -6.526 -9.285 -18.932 318 H SER 48 H SER 48 -10.025 -6.046 -16.698 319 HA SER 48 HA SER 48 -12.596 -7.140 -17.541 320 HB2 SER 48 1HB SER 48 -11.780 -7.203 -15.127 321 HB3 SER 48 2HB SER 48 -12.064 -5.463 -15.087 322 HG SER 48 HG SER 48 -13.970 -6.203 -14.455 323 H SER 49 H SER 49 -14.380 -5.890 -18.054 324 HA SER 49 HA SER 49 -14.163 -3.001 -18.106 325 HB2 SER 49 1HB SER 49 -14.307 -4.660 -20.625 326 HB3 SER 49 2HB SER 49 -14.798 -2.966 -20.576 327 HG SER 49 HG SER 49 -12.701 -2.419 -19.962 328 H GLY 50 H GLY 50 -16.035 -2.312 -17.324 329 HA2 GLY 50 1HA GLY 50 -18.533 -3.189 -18.454 330 HA3 GLY 50 2HA GLY 50 -18.292 -3.742 -16.803 Start of MODEL 17 1 H1 GLY 1 H GLY 1 16.546 -1.345 27.292 2 HA2 GLY 1 1HA GLY 1 13.888 -0.807 26.125 3 HA3 GLY 1 2HA GLY 1 15.342 -0.741 25.139 4 H SER 2 H SER 2 12.890 -2.478 25.072 5 HA SER 2 HA SER 2 13.551 -5.099 25.842 6 HB2 SER 2 1HB SER 2 11.673 -5.798 24.582 7 HB3 SER 2 2HB SER 2 11.264 -4.177 25.142 8 HG SER 2 HG SER 2 12.118 -3.471 23.032 9 H SER 3 H SER 3 14.154 -6.905 24.521 10 HA SER 3 HA SER 3 16.456 -6.524 23.020 11 HB2 SER 3 1HB SER 3 14.562 -8.873 22.790 12 HB3 SER 3 2HB SER 3 16.281 -8.862 22.398 13 HG SER 3 HG SER 3 15.037 -8.729 24.923 14 H GLY 4 H GLY 4 16.428 -5.179 21.299 15 HA2 GLY 4 1HA GLY 4 16.203 -4.744 19.028 16 HA3 GLY 4 2HA GLY 4 15.099 -6.106 18.905 17 H SER 5 H SER 5 15.255 -2.921 18.435 18 HA SER 5 HA SER 5 12.842 -2.030 19.690 19 HB2 SER 5 1HB SER 5 13.135 -0.009 18.285 20 HB3 SER 5 2HB SER 5 14.611 -0.436 19.152 21 HG SER 5 HG SER 5 14.275 -1.507 16.604 22 H SER 6 H SER 6 11.013 -3.050 19.120 23 HA SER 6 HA SER 6 10.511 -3.681 16.315 24 HB2 SER 6 1HB SER 6 9.362 -4.555 18.921 25 HB3 SER 6 2HB SER 6 8.303 -4.593 17.512 26 HG SER 6 HG SER 6 9.563 -6.085 16.580 27 H GLY 7 H GLY 7 10.114 -1.668 15.405 28 HA2 GLY 7 1HA GLY 7 8.276 0.203 16.540 29 HA3 GLY 7 2HA GLY 7 8.957 0.266 14.921 30 H ASN 8 H ASN 8 7.174 0.661 13.720 31 HA ASN 8 HA ASN 8 4.927 -1.225 13.982 32 HB2 ASN 8 1HB ASN 8 4.201 1.033 14.417 33 HB3 ASN 8 2HB ASN 8 4.986 1.617 12.951 34 HD21 ASN 8 1HD2 ASN 8 2.225 0.076 14.295 35 HD22 ASN 8 2HD2 ASN 8 1.290 -0.002 12.844 36 HA PRO 9 HA PRO 9 6.948 -2.269 9.968 37 HB2 PRO 9 1HB PRO 9 6.511 -4.938 10.199 38 HB3 PRO 9 2HB PRO 9 7.912 -4.129 10.911 39 HG2 PRO 9 1HG PRO 9 5.346 -4.965 12.207 40 HG3 PRO 9 2HG PRO 9 7.006 -5.118 12.812 41 HD2 PRO 9 1HD PRO 9 5.333 -3.153 13.630 42 HD3 PRO 9 2HD PRO 9 7.089 -2.922 13.507 43 H HIS 10 H HIS 10 5.517 -1.583 8.466 44 HA HIS 10 HA HIS 10 2.768 -2.401 8.454 45 HB2 HIS 10 1HB HIS 10 2.546 -1.034 6.487 46 HB3 HIS 10 2HB HIS 10 3.574 -0.176 7.631 47 HD2 HIS 10 HD2 HIS 10 6.234 0.172 6.820 48 HE1 HIS 10 HE1 HIS 10 5.679 -1.399 2.918 49 HE2 HIS 10 HE2 HIS 10 7.271 -0.235 4.485 50 H LEU 11 H LEU 11 1.726 -3.759 7.004 51 HA LEU 11 HA LEU 11 3.290 -5.229 5.047 52 HB2 LEU 11 1HB LEU 11 3.717 -6.802 6.621 53 HB3 LEU 11 2HB LEU 11 2.315 -6.363 7.595 54 HG LEU 11 HG LEU 11 1.840 -7.754 5.009 55 HD11 LEU 11 1HD1 LEU 11 2.414 -9.416 7.411 56 HD12 LEU 11 2HD1 LEU 11 3.761 -8.857 6.420 57 HD13 LEU 11 3HD1 LEU 11 2.485 -9.838 5.700 58 HD21 LEU 11 3HD2 LEU 11 0.528 -7.458 7.667 59 HD22 LEU 11 1HD2 LEU 11 0.191 -8.898 6.705 60 HD23 LEU 11 2HD2 LEU 11 -0.151 -7.298 6.047 61 H LEU 12 H LEU 12 2.108 -5.745 3.300 62 HA LEU 12 HA LEU 12 0.346 -5.920 1.875 63 HB2 LEU 12 1HB LEU 12 -1.095 -6.592 4.433 64 HB3 LEU 12 2HB LEU 12 -1.817 -6.722 2.831 65 HG LEU 12 HG LEU 12 0.702 -8.211 3.429 66 HD11 LEU 12 1HD1 LEU 12 -0.218 -9.612 4.882 67 HD12 LEU 12 2HD1 LEU 12 -1.634 -9.834 3.856 68 HD13 LEU 12 3HD1 LEU 12 -1.581 -8.500 5.008 69 HD21 LEU 12 3HD2 LEU 12 0.111 -8.397 1.193 70 HD22 LEU 12 1HD2 LEU 12 -1.615 -8.452 1.550 71 HD23 LEU 12 2HD2 LEU 12 -0.597 -9.847 1.907 72 H VAL 13 H VAL 13 0.997 -3.377 2.456 73 HA VAL 13 HA VAL 13 -1.527 -1.982 3.019 74 HB VAL 13 HB VAL 13 -0.055 0.072 3.124 75 HG11 VAL 13 1HG1 VAL 13 0.581 -2.106 5.109 76 HG12 VAL 13 2HG1 VAL 13 0.671 -0.365 5.384 77 HG13 VAL 13 3HG1 VAL 13 -0.892 -1.137 5.112 78 HG21 VAL 13 3HG2 VAL 13 2.248 -1.804 3.479 79 HG22 VAL 13 1HG2 VAL 13 1.820 -1.216 1.872 80 HG23 VAL 13 2HG2 VAL 13 2.257 -0.073 3.143 81 H LYS 14 H LYS 14 -2.380 -0.483 1.593 82 HA LYS 14 HA LYS 14 -1.816 -0.952 -1.179 83 HB2 LYS 14 1HB LYS 14 -3.783 0.719 0.340 84 HB3 LYS 14 2HB LYS 14 -3.547 1.013 -1.377 85 HG2 LYS 14 1HG LYS 14 -5.282 -0.469 -1.437 86 HG3 LYS 14 2HG LYS 14 -3.912 -1.577 -1.553 87 HD2 LYS 14 1HD LYS 14 -5.129 -2.602 0.097 88 HD3 LYS 14 2HD LYS 14 -4.098 -1.554 1.073 89 HE2 LYS 14 1HE LYS 14 -6.028 0.157 0.825 90 HE3 LYS 14 2HE LYS 14 -6.995 -1.248 0.378 91 HZ1 LYS 14 3HZ LYS 14 -6.775 -0.462 2.862 92 HZ2 LYS 14 1HZ LYS 14 -5.380 -1.419 2.811 93 HZ3 LYS 14 2HZ LYS 14 -6.888 -2.102 2.466 94 H TYR 15 H TYR 15 -1.292 0.704 -2.736 95 HA TYR 15 HA TYR 15 -0.045 3.131 -1.721 96 HB2 TYR 15 1HB TYR 15 2.053 2.695 -2.972 97 HB3 TYR 15 2HB TYR 15 1.799 1.558 -1.652 98 HD1 TYR 15 HD1 TYR 15 1.472 1.942 -5.332 99 HD2 TYR 15 HD2 TYR 15 1.769 -0.755 -2.054 100 HE1 TYR 15 HE1 TYR 15 1.736 0.068 -6.904 101 HE2 TYR 15 HE2 TYR 15 2.035 -2.635 -3.617 102 HH TYR 15 HH TYR 15 2.318 -2.112 -7.090 103 H HIS 16 H HIS 16 0.954 4.341 -3.737 104 HA HIS 16 HA HIS 16 -1.105 4.258 -5.837 105 HB2 HIS 16 1HB HIS 16 0.447 6.496 -4.592 106 HB3 HIS 16 2HB HIS 16 -0.145 6.672 -6.241 107 HD2 HIS 16 HD2 HIS 16 -1.322 7.474 -2.816 108 HE1 HIS 16 HE1 HIS 16 -4.868 6.809 -5.049 109 HE2 HIS 16 HE2 HIS 16 -3.885 7.798 -2.951 110 H SER 17 H SER 17 -0.512 3.641 -7.803 111 HA SER 17 HA SER 17 2.292 3.218 -8.392 112 HB2 SER 17 1HB SER 17 1.459 2.134 -10.450 113 HB3 SER 17 2HB SER 17 0.672 1.488 -9.010 114 HG SER 17 HG SER 17 -0.564 2.313 -11.065 115 H GLY 18 H GLY 18 1.394 5.957 -8.130 116 HA2 GLY 18 1HA GLY 18 2.574 7.005 -10.526 117 HA3 GLY 18 2HA GLY 18 0.852 7.342 -10.430 118 H PHE 19 H PHE 19 2.950 9.281 -10.454 119 HA PHE 19 HA PHE 19 3.375 10.237 -7.788 120 HB2 PHE 19 1HB PHE 19 3.701 11.826 -10.331 121 HB3 PHE 19 2HB PHE 19 4.518 12.072 -8.792 122 HD1 PHE 19 HD2 PHE 19 5.936 10.000 -7.970 123 HD2 PHE 19 HD1 PHE 19 4.835 10.753 -12.012 124 HE1 PHE 19 HE2 PHE 19 7.803 8.593 -8.737 125 HE2 PHE 19 HE1 PHE 19 6.699 9.346 -12.786 126 HZ PHE 19 HZ PHE 19 8.187 8.266 -11.147 127 H PHE 20 H PHE 20 2.886 12.805 -7.620 128 HA PHE 20 HA PHE 20 0.037 13.179 -8.253 129 HB2 PHE 20 1HB PHE 20 0.268 12.534 -5.890 130 HB3 PHE 20 2HB PHE 20 1.390 13.867 -5.635 131 HD1 PHE 20 HD2 PHE 20 0.567 16.214 -5.846 132 HD2 PHE 20 HD1 PHE 20 -2.060 12.865 -5.832 133 HE1 PHE 20 HE2 PHE 20 -1.319 17.700 -5.310 134 HE2 PHE 20 HE1 PHE 20 -3.950 14.346 -5.296 135 HZ PHE 20 HZ PHE 20 -3.581 16.767 -5.035 136 H VAL 21 H VAL 21 0.193 14.688 -9.820 137 HA VAL 21 HA VAL 21 1.471 17.233 -9.090 138 HB VAL 21 HB VAL 21 2.450 17.534 -11.209 139 HG11 VAL 21 1HG1 VAL 21 4.006 16.221 -10.203 140 HG12 VAL 21 2HG1 VAL 21 2.881 14.883 -9.961 141 HG13 VAL 21 3HG1 VAL 21 3.602 15.156 -11.548 142 HG21 VAL 21 3HG2 VAL 21 2.097 15.540 -12.919 143 HG22 VAL 21 1HG2 VAL 21 0.572 15.392 -12.046 144 HG23 VAL 21 2HG2 VAL 21 0.987 16.909 -12.845 145 H ASP 22 H ASP 22 0.771 18.973 -10.777 146 HA ASP 22 HA ASP 22 -0.983 20.338 -11.329 147 HB2 ASP 22 1HB ASP 22 -0.678 18.584 -13.251 148 HB3 ASP 22 2HB ASP 22 -2.234 17.977 -12.688 149 H GLY 23 H GLY 23 -1.326 19.345 -8.777 150 HA2 GLY 23 1HA GLY 23 -2.912 19.014 -7.148 151 HA3 GLY 23 2HA GLY 23 -3.994 19.866 -8.240 152 H LYS 24 H LYS 24 -2.422 16.736 -8.737 153 HA LYS 24 HA LYS 24 -4.672 15.159 -8.066 154 HB2 LYS 24 1HB LYS 24 -5.529 14.562 -10.205 155 HB3 LYS 24 2HB LYS 24 -5.501 16.320 -10.147 156 HG2 LYS 24 1HG LYS 24 -3.611 16.431 -11.560 157 HG3 LYS 24 2HG LYS 24 -3.307 14.699 -11.406 