NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14578 | 1wyq | 11126 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 12.470 26.858 -4.589 2 HA2 GLY 1 1HA GLY 1 14.685 26.041 -4.908 3 HA3 GLY 1 2HA GLY 1 14.495 26.134 -3.163 4 H SER 2 H SER 2 14.600 24.022 -5.936 5 HA SER 2 HA SER 2 15.647 21.866 -4.443 6 HB2 SER 2 1HB SER 2 13.398 21.545 -3.628 7 HB3 SER 2 2HB SER 2 12.743 21.637 -5.263 8 HG SER 2 HG SER 2 13.289 19.471 -4.109 9 H SER 3 H SER 3 16.809 20.637 -5.784 10 HA SER 3 HA SER 3 16.038 20.515 -8.618 11 HB2 SER 3 1HB SER 3 18.248 20.970 -9.361 12 HB3 SER 3 2HB SER 3 17.899 22.201 -8.148 13 HG SER 3 HG SER 3 19.882 20.435 -8.175 14 H GLY 4 H GLY 4 16.970 18.698 -9.786 15 HA2 GLY 4 1HA GLY 4 17.426 16.461 -10.015 16 HA3 GLY 4 2HA GLY 4 18.442 16.635 -8.591 17 H SER 5 H SER 5 17.819 14.536 -7.912 18 HA SER 5 HA SER 5 15.179 14.502 -6.619 19 HB2 SER 5 1HB SER 5 14.988 12.079 -7.173 20 HB3 SER 5 2HB SER 5 14.965 13.115 -8.600 21 HG SER 5 HG SER 5 17.137 11.584 -7.609 22 H SER 6 H SER 6 15.701 14.642 -4.528 23 HA SER 6 HA SER 6 17.752 12.793 -3.495 24 HB2 SER 6 1HB SER 6 18.536 15.091 -3.306 25 HB3 SER 6 2HB SER 6 17.044 15.560 -2.490 26 HG SER 6 HG SER 6 18.569 15.200 -0.922 27 H GLY 7 H GLY 7 17.411 12.005 -1.316 28 HA2 GLY 7 1HA GLY 7 15.624 12.180 0.542 29 HA3 GLY 7 2HA GLY 7 14.539 11.691 -0.752 30 H ALA 8 H ALA 8 14.906 10.259 1.654 31 HA ALA 8 HA ALA 8 16.523 7.940 0.905 32 HB1 ALA 8 1HB ALA 8 16.314 9.154 3.281 33 HB2 ALA 8 2HB ALA 8 15.038 7.949 3.460 34 HB3 ALA 8 3HB ALA 8 16.688 7.439 3.105 35 H LYS 9 H LYS 9 13.189 8.806 1.723 36 HA LYS 9 HA LYS 9 12.245 6.121 1.178 37 HB2 LYS 9 1HB LYS 9 10.037 7.005 1.757 38 HB3 LYS 9 2HB LYS 9 11.223 7.408 2.990 39 HG2 LYS 9 1HG LYS 9 11.415 9.624 1.548 40 HG3 LYS 9 2HG LYS 9 9.768 9.169 1.104 41 HD2 LYS 9 1HD LYS 9 9.315 10.402 2.968 42 HD3 LYS 9 2HD LYS 9 9.559 8.827 3.727 43 HE2 LYS 9 1HE LYS 9 11.626 9.405 4.567 44 HE3 LYS 9 2HE LYS 9 11.897 10.640 3.338 45 HZ1 LYS 9 1HZ LYS 9 9.689 11.480 4.742 46 HZ2 LYS 9 2HZ LYS 9 11.254 12.111 4.848 47 HZ3 LYS 9 3HZ LYS 9 10.754 10.906 5.925 48 H ASP 10 H ASP 10 13.490 7.101 -1.047 49 HA ASP 10 HA ASP 10 11.404 8.080 -2.843 50 HB2 ASP 10 1HB ASP 10 13.786 9.017 -2.796 51 HB3 ASP 10 2HB ASP 10 14.273 7.515 -3.578 52 H ALA 11 H ALA 11 13.780 5.427 -2.725 53 HA ALA 11 HA ALA 11 13.110 3.979 -4.920 54 HB1 ALA 11 1HB ALA 11 13.381 2.060 -2.879 55 HB2 ALA 11 2HB ALA 11 14.621 2.651 -3.986 56 HB3 ALA 11 3HB ALA 11 14.390 3.433 -2.422 57 H LEU 12 H LEU 12 11.425 3.886 -1.794 58 HA LEU 12 HA LEU 12 9.482 1.981 -2.664 59 HB2 LEU 12 1HB LEU 12 10.194 2.388 -0.289 60 HB3 LEU 12 2HB LEU 12 9.272 3.889 -0.344 61 HG LEU 12 HG LEU 12 7.245 2.454 -0.876 62 HD11 LEU 12 1HD1 LEU 12 7.309 0.135 -0.367 63 HD12 LEU 12 2HD1 LEU 12 8.972 0.242 0.209 64 HD13 LEU 12 3HD1 LEU 12 8.617 0.453 -1.505 65 HD21 LEU 12 1HD2 LEU 12 6.789 2.847 1.257 66 HD22 LEU 12 2HD2 LEU 12 8.504 3.117 1.568 67 HD23 LEU 12 3HD2 LEU 12 7.818 1.501 1.747 68 H LEU 13 H LEU 13 9.306 5.473 -1.962 69 HA LEU 13 HA LEU 13 6.711 6.000 -2.605 70 HB2 LEU 13 1HB LEU 13 8.228 7.697 -1.782 71 HB3 LEU 13 2HB LEU 13 9.139 7.650 -3.290 72 HG LEU 13 HG LEU 13 6.916 8.399 -4.383 73 HD11 LEU 13 1HD1 LEU 13 5.727 7.998 -2.122 74 HD12 LEU 13 2HD1 LEU 13 5.308 9.424 -3.071 75 HD13 LEU 13 3HD1 LEU 13 6.387 9.574 -1.684 76 HD21 LEU 13 1HD2 LEU 13 7.723 10.725 -2.918 77 HD22 LEU 13 2HD2 LEU 13 8.041 10.300 -4.600 78 HD23 LEU 13 3HD2 LEU 13 9.139 9.758 -3.330 79 H LEU 14 H LEU 14 9.419 5.685 -4.870 80 HA LEU 14 HA LEU 14 7.940 6.294 -7.201 81 HB2 LEU 14 1HB LEU 14 10.294 6.454 -7.309 82 HB3 LEU 14 2HB LEU 14 10.506 4.802 -6.731 83 HG LEU 14 HG LEU 14 9.498 4.017 -8.891 84 HD11 LEU 14 1HD1 LEU 14 9.165 5.467 -10.690 85 HD12 LEU 14 2HD1 LEU 14 10.033 6.787 -9.908 86 HD13 LEU 14 3HD1 LEU 14 8.441 6.308 -9.319 87 HD21 LEU 14 1HD2 LEU 14 11.952 4.136 -8.409 88 HD22 LEU 14 2HD2 LEU 14 11.978 5.691 -9.239 89 HD23 LEU 14 3HD2 LEU 14 11.529 4.229 -10.118 90 H TRP 15 H TRP 15 8.634 3.275 -5.515 91 HA TRP 15 HA TRP 15 7.718 1.461 -7.413 92 HB2 TRP 15 1HB TRP 15 8.893 0.920 -5.251 93 HB3 TRP 15 2HB TRP 15 7.359 1.182 -4.425 94 HD1 TRP 15 HD TRP 15 8.777 -1.100 -7.229 95 HE1 TRP 15 1HE TRP 15 7.575 -3.370 -7.080 96 HE3 TRP 15 3HE TRP 15 5.493 -0.036 -3.458 97 HZ2 TRP 15 2HZ TRP 15 5.507 -4.554 -5.566 98 HZ3 TRP 15 3HZ TRP 15 3.937 -1.792 -2.719 99 HH2 TRP 15 HH TRP 15 3.945 -4.003 -3.752 100 H CYS 16 H CYS 16 5.891 2.889 -4.702 101 HA CYS 16 HA CYS 16 3.409 1.777 -5.416 102 HB2 CYS 16 1HB CYS 16 3.652 4.413 -3.996 103 HB3 CYS 16 2HB CYS 16 2.471 3.131 -3.750 104 HG CYS 16 HG CYS 16 4.749 3.705 -1.764 105 H GLN 17 H GLN 17 5.033 4.734 -6.381 106 HA GLN 17 HA GLN 17 2.833 5.997 -7.611 107 HB2 GLN 17 1HB GLN 17 5.811 6.249 -7.923 108 HB3 GLN 17 2HB GLN 17 4.716 7.157 -8.958 109 HG2 GLN 17 1HG GLN 17 3.739 8.243 -7.037 110 HG3 GLN 17 2HG GLN 17 4.734 7.275 -5.951 111 HE21 GLN 17 1HE2 GLN 17 4.581 10.159 -6.206 112 HE22 GLN 17 2HE2 GLN 17 6.175 10.700 -6.591 113 H MET 18 H MET 18 5.326 3.816 -8.875 114 HA MET 18 HA MET 18 4.549 3.915 -11.572 115 HB2 MET 18 1HB MET 18 5.955 1.778 -9.971 116 HB3 MET 18 2HB MET 18 5.713 1.669 -11.709 117 HG2 MET 18 1HG MET 18 6.862 4.007 -11.729 118 HG3 MET 18 2HG MET 18 7.464 3.505 -10.151 119 HE1 MET 18 1HE MET 18 9.768 0.717 -10.650 120 HE2 MET 18 2HE MET 18 8.409 1.317 -9.701 121 HE3 MET 18 3HE MET 18 8.154 0.056 -10.909 122 H LYS 19 H LYS 19 3.685 1.611 -9.002 123 HA LYS 19 HA LYS 19 1.957 0.041 -10.590 124 HB2 LYS 19 1HB LYS 19 1.839 0.444 -7.596 125 HB3 LYS 19 2HB LYS 19 1.177 -0.911 -8.502 126 HG2 LYS 19 1HG LYS 19 4.087 -0.224 -8.155 127 HG3 LYS 19 2HG LYS 19 3.220 -1.579 -7.428 128 HD2 LYS 19 1HD LYS 19 2.695 -2.270 -9.850 129 HD3 LYS 19 2HD LYS 19 3.984 -1.153 -10.300 130 HE2 LYS 19 1HE LYS 19 5.593 -2.383 -9.050 131 HE3 LYS 19 2HE LYS 19 4.342 -3.367 -8.291 132 HZ1 LYS 19 1HZ LYS 19 3.817 -4.067 -10.692 133 HZ2 LYS 19 2HZ LYS 19 5.170 -4.740 -9.932 134 HZ3 LYS 19 3HZ LYS 19 5.365 -3.486 -11.051 135 H THR 20 H THR 20 1.174 2.484 -8.107 136 HA THR 20 HA THR 20 -1.569 2.552 -8.486 137 HB THR 20 HB THR 20 -1.563 4.751 -7.460 138 HG1 THR 20 1HG THR 20 1.271 4.725 -7.769 139 HG21 THR 20 1HG2 THR 20 -0.043 2.506 -6.406 140 HG22 THR 20 2HG2 THR 20 -1.236 3.534 -5.611 141 HG23 THR 20 3HG2 THR 20 0.449 4.045 -5.700 142 H ALA 21 H ALA 21 0.981 4.042 -10.355 143 HA ALA 21 HA ALA 21 -0.220 6.031 -11.749 144 HB1 ALA 21 1HB ALA 21 1.479 3.905 -13.046 145 HB2 ALA 21 2HB ALA 21 1.262 5.572 -13.582 146 HB3 ALA 21 3HB ALA 21 2.109 5.235 -12.074 147 H GLY 22 H GLY 22 -0.635 2.559 -12.320 148 HA2 GLY 22 1HA GLY 22 -2.001 2.440 -14.653 149 HA3 GLY 22 2HA GLY 22 -2.430 1.451 -13.266 150 H TYR 23 H TYR 23 -3.395 3.412 -11.540 151 HA TYR 23 HA TYR 23 -5.900 4.090 -12.901 152 HB2 TYR 23 1HB TYR 23 -5.572 4.377 -9.951 153 HB3 TYR 23 2HB TYR 23 -6.982 3.878 -10.879 154 HD1 TYR 23 2HD TYR 23 -3.701 2.747 -9.595 155 HD2 TYR 23 1HD TYR 23 -7.429 1.588 -11.288 156 HE1 TYR 23 2HE TYR 23 -3.191 0.393 -9.094 157 HE2 TYR 23 1HE TYR 23 -6.930 -0.768 -10.790 158 HH TYR 23 HH TYR 23 -5.059 -1.860 -8.749 159 HA PRO 24 HA PRO 24 -4.899 8.384 -12.929 160 HB2 PRO 24 1HB PRO 24 -7.412 9.371 -13.222 161 HB3 PRO 24 2HB PRO 24 -6.527 8.590 -14.538 162 HG2 PRO 24 1HG PRO 24 -8.633 7.457 -12.737 163 HG3 PRO 24 2HG PRO 24 -8.437 7.263 -14.489 164 HD2 PRO 24 1HD PRO 24 -7.665 5.367 -12.716 165 HD3 PRO 24 2HD PRO 24 -6.818 5.638 -14.253 166 H ASN 25 H ASN 25 -7.766 7.496 -10.995 167 HA ASN 25 HA ASN 25 -7.737 9.723 -9.305 168 HB2 ASN 25 1HB ASN 25 -9.569 7.957 -9.590 169 HB3 ASN 25 2HB ASN 25 -8.651 6.981 -8.447 170 HD21 ASN 25 1HD2 ASN 25 -9.793 10.329 -8.765 171 HD22 ASN 25 2HD2 ASN 25 -10.354 10.469 -7.137 172 H VAL 26 H VAL 26 -6.228 6.535 -8.928 173 HA VAL 26 HA VAL 26 -5.131 7.066 -6.360 174 HB VAL 26 HB VAL 26 -4.070 5.060 -8.345 175 HG11 VAL 26 1HG1 VAL 26 -2.868 5.614 -6.147 176 HG12 VAL 26 2HG1 VAL 26 -4.216 4.790 -5.361 177 HG13 VAL 26 3HG1 VAL 26 -3.195 3.919 -6.505 178 HG21 VAL 26 1HG2 VAL 26 -6.681 5.160 -7.681 179 HG22 VAL 26 2HG2 VAL 26 -5.812 3.661 -8.016 180 HG23 VAL 26 3HG2 VAL 26 -6.056 4.186 -6.350 181 H ASN 27 H ASN 27 -3.455 8.302 -5.851 182 HA ASN 27 HA ASN 27 -1.202 8.540 -7.685 183 HB2 ASN 27 1HB ASN 27 -2.840 10.880 -6.707 184 HB3 ASN 27 2HB ASN 27 -1.198 11.054 -7.319 185 HD21 ASN 27 1HD2 ASN 27 -0.875 11.163 -9.451 186 HD22 ASN 27 2HD2 ASN 27 -2.104 10.962 -10.648 187 H VAL 28 H VAL 28 0.588 8.197 -6.563 188 HA VAL 28 HA VAL 28 0.571 8.722 -3.671 189 HB VAL 28 HB VAL 28 2.510 7.013 -5.234 190 HG11 VAL 28 1HG1 VAL 28 2.689 8.092 -2.672 191 HG12 VAL 28 2HG1 VAL 28 2.212 6.411 -2.429 192 HG13 VAL 28 3HG1 VAL 28 3.668 6.790 -3.348 193 HG21 VAL 28 1HG2 VAL 28 0.330 6.015 -5.390 194 HG22 VAL 28 2HG2 VAL 28 1.282 5.102 -4.220 195 HG23 VAL 28 3HG2 VAL 28 0.055 6.239 -3.661 196 H HIS 29 H HIS 29 1.047 10.939 -3.771 197 HA HIS 29 HA HIS 29 3.567 11.731 -5.021 198 HB2 HIS 29 1HB HIS 29 1.457 13.429 -3.670 199 HB3 HIS 29 2HB HIS 29 2.851 14.029 -4.566 200 HD1 HIS 29 1HD HIS 29 -0.288 14.449 -5.216 201 HD2 HIS 29 2HD HIS 29 2.387 11.947 -7.177 202 HE1 HIS 29 1HE HIS 29 -1.253 14.102 -7.512 203 HE2 HIS 29 2HE HIS 29 0.339 12.516 -8.651 204 H ASN 30 H ASN 30 2.019 11.517 -1.864 205 HA ASN 30 HA ASN 30 4.663 11.859 -0.626 206 HB2 ASN 30 1HB ASN 30 3.161 12.905 1.318 207 HB3 ASN 30 2HB ASN 30 3.839 13.893 0.027 208 HD21 ASN 30 1HD2 ASN 30 1.017 11.770 0.406 209 HD22 ASN 30 2HD2 ASN 30 -0.130 12.905 -0.212 210 H PHE 31 H PHE 31 4.221 11.347 1.925 211 HA PHE 31 HA PHE 31 2.930 8.698 1.931 212 HB2 PHE 31 1HB PHE 31 5.406 9.721 3.294 213 HB3 PHE 31 2HB PHE 31 4.543 8.323 3.929 214 HD1 PHE 31 2HD PHE 31 3.875 6.607 1.910 215 HD2 PHE 31 1HD PHE 31 7.226 9.230 2.006 216 HE1 PHE 31 2HE PHE 31 5.053 5.154 0.314 217 HE2 PHE 31 1HE PHE 31 8.410 7.781 0.408 218 HZ PHE 31 HZ PHE 31 7.324 5.739 -0.439 219 H THR 32 H THR 32 1.738 11.344 2.530 220 HA THR 32 HA THR 32 0.774 10.709 5.234 221 HB THR 32 HB THR 32 0.675 13.050 5.836 222 HG1 THR 32 1HG THR 32 0.763 14.536 4.340 223 HG21 THR 32 1HG2 THR 32 3.358 12.168 4.778 224 HG22 THR 32 2HG2 THR 32 2.742 12.019 6.423 225 HG23 THR 32 3HG2 THR 32 3.133 13.609 5.769 226 H THR 33 H THR 33 0.050 13.149 2.737 227 HA THR 33 HA THR 33 -2.793 12.660 3.087 228 HB THR 33 HB THR 33 -3.122 14.567 1.582 229 HG1 THR 33 1HG THR 33 -0.348 15.038 1.517 230 HG21 THR 33 1HG2 THR 33 -1.495 14.708 4.027 231 HG22 THR 33 2HG2 THR 33 -2.984 15.553 3.606 232 HG23 THR 33 3HG2 THR 33 -1.434 16.149 3.013 233 H SER 34 H SER 34 -1.207 10.550 1.907 234 HA SER 34 HA SER 34 -2.452 10.448 -0.762 235 HB2 SER 34 1HB SER 34 -0.037 10.605 -1.011 236 HB3 SER 34 2HB SER 34 0.194 9.265 0.112 237 HG SER 34 HG SER 34 0.094 8.067 -1.606 238 H TRP 35 H TRP 35 -1.837 8.869 2.257 239 HA TRP 35 HA TRP 35 -3.357 6.517 1.339 240 HB2 TRP 35 1HB TRP 35 -1.614 6.597 3.797 241 HB3 TRP 35 2HB TRP 35 -2.225 5.187 2.937 242 HD1 TRP 35 HD TRP 35 0.398 7.987 2.553 243 HE1 TRP 35 1HE TRP 35 2.238 7.153 0.959 244 HE3 TRP 35 3HE TRP 35 -1.699 3.541 1.152 245 HZ2 TRP 35 2HZ TRP 35 2.734 4.906 -0.677 246 HZ3 TRP 35 3HZ TRP 35 -0.478 2.108 -0.432 247 HH2 TRP 35 HH TRP 35 1.693 2.779 -1.327 248 H ARG 36 H ARG 36 -3.830 9.323 2.862 249 HA