158 HD2 LYS 24 1HD LYS 24 -5.696 14.471 -12.425 159 HD3 LYS 24 2HD LYS 24 -5.417 16.125 -12.976 160 HE2 LYS 24 1HE LYS 24 -3.369 13.997 -13.463 161 HE3 LYS 24 2HE LYS 24 -4.776 14.134 -14.516 162 HZ1 LYS 24 3HZ LYS 24 -4.017 16.638 -14.537 163 HZ2 LYS 24 1HZ LYS 24 -3.346 15.503 -15.597 164 HZ3 LYS 24 2HZ LYS 24 -2.509 15.951 -14.197 165 H PHE 25 H PHE 25 -4.426 12.877 -9.065 166 HA PHE 25 HA PHE 25 -1.612 12.157 -8.797 167 HB2 PHE 25 1HB PHE 25 -4.201 10.672 -8.548 168 HB3 PHE 25 2HB PHE 25 -2.718 9.774 -8.857 169 HD1 PHE 25 HD1 PHE 25 -0.704 10.474 -7.266 170 HD2 PHE 25 HD2 PHE 25 -4.835 10.967 -6.368 171 HE1 PHE 25 HE1 PHE 25 -0.172 10.526 -4.864 172 HE2 PHE 25 HE2 PHE 25 -4.310 11.021 -3.965 173 HZ PHE 25 HZ PHE 25 -1.976 10.801 -3.210 174 H LEU 26 H LEU 26 -0.912 10.219 -10.182 175 HA LEU 26 HA LEU 26 -1.658 10.790 -12.971 176 HB2 LEU 26 1HB LEU 26 0.897 9.911 -11.685 177 HB3 LEU 26 2HB LEU 26 0.601 9.596 -13.393 178 HG LEU 26 HG LEU 26 1.977 11.632 -12.896 179 HD11 LEU 26 1HD1 LEU 26 0.979 12.943 -14.609 180 HD12 LEU 26 2HD1 LEU 26 -0.611 12.245 -14.305 181 HD13 LEU 26 3HD1 LEU 26 0.670 11.251 -15.001 182 HD21 LEU 26 3HD2 LEU 26 -0.522 13.080 -12.198 183 HD22 LEU 26 1HD2 LEU 26 1.154 13.452 -11.795 184 HD23 LEU 26 2HD2 LEU 26 0.300 12.177 -10.926 185 H CYS 27 H CYS 27 -1.639 8.401 -10.522 186 HA CYS 27 HA CYS 27 -1.933 6.198 -12.410 187 HB2 CYS 27 1HB CYS 27 -2.140 4.850 -10.241 188 HB3 CYS 27 2HB CYS 27 -0.581 5.594 -10.577 189 H CYS 28 H CYS 28 -3.793 7.952 -9.973 190 HA CYS 28 HA CYS 28 -6.226 6.627 -10.981 191 HB2 CYS 28 1HB CYS 28 -7.135 7.408 -8.651 192 HB3 CYS 28 2HB CYS 28 -6.171 5.939 -8.772 193 H GLN 29 H GLN 29 -4.575 9.582 -10.441 194 HA GLN 29 HA GLN 29 -5.096 11.766 -10.814 195 HB2 GLN 29 1HB GLN 29 -7.235 10.630 -12.620 196 HB3 GLN 29 2HB GLN 29 -6.530 12.238 -12.708 197 HG2 GLN 29 1HG GLN 29 -5.358 11.214 -14.359 198 HG3 GLN 29 2HG GLN 29 -4.298 10.875 -12.992 199 HE21 GLN 29 1HE2 GLN 29 -3.670 9.198 -14.667 200 HE22 GLN 29 2HE2 GLN 29 -4.475 7.673 -14.565 201 H GLN 30 H GLN 30 -6.143 10.888 -8.479 202 HA GLN 30 HA GLN 30 -8.958 11.556 -8.343 203 HB2 GLN 30 1HB GLN 30 -6.918 10.530 -6.417 204 HB3 GLN 30 2HB GLN 30 -8.375 11.287 -5.786 205 HG2 GLN 30 1HG GLN 30 -9.576 9.645 -7.429 206 HG3 GLN 30 2HG GLN 30 -8.062 8.749 -7.308 207 HE21 GLN 30 1HE2 GLN 30 -7.709 7.513 -5.571 208 HE22 GLN 30 2HE2 GLN 30 -8.746 7.424 -4.193 209 H SER 31 H SER 31 -9.714 13.537 -8.048 210 HA SER 31 HA SER 31 -8.260 15.847 -7.970 211 HB2 SER 31 1HB SER 31 -10.814 15.500 -8.219 212 HB3 SER 31 2HB SER 31 -10.859 15.659 -6.464 213 HG SER 31 HG SER 31 -9.463 17.584 -7.934 214 H CYS 32 H CYS 32 -9.481 14.026 -5.179 215 HA CYS 32 HA CYS 32 -8.482 15.804 -3.216 216 HB2 CYS 32 1HB CYS 32 -8.966 12.846 -2.850 217 HB3 CYS 32 2HB CYS 32 -9.025 14.106 -1.622 218 H LYS 33 H LYS 33 -6.757 15.344 -1.673 219 HA LYS 33 HA LYS 33 -4.431 14.174 -3.030 220 HB2 LYS 33 1HB LYS 33 -4.463 16.600 -2.178 221 HB3 LYS 33 2HB LYS 33 -4.348 15.904 -0.566 222 HG2 LYS 33 1HG LYS 33 -2.288 14.669 -1.446 223 HG3 LYS 33 2HG LYS 33 -2.349 15.804 -2.796 224 HD2 LYS 33 1HD LYS 33 -1.978 17.655 -1.400 225 HD3 LYS 33 2HD LYS 33 -2.374 16.742 0.058 226 HE2 LYS 33 1HE LYS 33 0.006 16.162 -1.697 227 HE3 LYS 33 2HE LYS 33 0.068 17.199 -0.273 228 HZ1 LYS 33 3HZ LYS 33 0.624 14.648 -0.142 229 HZ2 LYS 33 1HZ LYS 33 -1.054 14.516 0.041 230 HZ3 LYS 33 2HZ LYS 33 -0.153 15.445 1.131 231 H ALA 34 H ALA 34 -5.900 14.357 0.211 232 HA ALA 34 HA ALA 34 -4.326 12.115 1.138 233 HB1 ALA 34 3HB ALA 34 -5.400 12.469 3.271 234 HB2 ALA 34 1HB ALA 34 -4.866 14.018 2.618 235 HB3 ALA 34 2HB ALA 34 -6.569 13.567 2.536 236 H ALA 35 H ALA 35 -5.989 11.501 -1.074 237 HA ALA 35 HA ALA 35 -8.333 10.125 -0.119 238 HB1 ALA 35 3HB ALA 35 -7.542 11.116 -2.563 239 HB2 ALA 35 1HB ALA 35 -7.417 9.370 -2.774 240 HB3 ALA 35 2HB ALA 35 -8.944 10.090 -2.264 241 HA PRO 36 HA PRO 36 -6.691 6.138 0.692 242 HB2 PRO 36 1HB PRO 36 -8.564 4.491 -0.380 243 HB3 PRO 36 2HB PRO 36 -8.841 5.432 1.090 244 HG2 PRO 36 1HG PRO 36 -9.692 6.015 -1.720 245 HG3 PRO 36 2HG PRO 36 -10.612 6.186 -0.213 246 HD2 PRO 36 1HD PRO 36 -9.441 8.290 -1.453 247 HD3 PRO 36 2HD PRO 36 -9.620 8.200 0.311 248 H GLY 37 H GLY 37 -5.478 4.466 -0.179 249 HA2 GLY 37 1HA GLY 37 -4.240 4.841 -2.630 250 HA3 GLY 37 2HA GLY 37 -4.258 3.320 -1.750 251 H CYS 38 H CYS 38 -4.787 4.492 -4.673 252 HA CYS 38 HA CYS 38 -7.339 3.412 -5.350 253 HB2 CYS 38 1HB CYS 38 -6.663 3.813 -7.672 254 HB3 CYS 38 2HB CYS 38 -6.309 5.212 -6.663 255 H THR 39 H THR 39 -4.000 2.283 -5.745 256 HA THR 39 HA THR 39 -4.533 -0.069 -7.149 257 HB THR 39 HB THR 39 -2.329 0.279 -5.111 258 HG1 THR 39 HG1 THR 39 -1.142 1.173 -6.832 259 HG21 THR 39 3HG2 THR 39 -1.354 -1.558 -5.991 260 HG22 THR 39 1HG2 THR 39 -1.874 -1.174 -7.632 261 HG23 THR 39 2HG2 THR 39 -2.993 -1.948 -6.510 262 H LEU 40 H LEU 40 -6.277 -1.214 -6.378 263 HA LEU 40 HA LEU 40 -5.768 -2.986 -4.189 264 HB2 LEU 40 1HB LEU 40 -6.514 -1.146 -2.865 265 HB3 LEU 40 2HB LEU 40 -7.893 -0.869 -3.928 266 HG LEU 40 HG LEU 40 -8.772 -3.113 -3.186 267 HD11 LEU 40 1HD1 LEU 40 -6.918 -2.863 -0.855 268 HD12 LEU 40 2HD1 LEU 40 -6.425 -3.747 -2.298 269 HD13 LEU 40 3HD1 LEU 40 -7.854 -4.256 -1.398 270 HD21 LEU 40 3HD2 LEU 40 -8.592 -0.632 -1.620 271 HD22 LEU 40 1HD2 LEU 40 -9.097 -2.059 -0.714 272 HD23 LEU 40 2HD2 LEU 40 -10.006 -1.552 -2.138 273 H TRP 41 H TRP 41 -7.343 -4.681 -4.026 274 HA TRP 41 HA TRP 41 -9.031 -4.902 -6.432 275 HB2 TRP 41 1HB TRP 41 -8.750 -7.413 -6.056 276 HB3 TRP 41 2HB TRP 41 -7.336 -6.537 -6.634 277 HD1 TRP 41 HD1 TRP 41 -5.306 -6.198 -4.894 278 HE1 TRP 41 HE1 TRP 41 -4.651 -7.504 -2.775 279 HE3 TRP 41 HE3 TRP 41 -9.701 -8.680 -4.079 280 HZ2 TRP 41 HZ2 TRP 41 -5.839 -9.343 -0.994 281 HZ3 TRP 41 HZ3 TRP 41 -9.859 -10.194 -2.146 282 HH2 TRP 41 HH2 TRP 41 -7.967 -10.518 -0.637 283 H GLU 42 H GLU 42 -10.991 -6.192 -6.206 284 HA GLU 42 HA GLU 42 -12.015 -6.340 -3.457 285 HB2 GLU 42 1HB GLU 42 -13.453 -5.118 -5.818 286 HB3 GLU 42 2HB GLU 42 -14.195 -5.452 -4.259 287 HG2 GLU 42 1HG GLU 42 -13.693 -3.248 -4.005 288 HG3 GLU 42 2HG GLU 42 -12.223 -3.975 -3.360 289 H ALA 43 H ALA 43 -14.256 -7.495 -3.515 290 HA ALA 43 HA ALA 43 -13.845 -9.977 -5.004 291 HB1 ALA 43 3HB ALA 43 -16.035 -9.675 -3.015 292 HB2 ALA 43 1HB ALA 43 -15.009 -11.066 -3.366 293 HB3 ALA 43 2HB ALA 43 -14.371 -9.710 -2.434 294 H TYR 44 H TYR 44 -14.683 -7.834 -6.573 295 HA TYR 44 HA TYR 44 -17.535 -8.351 -7.049 296 HB2 TYR 44 1HB TYR 44 -15.718 -6.057 -7.679 297 HB3 TYR 44 2HB TYR 44 -17.152 -6.318 -8.666 298 HD1 TYR 44 HD2 TYR 44 -19.411 -6.396 -7.490 299 HD2 TYR 44 HD1 TYR 44 -15.872 -4.976 -5.603 300 HE1 TYR 44 HE2 TYR 44 -20.781 -5.223 -5.816 301 HE2 TYR 44 HE1 TYR 44 -17.231 -3.802 -3.924 302 HH TYR 44 HH TYR 44 -20.709 -4.212 -3.762 303 H SER 45 H SER 45 -18.194 -9.438 -8.791 304 HA SER 45 HA SER 45 -16.162 -10.259 -10.743 305 HB2 SER 45 1HB SER 45 -18.906 -11.445 -10.272 306 HB3 SER 45 2HB SER 45 -17.625 -12.119 -11.280 307 HG SER 45 HG SER 45 -17.008 -11.590 -8.616 308 H GLY 46 H GLY 46 -17.103 -7.668 -11.023 309 HA2 GLY 46 1HA GLY 46 -17.505 -6.562 -13.106 310 HA3 GLY 46 2HA GLY 46 -18.534 -7.906 -13.581 311 HA PRO 47 HA PRO 47 -21.009 -5.111 -10.465 312 HB2 PRO 47 1HB PRO 47 -20.061 -2.580 -10.205 313 HB3 PRO 47 2HB PRO 47 -19.573 -3.904 -9.139 314 HG2 PRO 47 1HG PRO 47 -18.145 -2.754 -11.504 315 HG3 PRO 47 2HG PRO 47 -17.491 -3.231 -9.927 316 HD2 PRO 47 1HD PRO 47 -17.275 -4.796 -12.126 317 HD3 PRO 47 2HD PRO 47 -17.424 -5.465 -10.488 318 H SER 48 H SER 48 -19.340 -3.366 -13.081 319 HA SER 48 HA SER 48 -21.811 -2.062 -13.873 320 HB2 SER 48 1HB SER 48 -19.732 -0.769 -13.933 