ARG 36 HA ARG 36 -5.116 8.657 5.271 250 HB2 ARG 36 1HB ARG 36 -4.476 10.935 4.844 251 HB3 ARG 36 2HB ARG 36 -5.484 11.000 3.405 252 HG2 ARG 36 1HG ARG 36 -6.804 10.388 5.990 253 HG3 ARG 36 2HG ARG 36 -6.251 12.040 5.709 254 HD2 ARG 36 1HD ARG 36 -8.059 10.466 3.877 255 HD3 ARG 36 2HD ARG 36 -8.592 11.696 5.023 256 HE ARG 36 HE ARG 36 -6.614 12.667 3.199 257 HH11 ARG 36 1HH1 ARG 36 -10.009 12.014 3.608 258 HH12 ARG 36 2HH1 ARG 36 -10.509 13.181 2.429 259 HH21 ARG 36 1HH2 ARG 36 -7.258 14.206 1.644 260 HH22 ARG 36 2HH2 ARG 36 -8.944 14.427 1.311 261 H ASP 37 H ASP 37 -6.335 8.981 1.966 262 HA ASP 37 HA ASP 37 -9.066 8.574 2.629 263 HB2 ASP 37 1HB ASP 37 -8.815 9.583 0.560 264 HB3 ASP 37 2HB ASP 37 -7.466 8.549 0.101 265 H GLY 38 H GLY 38 -6.789 6.396 0.938 266 HA2 GLY 38 1HA GLY 38 -6.707 4.127 2.162 267 HA3 GLY 38 2HA GLY 38 -8.435 4.131 1.842 268 H LEU 39 H LEU 39 -8.492 5.160 -0.728 269 HA LEU 39 HA LEU 39 -8.395 3.076 -2.389 270 HB2 LEU 39 1HB LEU 39 -7.715 5.944 -2.908 271 HB3 LEU 39 2HB LEU 39 -7.662 4.762 -4.214 272 HG LEU 39 HG LEU 39 -10.112 5.318 -2.548 273 HD11 LEU 39 1HD1 LEU 39 -10.928 6.575 -4.486 274 HD12 LEU 39 2HD1 LEU 39 -9.358 6.385 -5.267 275 HD13 LEU 39 3HD1 LEU 39 -9.495 7.321 -3.778 276 HD21 LEU 39 1HD2 LEU 39 -9.814 3.920 -5.202 277 HD22 LEU 39 2HD2 LEU 39 -11.284 4.084 -4.240 278 HD23 LEU 39 3HD2 LEU 39 -9.948 3.095 -3.650 279 H ALA 40 H ALA 40 -5.594 5.231 -1.918 280 HA ALA 40 HA ALA 40 -3.693 4.221 -3.489 281 HB1 ALA 40 1HB ALA 40 -2.522 5.619 -2.223 282 HB2 ALA 40 2HB ALA 40 -3.693 5.492 -0.909 283 HB3 ALA 40 3HB ALA 40 -2.369 4.332 -1.027 284 H PHE 41 H PHE 41 -4.377 2.788 -0.290 285 HA PHE 41 HA PHE 41 -2.714 0.541 -0.657 286 HB2 PHE 41 1HB PHE 41 -5.029 1.080 1.199 287 HB3 PHE 41 2HB PHE 41 -4.128 -0.432 1.235 288 HD1 PHE 41 1HD PHE 41 -1.445 0.030 1.203 289 HD2 PHE 41 2HD PHE 41 -4.437 2.611 2.785 290 HE1 PHE 41 1HE PHE 41 0.231 1.063 2.680 291 HE2 PHE 41 2HE PHE 41 -2.766 3.649 4.263 292 HZ PHE 41 HZ PHE 41 -0.429 2.875 4.211 293 H ASN 42 H ASN 42 -6.138 1.097 -1.294 294 HA ASN 42 HA ASN 42 -6.693 -1.619 -2.001 295 HB2 ASN 42 1HB ASN 42 -8.266 0.885 -2.644 296 HB3 ASN 42 2HB ASN 42 -8.859 -0.769 -2.750 297 HD21 ASN 42 1HD2 ASN 42 -8.669 1.945 -0.847 298 HD22 ASN 42 2HD2 ASN 42 -9.095 1.241 0.673 299 H ALA 43 H ALA 43 -4.834 0.613 -3.490 300 HA ALA 43 HA ALA 43 -5.644 -0.102 -6.215 301 HB1 ALA 43 1HB ALA 43 -3.420 1.639 -6.260 302 HB2 ALA 43 2HB ALA 43 -5.097 1.995 -6.682 303 HB3 ALA 43 3HB ALA 43 -4.532 2.239 -5.029 304 H ILE 44 H ILE 44 -2.982 -0.405 -3.939 305 HA ILE 44 HA ILE 44 -1.094 -1.491 -5.745 306 HB ILE 44 HB ILE 44 -1.287 -1.854 -2.752 307 HG12 ILE 44 1HG1 ILE 44 0.461 0.054 -4.313 308 HG13 ILE 44 2HG1 ILE 44 -1.100 0.511 -3.639 309 HG21 ILE 44 1HG2 ILE 44 0.190 -3.507 -3.333 310 HG22 ILE 44 2HG2 ILE 44 0.746 -2.656 -4.773 311 HG23 ILE 44 3HG2 ILE 44 1.292 -2.140 -3.177 312 HD11 ILE 44 1HD1 ILE 44 0.659 1.223 -2.169 313 HD12 ILE 44 2HD1 ILE 44 -0.258 -0.071 -1.397 314 HD13 ILE 44 3HD1 ILE 44 1.319 -0.411 -2.109 315 H VAL 45 H VAL 45 -3.328 -3.019 -3.438 316 HA VAL 45 HA VAL 45 -2.603 -5.679 -4.009 317 HB VAL 45 HB VAL 45 -5.238 -4.613 -2.985 318 HG11 VAL 45 1HG1 VAL 45 -4.629 -7.180 -3.886 319 HG12 VAL 45 2HG1 VAL 45 -4.535 -7.275 -2.126 320 HG13 VAL 45 3HG1 VAL 45 -6.010 -6.697 -2.902 321 HG21 VAL 45 1HG2 VAL 45 -2.708 -5.485 -1.618 322 HG22 VAL 45 2HG2 VAL 45 -3.576 -3.958 -1.455 323 HG23 VAL 45 3HG2 VAL 45 -4.261 -5.437 -0.782 324 H HIS 46 H HIS 46 -5.623 -4.027 -4.951 325 HA HIS 46 HA HIS 46 -6.740 -5.758 -6.653 326 HB2 HIS 46 1HB HIS 46 -7.681 -3.546 -6.263 327 HB3 HIS 46 2HB HIS 46 -6.380 -2.802 -7.190 328 HD1 HIS 46 1HD HIS 46 -6.439 -3.164 -9.793 329 HD2 HIS 46 2HD HIS 46 -9.785 -4.542 -7.752 330 HE1 HIS 46 1HE HIS 46 -8.192 -3.544 -11.554 331 HE2 HIS 46 2HE HIS 46 -10.235 -4.296 -10.286 332 H LYS 47 H LYS 47 -3.875 -3.840 -7.356 333 HA LYS 47 HA LYS 47 -3.654 -4.419 -10.092 334 HB2 LYS 47 1HB LYS 47 -2.358 -2.672 -8.849 335 HB3 LYS 47 2HB LYS 47 -1.383 -3.958 -8.152 336 HG2 LYS 47 1HG LYS 47 -0.045 -3.374 -9.889 337 HG3 LYS 47 2HG LYS 47 -1.038 -4.592 -10.693 338 HD2 LYS 47 1HD LYS 47 -2.278 -3.005 -11.844 339 HD3 LYS 47 2HD LYS 47 -1.879 -1.720 -10.701 340 HE2 LYS 47 1HE LYS 47 -0.696 -1.337 -12.761 341 HE3 LYS 47 2HE LYS 47 0.460 -1.789 -11.510 342 HZ1 LYS 47 1HZ LYS 47 0.773 -2.885 -13.724 343 HZ2 LYS 47 2HZ LYS 47 -0.662 -3.735 -13.444 344 HZ3 LYS 47 3HZ LYS 47 0.662 -3.946 -12.411 345 H HIS 48 H HIS 48 -2.294 -6.069 -7.257 346 HA HIS 48 HA HIS 48 -1.078 -8.130 -8.853 347 HB2 HIS 48 1HB HIS 48 -1.555 -8.233 -5.877 348 HB3 HIS 48 2HB HIS 48 -0.303 -9.053 -6.806 349 HD1 HIS 48 1HD HIS 48 1.111 -6.933 -8.273 350 HD2 HIS 48 2HD HIS 48 -0.350 -6.306 -4.434 351 HE1 HIS 48 1HE HIS 48 2.452 -5.016 -7.348 352 HE2 HIS 48 2HE HIS 48 1.609 -4.712 -4.994 353 H ARG 49 H ARG 49 -3.901 -7.891 -6.720 354 HA ARG 49 HA ARG 49 -4.974 -10.303 -8.011 355 HB2 ARG 49 1HB ARG 49 -5.328 -9.687 -5.078 356 HB3 ARG 49 2HB ARG 49 -5.805 -11.149 -5.931 357 HG2 ARG 49 1HG ARG 49 -2.932 -10.385 -5.922 358 HG3 ARG 49 2HG ARG 49 -3.636 -11.075 -4.458 359 HD2 ARG 49 1HD ARG 49 -3.754 -12.329 -7.199 360 HD3 ARG 49 2HD ARG 49 -2.609 -12.772 -5.933 361 HE ARG 49 HE ARG 49 -5.287 -12.949 -5.003 362 HH11 ARG 49 1HH1 ARG 49 -2.919 -14.583 -6.965 363 HH12 ARG 49 2HH1 ARG 49 -3.607 -16.155 -6.715 364 HH21 ARG 49 1HH2 ARG 49 -6.200 -15.012 -4.668 365 HH22 ARG 49 2HH2 ARG 49 -5.473 -16.397 -5.410 366 HA PRO 50 HA PRO 50 -8.030 -6.924 -8.467 367 HB2 PRO 50 1HB PRO 50 -8.986 -7.834 -10.839 368 HB3 PRO 50 2HB PRO 50 -7.542 -6.823 -10.710 369 HG2 PRO 50 1HG PRO 50 -7.754 -9.793 -11.023 370 HG3 PRO 50 2HG PRO 50 -6.654 -8.658 -11.828 371 HD2 PRO 50 1HD PRO 50 -5.890 -10.185 -9.726 372 HD3 PRO 50 2HD PRO 50 -5.225 -8.565 -10.022 373 H ASP 51 H ASP 51 -8.154 -10.120 -7.694 374 HA ASP 51 HA ASP 51 -11.026 -10.457 -8.035 375 HB2 ASP 51 1HB ASP 51 -9.256 -12.385 -6.565 376 HB3 ASP 51 2HB ASP 51 -10.718 -12.708 -7.493 377 H LEU 52 H LEU 52 -8.656 -10.252 -5.401 378 HA LEU 52 HA LEU 52 -10.163 -10.645 -3.187 379 HB2 LEU 52 1HB LEU 52 -8.200 -8.388 -3.561 380 HB3 LEU 52 2HB LEU 52 -8.738 -9.043 -2.016 381 HG LEU 52 HG LEU 52 -7.043 -10.435 -4.085 382 HD11 LEU 52 1HD1 LEU 52 -5.494 -9.219 -2.984 383 HD12 LEU 52 2HD1 LEU 52 -5.647 -10.514 -1.797 384 HD13 LEU 52 3HD1 LEU 52 -6.515 -8.997 -1.563 385 HD21 LEU 52 1HD2 LEU 52 -7.841 -12.343 -3.268 386 HD22 LEU 52 2HD2 LEU 52 -8.751 -11.504 -2.012 387 HD23 LEU 52 3HD2 LEU 52 -7.061 -11.929 -1.742 388 H LEU 53 H LEU 53 -9.719 -7.385 -4.574 389 HA LEU 53 HA LEU 53 -12.437 -6.731 -3.642 390 HB2 LEU 53 1HB LEU 53 -11.723 -4.496 -3.152 391 HB3 LEU 53 2HB LEU 53 -10.682 -5.636 -2.301 392 HG LEU 53 HG LEU 53 -9.887 -4.332 -4.896 393 HD11 LEU 53 1HD1 LEU 53 -8.687 -3.343 -2.407 394 HD12 LEU 53 2HD1 LEU 53 -10.376 -2.899 -2.648 395 HD13 LEU 53 3HD1 LEU 53 -9.171 -2.473 -3.863 396 HD21 LEU 53 1HD2 LEU 53 -8.313 -5.917 -4.694 397 HD22 LEU 53 2HD2 LEU 53 -8.671 -6.200 -2.990 398 HD23 LEU 53 3HD2 LEU 53 -7.635 -4.851 -3.462 399 H ASP 54 H ASP 54 -13.424 -4.881 -4.839 400 HA ASP 54 HA ASP 54 -12.650 -4.979 -7.681 401 HB2 ASP 54 1HB ASP 54 -15.392 -4.681 -6.438 402 HB3 ASP 54 2HB ASP 54 -15.062 -4.499 -8.159 403 H PHE 55 H PHE 55 -11.261 -3.176 -7.452 404 HA PHE 55 HA PHE 55 -11.661 -0.765 -6.290 405 HB2 PHE 55 1HB PHE 55 -9.768 -1.658 -7.911 406 HB3 PHE 55 2HB PHE 55 -10.661 -0.720 -9.103 407 HD1 PHE 55 1HD PHE 55 -8.823 -0.525 -5.911 408 HD2 PHE 55 2HD PHE 55 -10.533 1.637 -9.155 409 HE1 PHE 55 1HE PHE 55 -7.688 1.519 -5.144 410 HE2 PHE 55 2HE PHE 55 -9.400 3.683 -8.394 411 HZ PHE 55 HZ PHE 55 -7.975 3.627 -6.386 412 H GLU 56 H GLU 56 -13.039 -1.830 -9.368 413 HA GLU 56 HA GLU 56 -14.195 0.562 -10.191 414 HB2 GLU 56 1HB GLU 56 -14.824 -2.322 -10.660 415 HB3 GLU 56 2HB GLU 56 -15.972 -1.106 -11.201 416 HG2 GLU 56 1HG GLU 56 -13.063 -1.122 -11.963 417 HG3 GLU 56 2HG GLU 56 -14.344 -1.853 -12.930 418 H SER 57 H SER 57 -15.381 -1.876 -7.937 419 HA SER 57 HA SER 57 -17.949 -0.658 -7.600 420 HB2 SER 57 1HB SER 57 -16.454 -2.818 -6.123 421 HB3 SER 57 2HB SER 57 -18.009 -2.214 -5.549 422 HG SER 57 HG SER 57 -18.348 -3.989 -6.883 423 H LEU 58 H LEU 58 -14.865 -0.526 -5.915 424 HA LEU 58 HA LEU 58 -15.662 0.775 -3.583 425 HB2 LEU 58 1HB LEU 58 -13.078 1.114 -5.097 426 HB3 LEU 58 2HB LEU 58 -13.351 1.545 -3.410 427 HG LEU 58 HG LEU 58 -13.457 -1.260 -4.519 428 HD11 LEU 58 1HD1 LEU 58 -11.278 -1.524 -4.066 429 HD12 LEU 58 2HD1 LEU 58 -11.353 -0.525 -2.615 430 HD13 LEU 58 3HD1 LEU 58 -11.208 0.233 -4.201 431 HD21 LEU 58 1HD2 LEU 58 -13.379 -0.346 -1.651 432 HD22 LEU 58 2HD2 LEU 58 -13.626 -1.983 -2.260 433 HD23 LEU 58 3HD2 LEU 58 -14.867 -0.753 -2.505 434 H LYS 59 H LYS 59 -15.425 3.014 -2.963 435 HA LYS 59 HA LYS 59 -15.848 4.881 -5.203 436 HB2 LYS 59 1HB LYS 59 -17.855 4.277 -3.664 437 HB3 LYS 59 2HB LYS 59 -17.053 5.307 -2.486 438 HG2 LYS 59 1HG LYS 59 -18.536 6.751 -3.510 439 HG3 LYS 59 2HG LYS 59 -17.030 7.064 -4.376 440 HD2 LYS 59 1HD LYS 59 -18.557 6.875 -6.104 441 HD3 LYS 59 2HD LYS 59 -17.900 5.239 -6.013 442 HE2 LYS 59 1HE LYS 59 -20.309 5.916 -4.396 443 HE3 LYS 59 2HE LYS 59 -20.496 5.665 -6.130 444 HZ1 LYS 59 1HZ LYS 59 -19.054 3.540 -5.523 445 HZ2 LYS 59 2HZ LYS 59 -20.743 3.541 -5.450 446 HZ3 LYS 59 3HZ LYS 59 -19.837 3.750 -4.038 447 H LYS 60 H LYS 60 -15.081 7.023 -4.926 448 HA LYS 60 HA LYS 60 -12.734 7.166 -3.208 449 HB2 LYS 60 1HB LYS 60 -12.468 9.409 -4.483 450 HB3 LYS 60 2HB LYS 60 -12.198 7.902 -5.349 451 HG2 LYS 60 1HG LYS 60 -14.929 9.065 -5.394 452 HG3 LYS 60 2HG LYS 60 -13.669 9.846 -6.353 453 HD2 LYS 60 1HD LYS 60 -13.935 6.890 -6.537 454 HD3 LYS 60 2HD LYS 60 -15.160 7.884 -7.331 455 HE2 LYS 60 1HE LYS 60 -12.192 8.208 -7.744 456 HE3 LYS 60 2HE LYS 60 -13.233 7.241 -8.788 457 HZ1 LYS 60 1HZ LYS 60 -14.327 9.108 -9.564 458 HZ2 LYS 60 2HZ LYS 60 -12.733 9.656 -9.441 459 HZ3 LYS 60 3HZ LYS 60 -13.863 10.072 -8.253 460 H CYS 61 H CYS 61 -15.225 7.233 -1.868 461 HA CYS 61 HA CYS 61 -15.205 9.991 -0.832 462 HB2 CYS 61 1HB CYS 61 -17.304 9.461 -2.035 463 HB3 CYS 61 2HB CYS 61 -17.572 8.110 -0.938 464 HG CYS 61 HG CYS 61 -17.363 11.351 0.134 465 H ASN 62 H ASN 62 -16.236 6.700 0.093 466 HA ASN 62 HA ASN 62 -15.862 7.227 2.882 467 HB2 ASN 62 1HB ASN 62 -17.422 5.487 1.631 468 HB3 ASN 62 2HB ASN 62 -16.020 4.438 1.826 469 HD21 ASN 62 1HD2 ASN 62 -17.458 6.925 3.901 470 HD22 ASN 62 2HD2 ASN 62 -17.684 5.894 5.271 471 H ALA 63 H ALA 63 -14.102 6.938 4.100 472 HA ALA 63 HA ALA 63 -11.762 5.660 2.848 473 HB1 ALA 63 1HB ALA 63 -10.803 7.109 4.990 474 HB2 ALA 63 2HB ALA 63 -10.771 7.606 3.298 475 HB3 ALA 63 3HB ALA 63 -12.090 8.128 4.346 476 H HIS 64 H HIS 64 -13.186 6.235 6.070 477 HA HIS 64 HA HIS 64 -11.808 4.590 7.671 478 HB2 HIS 64 1HB HIS 64 -14.027 5.884 8.104 479 HB3 HIS 64 2HB HIS 64 -14.800 4.347 7.725 480 HD1 HIS 64 1HD HIS 64 -12.230 2.847 9.204 481 HD2 HIS 64 2HD HIS 64 -14.968 5.548 10.775 482 HE1 HIS 64 1HE HIS 64 -12.220 2.449 11.687 483 HE2 HIS 64 2HE HIS 64 -13.946 4.036 12.607 484 H TYR 65 H TYR 65 -14.242 3.515 5.337 485 HA TYR 65 HA TYR 65 -13.929 0.741 6.029 486 HB2 TYR 65 1HB TYR 65 -16.071 1.279 5.230 487 HB3 TYR 65 2HB TYR 65 -15.435 2.219 3.885 488 HD1 TYR 65 1HD