321 HB3 SER 48 2HB SER 48 -19.032 -1.924 -15.068 322 HG SER 48 HG SER 48 -21.327 -0.317 -15.533 323 H SER 49 H SER 49 -22.592 -2.158 -16.088 324 HA SER 49 HA SER 49 -23.256 -4.650 -16.974 325 HB2 SER 49 1HB SER 49 -23.983 -2.236 -17.775 326 HB3 SER 49 2HB SER 49 -22.803 -2.544 -19.049 327 HG SER 49 HG SER 49 -24.107 -4.705 -19.051 328 H GLY 50 H GLY 50 -22.182 -6.303 -17.818 329 HA2 GLY 50 1HA GLY 50 -20.632 -7.503 -19.026 330 HA3 GLY 50 2HA GLY 50 -20.190 -6.006 -19.832 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -23.434 20.999 3.464 2 HA2 GLY 1 1HA GLY 1 -22.046 19.750 5.008 3 HA3 GLY 1 2HA GLY 1 -21.036 20.220 3.650 4 H SER 2 H SER 2 -19.919 19.643 6.094 5 HA SER 2 HA SER 2 -18.463 22.039 6.615 6 HB2 SER 2 1HB SER 2 -19.042 22.151 9.061 7 HB3 SER 2 2HB SER 2 -20.350 22.637 7.983 8 HG SER 2 HG SER 2 -21.503 21.099 8.805 9 H SER 3 H SER 3 -16.464 21.306 6.807 10 HA SER 3 HA SER 3 -15.993 18.879 8.403 11 HB2 SER 3 1HB SER 3 -15.796 18.275 6.045 12 HB3 SER 3 2HB SER 3 -14.663 19.599 5.779 13 HG SER 3 HG SER 3 -13.536 18.361 7.667 14 H GLY 4 H GLY 4 -15.171 19.816 10.206 15 HA2 GLY 4 1HA GLY 4 -12.907 21.677 9.848 16 HA3 GLY 4 2HA GLY 4 -13.964 21.657 11.251 17 H SER 5 H SER 5 -11.984 19.275 9.478 18 HA SER 5 HA SER 5 -10.921 18.394 12.083 19 HB2 SER 5 1HB SER 5 -12.245 16.628 11.101 20 HB3 SER 5 2HB SER 5 -11.410 16.799 9.558 21 HG SER 5 HG SER 5 -10.340 15.170 10.471 22 H SER 6 H SER 6 -8.715 17.721 12.155 23 HA SER 6 HA SER 6 -7.044 19.235 10.299 24 HB2 SER 6 1HB SER 6 -6.459 17.921 12.959 25 HB3 SER 6 2HB SER 6 -5.224 18.695 11.966 26 HG SER 6 HG SER 6 -6.162 20.640 12.293 27 H GLY 7 H GLY 7 -7.064 15.980 11.766 28 HA2 GLY 7 1HA GLY 7 -5.683 15.014 9.338 29 HA3 GLY 7 2HA GLY 7 -5.356 14.377 10.943 30 H ASN 8 H ASN 8 -6.871 13.707 8.132 31 HA ASN 8 HA ASN 8 -9.304 12.553 9.120 32 HB2 ASN 8 1HB ASN 8 -9.783 12.015 6.914 33 HB3 ASN 8 2HB ASN 8 -8.723 13.406 6.714 34 HD21 ASN 8 1HD2 ASN 8 -6.457 12.971 6.278 35 HD22 ASN 8 2HD2 ASN 8 -6.033 11.559 5.376 36 HA PRO 9 HA PRO 9 -7.759 8.662 10.477 37 HB2 PRO 9 1HB PRO 9 -10.008 7.171 10.191 38 HB3 PRO 9 2HB PRO 9 -9.806 8.366 11.478 39 HG2 PRO 9 1HG PRO 9 -11.262 8.615 8.874 40 HG3 PRO 9 2HG PRO 9 -11.752 9.163 10.487 41 HD2 PRO 9 1HD PRO 9 -10.704 10.837 8.634 42 HD3 PRO 9 2HD PRO 9 -10.445 11.059 10.377 43 H HIS 10 H HIS 10 -6.614 7.099 9.521 44 HA HIS 10 HA HIS 10 -6.719 6.732 6.691 45 HB2 HIS 10 1HB HIS 10 -5.249 4.948 8.622 46 HB3 HIS 10 2HB HIS 10 -4.840 5.317 6.950 47 HD2 HIS 10 HD2 HIS 10 -3.990 8.131 6.632 48 HE1 HIS 10 HE1 HIS 10 -2.578 8.286 10.631 49 HE2 HIS 10 HE2 HIS 10 -2.622 9.442 8.393 50 H LEU 11 H LEU 11 -7.740 5.225 5.519 51 HA LEU 11 HA LEU 11 -8.604 2.728 6.670 52 HB2 LEU 11 1HB LEU 11 -10.540 3.660 7.384 53 HB3 LEU 11 2HB LEU 11 -10.460 4.979 6.218 54 HG LEU 11 HG LEU 11 -11.076 2.259 5.191 55 HD11 LEU 11 1HD1 LEU 11 -13.112 2.044 6.105 56 HD12 LEU 11 2HD1 LEU 11 -13.424 3.779 6.070 57 HD13 LEU 11 3HD1 LEU 11 -12.464 3.082 7.375 58 HD21 LEU 11 3HD2 LEU 11 -12.670 3.722 3.829 59 HD22 LEU 11 1HD2 LEU 11 -10.941 3.911 3.539 60 HD23 LEU 11 2HD2 LEU 11 -11.805 5.094 4.523 61 H LEU 12 H LEU 12 -8.847 1.159 5.150 62 HA LEU 12 HA LEU 12 -8.482 0.135 3.143 63 HB2 LEU 12 1HB LEU 12 -10.346 2.376 2.409 64 HB3 LEU 12 2HB LEU 12 -9.855 1.137 1.255 65 HG LEU 12 HG LEU 12 -11.118 0.347 3.849 66 HD11 LEU 12 1HD1 LEU 12 -12.468 1.545 1.465 67 HD12 LEU 12 2HD1 LEU 12 -12.760 1.833 3.180 68 HD13 LEU 12 3HD1 LEU 12 -13.283 0.321 2.438 69 HD21 LEU 12 3HD2 LEU 12 -11.865 -1.072 1.445 70 HD22 LEU 12 1HD2 LEU 12 -11.132 -1.678 2.930 71 HD23 LEU 12 2HD2 LEU 12 -10.113 -1.021 1.649 72 H VAL 13 H VAL 13 -6.363 1.763 3.826 73 HA VAL 13 HA VAL 13 -5.619 3.091 1.309 74 HB VAL 13 HB VAL 13 -3.723 4.049 2.700 75 HG11 VAL 13 1HG1 VAL 13 -4.963 5.902 3.075 76 HG12 VAL 13 2HG1 VAL 13 -6.185 4.995 2.183 77 HG13 VAL 13 3HG1 VAL 13 -6.216 5.020 3.947 78 HG21 VAL 13 3HG2 VAL 13 -4.450 2.220 4.552 79 HG22 VAL 13 1HG2 VAL 13 -3.553 3.693 4.919 80 HG23 VAL 13 2HG2 VAL 13 -5.300 3.643 5.153 81 H LYS 14 H LYS 14 -3.893 2.424 0.140 82 HA LYS 14 HA LYS 14 -2.251 0.239 1.226 83 HB2 LYS 14 1HB LYS 14 -3.331 0.363 -1.594 84 HB3 LYS 14 2HB LYS 14 -2.315 -0.906 -0.922 85 HG2 LYS 14 1HG LYS 14 -4.026 -1.852 0.244 86 HG3 LYS 14 2HG LYS 14 -4.889 -0.325 0.435 87 HD2 LYS 14 1HD LYS 14 -4.600 -1.438 -2.308 88 HD3 LYS 14 2HD LYS 14 -5.742 -2.219 -1.211 89 HE2 LYS 14 1HE LYS 14 -7.124 -0.399 -1.136 90 HE3 LYS 14 2HE LYS 14 -5.812 0.745 -1.419 91 HZ1 LYS 14 3HZ LYS 14 -6.550 -1.095 -3.579 92 HZ2 LYS 14 1HZ LYS 14 -5.941 0.481 -3.666 93 HZ3 LYS 14 2HZ LYS 14 -7.564 0.222 -3.269 94 H TYR 15 H TYR 15 -2.356 1.970 -1.880 95 HA TYR 15 HA TYR 15 -0.136 3.627 -1.387 96 HB2 TYR 15 1HB TYR 15 1.672 2.517 -2.311 97 HB3 TYR 15 2HB TYR 15 0.841 1.196 -1.498 98 HD1 TYR 15 HD2 TYR 15 -1.123 0.164 -3.127 99 HD2 TYR 15 HD1 TYR 15 2.512 1.984 -4.382 100 HE1 TYR 15 HE2 TYR 15 -1.242 -1.074 -5.249 101 HE2 TYR 15 HE1 TYR 15 2.402 0.752 -6.509 102 HH TYR 15 HH TYR 15 0.856 -1.811 -7.071 103 H HIS 16 H HIS 16 0.853 4.367 -3.600 104 HA HIS 16 HA HIS 16 -1.282 4.437 -5.625 105 HB2 HIS 16 1HB HIS 16 0.169 6.710 -4.330 106 HB3 HIS 16 2HB HIS 16 -0.339 6.869 -6.008 107 HD2 HIS 16 HD2 HIS 16 -1.809 7.085 -2.469 108 HE1 HIS 16 HE1 HIS 16 -5.044 7.357 -5.200 109 HE2 HIS 16 HE2 HIS 16 -4.303 7.678 -2.815 110 H SER 17 H SER 17 -0.559 3.591 -7.452 111 HA SER 17 HA SER 17 2.277 3.393 -7.979 112 HB2 SER 17 1HB SER 17 0.367 1.652 -8.488 113 HB3 SER 17 2HB SER 17 0.199 2.582 -9.976 114 HG SER 17 HG SER 17 2.259 2.063 -10.538 115 H GLY 18 H GLY 18 1.472 6.049 -7.910 116 HA2 GLY 18 1HA GLY 18 2.335 6.909 -10.523 117 HA3 GLY 18 2HA GLY 18 0.673 7.348 -10.159 118 H PHE 19 H PHE 19 2.340 9.368 -10.662 119 HA PHE 19 HA PHE 19 3.338 10.379 -8.106 120 HB2 PHE 19 1HB PHE 19 3.638 11.386 -10.939 121 HB3 PHE 19 2HB PHE 19 4.253 12.246 -9.531 122 HD1 PHE 19 HD2 PHE 19 5.794 10.815 -7.953 123 HD2 PHE 19 HD1 PHE 19 5.034 9.940 -12.049 124 HE1 PHE 19 HE2 PHE 19 7.867 9.494 -8.052 125 HE2 PHE 19 HE1 PHE 19 7.106 8.616 -12.154 126 HZ PHE 19 HZ PHE 19 8.526 8.394 -10.154 127 H PHE 20 H PHE 20 2.926 12.744 -7.664 128 HA PHE 20 HA PHE 20 0.087 13.327 -8.176 129 HB2 PHE 20 1HB PHE 20 0.765 12.926 -5.796 130 HB3 PHE 20 2HB PHE 20 1.795 14.349 -5.900 131 HD1 PHE 20 HD1 PHE 20 -1.689 13.162 -5.948 132 HD2 PHE 20 HD2 PHE 20 0.895 16.537 -5.748 133 HE1 PHE 20 HE1 PHE 20 -3.598 14.581 -5.319 134 HE2 PHE 20 HE2 PHE 20 -1.010 17.962 -5.118 135 HZ PHE 20 HZ PHE 20 -3.259 16.985 -4.902 136 H VAL 21 H VAL 21 -0.072 14.734 -9.805 137 HA VAL 21 HA VAL 21 1.515 17.202 -9.646 138 HB VAL 21 HB VAL 21 0.944 15.728 -12.220 139 HG11 VAL 21 1HG1 VAL 21 1.475 18.427 -11.755 140 HG12 VAL 21 2HG1 VAL 21 3.001 17.743 -12.320 141 HG13 VAL 21 3HG1 VAL 21 1.544 17.577 -13.299 142 HG21 VAL 21 3HG2 VAL 21 3.444 15.441 -12.264 143 HG22 VAL 21 1HG2 VAL 21 3.455 15.943 -10.573 144 HG23 VAL 21 2HG2 VAL 21 2.596 14.478 -11.054 145 H ASP 22 H ASP 22 0.471 19.066 -10.267 146 HA ASP 22 HA ASP 22 -1.274 20.479 -10.635 147 HB2 ASP 22 1HB ASP 22 -2.028 18.142 -12.366 148 HB3 ASP 22 2HB ASP 22 -3.114 19.520 -12.202 149 H GLY 23 H GLY 23 -1.307 19.083 -8.231 150 HA2 GLY 23 1HA GLY 23 -2.686 18.562 -6.471 151 HA3 GLY 23 2HA GLY 23 -3.885 19.547 -7.295 152 H LYS 24 H LYS 24 -2.419 16.505 -8.362 153 HA LYS 24 HA LYS 24 -4.597 14.853 -7.646 154 HB2 LYS 24 1HB LYS 24 -5.510 14.446 -9.917 155 HB3 LYS 24 2HB LYS 24 -5.825 16.075 -9.332 156 HG2 LYS 24 1HG LYS 24 -4.394 17.045 -10.840 157 HG3 LYS 24 2HG LYS 24 -3.420 15.583 -11.019 158 HD2 LYS 24 1HD LYS 24 -4.570 15.656 -13.027 159 HD3 LYS 24 2HD LYS 24 -5.582 14.583 -12.058 160 HE2 LYS 24 