TYR 65 -16.094 -1.177 5.134 489 HD2 TYR 65 2HD TYR 65 -14.780 1.157 1.828 490 HE1 TYR 65 1HE TYR 65 -16.309 -3.141 3.670 491 HE2 TYR 65 2HE TYR 65 -14.994 -0.800 0.354 492 HH TYR 65 HH TYR 65 -15.560 -2.937 0.201 493 H ASN 66 H ASN 66 -13.238 2.610 3.067 494 HA ASN 66 HA ASN 66 -11.939 0.724 1.587 495 HB2 ASN 66 1HB ASN 66 -11.566 3.686 1.843 496 HB3 ASN 66 2HB ASN 66 -10.467 2.761 0.823 497 HD21 ASN 66 1HD2 ASN 66 -11.758 4.544 -0.510 498 HD22 ASN 66 2HD2 ASN 66 -13.085 3.896 -1.406 499 H LEU 67 H LEU 67 -10.780 2.335 4.442 500 HA LEU 67 HA LEU 67 -8.035 1.551 4.092 501 HB2 LEU 67 1HB LEU 67 -9.585 2.737 6.375 502 HB3 LEU 67 2HB LEU 67 -7.894 2.266 6.534 503 HG LEU 67 HG LEU 67 -8.760 4.195 4.407 504 HD11 LEU 67 1HD1 LEU 67 -8.970 5.924 5.810 505 HD12 LEU 67 2HD1 LEU 67 -7.668 5.362 6.857 506 HD13 LEU 67 3HD1 LEU 67 -9.290 4.693 7.032 507 HD21 LEU 67 1HD2 LEU 67 -6.384 5.009 4.952 508 HD22 LEU 67 2HD2 LEU 67 -6.564 3.498 4.059 509 HD23 LEU 67 3HD2 LEU 67 -6.199 3.465 5.784 510 H GLN 68 H GLN 68 -10.497 0.672 6.526 511 HA GLN 68 HA GLN 68 -9.147 -1.428 7.703 512 HB2 GLN 68 1HB GLN 68 -11.134 -1.975 8.738 513 HB3 GLN 68 2HB GLN 68 -11.455 -0.315 8.253 514 HG2 GLN 68 1HG GLN 68 -12.744 -1.041 6.376 515 HG3 GLN 68 2HG GLN 68 -12.290 -2.722 6.655 516 HE21 GLN 68 1HE2 GLN 68 -14.919 -1.980 6.444 517 HE22 GLN 68 2HE2 GLN 68 -15.694 -2.150 7.979 518 H ASN 69 H ASN 69 -11.230 -1.473 4.842 519 HA ASN 69 HA ASN 69 -11.303 -4.228 4.419 520 HB2 ASN 69 1HB ASN 69 -12.660 -2.471 3.215 521 HB3 ASN 69 2HB ASN 69 -11.233 -2.137 2.239 522 HD21 ASN 69 1HD2 ASN 69 -11.061 -3.202 0.410 523 HD22 ASN 69 2HD2 ASN 69 -11.861 -4.682 0.015 524 H ALA 70 H ALA 70 -9.041 -1.815 3.103 525 HA ALA 70 HA ALA 70 -7.450 -3.616 1.651 526 HB1 ALA 70 1HB ALA 70 -6.852 -1.571 0.961 527 HB2 ALA 70 2HB ALA 70 -7.267 -0.823 2.504 528 HB3 ALA 70 3HB ALA 70 -5.708 -1.623 2.302 529 H PHE 71 H PHE 71 -6.990 -2.249 4.907 530 HA PHE 71 HA PHE 71 -4.599 -3.571 5.504 531 HB2 PHE 71 1HB PHE 71 -6.810 -2.592 7.318 532 HB3 PHE 71 2HB PHE 71 -5.258 -3.185 7.902 533 HD1 PHE 71 2HD PHE 71 -3.294 -2.038 6.201 534 HD2 PHE 71 1HD PHE 71 -6.934 -0.321 7.586 535 HE1 PHE 71 2HE PHE 71 -2.332 0.210 5.928 536 HE2 PHE 71 1HE PHE 71 -5.979 1.930 7.315 537 HZ PHE 71 HZ PHE 71 -3.675 2.199 6.486 538 H ASN 72 H ASN 72 -7.959 -4.564 5.922 539 HA ASN 72 HA ASN 72 -7.368 -6.958 7.343 540 HB2 ASN 72 1HB ASN 72 -9.817 -6.061 5.817 541 HB3 ASN 72 2HB ASN 72 -9.738 -7.571 6.719 542 HD21 ASN 72 1HD2 ASN 72 -11.136 -4.811 6.945 543 HD22 ASN 72 2HD2 ASN 72 -10.978 -4.443 8.626 544 H LEU 73 H LEU 73 -8.598 -6.511 4.021 545 HA LEU 73 HA LEU 73 -8.451 -9.014 3.036 546 HB2 LEU 73 1HB LEU 73 -7.880 -6.358 1.831 547 HB3 LEU 73 2HB LEU 73 -7.494 -7.795 0.887 548 HG LEU 73 HG LEU 73 -10.228 -7.207 2.013 549 HD11 LEU 73 1HD1 LEU 73 -9.618 -5.483 0.411 550 HD12 LEU 73 2HD1 LEU 73 -10.841 -6.557 -0.266 551 HD13 LEU 73 3HD1 LEU 73 -9.156 -6.715 -0.762 552 HD21 LEU 73 1HD2 LEU 73 -9.260 -9.587 1.248 553 HD22 LEU 73 2HD2 LEU 73 -9.792 -8.971 -0.317 554 HD23 LEU 73 3HD2 LEU 73 -10.941 -9.107 1.015 555 H ALA 74 H ALA 74 -5.692 -6.790 3.288 556 HA ALA 74 HA ALA 74 -3.806 -8.681 2.272 557 HB1 ALA 74 1HB ALA 74 -2.841 -6.684 1.963 558 HB2 ALA 74 2HB ALA 74 -3.751 -5.932 3.274 559 HB3 ALA 74 3HB ALA 74 -2.296 -6.861 3.632 560 H GLU 75 H GLU 75 -4.697 -7.555 5.514 561 HA GLU 75 HA GLU 75 -2.747 -9.010 6.928 562 HB2 GLU 75 1HB GLU 75 -3.934 -7.195 7.991 563 HB3 GLU 75 2HB GLU 75 -5.472 -8.021 7.778 564 HG2 GLU 75 1HG GLU 75 -3.348 -9.402 9.322 565 HG3 GLU 75 2HG GLU 75 -4.180 -8.043 10.075 566 H LYS 76 H LYS 76 -5.394 -10.086 5.170 567 HA LYS 76 HA LYS 76 -5.533 -12.600 6.697 568 HB2 LYS 76 1HB LYS 76 -7.646 -11.183 6.276 569 HB3 LYS 76 2HB LYS 76 -7.528 -11.744 4.614 570 HG2 LYS 76 1HG LYS 76 -9.047 -13.181 5.700 571 HG3 LYS 76 2HG LYS 76 -7.545 -14.092 5.521 572 HD2 LYS 76 1HD LYS 76 -8.108 -14.549 7.712 573 HD3 LYS 76 2HD LYS 76 -7.032 -13.164 7.907 574 HE2 LYS 76 1HE LYS 76 -9.263 -11.801 7.712 575 HE3 LYS 76 2HE LYS 76 -9.997 -13.329 8.198 576 HZ1 LYS 76 1HZ LYS 76 -7.853 -11.927 9.701 577 HZ2 LYS 76 2HZ LYS 76 -8.658 -13.335 10.181 578 HZ3 LYS 76 3HZ LYS 76 -9.499 -11.870 10.087 579 H GLU 77 H GLU 77 -5.914 -11.517 3.315 580 HA GLU 77 HA GLU 77 -5.301 -14.000 2.166 581 HB2 GLU 77 1HB GLU 77 -4.920 -11.256 0.956 582 HB3 GLU 77 2HB GLU 77 -5.021 -12.773 0.073 583 HG2 GLU 77 1HG GLU 77 -7.259 -11.862 1.837 584 HG3 GLU 77 2HG GLU 77 -7.096 -11.272 0.184 585 H LEU 78 H LEU 78 -3.236 -11.106 1.934 586 HA LEU 78 HA LEU 78 -0.911 -12.476 1.237 587 HB2 LEU 78 1HB LEU 78 -0.976 -9.895 2.777 588 HB3 LEU 78 2HB LEU 78 0.265 -10.456 1.659 589 HG LEU 78 HG LEU 78 -2.543 -9.709 0.849 590 HD11 LEU 78 1HD1 LEU 78 -0.030 -8.095 0.481 591 HD12 LEU 78 2HD1 LEU 78 -1.199 -7.809 1.769 592 HD13 LEU 78 3HD1 LEU 78 -1.683 -7.627 0.082 593 HD21 LEU 78 1HD2 LEU 78 -1.995 -10.745 -1.040 594 HD22 LEU 78 2HD2 LEU 78 -0.339 -11.005 -0.491 595 HD23 LEU 78 3HD2 LEU 78 -0.777 -9.495 -1.293 596 H GLY 79 H GLY 79 -2.032 -11.380 4.426 597 HA2 GLY 79 1HA GLY 79 -1.682 -12.636 6.413 598 HA3 GLY 79 2HA GLY 79 -0.312 -13.422 5.642 599 H LEU 80 H LEU 80 -0.958 -9.953 5.774 600 HA LEU 80 HA LEU 80 1.641 -9.585 7.063 601 HB2 LEU 80 1HB LEU 80 -0.210 -7.578 5.784 602 HB3 LEU 80 2HB LEU 80 1.398 -7.233 6.419 603 HG LEU 80 HG LEU 80 0.936 -9.178 4.171 604 HD11 LEU 80 1HD1 LEU 80 0.070 -7.218 3.253 605 HD12 LEU 80 2HD1 LEU 80 1.760 -7.209 2.752 606 HD13 LEU 80 3HD1 LEU 80 1.235 -6.195 4.095 607 HD21 LEU 80 1HD2 LEU 80 3.132 -8.753 5.705 608 HD22 LEU 80 2HD2 LEU 80 3.409 -7.608 4.392 609 HD23 LEU 80 3HD2 LEU 80 3.175 -9.320 4.035 610 H THR 81 H THR 81 1.916 -8.329 8.924 611 HA THR 81 HA THR 81 -0.291 -8.460 10.776 612 HB THR 81 HB THR 81 2.488 -7.345 11.198 613 HG1 THR 81 1HG THR 81 2.730 -9.498 10.794 614 HG21 THR 81 1HG2 THR 81 1.679 -8.181 13.622 615 HG22 THR 81 2HG2 THR 81 0.124 -7.699 12.940 616 HG23 THR 81 3HG2 THR 81 1.443 -6.532 13.041 617 H LYS 82 H LYS 82 -1.731 -6.901 11.061 618 HA LYS 82 HA LYS 82 -1.610 -4.399 9.786 619 HB2 LYS 82 1HB LYS 82 -3.373 -5.652 11.837 620 HB3 LYS 82 2HB LYS 82 -3.468 -3.909 11.626 621 HG2 LYS 82 1HG LYS 82 -3.782 -4.400 9.143 622 HG3 LYS 82 2HG LYS 82 -4.075 -6.068 9.638 623 HD2 LYS 82 1HD LYS 82 -5.575 -3.747 10.826 624 HD3 LYS 82 2HD LYS 82 -6.118 -4.577 9.366 625 HE2 LYS 82 1HE LYS 82 -5.458 -6.196 11.777 626 HE3 LYS 82 2HE LYS 82 -6.975 -5.297 11.751 627 HZ1 LYS 82 1HZ LYS 82 -7.850 -6.649 10.204 628 HZ2 LYS 82 2HZ LYS 82 -6.698 -7.752 10.766 629 HZ3 LYS 82 3HZ LYS 82 -6.392 -6.847 9.369 630 H LEU 83 H LEU 83 0.027 -3.042 10.256 631 HA LEU 83 HA LEU 83 0.860 -2.626 13.006 632 HB2 LEU 83 1HB LEU 83 1.892 -1.041 10.695 633 HB3 LEU 83 2HB LEU 83 2.723 -1.544 12.166 634 HG LEU 83 HG LEU 83 1.936 -3.463 9.983 635 HD11 LEU 83 1HD1 LEU 83 4.578 -2.070 10.389 636 HD12 LEU 83 2HD1 LEU 83 3.451 -1.784 9.064 637 HD13 LEU 83 3HD1 LEU 83 4.247 -3.349 9.220 638 HD21 LEU 83 1HD2 LEU 83 3.671 -3.612 12.428 639 HD22 LEU 83 2HD2 LEU 83 3.844 -4.748 11.091 640 HD23 LEU 83 3HD2 LEU 83 2.317 -4.646 11.971 641 H LEU 84 H LEU 84 -1.038 -1.052 10.557 642 HA LEU 84 HA LEU 84 -1.457 1.221 12.385 643 HB2 LEU 84 1HB LEU 84 -1.677 1.200 9.379 644 HB3 LEU 84 2HB LEU 84 -1.972 2.585 10.428 645 HG LEU 84 HG LEU 84 0.697 1.208 10.141 646 HD11 LEU 84 1HD1 LEU 84 0.691 3.840 9.086 647 HD12 LEU 84 2HD1 LEU 84 -0.629 2.946 8.333 648 HD13 LEU 84 3HD1 LEU 84 1.018 2.320 8.254 649 HD21 LEU 84 1HD2 LEU 84 0.197 2.453 12.270 650 HD22 LEU 84 2HD2 LEU 84 0.050 3.915 11.293 651 HD23 LEU 84 3HD2 LEU 84 1.583 3.045 11.355 652 H ASP 85 H ASP 85 -3.642 2.361 11.728 653 HA ASP 85 HA ASP 85 -5.697 0.288 11.345 654 HB2 ASP 85 1HB ASP 85 -5.490 2.373 13.496 655 HB3 ASP 85 2HB ASP 85 -7.068 1.771 12.993 656 HA PRO 86 HA PRO 86 -7.566 2.939 8.393 657 HB2 PRO 86 1HB PRO 86 -10.205 2.433 8.784 658 HB3 PRO 86 2HB PRO 86 -9.106 1.272 8.031 659 HG2 PRO 86 1HG PRO 86 -10.092 1.390 10.854 660 HG3 PRO 86 2HG PRO 86 -9.913 -0.017 9.789 661 HD2 PRO 86 1HD PRO 86 -8.106 0.594 11.711 662 HD3 PRO 86 2HD PRO 86 -7.649 -0.185 10.183 663 H GLU 87 H GLU 87 -7.885 3.491 11.688 664 HA GLU 87 HA GLU 87 -9.392 5.982 11.247 665 HB2 GLU 87 1HB GLU 87 -9.672 5.905 13.786 666 HB3 GLU 87 2HB GLU 87 -10.575 4.726 12.844 667 HG2 GLU 87 1HG GLU 87 -9.124 2.976 13.449 668 HG3 GLU 87 2HG GLU 87 -7.916 4.093 14.080 669 H ASP 88 H ASP 88 -6.491 4.578 12.639 670 HA ASP 88 HA ASP 88 -5.498 6.951 13.829 671 HB2 ASP 88 1HB ASP 88 -4.300 4.314 13.061 672 HB3 ASP 88 2HB ASP 88 -3.247 5.638 13.549 673 H VAL 89 H VAL 89 -4.814 5.364 10.722 674 HA VAL 89 HA VAL 89 -2.968 7.310 9.819 675 HB VAL 89 HB VAL 89 -4.642 5.330 8.273 676 HG11 VAL 89 1HG1 VAL 89 -2.953 5.741 6.453 677 HG12 VAL 89 2HG1 VAL 89 -4.087 7.062 6.743 678 HG13 VAL 89 3HG1 VAL 89 -2.436 7.163 7.358 679 HG21 VAL 89 1HG2 VAL 89 -1.736 5.285 9.084 680 HG22 VAL 89 2HG2 VAL 89 -3.027 4.333 9.818 681 HG23 VAL 89 3HG2 VAL 89 -2.567 4.050 8.138 682 H ASN 90 H ASN 90 -6.422 6.810 9.132 683 HA ASN 90 HA ASN 90 -6.808 8.889 7.339 684 HB2 ASN 90 1HB ASN 90 -8.530 7.226 7.773 685 HB3 ASN 90 2HB ASN 90 -8.718 7.811 9.425 686 HD21 ASN 90 1HD2 ASN 90 -10.954 7.718 8.126 687 HD22 ASN 90 2HD2 ASN 90 -11.473 9.268 7.568 688 H VAL 91 H VAL 91 -5.757 10.777 7.833 689 HA VAL 91 HA VAL 91 -7.077 12.527 9.687 690 HB VAL 91 HB VAL 91 -5.487 11.292 11.168 691 HG11 VAL 91 1HG1 VAL 91 -3.736 11.476 9.102 692 HG12 VAL 91 2HG1 VAL 91 -3.167 12.778 10.149 693 HG13 VAL 91 3HG1 VAL 91 -3.281 11.130 10.770 694 HG21 VAL 91 1HG2 VAL 91 -6.260 13.751 11.405 695 HG22 VAL 91 2HG2 VAL 91 -4.929 13.174 12.407 696 HG23 VAL 91 3HG2 VAL 91 -4.596 14.144 10.972 697 H ASP 92 H ASP 92 -6.139 14.738 9.628 698 HA ASP 92 HA ASP 92 -5.789 15.643 7.024 699 HB2 ASP 92 1HB ASP 92 -5.400 16.835 9.728 700 HB3 ASP 92 2HB ASP 92 -4.728 17.697 8.347 701 H GLN 93 H GLN 93 -3.324 15.263 9.569 702 HA GLN 93 HA GLN 93 -1.314 14.933 7.455 703 HB2 GLN 93 1HB GLN 93 -1.097 16.725 9.873 704 HB3 GLN 93 2HB GLN 93 0.288 16.234 8.907 705 HG2 GLN 93 1HG GLN 93 -2.063 17.555 7.621 706 HG3 GLN 93 2HG GLN 93 -0.838 18.511 8.453 707 HE21 GLN 93 1HE2 GLN 93 0.840 19.143 7.304 708 HE22 GLN 93 2HE2 GLN 93 1.359 18.461 5.804 709 HA PRO 94 HA PRO 94 -1.095 11.472 10.493 710 HB2 PRO 94 1HB PRO 94 -0.622 9.569 8.614 711 HB3 PRO 94 2HB PRO 94 -2.249 10.104 9.051 712 HG2 PRO 94 1HG PRO 94 -0.553 10.909 6.720 713 HG3 PRO 94 2HG PRO 94 -2.284 10.528 6.765 714 HD2 PRO 94 1HD PRO 94 -1.354 13.071 6.727 715 HD3 PRO 94 2HD PRO 94 -2.852 12.614 7.563 716 H ASP 95 H ASP 95 0.693 9.892 10.820 717 HA ASP 95 HA ASP 95 3.231 11.211 10.429 718 HB2 ASP 95 1HB ASP 95 2.260 8.872 12.013 719 HB3 ASP 95 2HB ASP 95 3.983 8.993 11.664 720 H GLU 96 H GLU 96 4.059 11.047 8.429 721 HA GLU 96 HA GLU 96 3.675 8.979 6.612 722 HB2 GLU 96 1HB GLU 96 5.363 9.963 5.302 723 HB3 GLU 96 2HB GLU 96 4.663 11.299 6.206 724 HG2 GLU 96 1HG GLU 96 6.601 10.734 7.892 725 HG3 GLU 96 2HG GLU 96 7.338 10.035 6.452 726 H LYS 97 H LYS 97 5.969 9.290 9.229 727 HA LYS 97 HA LYS 97 7.678 7.159 8.437 728 HB2 LYS 97 1HB LYS 97 7.213 8.461 11.123 729 HB3 LYS 97 2HB LYS 97 8.460 7.258 10.820 730 HG2 LYS 97 1HG LYS 97 8.268 9.856 9.318 731 HG3 LYS 97 2HG LYS 97 9.229 9.640 10.784 