1HE LYS 24 -7.102 16.055 -13.043 161 HE3 LYS 24 2HE LYS 24 -6.877 16.703 -11.419 162 HZ1 LYS 24 3HZ LYS 24 -6.093 17.819 -13.985 163 HZ2 LYS 24 1HZ LYS 24 -4.985 18.023 -12.723 164 HZ3 LYS 24 2HZ LYS 24 -6.567 18.602 -12.562 165 H PHE 25 H PHE 25 -4.129 12.710 -7.957 166 HA PHE 25 HA PHE 25 -1.443 12.013 -8.467 167 HB2 PHE 25 1HB PHE 25 -3.957 10.378 -8.155 168 HB3 PHE 25 2HB PHE 25 -2.389 9.634 -8.450 169 HD1 PHE 25 HD1 PHE 25 -0.489 10.277 -6.813 170 HD2 PHE 25 HD2 PHE 25 -4.630 10.817 -5.991 171 HE1 PHE 25 HE1 PHE 25 0.002 10.351 -4.403 172 HE2 PHE 25 HE2 PHE 25 -4.146 10.894 -3.581 173 HZ PHE 25 HZ PHE 25 -1.827 10.662 -2.784 174 H LEU 26 H LEU 26 -0.734 10.395 -10.088 175 HA LEU 26 HA LEU 26 -1.914 11.025 -12.704 176 HB2 LEU 26 1HB LEU 26 0.840 10.380 -11.776 177 HB3 LEU 26 2HB LEU 26 0.385 9.962 -13.426 178 HG LEU 26 HG LEU 26 1.590 12.157 -13.120 179 HD11 LEU 26 1HD1 LEU 26 0.475 11.775 -15.169 180 HD12 LEU 26 2HD1 LEU 26 -0.011 13.383 -14.635 181 HD13 LEU 26 3HD1 LEU 26 -1.111 12.019 -14.435 182 HD21 LEU 26 3HD2 LEU 26 -0.112 14.024 -12.510 183 HD22 LEU 26 1HD2 LEU 26 0.719 13.149 -11.224 184 HD23 LEU 26 2HD2 LEU 26 -0.943 12.733 -11.641 185 H CYS 27 H CYS 27 -1.838 8.611 -10.428 186 HA CYS 27 HA CYS 27 -1.875 6.406 -12.337 187 HB2 CYS 27 1HB CYS 27 -2.263 5.069 -10.155 188 HB3 CYS 27 2HB CYS 27 -0.681 5.796 -10.421 189 H CYS 28 H CYS 28 -3.994 7.772 -9.819 190 HA CYS 28 HA CYS 28 -6.269 6.377 -11.040 191 HB2 CYS 28 1HB CYS 28 -7.421 7.285 -8.884 192 HB3 CYS 28 2HB CYS 28 -6.318 5.918 -8.762 193 H GLN 29 H GLN 29 -4.813 9.442 -10.814 194 HA GLN 29 HA GLN 29 -5.420 11.533 -11.474 195 HB2 GLN 29 1HB GLN 29 -7.001 9.722 -13.237 196 HB3 GLN 29 2HB GLN 29 -7.369 11.441 -13.271 197 HG2 GLN 29 1HG GLN 29 -4.529 10.616 -13.517 198 HG3 GLN 29 2HG GLN 29 -5.599 10.358 -14.895 199 HE21 GLN 29 1HE2 GLN 29 -3.728 12.586 -13.170 200 HE22 GLN 29 2HE2 GLN 29 -4.173 14.008 -14.044 201 H GLN 30 H GLN 30 -6.425 11.016 -9.058 202 HA GLN 30 HA GLN 30 -9.277 11.655 -9.086 203 HB2 GLN 30 1HB GLN 30 -7.410 10.945 -6.819 204 HB3 GLN 30 2HB GLN 30 -9.119 11.308 -6.622 205 HG2 GLN 30 1HG GLN 30 -9.766 9.377 -7.817 206 HG3 GLN 30 2HG GLN 30 -8.122 9.098 -8.392 207 HE21 GLN 30 1HE2 GLN 30 -9.914 7.329 -6.921 208 HE22 GLN 30 2HE2 GLN 30 -9.074 6.891 -5.476 209 H SER 31 H SER 31 -10.014 13.303 -7.439 210 HA SER 31 HA SER 31 -8.333 15.692 -7.715 211 HB2 SER 31 1HB SER 31 -11.296 15.321 -7.279 212 HB3 SER 31 2HB SER 31 -10.506 16.885 -7.087 213 HG SER 31 HG SER 31 -9.993 15.473 -9.432 214 H CYS 32 H CYS 32 -7.566 13.881 -5.752 215 HA CYS 32 HA CYS 32 -7.867 15.540 -3.381 216 HB2 CYS 32 1HB CYS 32 -8.886 12.746 -3.621 217 HB3 CYS 32 2HB CYS 32 -8.135 13.227 -2.103 218 H LYS 33 H LYS 33 -6.063 15.592 -2.142 219 HA LYS 33 HA LYS 33 -3.697 14.319 -3.191 220 HB2 LYS 33 1HB LYS 33 -3.875 16.699 -2.238 221 HB3 LYS 33 2HB LYS 33 -3.853 15.934 -0.654 222 HG2 LYS 33 1HG LYS 33 -1.691 14.821 -1.392 223 HG3 LYS 33 2HG LYS 33 -1.697 15.961 -2.740 224 HD2 LYS 33 1HD LYS 33 -2.063 17.720 -0.815 225 HD3 LYS 33 2HD LYS 33 -1.327 16.458 0.177 226 HE2 LYS 33 1HE LYS 33 0.439 17.860 -0.544 227 HE3 LYS 33 2HE LYS 33 0.545 16.391 -1.512 228 HZ1 LYS 33 3HZ LYS 33 0.113 17.506 -3.386 229 HZ2 LYS 33 1HZ LYS 33 0.552 18.886 -2.511 230 HZ3 LYS 33 2HZ LYS 33 -1.080 18.473 -2.677 231 H ALA 34 H ALA 34 -5.595 14.161 -0.201 232 HA ALA 34 HA ALA 34 -3.946 11.969 0.785 233 HB1 ALA 34 3HB ALA 34 -4.509 12.729 2.791 234 HB2 ALA 34 1HB ALA 34 -5.433 14.014 2.012 235 HB3 ALA 34 2HB ALA 34 -6.221 12.495 2.441 236 H ALA 35 H ALA 35 -5.346 11.372 -1.564 237 HA ALA 35 HA ALA 35 -7.781 9.983 -0.961 238 HB1 ALA 35 3HB ALA 35 -6.631 9.063 -3.401 239 HB2 ALA 35 1HB ALA 35 -8.032 10.108 -3.160 240 HB3 ALA 35 2HB ALA 35 -6.419 10.810 -3.293 241 HA PRO 36 HA PRO 36 -6.170 6.123 0.392 242 HB2 PRO 36 1HB PRO 36 -8.176 4.474 -0.401 243 HB3 PRO 36 2HB PRO 36 -8.329 5.583 0.967 244 HG2 PRO 36 1HG PRO 36 -9.297 5.902 -1.847 245 HG3 PRO 36 2HG PRO 36 -10.126 6.287 -0.328 246 HD2 PRO 36 1HD PRO 36 -8.920 8.176 -1.849 247 HD3 PRO 36 2HD PRO 36 -9.010 8.288 -0.080 248 H GLY 37 H GLY 37 -5.346 4.090 -0.348 249 HA2 GLY 37 1HA GLY 37 -3.967 4.122 -2.730 250 HA3 GLY 37 2HA GLY 37 -4.379 2.652 -1.860 251 H CYS 38 H CYS 38 -4.724 4.297 -4.731 252 HA CYS 38 HA CYS 38 -7.343 3.393 -5.466 253 HB2 CYS 38 1HB CYS 38 -6.861 4.291 -7.640 254 HB3 CYS 38 2HB CYS 38 -6.219 5.411 -6.442 255 H THR 39 H THR 39 -4.080 2.179 -5.781 256 HA THR 39 HA THR 39 -4.977 -0.033 -7.470 257 HB THR 39 HB THR 39 -2.159 0.326 -6.490 258 HG1 THR 39 HG1 THR 39 -2.098 2.144 -7.565 259 HG21 THR 39 3HG2 THR 39 -3.325 -0.814 -9.033 260 HG22 THR 39 1HG2 THR 39 -2.741 -1.751 -7.659 261 HG23 THR 39 2HG2 THR 39 -1.615 -0.775 -8.604 262 H LEU 40 H LEU 40 -4.925 -2.166 -6.847 263 HA LEU 40 HA LEU 40 -4.774 -2.622 -3.957 264 HB2 LEU 40 1HB LEU 40 -6.211 -3.910 -6.214 265 HB3 LEU 40 2HB LEU 40 -5.767 -4.920 -4.840 266 HG LEU 40 HG LEU 40 -7.441 -2.416 -4.658 267 HD11 LEU 40 1HD1 LEU 40 -9.231 -3.607 -5.194 268 HD12 LEU 40 2HD1 LEU 40 -8.814 -4.849 -4.015 269 HD13 LEU 40 3HD1 LEU 40 -8.166 -4.935 -5.652 270 HD21 LEU 40 3HD2 LEU 40 -7.488 -2.697 -2.429 271 HD22 LEU 40 1HD2 LEU 40 -5.987 -3.587 -2.691 272 HD23 LEU 40 2HD2 LEU 40 -7.514 -4.458 -2.546 273 H TRP 41 H TRP 41 -3.749 -4.557 -3.148 274 HA TRP 41 HA TRP 41 -1.136 -4.898 -3.874 275 HB2 TRP 41 1HB TRP 41 -2.802 -7.161 -2.772 276 HB3 TRP 41 2HB TRP 41 -1.090 -6.848 -2.506 277 HD1 TRP 41 HD1 TRP 41 -4.053 -6.750 -0.588 278 HE1 TRP 41 HE1 TRP 41 -3.995 -4.971 1.272 279 HE3 TRP 41 HE3 TRP 41 -0.156 -3.916 -2.298 280 HZ2 TRP 41 HZ2 TRP 41 -2.496 -2.670 1.926 281 HZ3 TRP 41 HZ3 TRP 41 0.526 -1.942 -0.996 282 HH2 TRP 41 HH2 TRP 41 -0.621 -1.334 1.072 283 H GLU 42 H GLU 42 -3.887 -6.893 -4.927 284 HA GLU 42 HA GLU 42 -2.232 -8.440 -6.711 285 HB2 GLU 42 1HB GLU 42 -4.339 -9.527 -7.366 286 HB3 GLU 42 2HB GLU 42 -4.134 -9.498 -5.620 287 HG2 GLU 42 1HG GLU 42 -6.303 -8.863 -5.739 288 HG3 GLU 42 2HG GLU 42 -5.543 -7.276 -5.850 289 H ALA 43 H ALA 43 -1.992 -5.745 -7.299 290 HA ALA 43 HA ALA 43 -3.570 -4.505 -9.103 291 HB1 ALA 43 3HB ALA 43 -0.679 -4.666 -9.798 292 HB2 ALA 43 1HB ALA 43 -1.753 -3.267 -9.744 293 HB3 ALA 43 2HB ALA 43 -1.145 -3.971 -8.246 294 H TYR 44 H TYR 44 -4.455 -4.975 -11.001 295 HA TYR 44 HA TYR 44 -3.707 -7.405 -12.377 296 HB2 TYR 44 1HB TYR 44 -6.098 -6.534 -12.010 297 HB3 TYR 44 2HB TYR 44 -5.757 -5.409 -13.320 298 HD1 TYR 44 HD1 TYR 44 -4.903 -9.018 -12.864 299 HD2 TYR 44 HD2 TYR 44 -6.947 -6.094 -15.182 300 HE1 TYR 44 HE1 TYR 44 -5.513 -10.750 -14.500 301 HE2 TYR 44 HE2 TYR 44 -7.564 -7.817 -16.824 302 HH TYR 44 HH TYR 44 -6.411 -11.152 -16.507 303 H SER 45 H SER 45 -4.207 -4.047 -13.479 304 HA SER 45 HA SER 45 -3.099 -4.213 -15.970 305 HB2 SER 45 1HB SER 45 -3.156 -1.977 -13.963 306 HB3 SER 45 2HB SER 45 -2.356 -1.760 -15.520 307 HG SER 45 HG SER 45 -4.495 -1.112 -15.699 308 H GLY 46 H GLY 46 -1.290 -5.390 -16.326 309 HA2 GLY 46 1HA GLY 46 1.222 -4.247 -15.416 310 HA3 GLY 46 2HA GLY 46 0.899 -5.884 -14.867 311 HA PRO 47 HA PRO 47 3.164 -6.240 -18.862 312 HB2 PRO 47 1HB PRO 47 4.689 -8.338 -18.060 313 HB3 PRO 47 2HB PRO 47 5.127 -6.655 -17.743 314 HG2 PRO 47 1HG PRO 47 3.825 -8.647 -15.928 315 HG3 PRO 47 2HG PRO 47 5.117 -7.487 -15.571 316 HD2 PRO 47 1HD PRO 47 2.534 -7.043 -14.893 317 HD3 PRO 47 2HD PRO 47 3.645 -5.729 -15.330 318 H SER 48 H SER 48 0.834 -7.917 -17.239 319 HA SER 48 HA SER 48 0.662 -10.474 -17.975 320 HB2 SER 48 1HB SER 48 -1.747 -10.247 -18.189 321 HB3 SER 48 2HB SER 48 -1.179 -9.176 -16.908 322 HG SER 48 HG SER 48 -1.840 -7.523 -18.023 323 H SER 49 H SER 49 0.702 -11.691 -19.756 324 HA SER 49 HA