732 HD2 LYS 97 1HD LYS 97 10.778 8.325 9.737 733 HD3 LYS 97 2HD LYS 97 9.617 7.698 8.567 734 HE2 LYS 97 1HE LYS 97 9.811 9.546 7.189 735 HE3 LYS 97 2HE LYS 97 10.397 10.582 8.490 736 HZ1 LYS 97 1HZ LYS 97 12.498 10.003 8.092 737 HZ2 LYS 97 2HZ LYS 97 11.943 9.412 6.607 738 HZ3 LYS 97 3HZ LYS 97 12.132 8.361 7.920 739 H SER 98 H SER 98 4.650 7.335 10.113 740 HA SER 98 HA SER 98 4.845 4.651 11.182 741 HB2 SER 98 1HB SER 98 2.686 6.754 11.211 742 HB3 SER 98 2HB SER 98 2.399 5.118 11.802 743 HG SER 98 HG SER 98 3.606 5.507 13.502 744 H ILE 99 H ILE 99 3.992 6.068 8.243 745 HA ILE 99 HA ILE 99 2.223 3.853 7.490 746 HB ILE 99 HB ILE 99 2.864 6.413 6.020 747 HG12 ILE 99 1HG1 ILE 99 0.255 5.564 7.282 748 HG13 ILE 99 2HG1 ILE 99 1.447 6.550 8.121 749 HG21 ILE 99 1HG2 ILE 99 0.687 4.478 5.306 750 HG22 ILE 99 2HG2 ILE 99 1.379 5.776 4.335 751 HG23 ILE 99 3HG2 ILE 99 2.315 4.316 4.650 752 HD11 ILE 99 1HD1 ILE 99 0.098 8.180 7.304 753 HD12 ILE 99 2HD1 ILE 99 1.220 8.032 5.950 754 HD13 ILE 99 3HD1 ILE 99 -0.357 7.247 5.878 755 H ILE 100 H ILE 100 5.022 5.624 6.160 756 HA ILE 100 HA ILE 100 5.676 4.094 4.022 757 HB ILE 100 HB ILE 100 7.621 5.208 6.045 758 HG12 ILE 100 1HG1 ILE 100 6.985 6.449 3.394 759 HG13 ILE 100 2HG1 ILE 100 5.880 6.690 4.744 760 HG21 ILE 100 1HG2 ILE 100 8.488 3.428 4.444 761 HG22 ILE 100 2HG2 ILE 100 8.205 4.604 3.162 762 HG23 ILE 100 3HG2 ILE 100 9.340 4.972 4.461 763 HD11 ILE 100 1HD1 ILE 100 7.588 7.742 6.035 764 HD12 ILE 100 2HD1 ILE 100 8.815 7.335 4.834 765 HD13 ILE 100 3HD1 ILE 100 7.549 8.499 4.443 766 H THR 101 H THR 101 6.075 3.244 7.390 767 HA THR 101 HA THR 101 7.776 1.010 7.011 768 HB THR 101 HB THR 101 5.804 1.372 9.270 769 HG1 THR 101 1HG THR 101 7.776 2.360 10.266 770 HG21 THR 101 1HG2 THR 101 7.675 -0.644 8.673 771 HG22 THR 101 2HG2 THR 101 6.775 -0.418 10.173 772 HG23 THR 101 3HG2 THR 101 8.372 0.307 9.984 773 H TYR 102 H TYR 102 4.258 1.353 7.225 774 HA TYR 102 HA TYR 102 3.685 -1.418 7.103 775 HB2 TYR 102 1HB TYR 102 2.116 0.378 7.907 776 HB3 TYR 102 2HB TYR 102 1.882 0.843 6.226 777 HD1 TYR 102 2HD TYR 102 1.205 -1.182 4.635 778 HD2 TYR 102 1HD TYR 102 0.597 -1.082 8.844 779 HE1 TYR 102 2HE TYR 102 -0.573 -2.866 4.411 780 HE2 TYR 102 1HE TYR 102 -1.182 -2.768 8.633 781 HH TYR 102 HH TYR 102 -2.366 -4.033 7.250 782 H VAL 103 H VAL 103 3.238 1.098 4.611 783 HA VAL 103 HA VAL 103 2.634 -0.550 2.481 784 HB VAL 103 HB VAL 103 2.464 1.892 2.366 785 HG11 VAL 103 1HG1 VAL 103 4.584 3.165 1.816 786 HG12 VAL 103 2HG1 VAL 103 4.399 2.646 3.492 787 HG13 VAL 103 3HG1 VAL 103 5.468 1.759 2.405 788 HG21 VAL 103 1HG2 VAL 103 3.434 0.164 0.332 789 HG22 VAL 103 2HG2 VAL 103 2.426 1.602 0.164 790 HG23 VAL 103 3HG2 VAL 103 4.184 1.746 0.112 791 H ALA 104 H ALA 104 5.702 0.029 3.994 792 HA ALA 104 HA ALA 104 7.434 -0.756 1.934 793 HB1 ALA 104 1HB ALA 104 7.629 -0.158 4.721 794 HB2 ALA 104 2HB ALA 104 8.555 -1.618 4.370 795 HB3 ALA 104 3HB ALA 104 8.888 -0.128 3.486 796 H THR 105 H THR 105 5.432 -2.607 4.100 797 HA THR 105 HA THR 105 6.722 -5.109 3.790 798 HB THR 105 HB THR 105 4.822 -6.095 4.815 799 HG1 THR 105 1HG THR 105 3.300 -3.733 4.453 800 HG21 THR 105 1HG2 THR 105 4.213 -3.956 6.439 801 HG22 THR 105 2HG2 THR 105 5.805 -3.534 5.810 802 HG23 THR 105 3HG2 THR 105 5.569 -5.062 6.659 803 H TYR 106 H TYR 106 4.082 -3.522 2.056 804 HA TYR 106 HA TYR 106 3.249 -5.637 0.458 805 HB2 TYR 106 1HB TYR 106 3.265 -2.659 0.062 806 HB3 TYR 106 2HB TYR 106 2.693 -3.726 -1.214 807 HD1 TYR 106 1HD TYR 106 2.162 -4.764 2.222 808 HD2 TYR 106 2HD TYR 106 0.481 -2.621 -1.047 809 HE1 TYR 106 1HE TYR 106 -0.047 -4.862 3.301 810 HE2 TYR 106 2HE TYR 106 -1.732 -2.713 0.022 811 HH TYR 106 HH TYR 106 -2.726 -4.632 2.029 812 H TYR 107 H TYR 107 5.934 -3.393 0.026 813 HA TYR 107 HA TYR 107 6.626 -4.296 -2.586 814 HB2 TYR 107 1HB TYR 107 7.390 -2.138 -2.066 815 HB3 TYR 107 2HB TYR 107 8.025 -2.639 -0.503 816 HD1 TYR 107 2HD TYR 107 8.543 -3.283 -4.146 817 HD2 TYR 107 1HD TYR 107 10.306 -2.953 -0.288 818 HE1 TYR 107 2HE TYR 107 10.772 -3.559 -5.148 819 HE2 TYR 107 1HE TYR 107 12.540 -3.227 -1.279 820 HH TYR 107 HH TYR 107 13.630 -3.963 -3.188 821 H HIS 108 H HIS 108 8.196 -4.779 0.581 822 HA HIS 108 HA HIS 108 10.134 -6.592 -0.230 823 HB2 HIS 108 1HB HIS 108 8.742 -6.115 2.385 824 HB3 HIS 108 2HB HIS 108 9.886 -7.444 2.223 825 HD1 HIS 108 1HD HIS 108 12.263 -6.872 2.631 826 HD2 HIS 108 2HD HIS 108 9.991 -3.518 1.712 827 HE1 HIS 108 1HE HIS 108 13.812 -4.912 2.918 828 HE2 HIS 108 2HE HIS 108 12.393 -2.888 2.439 829 H TYR 109 H TYR 109 6.946 -7.324 1.190 830 HA TYR 109 HA TYR 109 7.028 -10.071 1.082 831 HB2 TYR 109 1HB TYR 109 5.179 -9.030 2.159 832 HB3 TYR 109 2HB TYR 109 4.719 -8.168 0.695 833 HD1 TYR 109 2HD TYR 109 5.006 -11.600 2.110 834 HD2 TYR 109 1HD TYR 109 3.110 -9.066 -0.734 835 HE1 TYR 109 2HE TYR 109 3.453 -13.418 1.536 836 HE2 TYR 109 1HE TYR 109 1.550 -10.877 -1.315 837 HH TYR 109 HH TYR 109 0.703 -13.136 0.211 838 H PHE 110 H PHE 110 5.185 -8.216 -1.331 839 HA PHE 110 HA PHE 110 4.904 -10.164 -3.224 840 HB2 PHE 110 1HB PHE 110 5.027 -7.193 -3.342 841 HB3 PHE 110 2HB PHE 110 5.117 -8.067 -4.867 842 HD1 PHE 110 2HD PHE 110 3.280 -9.890 -5.225 843 HD2 PHE 110 1HD PHE 110 2.967 -6.661 -2.470 844 HE1 PHE 110 2HE PHE 110 0.832 -10.124 -5.236 845 HE2 PHE 110 1HE PHE 110 0.517 -6.891 -2.475 846 HZ PHE 110 HZ PHE 110 -0.555 -8.623 -3.860 847 H SER 111 H SER 111 7.672 -8.018 -2.768 848 HA SER 111 HA SER 111 9.120 -8.666 -5.057 849 HB2 SER 111 1HB SER 111 9.868 -6.831 -3.734 850 HB3 SER 111 2HB SER 111 10.023 -7.841 -2.296 851 HG SER 111 HG SER 111 11.985 -8.219 -2.904 852 H LYS 112 H LYS 112 9.194 -10.186 -1.847 853 HA LYS 112 HA LYS 112 11.169 -12.011 -2.060 854 HB2 LYS 112 1HB LYS 112 8.390 -12.463 -0.965 855 HB3 LYS 112 2HB LYS 112 9.734 -13.569 -0.710 856 HG2 LYS 112 1HG LYS 112 10.919 -11.399 0.186 857 HG3 LYS 112 2HG LYS 112 9.254 -10.866 0.430 858 HD2 LYS 112 1HD LYS 112 8.830 -12.476 2.016 859 HD3 LYS 112 2HD LYS 112 10.048 -13.581 1.374 860 HE2 LYS 112 1HE LYS 112 11.774 -12.528 2.471 861 HE3 LYS 112 2HE LYS 112 10.927 -10.983 2.543 862 HZ1 LYS 112 1HZ LYS 112 11.149 -12.808 4.567 863 HZ2 LYS 112 2HZ LYS 112 9.566 -13.017 4.011 864 HZ3 LYS 112 3HZ LYS 112 10.087 -11.491 4.521 865 H MET 113 H MET 113 7.915 -12.388 -3.434 866 HA MET 113 HA MET 113 8.119 -14.937 -4.460 867 HB2 MET 113 1HB MET 113 6.725 -12.526 -5.631 868 HB3 MET 113 2HB MET 113 6.494 -14.170 -6.208 869 HG2 MET 113 1HG MET 113 6.075 -13.595 -3.322 870 HG3 MET 113 2HG MET 113 4.850 -13.087 -4.482 871 HE1 MET 113 1HE MET 113 4.190 -15.344 -2.085 872 HE2 MET 113 2HE MET 113 4.885 -16.923 -2.452 873 HE3 MET 113 3HE MET 113 5.942 -15.543 -2.146 874 H LYS 114 H LYS 114 8.040 -15.245 -7.026 875 HA LYS 114 HA LYS 114 10.654 -15.134 -7.937 876 HB2 LYS 114 1HB LYS 114 8.011 -15.553 -9.263 877 HB3 LYS 114 2HB LYS 114 9.432 -15.329 -10.274 878 HG2 LYS 114 1HG LYS 114 9.465 -17.588 -10.091 879 HG3 LYS 114 2HG LYS 114 10.421 -17.181 -8.664 880 HD2 LYS 114 1HD LYS 114 8.929 -18.639 -7.728 881 HD3 LYS 114 2HD LYS 114 8.036 -17.130 -7.522 882 HE2 LYS 114 1HE LYS 114 6.446 -18.575 -8.410 883 HE3 LYS 114 2HE LYS 114 7.010 -17.679 -9.820 884 HZ1 LYS 114 1HZ LYS 114 7.832 -20.415 -9.013 885 HZ2 LYS 114 2HZ LYS 114 8.526 -19.550 -10.290 886 HZ3 LYS 114 3HZ LYS 114 6.895 -19.993 -10.357 887 H ALA 115 H ALA 115 11.710 -13.220 -7.947 888 HA ALA 115 HA ALA 115 11.185 -11.389 -10.065 889 HB1 ALA 115 1HB ALA 115 9.978 -9.812 -9.076 890 HB2 ALA 115 2HB ALA 115 9.818 -10.862 -7.668 891 HB3 ALA 115 3HB ALA 115 11.140 -9.698 -7.754 892 H LEU 116 H LEU 116 12.785 -9.624 -10.134 893 HA LEU 116 HA LEU 116 15.370 -10.452 -9.867 894 HB2 LEU 116 1HB LEU 116 16.053 -8.231 -10.234 895 HB3 LEU 116 2HB LEU 116 14.511 -8.413 -11.067 896 HG LEU 116 HG LEU 116 14.534 -7.269 -8.312 897 HD11 LEU 116 1HD1 LEU 116 15.473 -5.891 -10.806 898 HD12 LEU 116 2HD1 LEU 116 16.221 -5.923 -9.209 899 HD13 LEU 116 3HD1 LEU 116 14.741 -5.001 -9.470 900 HD21 LEU 116 1HD2 LEU 116 12.882 -5.955 -10.241 901 HD22 LEU 116 2HD2 LEU 116 12.409 -6.872 -8.810 902 HD23 LEU 116 3HD2 LEU 116 12.641 -7.699 -10.351 903 H ALA 117 H ALA 117 16.953 -10.412 -8.335 904 HA ALA 117 HA ALA 117 16.728 -8.990 -5.875 905 HB1 ALA 117 1HB ALA 117 16.814 -11.274 -4.561 906 HB2 ALA 117 2HB ALA 117 15.278 -10.518 -4.990 907 HB3 ALA 117 3HB ALA 117 15.908 -11.848 -5.962 908 H VAL 118 H VAL 118 18.642 -9.001 -4.697 909 HA VAL 118 HA VAL 118 20.815 -10.726 -5.633 910 HB VAL 118 HB VAL 118 21.005 -7.714 -5.483 911 HG11 VAL 118 1HG1 VAL 118 23.326 -8.818 -6.618 912 HG12 VAL 118 2HG1 VAL 118 23.172 -7.977 -5.075 913 HG13 VAL 118 3HG1 VAL 118 23.010 -9.731 -5.143 914 HG21 VAL 118 1HG2 VAL 118 21.681 -9.322 -7.897 915 HG22 VAL 118 2HG2 VAL 118 19.984 -9.010 -7.531 916 HG23 VAL 118 3HG2 VAL 118 21.096 -7.663 -7.774 917 H GLU 119 H GLU 119 21.637 -11.685 -3.903 918 HA GLU 119 HA GLU 119 22.315 -12.107 -1.773 919 HB2 GLU 119 1HB GLU 119 22.992 -9.243 -2.198 920 HB3 GLU 119 2HB GLU 119 23.076 -9.857 -0.553 921 HG2 GLU 119 1HG GLU 119 24.491 -11.755 -1.593 922 HG3 GLU 119 2HG GLU 119 24.685 -10.638 -2.944 923 H GLY 120 H GLY 120 19.633 -12.090 -1.961 924 HA2 GLY 120 1HA GLY 120 18.664 -10.457 0.290 925 HA3 GLY 120 2HA GLY 120 17.648 -11.193 -0.941 926 H LYS 121 H LYS 121 16.316 -12.302 0.446 927 HA LYS 121 HA LYS 121 17.518 -14.166 2.346 928 HB2 LYS 121 1HB LYS 121 14.635 -13.388 1.877 929 HB3 LYS 121 2HB LYS 121 15.181 -14.509 3.116 930 HG2 LYS 121 1HG LYS 121 16.095 -11.649 2.947 931 HG3 LYS 121 2HG LYS 121 14.715 -12.185 3.909 932 HD2 LYS 121 1HD LYS 121 17.443 -13.407 4.221 933 HD3 LYS 121 2HD LYS 121 16.964 -11.954 5.101 934 HE2 LYS 121 1HE LYS 121 15.176 -13.117 6.181 935 HE3 LYS 121 2HE LYS 121 15.410 -14.536 5.159 936 HZ1 LYS 121 1HZ LYS 121 17.482 -13.523 7.023 937 HZ2 LYS 121 2HZ LYS 121 17.458 -15.007 6.213 938 HZ3 LYS 121 3HZ LYS 121 16.348 -14.704 7.454 939 H SER 122 H SER 122 16.892 -16.395 2.405 940 HA SER 122 HA SER 122 16.611 -17.511 -0.263 941 HB2 SER 122 1HB SER 122 17.140 -19.661 0.821 942 HB3 SER 122 2HB SER 122 18.331 -18.426 1.231 943 HG SER 122 HG SER 122 16.124 -19.182 2.852 944 H GLY 123 H GLY 123 14.405 -16.292 1.603 945 HA2 GLY 123 1HA GLY 123 12.198 -16.716 2.109 946 HA3 GLY 123 2HA GLY 123 12.204 -17.529 0.551 947 HA PRO 124 HA PRO 124 12.874 -20.766 4.136 948 HB2 PRO 124 1HB PRO 124 11.681 -20.034 6.462 949 HB3 PRO 124 2HB PRO 124 13.375 -19.681 6.098 950 HG2 PRO 124 1HG PRO 124 10.979 -17.901 5.879 951 HG3 PRO 124 2HG PRO 124 12.593 -17.531 6.514 952 HD2 PRO 124 1HD PRO 124 11.808 -16.810 4.025 953 HD3 PRO 124 2HD PRO 124 13.489 -17.228 4.412 954 H SER 125 H SER 125 11.283 -22.260 5.116 955 HA SER 125 HA SER 125 8.489 -21.685 4.485 956 HB2 SER 125 1HB SER 125 9.994 -24.078 3.400 957 HB3 SER 125 2HB SER 125 8.247 -23.857 3.302 958 HG SER 125 HG SER 125 9.218 -23.154 1.391 959 H SER 126 H SER 126 7.020 -23.395 5.337 960 HA SER 126 HA SER 126 7.904 -25.326 7.194 961 HB2 SER 126 1HB SER 126 7.365 -24.296 9.296 962 HB3 SER 126 2HB SER 126 8.473 -23.216 8.452 963 HG SER 126 HG SER 126 6.051 -22.673 9.371 964 H GLY 127 H GLY 127 6.335 -26.793 7.281 965 HA2 GLY 127 1HA GLY 127 3.786 -26.701 8.012 966 HA3 GLY 127 2HA GLY 127 3.661 -26.046 6.386 Start of MODEL 2 1 H1 GLY 1 H GLY 1 13.713 -6.106 9.482 2 HA2 GLY 1 1HA GLY 1 12.354 -4.906 7.318 3 HA3 GLY 1 2HA GLY 1 13.561 -4.125 8.331 4 H SER 2 H SER 2 15.176 -3.315 7.192 5 HA SER 2 HA SER 2 15.758 -4.307 4.540 6 HB2 SER 2 1HB SER 2 17.278 -2.413 4.374 7 HB3 SER 2 2HB SER 2 15.740 -1.872 5.047 8 HG SER 2 HG SER 2 16.665 -1.550 6.955 9 H SER 3 H SER 3 17.529 -5.427 3.895 10 HA SER 3 HA SER 3 19.230 -6.507 6.026 11 HB2 SER 3 1HB SER 3 18.563 -7.495 3.253 12 HB3 SER 3 2HB SER 3 19.855 -8.201 4.223 13 HG SER 3 HG SER 3 18.403 -9.234 5.325 14 H GLY 4 H GLY 4 19.430 -5.138 2.752 15 HA2 GLY 4 1HA GLY 4 22.249 -5.101 2.604 16 HA3 GLY 4 2HA GLY 4 21.159 -4.120 1.637 17 H SER 5 H SER 5 20.274 -2.158 2.702 18 HA SER 5 HA SER 5 21.822 -1.107 4.921 19 HB2 SER 5 1HB SER 5 21.891 0.189 2.185 20 HB3 SER 5 2HB SER 5 22.512 0.920 3.665 21 HG SER 5 HG SER 5 23.448 -1.394 2.330 22 H SER 6 H SER 6 21.062 1.146 5.493 23 HA SER 6 HA SER 6 18.369 1.182 6.037 24 HB2 SER 6 1HB SER 6 20.067 2.652 7.111 25 HB3 SER 6 2HB SER 6 20.108 3.630 5.644 26 HG SER 6 HG SER 6 17.698 3.131 7.033 27 H GLY 7 H GLY 7 16.898 0.850 4.457 28 HA2 GLY 7 1HA GLY 7 17.083 2.037 1.864 29 HA3 GLY 7 2HA GLY 7 15.704 1.161 2.510 30 H ALA 8 H ALA 8 16.506 3.999 1.234 31 HA ALA 8 HA ALA 8 15.310 5.855 3.043 32 HB1 ALA 8 1HB ALA 8 16.336 7.285 1.696 33 HB2 ALA 8 2HB ALA 8 16.721 5.975 0.579 34 HB3 ALA 8 3HB ALA 8 15.213 6.872 0.400 35 H LYS 9 H LYS 9 13.435 7.264 2.219 36 HA LYS 9 HA LYS 9 11.193 5.489 1.732 37 HB2 LYS 9 1HB LYS 9 9.800 7.291 2.396 38 HB3 LYS 9 2HB LYS 9 11.190 7.325 3.472 39 HG2 LYS 9 1HG LYS 9 12.145 9.170 2.294 40 HG3 LYS 9 2HG LYS 9 10.922 9.057 1.027 41 HD2 LYS 9 1HD LYS 9 10.145 10.808 2.341 42 HD3 LYS 9 2HD LYS 9 9.235 9.426 2.954 43 HE2 LYS 9 1HE LYS 9 9.981 10.547 4.872 44 HE3 LYS 9 2HE LYS 9 11.092 9.191 4.687 45 HZ1 LYS 9 1HZ LYS 9 11.587 12.032 3.997 46 HZ2 LYS 9 2HZ LYS 9 12.612 10.772 3.526 47 HZ3 LYS 9 3HZ LYS 9 12.378 11.101 5.169 48 H ASP 10 H ASP 10 13.058 7.880 0.039 49 HA ASP 10 HA ASP 10 11.322 8.654 -1.974 50 HB2 ASP 10 1HB ASP 10 14.300 8.150 -2.153 51 HB3 ASP 10 2HB ASP 10 13.355 9.030 -3.351 52 H ALA 11 H ALA 11 13.738 6.037 -2.219 53 HA ALA 11 HA ALA 11 13.110 4.976 -4.634 54 HB1 ALA 11 1HB ALA 11 13.492 2.695 -3.149 55 HB2 ALA 11 2HB ALA 11 14.765 3.697 -3.850 56 HB3 ALA 11 3HB ALA 11 14.274 3.939 -2.172 57 H LEU 12 H LEU 12 11.482 4.173 -1.571 58 HA LEU 12 HA LEU 12 9.640 2.348 -2.649 59 HB2 LEU 12 1HB LEU 12 10.143 2.586 -0.249 60 HB3 LEU 12 2HB LEU 12 9.308 4.138 -0.246 61 HG LEU 12 HG LEU 12 7.217 2.921 -0.887 62 HD11 LEU 12 1HD1 LEU 12 8.713 0.436 -0.098 63 HD12 LEU 12 2HD1 LEU 12 8.478 0.919 -1.777 64 HD13 LEU 12 3HD1 LEU 12 7.082 0.570 -0.757 65 HD21 LEU 12 1HD2 LEU 12 7.451 1.587 1.525 66 HD22 LEU 12 2HD2 LEU 12 6.919 3.253 1.296 67 HD23 LEU 12 3HD2 LEU 12 8.612 2.909 1.656 68 H LEU 13 H LEU 13 9.434 5.845 -2.123 69 HA LEU 13 HA LEU 13 6.778 6.274 -2.751 70 HB2 LEU 13 1HB LEU 13 8.390 7.973 -1.919 71 HB3 LEU 13 2HB LEU 13 9.089 8.044 -3.535 72 HG LEU 13 HG LEU 13 6.708 8.704 -4.290 73 HD11 LEU 13 1HD1 LEU 13 5.304 8.397 -2.510 74 HD12 LEU 13 2HD1 LEU 13 5.704 10.101 -2.302 75 HD13 LEU 13 3HD1 LEU 13 6.517 8.879 -1.325 76 HD21 LEU 13 1HD2 LEU 13 7.223 11.004 -4.014 77 HD22 LEU 13 2HD2 LEU 13 8.760 10.154 -4.185 78 HD23 LEU 13 3HD2 LEU 13 8.215 10.681 -2.592 79 H LEU 14 H LEU 14 9.554 6.026 -4.942 80 HA LEU 14 HA LEU 14 8.212 6.621 -7.325 81 HB2 LEU 14 1HB LEU 14 10.534 6.629 -7.449 82 HB3 LEU 14 2HB LEU 14 10.676 5.057 -6.665 83 HG LEU 14 HG LEU 14 9.761 4.014 -8.734 84 HD11 LEU 14 1HD1 LEU 14 10.060 6.806 -9.829 85 HD12 LEU 14 2HD1 LEU 14 8.557 5.904 -9.640 86 HD13 LEU 14 3HD1 LEU 14 9.773 5.359 -10.795 87 HD21 LEU 14 1HD2 LEU 14 12.312 5.585 -8.757 88 HD22 LEU 14 2HD2 LEU 14 11.852 4.578 -10.129 89 HD23 LEU 14 3HD2 LEU 14 12.074 3.852 -8.536 90 H TRP 15 H TRP 15 8.882 3.474 -5.808 91 HA TRP 15 HA TRP 15 7.744 1.818 -7.707 92 HB2 TRP 15 1HB TRP 15 9.024 1.104 -5.663 93 HB3 TRP 15 2HB TRP 15 7.565 1.392 -4.720 94 HD1 TRP 15 HD TRP 15 8.620 -0.769 -7.774 95 HE1 TRP 15 1HE TRP 15 7.342 -2.999 -7.637 96 HE3 TRP 15 3HE TRP 15 5.787 0.170 -3.624 97 HZ2 TRP 15 2HZ TRP 15 5.389 -4.201 -5.990 98 HZ3 TRP 15 3HZ TRP 15 4.238 -1.571 -2.833 99 HH2 TRP 15 HH TRP 15 4.045 -3.710 -3.994 100 H CYS 16 H CYS 16 6.114 2.848 -4.701 101 HA CYS 16 HA CYS 16 3.588 1.956 -5.236 102 HB2 CYS 16 1HB CYS 16 4.276 4.584 -3.902 103 HB3 CYS 16 2HB CYS 16 2.762 3.704 -3.733 104 HG CYS 16 HG CYS 16 5.780 2.439 -2.738 105 H GLN 17 H GLN 17 5.131 4.872 -6.458 106 HA GLN 17 HA GLN 17 2.804 5.989 -7.638 107 HB2 GLN 17 1HB GLN 17 5.752 6.439 -8.044 108 HB3 GLN 17 2HB GLN 17 4.550 7.276 -9.018 109 HG2 GLN 17 1HG GLN 17 3.668 8.400 -7.144 110 HG3 GLN 17 2HG GLN 17 4.536 7.358 -6.018 111 HE21 GLN 17 1HE2 GLN 17 4.579 10.210 -6.092 112 HE22 GLN 17 2HE2 GLN 17 6.209 10.692 -6.402 113 H MET 18 H MET 18 5.343 3.839 -8.808 114 HA MET 18 HA MET 18 4.677 3.858 -11.528 115 HB2 MET 18 1HB MET 18 5.985 1.790 -9.773 116 HB3 MET 18 2HB MET 18 5.738 1.524 -11.494 117 HG2 MET 18 1HG MET 18 6.964 3.774 -11.785 118 HG3 MET 18 2HG MET 18 7.503 3.510 -10.128 119 HE1 MET 18 1HE MET 18 9.321 0.015 -10.521 120 HE2 MET 18 2HE MET 18 8.977 1.323 -9.390 121 HE3 MET 18 3HE MET 18 7.655 0.361 -10.054 122 H LYS 19 H LYS 19 3.574 1.733 -8.904 123 HA LYS 19 HA LYS 19 1.842 0.202 -10.577 124 HB2 LYS 19 1HB LYS 19 1.618 0.480 -7.583 125 HB3 LYS 19 2HB LYS 19 1.119 -0.877 -8.584 126 HG2 LYS 19 1HG LYS 19 3.941 -0.010 -7.993 127 HG3 LYS 19 2HG LYS 19 3.121 -1.454 -7.393 128 HD2 LYS 19 1HD LYS 19 2.811 -1.992 -9.926 129 HD3 LYS 19 2HD LYS 19 4.143 -0.853 -10.139 130 HE2 LYS 19 1HE LYS 19 5.455 -2.199 -8.497 131 HE3 LYS 19 2HE LYS 19 4.148 -3.381 -8.495 132 HZ1 LYS 19 1HZ LYS 19 5.918 -2.637 -10.749 133 HZ2 LYS 19 2HZ LYS 19 4.493 -3.519 -10.967 134 HZ3 LYS 19 3HZ LYS 19 5.742 -4.154 -10.021 135 H THR 20 H THR 20 1.212 2.660 -8.073 136 HA THR 20 HA THR 20 -1.547 2.823 -8.400 137 HB THR 20 HB THR 20 -1.384 5.089 -7.412 138 HG1 THR 20 1HG THR 20 1.290 4.731 -8.143 139 HG21 THR 20 1HG2 THR 20 0.134 2.797 -6.220 140 HG22 THR 20 2HG2 THR 20 -1.445 3.442 -5.773 141 HG23 THR 20 3HG2 THR 20 0.020 4.333 -5.363 142 H ALA 21 H ALA 21 1.010 4.050 -10.379 143 HA ALA 21 HA ALA 21 -0.057 6.191 -11.689 144 HB1 ALA 21 1HB ALA 21 1.561 3.910 -12.803 145 HB2 ALA 21 2HB ALA 21 1.189 5.375 -13.714 146 HB3 ALA 21 3HB ALA 21 2.140 5.475 -12.232 147 H GLY 22 H GLY 22 -0.617 2.769 -12.521 148 HA2 GLY 22 1HA GLY 22 -2.188 2.940 -14.719 149 HA3 GLY 22 2HA GLY 22 -2.500 1.782 -13.433 150 H TYR 23 H TYR 23 -3.170 3.755 -11.439 151 HA TYR 23 HA TYR 23 -5.871 4.375 -12.380 152 HB2 TYR 23 1HB TYR 23 -4.875 4.526 -9.537 153 HB3 TYR 23 2HB TYR 23 -6.540 4.419 -10.096 154 HD1 TYR 23 2HD TYR 23 -3.404 2.540 -9.630 155 HD2 TYR 23 1HD TYR 23 -7.533 2.309 -10.630 156 HE1 TYR 23 2HE TYR 23 -3.317 0.092 -9.403 157 HE2 TYR 23 1HE TYR 23 -7.458 -0.139 -10.405 158 HH TYR 23 HH TYR 23 -5.096 -1.933 -10.606 159 HA PRO 24 HA PRO 24 -4.669 8.647 -12.711 160 HB2 PRO 24 1HB PRO 24 -7.133 9.583 -13.361 161 HB3 PRO 24 2HB PRO 24 -6.090 8.741 -14.514 162 HG2 PRO 24 1HG PRO 24 -8.394 7.685 -12.920 163 HG3 PRO 24 2HG PRO 24 -7.984 7.395 -14.621 164 HD2 PRO 24 1HD PRO 24 -7.421 5.610 -12.664 165 HD3 PRO 24 2HD PRO 24 -6.396 5.808 -14.099 166 H ASN 25 H ASN 25 -7.317 7.435 -10.745 167 HA ASN 25 HA ASN 25 -7.513 9.904 -9.233 168 HB2 ASN 25 1HB ASN 25 -8.890 7.243 -8.807 169 HB3 ASN 25 2HB ASN 25 -9.278 8.747 -7.978 170 HD21 ASN 25 1HD2 ASN 25 -11.389 7.894 -9.002 171 HD22 ASN 25 2HD2 ASN 25 -11.785 8.575 -10.540 172 H VAL 26 H VAL 26 -5.162 7.843 -9.288 173 HA VAL 26 HA VAL 26 -4.725 7.942 -6.385 174 HB VAL 26 HB VAL 26 -3.880 5.571 -8.041 175 HG11 VAL 26 1HG1 VAL 26 -3.194 4.602 -6.073 176 HG12 VAL 26 2HG1 VAL 26 -2.834 6.300 -5.751 177 HG13 VAL 26 3HG1 VAL 26 -4.294 5.566 -5.088 178 HG21 VAL 26 1HG2 VAL 26 -6.199 5.387 -8.158 179 HG22 VAL 26 2HG2 VAL 26 -5.786 4.422 -6.740 180 HG23 VAL 26 3HG2 VAL 26 -6.431 6.053 -6.541 181 H ASN 27 H ASN 27 -2.945 9.056 -5.970 182 HA ASN 27 HA ASN 27 -0.586 8.694 -7.651 183 HB2 ASN 27 1HB ASN 27 -2.040 11.285 -7.236 184 HB3 ASN 27 2HB ASN 27 -0.293 11.287 -7.458 185 HD21 ASN 27 1HD2 ASN 27 -2.343 12.402 -9.164 186 HD22 ASN 27 2HD2 ASN 27 -2.173 11.633 -10.702 187 H VAL 28 H VAL 28 0.879 8.003 -6.238 188 HA VAL 28 HA VAL 28 0.809 8.793 -3.464 189 HB VAL 28 HB VAL 28 2.888 7.145 -4.909 190 HG11 VAL 28 1HG1 VAL 28 2.399 6.677 -2.065 191 HG12 VAL 28 2HG1 VAL 28 3.920 6.831 -2.946 192 HG13 VAL 28 3HG1 VAL 28 3.050 8.275 -2.426 193 HG21 VAL 28 1HG2 VAL 28 0.408 6.366 -4.885 194 HG22 VAL 28 2HG2 VAL 28 1.680 5.226 -4.448 195 HG23 VAL 28 3HG2 VAL 28 0.725 6.006 -3.187 196 H HIS 29 H HIS 29 1.079 11.126 -4.464 197 HA HIS 29 HA HIS 29 3.711 11.931 -5.190 198 HB2 HIS 29 1HB HIS 29 2.865 14.213 -4.966 199 HB3 HIS 29 2HB HIS 29 1.714 13.212 -5.846 200 HD1 HIS 29 1HD HIS 29 0.976 15.854 -4.290 201 HD2 HIS 29 2HD HIS 29 0.463 11.979 -2.882 202 HE1 HIS 29 1HE HIS 29 -0.835 16.005 -2.553 203 HE2 HIS 29 2HE HIS 29 -1.069 13.663 -1.654 204 H ASN 30 H ASN 30 2.452 10.937 -2.282 205 HA ASN 30 HA ASN 30 4.773 11.801 -0.839 206 HB2 ASN 30 1HB ASN 30 3.233 12.842 1.001 207 HB3 ASN 30 2HB ASN 30 3.722 13.820 -0.380 208 HD21 ASN 30 1HD2 ASN 30 1.386 11.258 -0.647 209 HD22 ASN 30 2HD2 ASN 30 0.009 12.271 -0.901 210 H PHE 31 H PHE 31 4.267 11.269 1.670 211 HA PHE 31 HA PHE 31 3.040 8.590 1.663 212 HB2 PHE 31 1HB PHE 31 5.486 9.644 3.060 213 HB3 PHE 31 2HB PHE 31 4.647 8.214 3.651 214 HD1 PHE 31 2HD PHE 31 3.955 6.681 1.386 215 HD2 PHE 31 1HD PHE 31 7.422 9.075 1.985 216 HE1 PHE 31 2HE PHE 31 5.188 5.292 -0.228 217 HE2 PHE 31 1HE PHE 31 8.661 7.691 0.371 218 HZ PHE 31 HZ PHE 31 7.545 5.795 -0.736 219 H THR 32 H THR 32 1.793 11.204 2.250 220 HA THR 32 HA THR 32 0.845 10.567 4.960 221 HB THR 32 HB THR 32 0.468 13.206 5.018 222 HG1 THR 32 1HG THR 32 1.536 14.127 3.445 223 HG21 THR 32 1HG2 THR 32 2.568 11.409 5.968 224 HG22 THR 32 2HG2 THR 32 1.662 12.650 6.836 225 HG23 THR 32 3HG2 THR 32 3.075 13.094 5.880 226 H THR 33 H THR 33 0.065 12.951 2.424 227 HA THR 33 HA THR 33 -2.766 12.423 2.794 228 HB THR 33 HB THR 33 -3.129 14.278 1.230 229 HG1 THR 33 1HG THR 33 -0.384 13.922 0.819 230 HG21 THR 33 1HG2 THR 33 -1.017 15.001 3.263 231 HG22 THR 33 2HG2 THR 33 -2.714 14.712 3.650 232 HG23 THR 33 3HG2 THR 33 -2.265 16.057 2.602 233 H SER 34 H SER 34 -0.885 10.451 1.523 234 HA SER 34 HA SER 34 -2.188 10.222 -1.108 235 HB2 SER 34 1HB SER 34 0.047 10.176 -1.651 236 HB3 SER 34 2HB SER 34 0.518 9.470 -0.105 237 HG SER 34 HG SER 34 0.672 7.734 -1.310 238 H TRP 35 H TRP 35 -1.765 8.752 1.981 239 HA TRP 35 HA TRP 35 -3.354 6.438 1.079 240 HB2 TRP 35 1HB TRP 35 -1.548 6.301 3.473 241 HB3 TRP 35 2HB TRP 35 -2.168 4.989 2.474 242 HD1 TRP 35 HD TRP 35 0.351 7.925 2.170 243 HE1 TRP 35 1HE TRP 35 2.245 7.181 0.593 244 HE3 TRP 35 3HE TRP 35 -1.461 3.335 0.836 245 HZ2 TRP 35 2HZ TRP 35 2.885 4.944 -1.004 246 HZ3 TRP 35 3HZ TRP 35 -0.147 1.956 -0.722 247 HH2 TRP 35 HH TRP 35 1.981 2.746 -1.623 248 H ARG 36 H ARG 36 -3.750 9.218 2.526 249 HA ARG 36 HA ARG 36 -4.769 8.743 5.079 250 HB2 ARG 36 1HB ARG 36 -4.359 10.994 4.272 251 HB3 ARG 36 2HB ARG 36 -5.589 10.807 