SER 49 0.600 -10.316 -22.358 325 HB2 SER 49 1HB SER 49 2.017 -12.107 -23.227 326 HB3 SER 49 2HB SER 49 2.777 -11.364 -21.820 327 HG SER 49 HG SER 49 2.106 -13.114 -20.579 328 H GLY 50 H GLY 50 -0.301 -13.319 -20.688 329 HA2 GLY 50 1HA GLY 50 -2.529 -14.204 -20.921 330 HA3 GLY 50 2HA GLY 50 -2.569 -13.553 -22.552 Start of MODEL 19 1 H1 GLY 1 H GLY 1 26.624 4.628 0.178 2 HA2 GLY 1 1HA GLY 1 23.837 4.603 -0.807 3 HA3 GLY 1 2HA GLY 1 24.995 3.352 -1.233 4 H SER 2 H SER 2 25.563 1.787 0.287 5 HA SER 2 HA SER 2 24.900 0.220 1.834 6 HB2 SER 2 1HB SER 2 26.439 1.643 3.105 7 HB3 SER 2 2HB SER 2 25.105 2.704 3.555 8 HG SER 2 HG SER 2 24.219 1.049 4.757 9 H SER 3 H SER 3 22.679 1.146 0.437 10 HA SER 3 HA SER 3 20.564 2.097 1.995 11 HB2 SER 3 1HB SER 3 20.724 1.758 -0.574 12 HB3 SER 3 2HB SER 3 20.139 0.129 -0.241 13 HG SER 3 HG SER 3 18.449 1.389 1.033 14 H GLY 4 H GLY 4 21.338 -1.273 1.110 15 HA2 GLY 4 1HA GLY 4 21.189 -3.133 2.542 16 HA3 GLY 4 2HA GLY 4 20.278 -2.154 3.682 17 H SER 5 H SER 5 19.602 -4.791 2.871 18 HA SER 5 HA SER 5 17.661 -4.901 0.854 19 HB2 SER 5 1HB SER 5 16.996 -7.008 1.807 20 HB3 SER 5 2HB SER 5 18.745 -6.873 1.982 21 HG SER 5 HG SER 5 18.254 -7.360 3.986 22 H SER 6 H SER 6 17.353 -4.277 4.330 23 HA SER 6 HA SER 6 14.503 -3.984 4.216 24 HB2 SER 6 1HB SER 6 14.773 -3.144 6.565 25 HB3 SER 6 2HB SER 6 15.491 -4.729 6.286 26 HG SER 6 HG SER 6 17.102 -2.476 5.927 27 H GLY 7 H GLY 7 13.736 -2.355 3.001 28 HA2 GLY 7 1HA GLY 7 15.050 0.258 3.091 29 HA3 GLY 7 2HA GLY 7 13.796 -0.234 1.963 30 H ASN 8 H ASN 8 11.957 0.819 2.241 31 HA ASN 8 HA ASN 8 11.320 1.875 4.902 32 HB2 ASN 8 1HB ASN 8 10.631 2.702 2.114 33 HB3 ASN 8 2HB ASN 8 9.512 3.110 3.412 34 HD21 ASN 8 1HD2 ASN 8 12.411 3.892 1.840 35 HD22 ASN 8 2HD2 ASN 8 12.908 5.179 2.880 36 HA PRO 9 HA PRO 9 8.069 -1.039 5.462 37 HB2 PRO 9 1HB PRO 9 6.530 0.357 7.209 38 HB3 PRO 9 2HB PRO 9 8.067 -0.387 7.666 39 HG2 PRO 9 1HG PRO 9 7.479 2.461 6.958 40 HG3 PRO 9 2HG PRO 9 8.492 1.819 8.264 41 HD2 PRO 9 1HD PRO 9 9.527 2.761 5.945 42 HD3 PRO 9 2HD PRO 9 10.279 1.437 6.860 43 H HIS 10 H HIS 10 5.438 -0.587 5.932 44 HA HIS 10 HA HIS 10 3.505 -0.452 4.709 45 HB2 HIS 10 1HB HIS 10 4.579 2.358 4.385 46 HB3 HIS 10 2HB HIS 10 2.913 1.875 4.077 47 HD2 HIS 10 HD2 HIS 10 4.444 0.353 7.266 48 HE1 HIS 10 HE1 HIS 10 1.987 3.602 8.448 49 HE2 HIS 10 HE2 HIS 10 3.392 1.665 9.231 50 H LEU 11 H LEU 11 5.435 -1.671 3.193 51 HA LEU 11 HA LEU 11 5.404 -0.405 0.565 52 HB2 LEU 11 1HB LEU 11 7.510 -1.314 1.269 53 HB3 LEU 11 2HB LEU 11 6.770 -2.876 1.612 54 HG LEU 11 HG LEU 11 6.215 -2.798 -0.966 55 HD11 LEU 11 1HD1 LEU 11 8.520 -0.897 -0.651 56 HD12 LEU 11 2HD1 LEU 11 7.006 -0.647 -1.518 57 HD13 LEU 11 3HD1 LEU 11 8.204 -1.778 -2.146 58 HD21 LEU 11 3HD2 LEU 11 7.961 -4.165 0.590 59 HD22 LEU 11 1HD2 LEU 11 9.063 -3.380 -0.542 60 HD23 LEU 11 2HD2 LEU 11 7.768 -4.414 -1.146 61 H LEU 12 H LEU 12 4.429 -3.468 2.085 62 HA LEU 12 HA LEU 12 2.965 -4.260 -0.291 63 HB2 LEU 12 1HB LEU 12 3.446 -5.545 2.381 64 HB3 LEU 12 2HB LEU 12 2.330 -6.226 1.200 65 HG LEU 12 HG LEU 12 4.488 -6.049 -0.351 66 HD11 LEU 12 1HD1 LEU 12 5.509 -6.075 2.461 67 HD12 LEU 12 2HD1 LEU 12 6.074 -5.142 1.076 68 HD13 LEU 12 3HD1 LEU 12 6.406 -6.872 1.167 69 HD21 LEU 12 3HD2 LEU 12 4.100 -8.232 -0.374 70 HD22 LEU 12 1HD2 LEU 12 3.139 -8.074 1.098 71 HD23 LEU 12 2HD2 LEU 12 4.870 -8.401 1.205 72 H VAL 13 H VAL 13 1.956 -1.903 0.647 73 HA VAL 13 HA VAL 13 -0.690 -2.737 1.620 74 HB VAL 13 HB VAL 13 0.789 -0.267 2.537 75 HG11 VAL 13 1HG1 VAL 13 -2.010 -0.912 2.460 76 HG12 VAL 13 2HG1 VAL 13 -1.467 -0.739 4.131 77 HG13 VAL 13 3HG1 VAL 13 -1.220 0.576 2.979 78 HG21 VAL 13 3HG2 VAL 13 1.727 -2.072 3.708 79 HG22 VAL 13 1HG2 VAL 13 0.501 -1.422 4.797 80 HG23 VAL 13 2HG2 VAL 13 0.171 -2.887 3.871 81 H LYS 14 H LYS 14 -2.340 -1.980 0.447 82 HA LYS 14 HA LYS 14 -2.261 -0.962 -2.014 83 HB2 LYS 14 1HB LYS 14 -4.251 -0.203 0.129 84 HB3 LYS 14 2HB LYS 14 -4.481 0.121 -1.584 85 HG2 LYS 14 1HG LYS 14 -4.304 -2.329 -2.001 86 HG3 LYS 14 2HG LYS 14 -4.279 -2.569 -0.252 87 HD2 LYS 14 1HD LYS 14 -6.472 -0.926 -1.408 88 HD3 LYS 14 2HD LYS 14 -6.530 -2.674 -1.650 89 HE2 LYS 14 1HE LYS 14 -7.745 -2.233 0.331 90 HE3 LYS 14 2HE LYS 14 -6.199 -2.909 0.839 91 HZ1 LYS 14 3HZ LYS 14 -6.286 -0.019 0.626 92 HZ2 LYS 14 1HZ LYS 14 -5.586 -0.998 1.815 93 HZ3 LYS 14 2HZ LYS 14 -7.247 -0.679 1.851 94 H TYR 15 H TYR 15 -1.337 0.732 -2.941 95 HA TYR 15 HA TYR 15 -1.482 3.346 -1.652 96 HB2 TYR 15 1HB TYR 15 0.787 3.747 -1.549 97 HB3 TYR 15 2HB TYR 15 0.748 2.029 -1.168 98 HD1 TYR 15 HD2 TYR 15 0.532 0.677 -3.669 99 HD2 TYR 15 HD1 TYR 15 2.679 4.240 -2.771 100 HE1 TYR 15 HE2 TYR 15 2.057 0.223 -5.544 101 HE2 TYR 15 HE1 TYR 15 4.210 3.796 -4.645 102 HH TYR 15 HH TYR 15 4.308 0.799 -6.267 103 H HIS 16 H HIS 16 -0.264 4.971 -3.258 104 HA HIS 16 HA HIS 16 -1.618 4.607 -5.814 105 HB2 HIS 16 1HB HIS 16 -0.293 6.999 -4.533 106 HB3 HIS 16 2HB HIS 16 -0.965 7.022 -6.160 107 HD2 HIS 16 HD2 HIS 16 -2.087 7.558 -2.567 108 HE1 HIS 16 HE1 HIS 16 -5.613 7.149 -4.891 109 HE2 HIS 16 HE2 HIS 16 -4.651 7.882 -2.682 110 H SER 17 H SER 17 -0.531 3.651 -7.396 111 HA SER 17 HA SER 17 2.349 3.586 -7.427 112 HB2 SER 17 1HB SER 17 1.010 1.623 -8.112 113 HB3 SER 17 2HB SER 17 0.369 2.548 -9.470 114 HG SER 17 HG SER 17 2.441 1.091 -9.587 115 H GLY 18 H GLY 18 1.514 6.207 -7.586 116 HA2 GLY 18 1HA GLY 18 2.669 6.968 -10.142 117 HA3 GLY 18 2HA GLY 18 1.019 7.509 -9.868 118 H PHE 19 H PHE 19 1.573 9.688 -9.878 119 HA PHE 19 HA PHE 19 2.771 10.618 -7.382 120 HB2 PHE 19 1HB PHE 19 3.782 11.243 -10.137 121 HB3 PHE 19 2HB PHE 19 3.960 12.424 -8.844 122 HD1 PHE 19 HD1 PHE 19 4.657 8.855 -9.638 123 HD2 PHE 19 HD2 PHE 19 5.801 12.325 -7.455 124 HE1 PHE 19 HE1 PHE 19 6.687 7.698 -8.869 125 HE2 PHE 19 HE2 PHE 19 7.834 11.174 -6.683 126 HZ PHE 19 HZ PHE 19 8.279 8.858 -7.392 127 H PHE 20 H PHE 20 2.586 13.147 -7.347 128 HA PHE 20 HA PHE 20 -0.143 13.797 -8.234 129 HB2 PHE 20 1HB PHE 20 0.312 13.732 -5.757 130 HB3 PHE 20 2HB PHE 20 1.398 15.100 -5.985 131 HD1 PHE 20 HD1 PHE 20 -2.115 13.998 -6.265 132 HD2 PHE 20 HD2 PHE 20 0.572 17.297 -6.170 133 HE1 PHE 20 HE1 PHE 20 -4.020 15.538 -6.049 134 HE2 PHE 20 HE2 PHE 20 -1.329 18.843 -5.952 135 HZ PHE 20 HZ PHE 20 -3.629 17.965 -5.890 136 H VAL 21 H VAL 21 0.065 14.839 -10.134 137 HA VAL 21 HA VAL 21 1.777 17.234 -10.169 138 HB VAL 21 HB VAL 21 1.320 15.336 -12.476 139 HG11 VAL 21 1HG1 VAL 21 1.452 17.810 -13.016 140 HG12 VAL 21 2HG1 VAL 21 3.119 17.747 -12.440 141 HG13 VAL 21 3HG1 VAL 21 2.624 16.769 -13.822 142 HG21 VAL 21 3HG2 VAL 21 2.926 14.616 -10.666 143 HG22 VAL 21 1HG2 VAL 21 3.606 14.735 -12.288 144 HG23 VAL 21 2HG2 VAL 21 3.917 16.006 -11.107 145 H ASP 22 H ASP 22 0.948 19.046 -11.160 146 HA ASP 22 HA ASP 22 -0.629 20.499 -11.920 147 HB2 ASP 22 1HB ASP 22 -0.611 18.622 -13.776 148 HB3 ASP 22 2HB ASP 22 -2.219 18.281 -13.142 149 H GLY 23 H GLY 23 -0.938 19.499 -9.321 150 HA2 GLY 23 1HA GLY 23 -2.468 19.458 -7.610 151 HA3 GLY 23 2HA GLY 23 -3.538 20.327 -8.700 152 H LYS 24 H LYS 24 -2.241 17.097 -9.237 153 HA LYS 24 HA LYS 24 -4.545 15.706 -8.323 154 HB2 LYS 24 1HB LYS 24 -4.401 16.529 -11.182 155 HB3 LYS 24 2HB LYS 24 -4.989 14.910 -10.826 156 HG2 LYS 24 1HG LYS 24 -6.533 16.168 -9.131 157 HG3 LYS 24 2HG LYS 24 -6.195 17.552 -10.172 158 HD2 LYS 24 1HD LYS 24 -7.051 14.959 -11.386 159 HD3 LYS 24 2HD LYS 24 -8.255 16.020 -10.652 160 HE2 LYS 24 1HE LYS 24 -6.278 17.062 -12.651 161 HE3 LYS 24 2HE LYS 24 -7.761 16.263 -13.171 162 HZ1 LYS 24 3HZ LYS 24 -7.741 18.808 -12.875 163 HZ2 LYS 24 1HZ LYS 24 -7.880 18.470 -11.224 164 HZ3 LYS 24 2HZ LYS 24 -9.068 17.932 -12.300 165 H PHE 25 H PHE 25 -4.503 13.373 -9.098 166 HA PHE 25 HA PHE 25 -1.757 12.450 -8.954 167 HB2 PHE 25 1HB PHE 25 -4.445 11.198 -8.591 168 HB3 PHE 25 2HB PHE 25 -3.077 10.158 -8.971 169 HD1 PHE 25 HD1 PHE 25 -0.901 10.762 -7.498 170 HD2 PHE 25 HD2 PHE 25 -4.949 11.452 -6.377 171 HE1 PHE 25 HE1 PHE 25 -0.241 10.763 -5.128 172 HE2 PHE 25 HE2 PHE 25 -4.295 11.456 -4.005 173 HZ PHE 25 HZ PHE 25 -1.938 11.111 -3.378 174 H LEU 26 H LEU 26 -1.313 10.363 -10.294 175 HA LEU 26 HA LEU 26 -2.184 10.836 -13.069 176 HB2 LEU 26 1HB LEU 26 0.525 9.831 -12.225 177 HB3 LEU 26 2HB LEU 26 0.004 10.263 -13.852 178 HG LEU 26 HG LEU 26 0.453 12.155 -11.546 179 HD11 LEU 26 1HD1 LEU 26 2.530 12.355 -12.288 180 HD12 LEU 26 2HD1 LEU 26 1.954 12.708 -13.915 181 HD13 LEU 26 3HD1 LEU 26 2.228 11.038 -13.420 182 HD21 LEU 26 3HD2 LEU 26 0.099 13.886 -13.364 183 HD22 LEU 26 1HD2 LEU 26 -1.343 13.056 -12.780 184 HD23 LEU 26 2HD2 LEU 26 -0.622 12.591 -14.321 185 H CYS 27 H CYS 27 -1.839 8.635 -10.497 186 HA CYS 27 HA CYS 27 -1.857 6.254 -12.139 187 HB2 CYS 27 1HB CYS 27 -2.183 5.112 -9.892 188 HB3 CYS 27 2HB CYS 27 -0.693 6.029 -10.084 189 H CYS 28 H CYS 28 -4.130 7.994 -10.047 190 HA CYS 28 HA CYS 28 -6.324 6.566 -11.389 191 HB2 CYS 28 1HB CYS 28 -7.577 6.668 -9.217 192 HB3 CYS 28 2HB CYS 28 -6.180 5.598 -9.198 193 H GLN 29 H GLN 29 -5.018 9.250 -11.718 194 HA GLN 29 HA GLN 29 -5.563 11.490 -11.804 195 HB2 GLN 29 1HB GLN 29 -7.793 9.940 -13.066 196 HB3 GLN 29 2HB GLN 29 -7.908 11.692 -12.967 197 HG2 GLN 29 1HG GLN 29 -7.014 10.985 -15.110 198 HG3 GLN 29 2HG GLN 29 -5.826 11.917 -14.198 199 HE21 GLN 29 1HE2 GLN 29 -3.951 11.133 -14.920 200 HE22 GLN 29 2HE2 GLN 29 -3.478 9.473 -14.859 201 H GLN 30 H GLN 30 -6.090 10.423 -9.218 202 HA GLN 30 HA GLN 30 -8.670 11.456 -8.395 203 HB2 GLN 30 1HB GLN 30 -6.464 9.936 -7.088 204 HB3 GLN 30 2HB GLN 30 -7.547 10.868 -6.063 205 HG2 GLN 30 1HG GLN 30 -9.454 9.651 -6.900 206 HG3 GLN 30 2HG GLN 30 -8.430 8.778 -8.039 207 HE21 GLN 30 1HE2 GLN 30 -9.247 6.846 -7.071 208 HE22 GLN 30 2HE2 GLN 30 -8.581 6.269 -5.585 209 H SER 31 H SER 31 -9.050 13.335 -7.344 210 HA SER 31 HA SER 31 -6.768 15.166 -7.061 211 HB2 SER 31 1HB SER 31 -8.284 16.979 -7.362 212 HB3 SER 31 2HB SER 31 -8.711 15.778 -8.582 213 HG SER 31 HG SER 31 -9.996 16.074 -6.066 214 H CYS 32 H CYS 32 -6.991 13.346 -5.047 215 HA CYS 32 HA CYS 32 -7.742 15.061 -2.798 216 HB2 CYS 32 1HB CYS 32 -8.810 12.329 -3.380 217 HB3 CYS 32 2HB CYS 32 -8.542 12.796 -1.704 218 H LYS 33 H LYS 33 -5.890 15.363 -1.757 219 HA LYS 33 HA LYS 33 -3.607 13.782 -1.938 220 HB2 LYS 33 1HB LYS 33 -4.006 16.198 -0.972 221 HB3 LYS 33 2HB LYS 33 -4.154 15.340 0.556 222 HG2 LYS 33 1HG LYS 33 -1.925 14.375 0.217 223 HG3 LYS 33 2HG LYS 33 -1.778 15.276 -1.294 224 HD2 LYS 33 1HD LYS 33 -2.306 17.338 0.218 225 HD3 LYS 33 2HD LYS 33 -1.773 16.275 1.523 226 HE2 LYS 33 1HE LYS 33 -0.118 16.666 -0.948 227 HE3 LYS 33 2HE LYS 33 -0.034 17.804 0.396 228 HZ1 LYS 33 3HZ LYS 33 0.231 14.964 1.023 229 HZ2 LYS 33 1HZ LYS 33 0.990 16.302 1.726 230 HZ3 LYS 33 2HZ LYS 33 1.535 15.707 0.240 231 H ALA 34 H ALA 34 -6.322 13.612 0.280 232 HA ALA 34 HA ALA 34 -5.055 11.359 1.675 233 HB1 ALA 34 3HB ALA 34 -6.434 13.527 2.666 234 HB2 ALA 34 1HB ALA 34 -7.627 12.228 2.720 235 HB3 ALA 34 2HB ALA 34 -6.076 12.037 3.540 236 H ALA 35 H ALA 35 -5.792 10.681 -0.826 237 HA ALA 35 HA ALA 35 -8.442 9.451 -0.677 238 HB1 ALA 35 3HB ALA 35 -6.574 9.391 -3.030 239 HB2 ALA 35 1HB ALA 35 -8.318 9.133 -3.011 240 HB3 ALA 35 2HB ALA 35 -7.660 10.742 -2.709 241 HA PRO 36 HA PRO 36 -6.936 5.429 0.252 242 HB2 PRO 36 1HB PRO 36 -8.803 3.903 -0.997 243 HB3 PRO 36 2HB PRO 36 -9.134 4.805 0.488 244 HG2 PRO 36 1HG PRO 36 -9.778 5.520 -2.347 245 HG3 PRO 36 2HG PRO 36 -10.786 5.680 -0.897 246 HD2 PRO 36 1HD PRO 36 -9.451 7.772 -1.982 247 HD3 PRO 36 2HD PRO 36 -9.745 7.629 -0.236 248 H GLY 37 H GLY 37 -5.374 4.177 -0.571 249 HA2 GLY 37 1HA GLY 37 -4.163 4.464 -2.981 250 HA3 GLY 37 2HA GLY 37 -4.156 2.944 -2.100 251 H CYS 38 H CYS 38 -4.916 4.372 -4.983 252 HA CYS 38 HA CYS 38 -7.296 3.103 -5.754 253 HB2 CYS 38 1HB CYS 38 -6.413 3.445 -8.101 254 HB3 CYS 38 2HB CYS 38 -6.486 4.894 -7.101 255 H THR 39 H THR 39 -3.933 2.047 -5.892 256 HA THR 39 HA THR 39 -4.461 -0.349 -7.342 257 HB THR 39 HB THR 39 -2.087 0.120 -5.540 258 HG1 THR 39 HG1 THR 39 -1.286 1.466 -6.995 259 HG21 THR 39 3HG2 THR 39 -1.656 -1.954 -6.301 260 HG22 THR 39 1HG2 THR 39 -1.214 -1.136 -7.799 261 HG23 THR 39 2HG2 THR 39 -2.828 -1.823 -7.611 262 H LEU 40 H LEU 40 -6.114 -1.463 -6.304 263 HA LEU 40 HA LEU 40 -5.415 -2.586 -3.670 264 HB2 LEU 40 1HB LEU 40 -7.322 -1.479 -3.135 265 HB3 LEU 40 2HB LEU 40 -7.954 -1.552 -4.778 266 HG LEU 40 HG LEU 40 -7.911 -3.929 -2.930 267 HD11 LEU 40 1HD1 LEU 40 -10.008 -1.808 -3.303 268 HD12 LEU 40 2HD1 LEU 40 -9.271 -2.366 -1.803 269 HD13 LEU 40 3HD1 LEU 40 -10.376 -3.419 -2.686 270 HD21 LEU 40 3HD2 LEU 40 -10.002 -3.881 -4.878 271 HD22 LEU 40 1HD2 LEU 40 -8.692 -5.046 -4.679 272 HD23 LEU 40 2HD2 LEU 40 -8.452 -3.611 -5.676 273 H TRP 41 H TRP 41 -5.985 -3.236 -6.937 274 HA TRP 41 HA TRP 41 -6.748 -6.015 -6.478 275 HB2 TRP 41 1HB TRP 41 -6.652 -6.011 -9.080 276 HB3 TRP 41 2HB TRP 41 -7.971 -5.171 -8.269 277 HD1 TRP 41 HD1 TRP 41 -4.463 -3.645 -8.626 278 HE1 TRP 41 HE1 TRP 41 -4.638 -1.541 -10.098 279 HE3 TRP 41 HE3 TRP 41 -9.358 -4.051 -10.043 280 HZ2 TRP 41 HZ2 TRP 41 -6.593 -0.227 -11.654 281 HZ3 TRP 41 HZ3 TRP 41 -10.304 -2.329 -11.523 282 HH2 TRP 41 HH2 TRP 41 -8.948 -0.457 -12.310 283 H GLU 42 H GLU 42 -4.286 -5.516 -5.432 284 HA GLU 42 HA GLU 42 -2.244 -6.223 -7.358 285 HB2 GLU 42 1HB GLU 42 -0.707 -6.112 -5.443 286 HB3 GLU 42 2HB GLU 42 -1.687 -4.659 -5.578 287 HG2 GLU 42 1HG GLU 42 -1.847 -5.018 -3.345 288 HG3 GLU 42 2HG GLU 42 -3.236 -5.956 -3.890 289 H ALA 43 H ALA 43 -4.361 -8.124 -7.034 290 HA ALA 43 HA ALA 43 -2.861 -10.390 -5.887 291 HB1 ALA 43 3HB ALA 43 -5.338 -9.497 -5.086 292 HB2 ALA 43 1HB ALA 43 -5.723 -10.833 -6.172 293 HB3 ALA 43 2HB ALA 43 -4.667 -11.100 -4.784 294 H TYR 44 H TYR 44 -2.290 -9.685 -8.444 295 HA TYR 44 HA TYR 44 -3.938 -11.206 -10.277 296 HB2 TYR 44 1HB TYR 44 -3.133 -9.339 -11.366 297 HB3 TYR 44 2HB TYR 44 -1.585 -9.387 -10.530 298 HD1 TYR 44 HD1 TYR 44 -3.562 -11.374 -13.001 299 HD2 TYR 44 HD2 TYR 44 0.279 -10.079 -11.709 300 HE1 TYR 44 HE1 TYR 44 -2.544 -12.457 -14.961 301 HE2 TYR 44 HE2 TYR 44 1.307 -11.156 -13.666 302 HH TYR 44 HH TYR 44 -0.204 -13.411 -15.528 303 H SER 45 H SER 45 -3.702 -13.313 -9.429 304 HA SER 45 HA SER 45 -1.193 -14.564 -9.029 305 HB2 SER 45 1HB SER 45 -3.981 -15.649 -9.426 306 HB3 SER 45 2HB SER 45 -2.588 -16.699 -9.162 307 HG SER 45 HG SER 45 -2.244 -15.605 -7.182 308 H GLY 46 H GLY 46 -3.612 -15.245 -11.568 309 HA2 GLY 46 1HA GLY 46 -2.154 -14.926 -13.827 310 HA3 GLY 46 2HA GLY 46 -1.592 -16.479 -13.225 311 HA PRO 47 HA PRO 47 -5.809 -16.654 -15.541 312 HB2 PRO 47 1HB PRO 47 -4.980 -17.048 -18.096 313 HB3 PRO 47 2HB PRO 47 -5.324 -15.446 -17.434 314 HG2 PRO 47 1HG PRO 47 -2.690 -16.821 -17.796 315 HG3 PRO 47 2HG PRO 47 -3.126 -15.134 -18.128 316 HD2 PRO 47 1HD PRO 47 -1.799 -15.880 -15.889 317 HD3 PRO 47 2HD PRO 47 -2.934 -14.516 -15.917 318 H SER 48 H SER 48 -3.028 -18.411 -15.000 319 HA SER 48 HA SER 48 -2.980 -20.699 -16.364 320 HB2 SER 48 1HB SER 48 -3.087 -20.675 -13.339 321 HB3 SER 48 2HB SER 48 -2.303 -21.881 -14.359 322 HG SER 48 HG SER 48 -0.695 -20.531 -13.760 323 H SER 49 H SER 49 -4.386 -22.164 -17.043 324 HA SER 49 HA SER 49 -7.083 -22.159 -16.632 325 HB2 SER 49 1HB SER 49 -5.374 -24.606 -17.142 326 HB3 SER 49 2HB SER 49 -7.108 -24.483 -17.440 327 HG SER 49 HG SER 49 -5.475 -22.553 -18.606 328 H GLY 50 H GLY 50 -8.522 -23.585 -15.455 329 HA2 