3.029 252 HG2 ARG 36 1HG ARG 36 -7.132 10.340 5.118 253 HG3 ARG 36 2HG ARG 36 -5.888 11.282 5.942 254 HD2 ARG 36 1HD ARG 36 -7.298 12.962 5.296 255 HD3 ARG 36 2HD ARG 36 -6.232 12.899 3.893 256 HE ARG 36 HE ARG 36 -8.498 11.188 3.605 257 HH11 ARG 36 1HH1 ARG 36 -7.420 14.489 3.355 258 HH12 ARG 36 2HH1 ARG 36 -8.630 14.933 2.198 259 HH21 ARG 36 1HH2 ARG 36 -10.097 11.762 2.081 260 HH22 ARG 36 2HH2 ARG 36 -10.153 13.383 1.475 261 H ASP 37 H ASP 37 -6.628 9.096 2.052 262 HA ASP 37 HA ASP 37 -9.088 8.292 3.129 263 HB2 ASP 37 1HB ASP 37 -8.063 8.168 0.288 264 HB3 ASP 37 2HB ASP 37 -9.738 7.878 0.746 265 H GLY 38 H GLY 38 -6.686 6.423 1.274 266 HA2 GLY 38 1HA GLY 38 -6.269 4.154 2.302 267 HA3 GLY 38 2HA GLY 38 -8.015 3.967 2.237 268 H LEU 39 H LEU 39 -8.213 5.324 -0.362 269 HA LEU 39 HA LEU 39 -8.386 3.284 -2.105 270 HB2 LEU 39 1HB LEU 39 -7.538 6.121 -2.607 271 HB3 LEU 39 2HB LEU 39 -7.791 4.978 -3.924 272 HG LEU 39 HG LEU 39 -9.886 5.845 -1.931 273 HD11 LEU 39 1HD1 LEU 39 -10.862 7.084 -3.759 274 HD12 LEU 39 2HD1 LEU 39 -9.577 6.557 -4.844 275 HD13 LEU 39 3HD1 LEU 39 -9.205 7.626 -3.492 276 HD21 LEU 39 1HD2 LEU 39 -10.274 3.586 -2.709 277 HD22 LEU 39 2HD2 LEU 39 -10.055 4.096 -4.383 278 HD23 LEU 39 3HD2 LEU 39 -11.435 4.685 -3.455 279 H ALA 40 H ALA 40 -5.481 5.352 -1.932 280 HA ALA 40 HA ALA 40 -3.782 4.228 -3.650 281 HB1 ALA 40 1HB ALA 40 -2.132 4.402 -1.455 282 HB2 ALA 40 2HB ALA 40 -2.544 5.723 -2.550 283 HB3 ALA 40 3HB ALA 40 -3.453 5.501 -1.054 284 H PHE 41 H PHE 41 -4.177 2.934 -0.345 285 HA PHE 41 HA PHE 41 -2.579 0.676 -0.668 286 HB2 PHE 41 1HB PHE 41 -4.924 1.246 1.138 287 HB3 PHE 41 2HB PHE 41 -4.047 -0.279 1.207 288 HD1 PHE 41 1HD PHE 41 -1.308 0.318 1.040 289 HD2 PHE 41 2HD PHE 41 -4.382 2.608 2.891 290 HE1 PHE 41 1HE PHE 41 0.359 1.343 2.530 291 HE2 PHE 41 2HE PHE 41 -2.719 3.638 4.384 292 HZ PHE 41 HZ PHE 41 -0.345 3.007 4.205 293 H ASN 42 H ASN 42 -6.055 1.094 -1.221 294 HA ASN 42 HA ASN 42 -6.505 -1.620 -1.965 295 HB2 ASN 42 1HB ASN 42 -8.177 0.831 -2.564 296 HB3 ASN 42 2HB ASN 42 -8.712 -0.842 -2.693 297 HD21 ASN 42 1HD2 ASN 42 -8.376 1.845 -0.679 298 HD22 ASN 42 2HD2 ASN 42 -8.847 1.101 0.806 299 H ALA 43 H ALA 43 -4.726 0.652 -3.465 300 HA ALA 43 HA ALA 43 -5.568 -0.033 -6.185 301 HB1 ALA 43 1HB ALA 43 -4.527 2.308 -5.005 302 HB2 ALA 43 2HB ALA 43 -3.319 1.723 -6.150 303 HB3 ALA 43 3HB ALA 43 -4.968 2.040 -6.692 304 H ILE 44 H ILE 44 -2.908 -0.420 -3.935 305 HA ILE 44 HA ILE 44 -1.031 -1.461 -5.789 306 HB ILE 44 HB ILE 44 -1.197 -1.855 -2.800 307 HG12 ILE 44 1HG1 ILE 44 0.608 0.008 -4.341 308 HG13 ILE 44 2HG1 ILE 44 -0.961 0.510 -3.720 309 HG21 ILE 44 1HG2 ILE 44 0.905 -2.568 -4.816 310 HG22 ILE 44 2HG2 ILE 44 1.311 -2.279 -3.125 311 HG23 ILE 44 3HG2 ILE 44 0.193 -3.573 -3.552 312 HD11 ILE 44 1HD1 ILE 44 0.928 1.138 -2.266 313 HD12 ILE 44 2HD1 ILE 44 -0.252 0.099 -1.465 314 HD13 ILE 44 3HD1 ILE 44 1.277 -0.574 -2.029 315 H VAL 45 H VAL 45 -3.227 -3.030 -3.469 316 HA VAL 45 HA VAL 45 -2.519 -5.678 -4.149 317 HB VAL 45 HB VAL 45 -5.097 -4.652 -2.955 318 HG11 VAL 45 1HG1 VAL 45 -4.267 -7.351 -2.260 319 HG12 VAL 45 2HG1 VAL 45 -5.837 -6.752 -2.796 320 HG13 VAL 45 3HG1 VAL 45 -4.597 -7.161 -3.982 321 HG21 VAL 45 1HG2 VAL 45 -2.574 -5.688 -1.667 322 HG22 VAL 45 2HG2 VAL 45 -3.201 -4.041 -1.590 323 HG23 VAL 45 3HG2 VAL 45 -4.079 -5.356 -0.811 324 H HIS 46 H HIS 46 -5.559 -3.959 -4.892 325 HA HIS 46 HA HIS 46 -6.796 -5.630 -6.570 326 HB2 HIS 46 1HB HIS 46 -7.362 -3.176 -5.987 327 HB3 HIS 46 2HB HIS 46 -6.457 -2.771 -7.443 328 HD1 HIS 46 1HD HIS 46 -8.029 -2.343 -9.288 329 HD2 HIS 46 2HD HIS 46 -9.339 -5.439 -6.846 330 HE1 HIS 46 1HE HIS 46 -10.173 -3.155 -10.323 331 HE2 HIS 46 2HE HIS 46 -10.991 -4.971 -8.781 332 H LYS 47 H LYS 47 -3.869 -3.858 -7.314 333 HA LYS 47 HA LYS 47 -3.820 -4.366 -10.096 334 HB2 LYS 47 1HB LYS 47 -2.449 -2.647 -8.849 335 HB3 LYS 47 2HB LYS 47 -1.422 -3.968 -8.305 336 HG2 LYS 47 1HG LYS 47 -0.239 -3.281 -10.120 337 HG3 LYS 47 2HG LYS 47 -1.290 -4.474 -10.888 338 HD2 LYS 47 1HD LYS 47 -2.604 -2.866 -11.893 339 HD3 LYS 47 2HD LYS 47 -2.193 -1.635 -10.696 340 HE2 LYS 47 1HE LYS 47 0.057 -1.473 -11.627 341 HE3 LYS 47 2HE LYS 47 -0.330 -2.727 -12.803 342 HZ1 LYS 47 1HZ LYS 47 -2.049 -1.265 -13.711 343 HZ2 LYS 47 2HZ LYS 47 -0.516 -0.555 -13.801 344 HZ3 LYS 47 3HZ LYS 47 -1.611 -0.054 -12.612 345 H HIS 48 H HIS 48 -2.329 -6.039 -7.340 346 HA HIS 48 HA HIS 48 -1.218 -8.104 -9.008 347 HB2 HIS 48 1HB HIS 48 -1.524 -8.288 -6.022 348 HB3 HIS 48 2HB HIS 48 -0.277 -8.994 -7.045 349 HD1 HIS 48 1HD HIS 48 1.087 -6.857 -8.406 350 HD2 HIS 48 2HD HIS 48 -0.501 -6.236 -4.617 351 HE1 HIS 48 1HE HIS 48 2.327 -4.878 -7.473 352 HE2 HIS 48 2HE HIS 48 1.409 -4.574 -5.147 353 H ARG 49 H ARG 49 -3.881 -7.881 -6.669 354 HA ARG 49 HA ARG 49 -5.045 -10.285 -7.904 355 HB2 ARG 49 1HB ARG 49 -5.150 -9.606 -4.960 356 HB3 ARG 49 2HB ARG 49 -5.847 -11.025 -5.731 357 HG2 ARG 49 1HG ARG 49 -2.908 -10.458 -5.862 358 HG3 ARG 49 2HG ARG 49 -3.631 -11.296 -4.489 359 HD2 ARG 49 1HD ARG 49 -4.066 -12.187 -7.327 360 HD3 ARG 49 2HD ARG 49 -2.688 -12.734 -6.371 361 HE ARG 49 HE ARG 49 -5.136 -13.130 -4.981 362 HH11 ARG 49 1HH1 ARG 49 -3.146 -14.424 -7.527 363 HH12 ARG 49 2HH1 ARG 49 -3.739 -16.042 -7.346 364 HH21 ARG 49 1HH2 ARG 49 -5.924 -15.256 -4.733 365 HH22 ARG 49 2HH2 ARG 49 -5.320 -16.514 -5.757 366 HA PRO 50 HA PRO 50 -8.072 -6.836 -8.201 367 HB2 PRO 50 1HB PRO 50 -9.039 -7.615 -10.616 368 HB3 PRO 50 2HB PRO 50 -7.596 -6.608 -10.437 369 HG2 PRO 50 1HG PRO 50 -7.801 -9.557 -10.915 370 HG3 PRO 50 2HG PRO 50 -6.709 -8.377 -11.660 371 HD2 PRO 50 1HD PRO 50 -5.931 -10.015 -9.651 372 HD3 PRO 50 2HD PRO 50 -5.272 -8.379 -9.859 373 H ASP 51 H ASP 51 -8.185 -10.079 -7.625 374 HA ASP 51 HA ASP 51 -11.066 -10.378 -7.942 375 HB2 ASP 51 1HB ASP 51 -9.073 -12.361 -6.829 376 HB3 ASP 51 2HB ASP 51 -10.728 -12.695 -7.331 377 H LEU 52 H LEU 52 -8.632 -10.193 -5.395 378 HA LEU 52 HA LEU 52 -10.114 -10.815 -3.168 379 HB2 LEU 52 1HB LEU 52 -8.044 -8.646 -3.472 380 HB3 LEU 52 2HB LEU 52 -8.637 -9.258 -1.929 381 HG LEU 52 HG LEU 52 -6.942 -10.684 -3.966 382 HD11 LEU 52 1HD1 LEU 52 -5.718 -11.055 -1.641 383 HD12 LEU 52 2HD1 LEU 52 -6.562 -9.558 -1.249 384 HD13 LEU 52 3HD1 LEU 52 -5.456 -9.613 -2.622 385 HD21 LEU 52 1HD2 LEU 52 -8.240 -12.467 -3.408 386 HD22 LEU 52 2HD2 LEU 52 -8.730 -11.772 -1.863 387 HD23 LEU 52 3HD2 LEU 52 -7.131 -12.500 -2.036 388 H LEU 53 H LEU 53 -9.608 -7.481 -4.343 389 HA LEU 53 HA LEU 53 -12.265 -6.809 -3.259 390 HB2 LEU 53 1HB LEU 53 -11.418 -4.552 -2.831 391 HB3 LEU 53 2HB LEU 53 -10.539 -5.781 -1.922 392 HG LEU 53 HG LEU 53 -9.463 -4.698 -4.504 393 HD11 LEU 53 1HD1 LEU 53 -9.281 -3.478 -1.764 394 HD12 LEU 53 2HD1 LEU 53 -9.788 -2.716 -3.272 395 HD13 LEU 53 3HD1 LEU 53 -8.098 -3.161 -3.033 396 HD21 LEU 53 1HD2 LEU 53 -7.481 -5.245 -2.584 397 HD22 LEU 53 2HD2 LEU 53 -7.848 -6.150 -4.053 398 HD23 LEU 53 3HD2 LEU 53 -8.621 -6.590 -2.530 399 H ASP 54 H ASP 54 -12.932 -4.541 -4.271 400 HA ASP 54 HA ASP 54 -12.393 -4.611 -7.160 401 HB2 ASP 54 1HB ASP 54 -15.039 -4.693 -5.756 402 HB3 ASP 54 2HB ASP 54 -14.915 -3.900 -7.322 403 H PHE 55 H PHE 55 -11.162 -2.793 -7.246 404 HA PHE 55 HA PHE 55 -11.361 -0.480 -5.790 405 HB2 PHE 55 1HB PHE 55 -9.685 -1.230 -7.679 406 HB3 PHE 55 2HB PHE 55 -10.737 -0.263 -8.708 407 HD1 PHE 55 1HD PHE 55 -8.729 -0.098 -5.588 408 HD2 PHE 55 2HD PHE 55 -10.447 2.033 -8.846 409 HE1 PHE 55 1HE PHE 55 -7.542 1.937 -4.877 410 HE2 PHE 55 2HE PHE 55 -9.263 4.072 -8.142 411 HZ PHE 55 HZ PHE 55 -7.808 4.025 -6.156 412 H GLU 56 H GLU 56 -12.942 -1.143 -8.912 413 HA GLU 56 HA GLU 56 -14.308 1.290 -9.127 414 HB2 GLU 56 1HB GLU 56 -15.133 -1.423 -10.176 415 HB3 GLU 56 2HB GLU 56 -15.776 0.122 -10.718 416 HG2 GLU 56 1HG GLU 56 -13.837 0.695 -11.826 417 HG3 GLU 56 2HG GLU 56 -12.842 -0.398 -10.865 418 H SER 57 H SER 57 -14.981 -1.562 -7.262 419 HA SER 57 HA SER 57 -17.730 -0.940 -6.744 420 HB2 SER 57 1HB SER 57 -16.802 -3.255 -6.639 421 HB3 SER 57 2HB SER 57 -15.894 -2.788 -5.202 422 HG SER 57 HG SER 57 -17.681 -2.799 -4.048 423 H LEU 58 H LEU 58 -14.688 -0.565 -4.967 424 HA LEU 58 HA LEU 58 -15.623 0.341 -2.541 425 HB2 LEU 58 1HB LEU 58 -13.218 1.402 -4.015 426 HB3 LEU 58 2HB LEU 58 -13.502 1.485 -2.277 427 HG LEU 58 HG LEU 58 -13.091 -1.061 -3.844 428 HD11 LEU 58 1HD1 LEU 58 -10.925 -1.079 -2.515 429 HD12 LEU 58 2HD1 LEU 58 -11.218 0.635 -2.220 430 HD13 LEU 58 3HD1 LEU 58 -11.020 0.046 -3.870 431 HD21 LEU 58 1HD2 LEU 58 -13.627 -0.441 -0.970 432 HD22 LEU 58 2HD2 LEU 58 -12.654 -1.848 -1.403 433 HD23 LEU 58 3HD2 LEU 58 -14.311 -1.705 -1.994 434 H LYS 59 H LYS 59 -15.926 2.437 -1.648 435 HA LYS 59 HA LYS 59 -16.940 4.377 -3.612 436 HB2 LYS 59 1HB LYS 59 -17.590 4.062 -0.675 437 HB3 LYS 59 2HB LYS 59 -18.265 5.295 -1.732 438 HG2 LYS 59 1HG LYS 59 -19.413 3.658 -3.032 439 HG3 LYS 59 2HG LYS 59 -18.590 2.341 -2.193 440 HD2 LYS 59 1HD LYS 59 -20.267 4.313 -0.682 441 HD3 LYS 59 2HD LYS 59 -21.010 2.941 -1.508 442 HE2 LYS 59 1HE LYS 59 -19.498 1.431 -0.250 443 HE3 LYS 59 2HE LYS 59 -18.887 2.829 0.632 444 HZ1 LYS 59 1HZ LYS 59 -21.544 1.570 0.772 445 HZ2 LYS 59 2HZ LYS 59 -21.364 3.201 1.184 446 HZ3 LYS 59 3HZ LYS 59 -20.505 2.014 2.031 447 H LYS 60 H LYS 60 -16.209 6.447 -3.655 448 HA LYS 60 HA LYS 60 -13.681 6.997 -2.456 449 HB2 LYS 60 1HB LYS 60 -14.189 7.892 -4.645 450 HB3 LYS 60 2HB LYS 60 -15.589 8.749 -4.013 451 HG2 LYS 60 1HG LYS 60 -14.093 10.458 -4.097 452 HG3 LYS 60 2HG LYS 60 -13.774 9.870 -2.464 453 HD2 LYS 60 1HD LYS 60 -11.770 8.903 -3.060 454 HD3 LYS 60 2HD LYS 60 -12.242 8.717 -4.751 455 HE2 LYS 60 1HE LYS 60 -10.587 10.427 -4.657 456 HE3 LYS 60 2HE LYS 60 -12.137 11.212 -4.959 457 HZ1 LYS 60 1HZ LYS 60 -10.342 11.547 -2.774 458 HZ2 LYS 60 2HZ LYS 60 -11.891 11.145 -2.228 459 HZ3 LYS 60 3HZ LYS 60 -11.669 12.494 -3.225 460 H CYS 61 H CYS 61 -16.945 8.342 -2.009 461 HA CYS 61 HA CYS 61 -16.455 10.269 -0.129 462 HB2 CYS 61 1HB CYS 61 -18.675 9.824 -1.094 463 HB3 CYS 61 2HB CYS 61 -18.789 8.345 -0.148 464 HG CYS 61 HG CYS 61 -18.333 10.180 2.238 465 H ASN 62 H ASN 62 -17.136 6.837 0.547 466 HA ASN 62 HA ASN 62 -16.438 7.179 3.335 467 HB2 ASN 62 1HB ASN 62 -18.234 5.580 2.250 468 HB3 ASN 62 2HB ASN 62 -16.859 4.492 2.089 469 HD21 ASN 62 1HD2 ASN 62 -15.470 5.156 4.403 470 HD22 ASN 62 2HD2 ASN 62 -16.390 4.634 5.769 471 H ALA 63 H ALA 63 -14.398 7.180 3.987 472 HA ALA 63 HA ALA 63 -12.383 5.759 2.398 473 HB1 ALA 63 1HB ALA 63 -10.982 7.429 2.857 474 HB2 ALA 63 2HB ALA 63 -12.382 8.298 3.489 475 HB3 ALA 63 3HB ALA 63 -11.354 7.371 4.580 476 H HIS 64 H HIS 64 -13.466 6.181 5.755 477 HA HIS 64 HA HIS 64 -11.743 4.555 7.106 478 HB2 HIS 64 1HB HIS 64 -13.896 5.866 7.878 479 HB3 HIS 64 2HB HIS 64 -14.661 4.288 7.711 480 HD1 HIS 64 1HD HIS 64 -12.533 2.458 8.866 481 HD2 HIS 64 2HD HIS 64 -13.561 6.112 10.555 482 HE1 HIS 64 1HE HIS 64 -11.851 2.299 11.281 483 HE2 HIS 64 2HE HIS 64 -12.560 4.489 12.302 484 H TYR 65 H TYR 65 -14.712 3.500 5.449 485 HA TYR 65 HA TYR 65 -14.414 0.759 6.001 486 HB2 TYR 65 1HB TYR 65 -16.546 1.633 5.276 487 HB3 TYR 65 2HB TYR 65 -15.855 2.172 3.749 488 HD1 TYR 65 2HD TYR 65 -15.192 0.499 2.037 489 HD2 TYR 65 1HD TYR 65 -17.246 -0.625 5.590 490 HE1 TYR 65 2HE TYR 65 -15.788 -1.652 1.005 