GLY 50 1HA GLY 50 -7.667 -23.871 -12.701 330 HA3 GLY 50 2HA GLY 50 -9.294 -24.112 -13.322 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -5.613 -19.857 8.121 2 HA2 GLY 1 1HA GLY 1 -4.765 -17.772 8.573 3 HA3 GLY 1 2HA GLY 1 -4.218 -17.731 6.904 4 H SER 2 H SER 2 -7.412 -17.715 8.491 5 HA SER 2 HA SER 2 -8.687 -16.130 6.598 6 HB2 SER 2 1HB SER 2 -9.221 -16.645 9.514 7 HB3 SER 2 2HB SER 2 -10.243 -15.548 8.587 8 HG SER 2 HG SER 2 -11.236 -17.361 8.133 9 H SER 3 H SER 3 -7.502 -15.069 9.794 10 HA SER 3 HA SER 3 -6.937 -12.434 8.614 11 HB2 SER 3 1HB SER 3 -9.097 -12.514 9.988 12 HB3 SER 3 2HB SER 3 -8.063 -12.750 11.396 13 HG SER 3 HG SER 3 -7.001 -10.741 10.183 14 H GLY 4 H GLY 4 -5.126 -11.388 9.374 15 HA2 GLY 4 1HA GLY 4 -3.086 -13.016 10.499 16 HA3 GLY 4 2HA GLY 4 -2.978 -11.288 10.191 17 H SER 5 H SER 5 -2.213 -10.432 12.020 18 HA SER 5 HA SER 5 -3.849 -10.304 14.332 19 HB2 SER 5 1HB SER 5 -2.347 -11.442 15.921 20 HB3 SER 5 2HB SER 5 -2.974 -12.564 14.714 21 HG SER 5 HG SER 5 -0.673 -12.725 15.126 22 H SER 6 H SER 6 -3.342 -8.547 15.528 23 HA SER 6 HA SER 6 -1.705 -6.558 14.565 24 HB2 SER 6 1HB SER 6 -3.455 -6.197 16.267 25 HB3 SER 6 2HB SER 6 -2.453 -7.018 17.464 26 HG SER 6 HG SER 6 -2.145 -4.494 16.301 27 H GLY 7 H GLY 7 0.411 -6.647 14.199 28 HA2 GLY 7 1HA GLY 7 2.378 -6.674 16.095 29 HA3 GLY 7 2HA GLY 7 2.154 -8.371 15.696 30 H ASN 8 H ASN 8 1.876 -8.543 13.095 31 HA ASN 8 HA ASN 8 4.427 -8.205 12.047 32 HB2 ASN 8 1HB ASN 8 3.268 -9.761 10.833 33 HB3 ASN 8 2HB ASN 8 1.756 -8.862 10.921 34 HD21 ASN 8 1HD2 ASN 8 1.231 -7.457 9.324 35 HD22 ASN 8 2HD2 ASN 8 2.170 -7.233 7.892 36 HA PRO 9 HA PRO 9 4.633 -3.941 10.955 37 HB2 PRO 9 1HB PRO 9 6.617 -4.088 9.107 38 HB3 PRO 9 2HB PRO 9 6.909 -4.240 10.843 39 HG2 PRO 9 1HG PRO 9 6.657 -6.384 8.770 40 HG3 PRO 9 2HG PRO 9 7.819 -6.247 10.101 41 HD2 PRO 9 1HD PRO 9 5.639 -7.848 10.230 42 HD3 PRO 9 2HD PRO 9 6.320 -7.045 11.660 43 H HIS 10 H HIS 10 4.545 -2.516 9.020 44 HA HIS 10 HA HIS 10 2.343 -2.865 7.474 45 HB2 HIS 10 1HB HIS 10 4.880 -1.342 6.955 46 HB3 HIS 10 2HB HIS 10 3.580 -1.345 5.767 47 HD2 HIS 10 HD2 HIS 10 0.990 -0.583 7.228 48 HE1 HIS 10 HE1 HIS 10 3.187 2.257 9.488 49 HE2 HIS 10 HE2 HIS 10 0.895 1.453 8.820 50 H LEU 11 H LEU 11 1.749 -4.017 5.738 51 HA LEU 11 HA LEU 11 3.668 -5.045 3.855 52 HB2 LEU 11 1HB LEU 11 4.032 -6.885 5.124 53 HB3 LEU 11 2HB LEU 11 2.493 -6.740 5.968 54 HG LEU 11 HG LEU 11 2.438 -7.588 3.120 55 HD11 LEU 11 1HD1 LEU 11 2.631 -9.912 4.736 56 HD12 LEU 11 2HD1 LEU 11 4.056 -8.915 5.031 57 HD13 LEU 11 3HD1 LEU 11 3.656 -9.417 3.388 58 HD21 LEU 11 3HD2 LEU 11 0.416 -8.468 3.670 59 HD22 LEU 11 1HD2 LEU 11 0.509 -7.223 4.915 60 HD23 LEU 11 2HD2 LEU 11 0.920 -8.894 5.306 61 H LEU 12 H LEU 12 2.757 -5.476 1.897 62 HA LEU 12 HA LEU 12 1.205 -5.216 0.239 63 HB2 LEU 12 1HB LEU 12 0.068 -7.126 2.204 64 HB3 LEU 12 2HB LEU 12 -1.001 -6.540 0.931 65 HG LEU 12 HG LEU 12 1.029 -7.294 -0.604 66 HD11 LEU 12 1HD1 LEU 12 2.585 -8.033 0.966 67 HD12 LEU 12 2HD1 LEU 12 1.830 -9.517 0.387 68 HD13 LEU 12 3HD1 LEU 12 1.358 -8.838 1.944 69 HD21 LEU 12 3HD2 LEU 12 -1.336 -8.700 0.471 70 HD22 LEU 12 1HD2 LEU 12 -0.151 -9.691 -0.381 71 HD23 LEU 12 2HD2 LEU 12 -0.900 -8.316 -1.195 72 H VAL 13 H VAL 13 1.269 -2.977 1.829 73 HA VAL 13 HA VAL 13 -1.450 -2.263 2.551 74 HB VAL 13 HB VAL 13 1.081 -0.611 2.592 75 HG11 VAL 13 1HG1 VAL 13 -1.748 -0.015 3.336 76 HG12 VAL 13 2HG1 VAL 13 -0.431 0.739 4.238 77 HG13 VAL 13 3HG1 VAL 13 -0.570 0.995 2.498 78 HG21 VAL 13 3HG2 VAL 13 0.484 -0.923 5.163 79 HG22 VAL 13 1HG2 VAL 13 -0.234 -2.412 4.549 80 HG23 VAL 13 2HG2 VAL 13 1.479 -2.083 4.284 81 H LYS 14 H LYS 14 -2.813 -1.043 1.380 82 HA LYS 14 HA LYS 14 -2.539 -0.743 -1.361 83 HB2 LYS 14 1HB LYS 14 -4.250 0.895 0.518 84 HB3 LYS 14 2HB LYS 14 -4.462 0.797 -1.225 85 HG2 LYS 14 1HG LYS 14 -5.097 -1.484 -1.108 86 HG3 LYS 14 2HG LYS 14 -4.609 -1.599 0.584 87 HD2 LYS 14 1HD LYS 14 -6.366 0.098 1.121 88 HD3 LYS 14 2HD LYS 14 -6.914 -0.022 -0.553 89 HE2 LYS 14 1HE LYS 14 -8.264 -1.429 0.907 90 HE3 LYS 14 2HE LYS 14 -7.348 -2.409 -0.237 91 HZ1 LYS 14 3HZ LYS 14 -7.348 -2.560 2.556 92 HZ2 LYS 14 1HZ LYS 14 -5.801 -2.077 2.071 93 HZ3 LYS 14 2HZ LYS 14 -6.472 -3.502 1.457 94 H TYR 15 H TYR 15 -1.271 0.520 -2.536 95 HA TYR 15 HA TYR 15 -0.546 3.171 -1.478 96 HB2 TYR 15 1HB TYR 15 1.692 2.942 -2.238 97 HB3 TYR 15 2HB TYR 15 1.323 1.456 -1.370 98 HD1 TYR 15 HD1 TYR 15 1.710 2.932 -4.740 99 HD2 TYR 15 HD2 TYR 15 1.394 -0.649 -2.462 100 HE1 TYR 15 HE1 TYR 15 2.373 1.623 -6.715 101 HE2 TYR 15 HE2 TYR 15 2.058 -1.966 -4.431 102 HH TYR 15 HH TYR 15 1.905 -0.996 -7.429 103 H HIS 16 H HIS 16 0.383 4.582 -3.303 104 HA HIS 16 HA HIS 16 -1.457 4.378 -5.576 105 HB2 HIS 16 1HB HIS 16 -0.002 6.666 -4.285 106 HB3 HIS 16 2HB HIS 16 -0.612 6.814 -5.930 107 HD2 HIS 16 HD2 HIS 16 -1.820 7.348 -2.402 108 HE1 HIS 16 HE1 HIS 16 -5.312 6.946 -4.778 109 HE2 HIS 16 HE2 HIS 16 -4.377 7.700 -2.563 110 H SER 17 H SER 17 -0.715 3.681 -7.458 111 HA SER 17 HA SER 17 2.129 3.404 -7.902 112 HB2 SER 17 1HB SER 17 0.277 1.722 -8.565 113 HB3 SER 17 2HB SER 17 0.001 2.791 -9.940 114 HG SER 17 HG SER 17 1.490 1.153 -10.459 115 H GLY 18 H GLY 18 1.386 6.087 -7.692 116 HA2 GLY 18 1HA GLY 18 2.447 7.096 -10.161 117 HA3 GLY 18 2HA GLY 18 0.753 7.508 -9.942 118 H PHE 19 H PHE 19 1.796 9.709 -10.070 119 HA PHE 19 HA PHE 19 2.660 10.548 -7.380 120 HB2 PHE 19 1HB PHE 19 3.474 11.618 -10.084 121 HB3 PHE 19 2HB PHE 19 3.796 12.469 -8.577 122 HD1 PHE 19 HD2 PHE 19 4.857 10.778 -6.717 123 HD2 PHE 19 HD1 PHE 19 5.242 10.459 -10.944 124 HE1 PHE 19 HE2 PHE 19 6.928 9.482 -6.428 125 HE2 PHE 19 HE1 PHE 19 7.313 9.162 -10.662 126 HZ PHE 19 HZ PHE 19 8.159 8.672 -8.401 127 H PHE 20 H PHE 20 2.178 12.904 -6.947 128 HA PHE 20 HA PHE 20 -0.485 13.571 -8.017 129 HB2 PHE 20 1HB PHE 20 -0.429 12.913 -5.602 130 HB3 PHE 20 2HB PHE 20 0.613 14.298 -5.295 131 HD1 PHE 20 HD1 PHE 20 -2.687 13.465 -6.811 132 HD2 PHE 20 HD2 PHE 20 -0.345 16.287 -4.651 133 HE1 PHE 20 HE1 PHE 20 -4.673 14.888 -6.523 134 HE2 PHE 20 HE2 PHE 20 -2.328 17.715 -4.359 135 HZ PHE 20 HZ PHE 20 -4.495 17.015 -5.295 136 H VAL 21 H VAL 21 0.268 14.887 -9.681 137 HA VAL 21 HA VAL 21 1.573 17.382 -8.804 138 HB VAL 21 HB VAL 21 2.495 17.588 -11.087 139 HG11 VAL 21 1HG1 VAL 21 3.551 16.273 -9.045 140 HG12 VAL 21 2HG1 VAL 21 3.424 14.920 -10.170 141 HG13 VAL 21 3HG1 VAL 21 4.352 16.353 -10.614 142 HG21 VAL 21 3HG2 VAL 21 0.622 15.758 -11.809 143 HG22 VAL 21 1HG2 VAL 21 2.037 16.175 -12.775 144 HG23 VAL 21 2HG2 VAL 21 2.070 14.754 -11.731 145 H ASP 22 H ASP 22 0.808 19.319 -9.628 146 HA ASP 22 HA ASP 22 -0.683 20.805 -10.496 147 HB2 ASP 22 1HB ASP 22 -0.263 19.286 -12.568 148 HB3 ASP 22 2HB ASP 22 -1.870 18.656 -12.222 149 H GLY 23 H GLY 23 -1.311 19.048 -8.212 150 HA2 GLY 23 1HA GLY 23 -3.078 18.798 -6.762 151 HA3 GLY 23 2HA GLY 23 -4.005 19.848 -7.824 152 H LYS 24 H LYS 24 -2.531 16.809 -8.795 153 HA LYS 24 HA LYS 24 -4.966 15.305 -8.551 154 HB2 LYS 24 1HB LYS 24 -4.117 16.446 -11.183 155 HB3 LYS 24 2HB LYS 24 -4.868 14.857 -11.143 156 HG2 LYS 24 1HG LYS 24 -6.705 16.044 -9.747 157 HG3 LYS 24 2HG LYS 24 -6.030 17.517 -10.446 158 HD2 LYS 24 1HD LYS 24 -6.787 15.173 -12.162 159 HD3 LYS 24 2HD LYS 24 -7.981 16.377 -11.672 160 HE2 LYS 24 1HE LYS 24 -7.298 17.297 -13.645 161 HE3 LYS 24 2HE LYS 24 -6.133 18.046 -12.555 162 HZ1 LYS 24 3HZ LYS 24 -5.040 17.164 -14.508 163 HZ2 LYS 24 1HZ LYS 24 -5.662 15.621 -14.205 164 HZ3 LYS 24 2HZ LYS 24 -4.546 16.307 -13.136 165 H PHE 25 H PHE 25 -4.703 13.076 -9.121 166 HA PHE 25 HA PHE 25 -1.940 12.209 -8.866 167 HB2 PHE 25 1HB PHE 25 -4.610 10.970 -8.431 168 HB3 PHE 25 2HB PHE 25 -3.281 9.896 -8.854 