491 HE2 TYR 65 1HE TYR 65 -17.846 -2.781 4.568 492 HH TYR 65 HH TYR 65 -18.137 -3.596 2.030 493 H ASN 66 H ASN 66 -13.184 2.790 3.412 494 HA ASN 66 HA ASN 66 -12.276 0.726 1.716 495 HB2 ASN 66 1HB ASN 66 -11.751 3.644 1.995 496 HB3 ASN 66 2HB ASN 66 -10.593 2.697 1.066 497 HD21 ASN 66 1HD2 ASN 66 -11.830 4.575 -0.286 498 HD22 ASN 66 2HD2 ASN 66 -13.055 3.930 -1.320 499 H LEU 67 H LEU 67 -10.797 2.412 4.432 500 HA LEU 67 HA LEU 67 -8.196 1.325 4.091 501 HB2 LEU 67 1HB LEU 67 -9.581 2.504 6.491 502 HB3 LEU 67 2HB LEU 67 -7.883 2.032 6.472 503 HG LEU 67 HG LEU 67 -8.972 4.048 4.532 504 HD11 LEU 67 1HD1 LEU 67 -7.587 5.366 6.598 505 HD12 LEU 67 2HD1 LEU 67 -8.799 4.343 7.368 506 HD13 LEU 67 3HD1 LEU 67 -9.286 5.524 6.153 507 HD21 LEU 67 1HD2 LEU 67 -6.222 3.522 5.657 508 HD22 LEU 67 2HD2 LEU 67 -6.637 4.785 4.497 509 HD23 LEU 67 3HD2 LEU 67 -6.788 3.087 4.044 510 H GLN 68 H GLN 68 -10.437 0.681 6.785 511 HA GLN 68 HA GLN 68 -9.343 -1.514 7.878 512 HB2 GLN 68 1HB GLN 68 -11.403 -2.027 8.808 513 HB3 GLN 68 2HB GLN 68 -11.613 -0.337 8.369 514 HG2 GLN 68 1HG GLN 68 -12.716 -1.079 6.272 515 HG3 GLN 68 2HG GLN 68 -12.619 -2.738 6.863 516 HE21 GLN 68 1HE2 GLN 68 -13.426 0.321 8.460 517 HE22 GLN 68 2HE2 GLN 68 -14.977 -0.185 9.028 518 H ASN 69 H ASN 69 -11.193 -1.459 4.877 519 HA ASN 69 HA ASN 69 -11.416 -4.213 4.460 520 HB2 ASN 69 1HB ASN 69 -12.583 -2.419 3.148 521 HB3 ASN 69 2HB ASN 69 -11.063 -2.113 2.314 522 HD21 ASN 69 1HD2 ASN 69 -10.447 -3.416 0.682 523 HD22 ASN 69 2HD2 ASN 69 -11.370 -4.761 0.110 524 H ALA 70 H ALA 70 -8.957 -1.962 3.196 525 HA ALA 70 HA ALA 70 -7.358 -3.954 1.997 526 HB1 ALA 70 1HB ALA 70 -5.859 -1.627 2.867 527 HB2 ALA 70 2HB ALA 70 -6.192 -2.214 1.237 528 HB3 ALA 70 3HB ALA 70 -7.367 -1.191 2.063 529 H PHE 71 H PHE 71 -7.097 -2.288 5.127 530 HA PHE 71 HA PHE 71 -4.740 -3.422 6.033 531 HB2 PHE 71 1HB PHE 71 -7.192 -2.419 7.446 532 HB3 PHE 71 2HB PHE 71 -5.872 -3.139 8.360 533 HD1 PHE 71 2HD PHE 71 -3.471 -2.180 7.620 534 HD2 PHE 71 1HD PHE 71 -7.189 -0.143 7.252 535 HE1 PHE 71 2HE PHE 71 -2.283 -0.025 7.603 536 HE2 PHE 71 1HE PHE 71 -6.008 2.016 7.233 537 HZ PHE 71 HZ PHE 71 -3.552 2.077 7.409 538 H ASN 72 H ASN 72 -8.035 -4.691 6.201 539 HA ASN 72 HA ASN 72 -7.290 -7.024 7.685 540 HB2 ASN 72 1HB ASN 72 -9.802 -6.436 6.102 541 HB3 ASN 72 2HB ASN 72 -9.593 -7.778 7.223 542 HD21 ASN 72 1HD2 ASN 72 -11.355 -5.313 7.118 543 HD22 ASN 72 2HD2 ASN 72 -11.190 -4.618 8.691 544 H LEU 73 H LEU 73 -8.235 -6.443 4.301 545 HA LEU 73 HA LEU 73 -8.039 -8.997 3.304 546 HB2 LEU 73 1HB LEU 73 -7.624 -6.290 2.162 547 HB3 LEU 73 2HB LEU 73 -7.089 -7.669 1.204 548 HG LEU 73 HG LEU 73 -9.901 -7.209 2.199 549 HD11 LEU 73 1HD1 LEU 73 -8.725 -6.949 -0.565 550 HD12 LEU 73 2HD1 LEU 73 -9.262 -5.621 0.463 551 HD13 LEU 73 3HD1 LEU 73 -10.431 -6.792 -0.146 552 HD21 LEU 73 1HD2 LEU 73 -9.589 -9.537 2.044 553 HD22 LEU 73 2HD2 LEU 73 -8.632 -9.393 0.569 554 HD23 LEU 73 3HD2 LEU 73 -10.365 -9.067 0.531 555 H ALA 74 H ALA 74 -5.413 -6.580 3.233 556 HA ALA 74 HA ALA 74 -3.415 -8.350 2.369 557 HB1 ALA 74 1HB ALA 74 -2.697 -6.222 2.085 558 HB2 ALA 74 2HB ALA 74 -3.478 -5.644 3.557 559 HB3 ALA 74 3HB ALA 74 -1.951 -6.520 3.654 560 H GLU 75 H GLU 75 -5.028 -8.244 5.305 561 HA GLU 75 HA GLU 75 -2.784 -9.335 6.833 562 HB2 GLU 75 1HB GLU 75 -4.269 -7.560 7.812 563 HB3 GLU 75 2HB GLU 75 -5.582 -8.727 7.794 564 HG2 GLU 75 1HG GLU 75 -3.854 -10.186 9.139 565 HG3 GLU 75 2HG GLU 75 -3.172 -8.607 9.523 566 H LYS 76 H LYS 76 -5.710 -10.283 5.253 567 HA LYS 76 HA LYS 76 -5.694 -12.912 6.530 568 HB2 LYS 76 1HB LYS 76 -7.855 -11.782 6.286 569 HB3 LYS 76 2HB LYS 76 -7.624 -11.694 4.545 570 HG2 LYS 76 1HG LYS 76 -9.050 -13.499 4.811 571 HG3 LYS 76 2HG LYS 76 -7.464 -14.257 4.648 572 HD2 LYS 76 1HD LYS 76 -8.478 -15.366 6.451 573 HD3 LYS 76 2HD LYS 76 -7.371 -14.211 7.198 574 HE2 LYS 76 1HE LYS 76 -9.387 -12.638 7.305 575 HE3 LYS 76 2HE LYS 76 -10.362 -14.066 6.964 576 HZ1 LYS 76 1HZ LYS 76 -8.493 -13.784 9.255 577 HZ2 LYS 76 2HZ LYS 76 -9.489 -15.114 8.939 578 HZ3 LYS 76 3HZ LYS 76 -10.174 -13.623 9.344 579 H GLU 77 H GLU 77 -5.868 -11.640 3.197 580 HA GLU 77 HA GLU 77 -5.188 -14.091 1.974 581 HB2 GLU 77 1HB GLU 77 -4.758 -11.332 0.824 582 HB3 GLU 77 2HB GLU 77 -4.963 -12.835 -0.064 583 HG2 GLU 77 1HG GLU 77 -7.085 -11.645 1.699 584 HG3 GLU 77 2HG GLU 77 -6.957 -11.333 -0.031 585 H LEU 78 H LEU 78 -3.206 -11.128 1.973 586 HA LEU 78 HA LEU 78 -0.813 -12.438 1.324 587 HB2 LEU 78 1HB LEU 78 -0.998 -9.861 2.859 588 HB3 LEU 78 2HB LEU 78 0.283 -10.386 1.769 589 HG LEU 78 HG LEU 78 -2.523 -9.700 0.900 590 HD11 LEU 78 1HD1 LEU 78 -0.018 -8.050 0.621 591 HD12 LEU 78 2HD1 LEU 78 -1.274 -7.762 1.825 592 HD13 LEU 78 3HD1 LEU 78 -1.649 -7.613 0.108 593 HD21 LEU 78 1HD2 LEU 78 -1.960 -10.505 -1.087 594 HD22 LEU 78 2HD2 LEU 78 -0.470 -11.127 -0.377 595 HD23 LEU 78 3HD2 LEU 78 -0.494 -9.525 -1.116 596 H GLY 79 H GLY 79 -2.139 -11.424 4.455 597 HA2 GLY 79 1HA GLY 79 -1.823 -12.639 6.461 598 HA3 GLY 79 2HA GLY 79 -0.407 -13.398 5.749 599 H LEU 80 H LEU 80 -0.963 -9.946 5.639 600 HA LEU 80 HA LEU 80 1.530 -9.510 7.052 601 HB2 LEU 80 1HB LEU 80 -0.396 -7.612 5.723 602 HB3 LEU 80 2HB LEU 80 1.114 -7.121 6.487 603 HG LEU 80 HG LEU 80 1.021 -9.067 4.194 604 HD11 LEU 80 1HD1 LEU 80 1.086 -6.066 4.163 605 HD12 LEU 80 2HD1 LEU 80 0.042 -7.159 3.254 606 HD13 LEU 80 3HD1 LEU 80 1.752 -7.032 2.846 607 HD21 LEU 80 1HD2 LEU 80 3.113 -7.665 5.753 608 HD22 LEU 80 2HD2 LEU 80 3.377 -7.829 4.016 609 HD23 LEU 80 3HD2 LEU 80 3.128 -9.265 5.011 610 H THR 81 H THR 81 1.773 -8.482 9.000 611 HA THR 81 HA THR 81 -0.491 -8.586 10.781 612 HB THR 81 HB THR 81 2.382 -7.777 11.255 613 HG1 THR 81 1HG THR 81 2.249 -9.968 10.960 614 HG21 THR 81 1HG2 THR 81 1.244 -8.428 13.695 615 HG22 THR 81 2HG2 THR 81 0.015 -7.438 12.907 616 HG23 THR 81 3HG2 THR 81 1.647 -6.808 13.131 617 H LYS 82 H LYS 82 -1.927 -6.981 10.732 618 HA LYS 82 HA LYS 82 -1.660 -4.453 9.710 619 HB2 LYS 82 1HB LYS 82 -3.425 -5.597 11.842 620 HB3 LYS 82 2HB LYS 82 -3.478 -3.871 11.509 621 HG2 LYS 82 1HG LYS 82 -3.920 -4.447 9.108 622 HG3 LYS 82 2HG LYS 82 -4.099 -6.127 9.620 623 HD2 LYS 82 1HD LYS 82 -5.695 -3.865 10.806 624 HD3 LYS 82 2HD LYS 82 -6.241 -4.806 9.415 625 HE2 LYS 82 1HE LYS 82 -6.553 -6.713 10.660 626 HE3 LYS 82 2HE LYS 82 -5.368 -6.241 11.878 627 HZ1 LYS 82 1HZ LYS 82 -7.902 -6.148 12.397 628 HZ2 LYS 82 2HZ LYS 82 -7.823 -4.658 11.599 629 HZ3 LYS 82 3HZ LYS 82 -6.871 -4.934 12.971 630 H LEU 83 H LEU 83 -0.178 -2.970 10.175 631 HA LEU 83 HA LEU 83 0.836 -2.730 12.903 632 HB2 LEU 83 1HB LEU 83 1.769 -1.199 10.493 633 HB3 LEU 83 2HB LEU 83 2.631 -1.481 12.004 634 HG LEU 83 HG LEU 83 1.965 -3.668 10.040 635 HD11 LEU 83 1HD1 LEU 83 3.714 -1.591 9.568 636 HD12 LEU 83 2HD1 LEU 83 3.744 -3.175 8.795 637 HD13 LEU 83 3HD1 LEU 83 4.750 -2.865 10.210 638 HD21 LEU 83 1HD2 LEU 83 4.165 -4.434 11.426 639 HD22 LEU 83 2HD2 LEU 83 2.511 -4.873 11.856 640 HD23 LEU 83 3HD2 LEU 83 3.297 -3.509 12.653 641 H LEU 84 H LEU 84 -1.008 -0.963 10.512 642 HA LEU 84 HA LEU 84 -1.336 1.245 12.434 643 HB2 LEU 84 1HB LEU 84 -1.815 1.288 9.460 644 HB3 LEU 84 2HB LEU 84 -1.912 2.661 10.560 645 HG LEU 84 HG LEU 84 0.624 1.133 9.985 646 HD11 LEU 84 1HD1 LEU 84 0.332 3.864 8.960 647 HD12 LEU 84 2HD1 LEU 84 -0.681 2.661 8.162 648 HD13 LEU 84 3HD1 LEU 84 1.068 2.441 8.221 649 HD21 LEU 84 1HD2 LEU 84 0.075 3.753 11.374 650 HD22 LEU 84 2HD2 LEU 84 1.678 3.140 10.972 651 HD23 LEU 84 3HD2 LEU 84 0.661 2.264 12.117 652 H ASP 85 H ASP 85 -3.561 2.449 11.706 653 HA ASP 85 HA ASP 85 -5.660 0.396 11.564 654 HB2 ASP 85 1HB ASP 85 -5.413 2.626 13.581 655 HB3 ASP 85 2HB ASP 85 -6.941 1.813 13.252 656 HA PRO 86 HA PRO 86 -7.583 2.986 8.590 657 HB2 PRO 86 1HB PRO 86 -10.203 2.420 9.021 658 HB3 PRO 86 2HB PRO 86 -9.087 1.281 8.257 659 HG2 PRO 86 1HG PRO 86 -10.036 1.388 11.094 660 HG3 PRO 86 2HG PRO 86 -9.839 -0.018 10.032 661 HD2 PRO 86 1HD PRO 86 -8.019 0.644 11.925 662 HD3 PRO 86 2HD PRO 86 -7.565 -0.131 10.393 663 H GLU 87 H GLU 87 -7.731 3.620 11.841 664 HA GLU 87 HA GLU 87 -9.434 5.992 11.472 665 HB2 GLU 87 1HB GLU 87 -9.501 6.016 13.997 666 HB3 GLU 87 2HB GLU 87 -10.315 4.660 13.229 667 HG2 GLU 87 1HG GLU 87 -8.458 3.207 13.722 668 HG3 GLU 87 2HG GLU 87 -7.538 4.558 14.384 669 H ASP 88 H ASP 88 -6.295 4.853 12.534 670 HA ASP 88 HA ASP 88 -5.390 7.414 13.452 671 HB2 ASP 88 1HB ASP 88 -3.972 4.817 12.860 672 HB3 ASP 88 2HB ASP 88 -3.121 6.262 13.399 673 H VAL 89 H VAL 89 -4.879 5.468 10.530 674 HA VAL 89 HA VAL 89 -3.092 7.228 9.255 675 HB VAL 89 HB VAL 89 -5.027 5.258 8.029 676 HG11 VAL 89 1HG1 VAL 89 -4.123 7.109 6.527 677 HG12 VAL 89 2HG1 VAL 89 -2.544 6.352 6.739 678 HG13 VAL 89 3HG1 VAL 89 -3.864 5.447 5.998 679 HG21 VAL 89 1HG2 VAL 89 -2.404 5.011 9.325 680 HG22 VAL 89 2HG2 VAL 89 -3.669 3.807 9.082 681 HG23 VAL 89 3HG2 VAL 89 -2.548 4.183 7.774 682 H ASN 90 H ASN 90 -6.608 6.815 8.821 683 HA ASN 90 HA ASN 90 -6.973 8.867 6.964 684 HB2 ASN 90 1HB ASN 90 -8.686 7.176 7.446 685 HB3 ASN 90 2HB ASN 90 -8.914 7.856 9.056 686 HD21 ASN 90 1HD2 ASN 90 -9.960 7.879 5.892 687 HD22 ASN 90 2HD2 ASN 90 -10.910 9.321 5.936 688 H VAL 91 H VAL 91 -5.608 10.578 7.717 689 HA VAL 91 HA VAL 91 -7.029 12.417 9.462 690 HB VAL 91 HB VAL 91 -5.546 11.176 10.999 691 HG11 VAL 91 1HG1 VAL 91 -3.643 11.630 8.876 692 HG12 VAL 91 2HG1 VAL 91 -3.019 12.195 10.427 693 HG13 VAL 91 3HG1 VAL 91 -3.556 10.524 10.247 694 HG21 VAL 91 1HG2 VAL 91 -4.726 13.063 12.143 695 HG22 VAL 91 2HG2 VAL 91 -4.495 13.970 10.648 696 HG23 VAL 91 3HG2 VAL 91 -6.124 13.642 11.237 697 H ASP 92 H ASP 92 -6.154 14.606 9.371 698 HA ASP 92 HA ASP 92 -5.692 15.516 6.806 699 HB2 ASP 92 1HB ASP 92 -4.818 16.849 9.379 700 HB3 ASP 92 2HB ASP 92 -5.033 17.647 7.824 701 H GLN 93 H GLN 93 -3.271 15.122 9.394 702 HA GLN 93 HA GLN 93 -1.236 14.736 7.311 703 HB2 GLN 93 1HB GLN 93 0.350 15.985 8.895 704 HB3 GLN 93 2HB GLN 93 -0.781 16.943 7.950 705 HG2 GLN 93 1HG GLN 93 -1.061 17.928 9.971 706 HG3 GLN 93 2HG GLN 93 -2.276 16.658 10.104 707 HE21 GLN 93 1HE2 GLN 93 -2.282 16.150 12.191 708 HE22 GLN 93 2HE2 GLN 93 -0.897 15.678 13.110 709 HA PRO 94 HA PRO 94 -1.101 11.251 10.307 710 HB2 PRO 94 1HB PRO 94 -0.501 9.386 8.430 711 HB3 PRO 94 2HB PRO 94 -2.156 9.896 8.781 712 HG2 PRO 94 1HG PRO 94 -0.339 10.758 6.564 713 HG3 PRO 94 2HG PRO 94 -2.066 10.356 6.504 714 HD2 PRO 94 1HD PRO 94 -1.165 12.909 6.559 715 HD3 PRO 94 2HD PRO 94 -2.702 12.423 7.301 716 H ASP 95 H ASP 95 0.694 9.528 10.488 717 HA ASP 95 HA ASP 95 3.228 10.931 10.399 718 HB2 ASP 95 1HB ASP 95 2.185 8.488 11.751 719 HB3 ASP 95 2HB ASP 95 3.922 8.597 11.477 720 H GLU 96 H GLU 96 3.953 10.970 8.314 721 HA GLU 96 HA GLU 96 3.762 9.033 6.374 722 HB2 GLU 96 1HB GLU 96 5.746 10.050 5.338 723 HB3 GLU 96 2HB GLU 96 4.618 11.267 5.917 724 HG2 GLU 96 1HG GLU 96 6.943 10.391 7.586 725 HG3 GLU 96 2HG GLU 96 7.121 11.618 6.332 726 H LYS 97 H LYS 97 6.111 9.279 8.988 727 HA LYS 97 HA LYS 97 7.782 7.161 8.104 728 HB2 LYS 97 1HB LYS 97 7.400 8.500 10.776 729 HB3 LYS 97 2HB LYS 97 8.541 7.183 10.544 730 HG2 LYS 97 1HG LYS 97 8.630 9.634 8.826 731 HG3 LYS 97 2HG LYS 97 9.410 9.588 10.409 732 HD2 LYS 97 1HD LYS 97 10.996 8.082 9.736 733 HD3 LYS 97 2HD LYS 97 9.944 7.354 8.520 734 HE2 LYS 97 1HE LYS 