169 HD1 PHE 25 HD1 PHE 25 -1.091 10.230 -7.455 170 HD2 PHE 25 HD2 PHE 25 -4.966 11.486 -6.220 171 HE1 PHE 25 HE1 PHE 25 -0.339 10.236 -5.112 172 HE2 PHE 25 HE2 PHE 25 -4.219 11.497 -3.875 173 HZ PHE 25 HZ PHE 25 -1.903 10.872 -3.319 174 H LEU 26 H LEU 26 -1.070 10.494 -10.207 175 HA LEU 26 HA LEU 26 -2.033 10.705 -12.979 176 HB2 LEU 26 1HB LEU 26 0.677 10.213 -11.792 177 HB3 LEU 26 2HB LEU 26 0.323 9.796 -13.469 178 HG LEU 26 HG LEU 26 1.474 11.970 -13.211 179 HD11 LEU 26 1HD1 LEU 26 0.333 12.944 -14.931 180 HD12 LEU 26 2HD1 LEU 26 -1.247 12.626 -14.214 181 HD13 LEU 26 3HD1 LEU 26 -0.353 11.320 -14.995 182 HD21 LEU 26 3HD2 LEU 26 -1.068 12.752 -11.789 183 HD22 LEU 26 1HD2 LEU 26 0.168 13.881 -12.344 184 HD23 LEU 26 2HD2 LEU 26 0.555 12.692 -11.100 185 H CYS 27 H CYS 27 -2.245 8.685 -10.428 186 HA CYS 27 HA CYS 27 -2.014 6.233 -12.028 187 HB2 CYS 27 1HB CYS 27 -2.315 5.130 -9.725 188 HB3 CYS 27 2HB CYS 27 -0.790 5.952 -10.042 189 H CYS 28 H CYS 28 -4.203 7.809 -9.703 190 HA CYS 28 HA CYS 28 -6.432 6.343 -10.955 191 HB2 CYS 28 1HB CYS 28 -7.576 6.858 -8.678 192 HB3 CYS 28 2HB CYS 28 -6.411 5.541 -8.770 193 H GLN 29 H GLN 29 -5.108 9.086 -11.398 194 HA GLN 29 HA GLN 29 -5.720 11.285 -11.683 195 HB2 GLN 29 1HB GLN 29 -8.231 9.942 -12.695 196 HB3 GLN 29 2HB GLN 29 -7.629 11.528 -13.160 197 HG2 GLN 29 1HG GLN 29 -6.511 8.832 -13.837 198 HG3 GLN 29 2HG GLN 29 -7.062 10.105 -14.926 199 HE21 GLN 29 1HE2 GLN 29 -5.820 12.256 -14.481 200 HE22 GLN 29 2HE2 GLN 29 -4.102 12.094 -14.426 201 H GLN 30 H GLN 30 -6.392 10.213 -9.052 202 HA GLN 30 HA GLN 30 -8.977 11.229 -8.332 203 HB2 GLN 30 1HB GLN 30 -6.682 9.992 -6.890 204 HB3 GLN 30 2HB GLN 30 -7.826 10.942 -5.951 205 HG2 GLN 30 1HG GLN 30 -9.573 9.444 -7.261 206 HG3 GLN 30 2HG GLN 30 -8.193 8.351 -7.336 207 HE21 GLN 30 1HE2 GLN 30 -7.580 7.261 -5.547 208 HE22 GLN 30 2HE2 GLN 30 -8.388 7.363 -4.024 209 H SER 31 H SER 31 -9.494 13.256 -7.859 210 HA SER 31 HA SER 31 -7.694 15.390 -8.071 211 HB2 SER 31 1HB SER 31 -10.020 15.805 -8.450 212 HB3 SER 31 2HB SER 31 -10.451 15.221 -6.844 213 HG SER 31 HG SER 31 -8.650 17.338 -6.986 214 H CYS 32 H CYS 32 -8.890 13.628 -5.264 215 HA CYS 32 HA CYS 32 -7.877 15.331 -3.271 216 HB2 CYS 32 1HB CYS 32 -9.479 13.229 -3.160 217 HB3 CYS 32 2HB CYS 32 -7.974 12.376 -2.830 218 H LYS 33 H LYS 33 -5.897 15.638 -2.464 219 HA LYS 33 HA LYS 33 -3.627 14.534 -3.777 220 HB2 LYS 33 1HB LYS 33 -2.312 15.871 -2.269 221 HB3 LYS 33 2HB LYS 33 -3.705 16.817 -2.781 222 HG2 LYS 33 1HG LYS 33 -4.828 16.270 -0.663 223 HG3 LYS 33 2HG LYS 33 -3.387 15.388 -0.148 224 HD2 LYS 33 1HD LYS 33 -3.185 18.247 -1.015 225 HD3 LYS 33 2HD LYS 33 -3.718 17.846 0.618 226 HE2 LYS 33 1HE LYS 33 -1.654 16.520 0.925 227 HE3 LYS 33 2HE LYS 33 -1.118 17.030 -0.675 228 HZ1 LYS 33 3HZ LYS 33 -0.236 18.332 1.280 229 HZ2 LYS 33 1HZ LYS 33 -1.793 18.972 1.453 230 HZ3 LYS 33 2HZ LYS 33 -0.922 19.243 0.030 231 H ALA 34 H ALA 34 -5.156 13.986 -0.636 232 HA ALA 34 HA ALA 34 -3.296 11.755 -0.165 233 HB1 ALA 34 3HB ALA 34 -3.213 12.381 1.964 234 HB2 ALA 34 1HB ALA 34 -4.144 13.813 1.522 235 HB3 ALA 34 2HB ALA 34 -4.972 12.364 2.094 236 H ALA 35 H ALA 35 -5.451 11.489 -2.005 237 HA ALA 35 HA ALA 35 -7.752 10.317 -0.909 238 HB1 ALA 35 3HB ALA 35 -6.674 10.758 -3.502 239 HB2 ALA 35 1HB ALA 35 -7.203 9.078 -3.396 240 HB3 ALA 35 2HB ALA 35 -8.336 10.384 -3.046 241 HA PRO 36 HA PRO 36 -6.654 6.241 0.290 242 HB2 PRO 36 1HB PRO 36 -8.641 4.715 -0.755 243 HB3 PRO 36 2HB PRO 36 -8.888 5.809 0.611 244 HG2 PRO 36 1HG PRO 36 -9.519 6.224 -2.287 245 HG3 PRO 36 2HG PRO 36 -10.492 6.628 -0.860 246 HD2 PRO 36 1HD PRO 36 -9.028 8.472 -2.198 247 HD3 PRO 36 2HD PRO 36 -9.308 8.562 -0.447 248 H GLY 37 H GLY 37 -5.162 4.835 -0.393 249 HA2 GLY 37 1HA GLY 37 -3.989 4.731 -2.831 250 HA3 GLY 37 2HA GLY 37 -4.059 3.335 -1.765 251 H CYS 38 H CYS 38 -4.605 4.253 -4.821 252 HA CYS 38 HA CYS 38 -7.126 3.002 -5.345 253 HB2 CYS 38 1HB CYS 38 -6.491 3.265 -7.727 254 HB3 CYS 38 2HB CYS 38 -6.329 4.762 -6.814 255 H THR 39 H THR 39 -3.753 2.021 -5.489 256 HA THR 39 HA THR 39 -4.225 -0.466 -6.796 257 HB THR 39 HB THR 39 -1.864 0.159 -5.026 258 HG1 THR 39 HG1 THR 39 -1.195 1.539 -6.483 259 HG21 THR 39 3HG2 THR 39 -0.759 -1.243 -6.887 260 HG22 THR 39 1HG2 THR 39 -2.402 -1.738 -7.289 261 HG23 THR 39 2HG2 THR 39 -1.744 -2.079 -5.688 262 H LEU 40 H LEU 40 -5.870 -1.531 -5.681 263 HA LEU 40 HA LEU 40 -5.026 -2.707 -3.124 264 HB2 LEU 40 1HB LEU 40 -7.425 -2.645 -2.415 265 HB3 LEU 40 2HB LEU 40 -6.620 -1.079 -2.489 266 HG LEU 40 HG LEU 40 -7.720 -0.801 -4.770 267 HD11 LEU 40 1HD1 LEU 40 -8.916 -2.465 -5.607 268 HD12 LEU 40 2HD1 LEU 40 -9.985 -2.414 -4.206 269 HD13 LEU 40 3HD1 LEU 40 -8.555 -3.445 -4.186 270 HD21 LEU 40 3HD2 LEU 40 -9.290 0.434 -3.749 271 HD22 LEU 40 1HD2 LEU 40 -8.504 -0.094 -2.261 272 HD23 LEU 40 2HD2 LEU 40 -9.933 -0.942 -2.853 273 H TRP 41 H TRP 41 -6.098 -4.756 -2.626 274 HA TRP 41 HA TRP 41 -6.254 -6.951 -3.354 275 HB2 TRP 41 1HB TRP 41 -8.710 -5.645 -4.548 276 HB3 TRP 41 2HB TRP 41 -8.513 -7.374 -4.275 277 HD1 TRP 41 HD1 TRP 41 -9.363 -4.146 -2.489 278 HE1 TRP 41 HE1 TRP 41 -10.066 -4.677 -0.071 279 HE3 TRP 41 HE3 TRP 41 -8.053 -9.086 -2.326 280 HZ2 TRP 41 HZ2 TRP 41 -10.066 -6.895 1.674 281 HZ3 TRP 41 HZ3 TRP 41 -8.438 -10.340 -0.244 282 HH2 TRP 41 HH2 TRP 41 -9.422 -9.265 1.714 283 H GLU 42 H GLU 42 -4.384 -5.968 -4.956 284 HA GLU 42 HA GLU 42 -5.198 -6.739 -7.681 285 HB2 GLU 42 1HB GLU 42 -3.266 -5.410 -8.469 286 HB3 GLU 42 2HB GLU 42 -4.450 -4.439 -7.606 287 HG2 GLU 42 1HG GLU 42 -2.559 -3.635 -6.655 288 HG3 GLU 42 2HG GLU 42 -2.871 -4.980 -5.559 289 H ALA 43 H ALA 43 -4.552 -8.667 -5.722 290 HA ALA 43 HA ALA 43 -1.821 -9.505 -6.095 291 HB1 ALA 43 3HB ALA 43 -3.981 -10.167 -4.338 292 HB2 ALA 43 1HB ALA 43 -3.329 -11.640 -5.056 293 HB3 ALA 43 2HB ALA 43 -2.263 -10.539 -4.183 294 H TYR 44 H TYR 44 -5.008 -10.701 -7.129 295 HA TYR 44 HA TYR 44 -4.283 -12.954 -8.510 296 HB2 TYR 44 1HB TYR 44 -6.618 -12.051 -8.153 297 HB3 TYR 44 2HB TYR 44 -6.336 -10.986 -9.526 298 HD1 TYR 44 HD1 TYR 44 -6.571 -14.541 -8.512 299 HD2 TYR 44 HD2 TYR 44 -6.566 -11.772 -11.743 300 HE1 TYR 44 HE1 TYR 44 -7.292 -16.330 -10.039 301 HE2 TYR 44 HE2 TYR 44 -7.289 -13.552 -13.278 302 HH TYR 44 HH TYR 44 -8.529 -16.465 -12.262 303 H SER 45 H SER 45 -2.888 -13.310 -10.091 304 HA SER 45 HA SER 45 -1.710 -11.185 -11.586 305 HB2 SER 45 1HB SER 45 -0.473 -12.996 -12.742 306 HB3 SER 45 2HB SER 45 -0.397 -13.151 -10.987 307 HG SER 45 HG SER 45 -1.360 -15.004 -11.149 308 H GLY 46 H GLY 46 -1.425 -11.729 -14.099 309 HA2 GLY 46 1HA GLY 46 -3.884 -11.104 -15.305 310 HA3 GLY 46 2HA GLY 46 -2.430 -11.600 -16.157 311 HA PRO 47 HA PRO 47 -5.852 -14.987 -15.902 312 HB2 PRO 47 1HB PRO 47 -7.365 -14.386 -18.075 313 HB3 PRO 47 2HB PRO 47 -7.730 -13.784 -16.453 314 HG2 PRO 47 1HG PRO 47 -6.343 -12.403 -18.718 315 HG3 PRO 47 2HG PRO 47 -7.572 -11.771 -17.606 316 HD2 PRO 47 1HD PRO 47 -4.931 -11.248 -17.310 317 HD3 PRO 47 2HD PRO 47 -6.038 -11.389 -15.929 318 H SER 48 H SER 48 -4.256 -13.433 -18.641 319 HA SER 48 HA SER 48 -3.667 -16.109 -19.727 320 HB2 SER 48 1HB SER 48 -3.579 -15.006 -21.982 321 HB3 SER 48 2HB SER 48 -5.183 -15.021 -21.250 322 HG SER 48 HG SER 48 -4.850 -12.970 -21.993 323 H SER 49 H SER 49 -1.666 -16.164 -21.072 324 HA SER 49 HA SER 49 0.608 -16.017 -21.123 325 HB2 SER 49 1HB SER 49 -0.128 -13.893 -22.295 326 HB3 SER 49 2HB SER 49 0.167 -13.048 -20.775 327 HG SER 49 HG SER 49 2.336 -14.305 -21.069 328 H GLY 50 H GLY 50 -0.379 -16.637 -18.597 329 HA2 GLY 50 1HA GLY 50 1.095 -14.982 -16.692 330 HA3 GLY 50 2HA GLY 50 -0.012 -16.288 -16.295
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