97 10.324 9.101 6.994 735 HE3 LYS 97 2HE LYS 97 10.997 10.152 8.239 736 HZ1 LYS 97 1HZ LYS 97 12.443 7.692 7.940 737 HZ2 LYS 97 2HZ LYS 97 13.015 9.284 7.965 738 HZ3 LYS 97 3HZ LYS 97 12.431 8.618 6.523 739 H SER 98 H SER 98 4.829 7.305 9.935 740 HA SER 98 HA SER 98 5.038 4.619 10.952 741 HB2 SER 98 1HB SER 98 2.991 6.793 11.059 742 HB3 SER 98 2HB SER 98 2.475 5.139 11.387 743 HG SER 98 HG SER 98 3.242 5.457 13.308 744 H ILE 99 H ILE 99 4.096 6.047 8.020 745 HA ILE 99 HA ILE 99 2.409 3.777 7.261 746 HB ILE 99 HB ILE 99 2.997 6.334 5.764 747 HG12 ILE 99 1HG1 ILE 99 0.432 5.478 7.113 748 HG13 ILE 99 2HG1 ILE 99 1.627 6.520 7.879 749 HG21 ILE 99 1HG2 ILE 99 1.686 5.620 4.043 750 HG22 ILE 99 2HG2 ILE 99 2.338 4.067 4.563 751 HG23 ILE 99 3HG2 ILE 99 0.722 4.559 5.069 752 HD11 ILE 99 1HD1 ILE 99 -0.157 7.088 5.554 753 HD12 ILE 99 2HD1 ILE 99 0.084 8.014 7.035 754 HD13 ILE 99 3HD1 ILE 99 1.333 8.002 5.792 755 H ILE 100 H ILE 100 5.276 5.542 6.112 756 HA ILE 100 HA ILE 100 5.952 4.085 3.903 757 HB ILE 100 HB ILE 100 7.808 5.195 6.008 758 HG12 ILE 100 1HG1 ILE 100 7.351 6.370 3.293 759 HG13 ILE 100 2HG1 ILE 100 6.159 6.646 4.558 760 HG21 ILE 100 1HG2 ILE 100 8.462 4.285 3.208 761 HG22 ILE 100 2HG2 ILE 100 9.574 5.059 4.336 762 HG23 ILE 100 3HG2 ILE 100 8.927 3.458 4.694 763 HD11 ILE 100 1HD1 ILE 100 7.692 8.484 4.487 764 HD12 ILE 100 2HD1 ILE 100 7.952 7.578 5.978 765 HD13 ILE 100 3HD1 ILE 100 9.071 7.393 4.627 766 H THR 101 H THR 101 6.371 3.183 7.271 767 HA THR 101 HA THR 101 7.991 0.894 6.778 768 HB THR 101 HB THR 101 6.222 1.349 9.183 769 HG1 THR 101 1HG THR 101 8.932 2.165 8.890 770 HG21 THR 101 1HG2 THR 101 8.095 -0.685 8.437 771 HG22 THR 101 2HG2 THR 101 7.114 -0.562 9.898 772 HG23 THR 101 3HG2 THR 101 8.708 0.190 9.839 773 H TYR 102 H TYR 102 4.517 1.383 7.275 774 HA TYR 102 HA TYR 102 3.815 -1.357 7.227 775 HB2 TYR 102 1HB TYR 102 2.282 0.236 8.174 776 HB3 TYR 102 2HB TYR 102 2.201 1.136 6.662 777 HD1 TYR 102 2HD TYR 102 1.129 0.023 4.654 778 HD2 TYR 102 1HD TYR 102 0.814 -1.555 8.593 779 HE1 TYR 102 2HE TYR 102 -0.815 -1.313 3.958 780 HE2 TYR 102 1HE TYR 102 -1.130 -2.896 7.907 781 HH TYR 102 HH TYR 102 -1.976 -3.387 4.681 782 H VAL 103 H VAL 103 3.397 1.155 4.725 783 HA VAL 103 HA VAL 103 2.530 -0.477 2.666 784 HB VAL 103 HB VAL 103 2.534 1.980 2.538 785 HG11 VAL 103 1HG1 VAL 103 4.525 2.751 3.403 786 HG12 VAL 103 2HG1 VAL 103 5.490 1.566 2.522 787 HG13 VAL 103 3HG1 VAL 103 4.799 2.947 1.672 788 HG21 VAL 103 1HG2 VAL 103 3.266 0.157 0.455 789 HG22 VAL 103 2HG2 VAL 103 2.247 1.594 0.369 790 HG23 VAL 103 3HG2 VAL 103 3.991 1.735 0.146 791 H ALA 104 H ALA 104 5.749 -0.016 3.921 792 HA ALA 104 HA ALA 104 7.259 -0.988 1.777 793 HB1 ALA 104 1HB ALA 104 8.964 -1.542 3.513 794 HB2 ALA 104 2HB ALA 104 8.349 0.109 3.599 795 HB3 ALA 104 3HB ALA 104 7.777 -1.106 4.742 796 H THR 105 H THR 105 5.363 -2.645 4.190 797 HA THR 105 HA THR 105 6.468 -5.226 3.884 798 HB THR 105 HB THR 105 4.623 -6.053 5.098 799 HG1 THR 105 1HG THR 105 3.140 -3.682 4.622 800 HG21 THR 105 1HG2 THR 105 4.220 -3.567 6.435 801 HG22 THR 105 2HG2 THR 105 5.903 -3.657 5.915 802 HG23 THR 105 3HG2 THR 105 5.223 -4.931 6.926 803 H TYR 106 H TYR 106 4.184 -3.400 2.011 804 HA TYR 106 HA TYR 106 3.002 -5.575 0.622 805 HB2 TYR 106 1HB TYR 106 3.138 -2.615 0.199 806 HB3 TYR 106 2HB TYR 106 2.544 -3.643 -1.100 807 HD1 TYR 106 1HD TYR 106 2.014 -4.322 2.488 808 HD2 TYR 106 2HD TYR 106 0.294 -2.856 -1.116 809 HE1 TYR 106 1HE TYR 106 -0.208 -4.360 3.541 810 HE2 TYR 106 2HE TYR 106 -1.934 -2.888 -0.073 811 HH TYR 106 HH TYR 106 -3.069 -4.096 1.802 812 H TYR 107 H TYR 107 5.746 -3.452 -0.057 813 HA TYR 107 HA TYR 107 6.277 -4.579 -2.629 814 HB2 TYR 107 1HB TYR 107 7.027 -2.354 -2.285 815 HB3 TYR 107 2HB TYR 107 7.854 -2.782 -0.792 816 HD1 TYR 107 2HD TYR 107 7.924 -3.454 -4.458 817 HD2 TYR 107 1HD TYR 107 10.134 -3.238 -0.829 818 HE1 TYR 107 2HE TYR 107 10.011 -3.785 -5.716 819 HE2 TYR 107 1HE TYR 107 12.228 -3.566 -2.077 820 HH TYR 107 HH TYR 107 13.022 -3.163 -4.476 821 H HIS 108 H HIS 108 8.036 -4.755 0.470 822 HA HIS 108 HA HIS 108 9.962 -6.592 -0.226 823 HB2 HIS 108 1HB HIS 108 8.531 -6.165 2.396 824 HB3 HIS 108 2HB HIS 108 9.883 -7.279 2.227 825 HD1 HIS 108 1HD HIS 108 11.976 -6.246 3.003 826 HD2 HIS 108 2HD HIS 108 9.458 -3.456 1.235 827 HE1 HIS 108 1HE HIS 108 13.209 -4.057 3.121 828 HE2 HIS 108 2HE HIS 108 11.630 -2.369 2.123 829 H TYR 109 H TYR 109 6.670 -7.227 0.929 830 HA TYR 109 HA TYR 109 6.842 -10.014 1.073 831 HB2 TYR 109 1HB TYR 109 4.948 -9.073 2.081 832 HB3 TYR 109 2HB TYR 109 4.555 -8.108 0.662 833 HD1 TYR 109 2HD TYR 109 4.426 -11.482 2.128 834 HD2 TYR 109 1HD TYR 109 3.253 -9.016 -1.134 835 HE1 TYR 109 2HE TYR 109 2.843 -13.216 1.395 836 HE2 TYR 109 1HE TYR 109 1.666 -10.743 -1.877 837 HH TYR 109 HH TYR 109 1.305 -13.795 -0.090 838 H PHE 110 H PHE 110 5.069 -8.255 -1.467 839 HA PHE 110 HA PHE 110 4.785 -10.278 -3.272 840 HB2 PHE 110 1HB PHE 110 5.002 -7.322 -3.526 841 HB3 PHE 110 2HB PHE 110 5.116 -8.269 -5.007 842 HD1 PHE 110 2HD PHE 110 3.241 -10.080 -5.311 843 HD2 PHE 110 1HD PHE 110 2.929 -6.669 -2.784 844 HE1 PHE 110 2HE PHE 110 0.788 -10.247 -5.394 845 HE2 PHE 110 1HE PHE 110 0.475 -6.831 -2.862 846 HZ PHE 110 HZ PHE 110 -0.599 -8.621 -4.170 847 H SER 111 H SER 111 7.634 -8.287 -2.735 848 HA SER 111 HA SER 111 9.120 -9.061 -4.982 849 HB2 SER 111 1HB SER 111 10.921 -7.993 -3.987 850 HB3 SER 111 2HB SER 111 9.571 -7.237 -3.139 851 HG SER 111 HG SER 111 11.434 -9.107 -2.223 852 H LYS 112 H LYS 112 9.024 -10.426 -1.703 853 HA LYS 112 HA LYS 112 10.951 -12.355 -1.860 854 HB2 LYS 112 1HB LYS 112 8.225 -12.524 -0.571 855 HB3 LYS 112 2HB LYS 112 9.499 -13.708 -0.311 856 HG2 LYS 112 1HG LYS 112 10.881 -11.544 0.322 857 HG3 LYS 112 2HG LYS 112 9.267 -10.917 0.667 858 HD2 LYS 112 1HD LYS 112 8.872 -12.931 2.091 859 HD3 LYS 112 2HD LYS 112 10.564 -13.371 1.847 860 HE2 LYS 112 1HE LYS 112 9.758 -10.688 2.928 861 HE3 LYS 112 2HE LYS 112 9.964 -12.089 3.978 862 HZ1 LYS 112 1HZ LYS 112 12.023 -10.831 2.252 863 HZ2 LYS 112 2HZ LYS 112 12.244 -12.300 3.059 864 HZ3 LYS 112 3HZ LYS 112 11.996 -10.880 3.943 865 H MET 113 H MET 113 7.649 -12.538 -3.121 866 HA MET 113 HA MET 113 7.764 -15.224 -3.970 867 HB2 MET 113 1HB MET 113 6.059 -12.873 -4.739 868 HB3 MET 113 2HB MET 113 5.908 -14.408 -5.585 869 HG2 MET 113 1HG MET 113 5.733 -14.279 -2.603 870 HG3 MET 113 2HG MET 113 4.338 -13.905 -3.613 871 HE1 MET 113 1HE MET 113 4.075 -17.214 -1.730 872 HE2 MET 113 2HE MET 113 3.618 -15.515 -1.850 873 HE3 MET 113 3HE MET 113 2.772 -16.726 -2.815 874 H LYS 114 H LYS 114 7.524 -15.812 -6.364 875 HA LYS 114 HA LYS 114 8.636 -16.134 -8.328 876 HB2 LYS 114 1HB LYS 114 8.637 -13.110 -8.323 877 HB3 LYS 114 2HB LYS 114 8.889 -14.134 -9.731 878 HG2 LYS 114 1HG LYS 114 6.375 -14.208 -8.086 879 HG3 LYS 114 2HG LYS 114 6.590 -13.145 -9.478 880 HD2 LYS 114 1HD LYS 114 7.167 -16.051 -9.796 881 HD3 LYS 114 2HD LYS 114 5.483 -15.525 -9.731 882 HE2 LYS 114 1HE LYS 114 5.640 -14.332 -11.692 883 HE3 LYS 114 2HE LYS 114 7.380 -14.093 -11.532 884 HZ1 LYS 114 1HZ LYS 114 5.962 -16.559 -12.366 885 HZ2 LYS 114 2HZ LYS 114 7.602 -16.537 -11.953 886 HZ3 LYS 114 3HZ LYS 114 7.050 -15.632 -13.272 887 H ALA 115 H ALA 115 10.326 -16.436 -6.212 888 HA ALA 115 HA ALA 115 12.858 -15.599 -7.389 889 HB1 ALA 115 1HB ALA 115 11.897 -14.087 -5.371 890 HB2 ALA 115 2HB ALA 115 12.800 -15.299 -4.461 891 HB3 ALA 115 3HB ALA 115 13.615 -14.331 -5.689 892 H LEU 116 H LEU 116 14.700 -16.589 -5.881 893 HA LEU 116 HA LEU 116 14.154 -19.430 -5.832 894 HB2 LEU 116 1HB LEU 116 16.572 -19.624 -5.330 895 HB3 LEU 116 2HB LEU 116 16.218 -18.739 -6.813 896 HG LEU 116 HG LEU 116 16.669 -17.187 -4.311 897 HD11 LEU 116 1HD1 LEU 116 18.880 -17.554 -4.151 898 HD12 LEU 116 2HD1 LEU 116 19.079 -17.774 -5.890 899 HD13 LEU 116 3HD1 LEU 116 18.481 -19.102 -4.896 900 HD21 LEU 116 1HD2 LEU 116 18.022 -16.051 -6.424 901 HD22 LEU 116 2HD2 LEU 116 16.412 -15.604 -5.862 902 HD23 LEU 116 3HD2 LEU 116 16.596 -16.755 -7.186 903 H ALA 117 H ALA 117 13.980 -20.710 -4.073 904 HA ALA 117 HA ALA 117 14.214 -19.409 -1.436 905 HB1 ALA 117 1HB ALA 117 11.899 -20.257 -2.463 906 HB2 ALA 117 2HB ALA 117 12.443 -21.762 -1.719 907 HB3 ALA 117 3HB ALA 117 12.256 -20.310 -0.736 908 H VAL 118 H VAL 118 14.503 -21.053 0.369 909 HA VAL 118 HA VAL 118 15.909 -23.478 -0.379 910 HB VAL 118 HB VAL 118 17.317 -21.311 1.188 911 HG11 VAL 118 1HG1 VAL 118 18.403 -23.983 0.320 912 HG12 VAL 118 2HG1 VAL 118 19.159 -22.801 1.390 913 HG13 VAL 118 3HG1 VAL 118 17.726 -23.682 1.922 914 HG21 VAL 118 1HG2 VAL 118 17.789 -22.410 -1.578 915 HG22 VAL 118 2HG2 VAL 118 17.338 -20.762 -1.145 916 HG23 VAL 118 3HG2 VAL 118 18.931 -21.382 -0.712 917 H GLU 119 H GLU 119 15.963 -25.006 1.243 918 HA GLU 119 HA GLU 119 14.203 -24.484 3.493 919 HB2 GLU 119 1HB GLU 119 15.325 -26.919 2.187 920 HB3 GLU 119 2HB GLU 119 14.825 -27.036 3.868 921 HG2 GLU 119 1HG GLU 119 13.000 -27.734 2.531 922 HG3 GLU 119 2HG GLU 119 12.595 -26.148 3.188 923 H GLY 120 H GLY 120 14.786 -25.207 5.678 924 HA2 GLY 120 1HA GLY 120 17.335 -25.846 6.554 925 HA3 GLY 120 2HA GLY 120 17.274 -24.091 6.487 926 H LYS 121 H LYS 121 17.551 -25.882 8.797 927 HA LYS 121 HA LYS 121 15.491 -24.660 10.437 928 HB2 LYS 121 1HB LYS 121 14.801 -27.045 9.552 929 HB3 LYS 121 2HB LYS 121 15.888 -27.600 10.820 930 HG2 LYS 121 1HG LYS 121 14.579 -26.302 12.461 931 HG3 LYS 121 2HG LYS 121 13.457 -25.859 11.174 932 HD2 LYS 121 1HD LYS 121 14.076 -28.738 11.699 933 HD3 LYS 121 2HD LYS 121 12.916 -27.884 12.718 934 HE2 LYS 121 1HE LYS 121 11.957 -27.146 10.359 935 HE3 LYS 121 2HE LYS 121 12.741 -28.641 9.849 936 HZ1 LYS 121 1HZ LYS 121 10.270 -28.371 11.062 937 HZ2 LYS 121 2HZ LYS 121 11.275 -29.072 12.227 938 HZ3 LYS 121 3HZ LYS 121 11.090 -29.809 10.716 939 H SER 122 H SER 122 16.772 -23.615 11.826 940 HA SER 122 HA SER 122 19.335 -24.028 12.548 941 HB2 SER 122 1HB SER 122 17.075 -23.131 14.349 942 HB3 SER 122 2HB SER 122 18.782 -22.976 14.759 943 HG SER 122 HG SER 122 17.877 -21.956 12.313 944 H GLY 123 H GLY 123 16.577 -25.402 14.353 945 HA2 GLY 123 1HA GLY 123 17.410 -27.964 14.660 946 HA3 GLY 123 2HA GLY 123 18.321 -27.106 15.895 947 HA PRO 124 HA PRO 124 14.191 -28.416 17.625 948 HB2 PRO 124 1HB PRO 124 15.211 -29.667 19.808 949 HB3 PRO 124 2HB PRO 124 14.972 -30.482 18.258 950 HG2 PRO 124 1HG PRO 124 17.474 -29.324 19.423 951 HG3 PRO 124 2HG PRO 124 17.245 -30.862 18.570 952 HD2 PRO 124 1HD PRO 124 18.275 -28.666 17.365 953 HD3 PRO 124 2HD PRO 124 17.291 -29.860 16.495 954 H SER 125 H SER 125 13.809 -28.295 20.261 955 HA SER 125 HA SER 125 15.169 -26.152 21.561 956 HB2 SER 125 1HB SER 125 12.577 -25.602 20.154 957 HB3 SER 125 2HB SER 125 12.963 -24.747 21.647 958 HG SER 125 HG SER 125 13.647 -23.767 19.565 959 H SER 126 H SER 126 14.119 -25.579 23.647 960 HA SER 126 HA SER 126 12.046 -27.312 24.640 961 HB2 SER 126 1HB SER 126 13.390 -28.403 26.366 962 HB3 SER 126 2HB SER 126 14.023 -28.795 24.768 963 HG SER 126 HG SER 126 15.723 -27.458 25.101 964 H GLY 127 H GLY 127 11.721 -26.931 27.057 965 HA2 GLY 127 1HA GLY 127 12.559 -24.205 27.805 966 HA3 GLY 127 2HA GLY 127 10.862 -24.661 27.870 Start of MODEL 3 1 H1 GLY 1 H GLY 1 13.651 3.726 -15.512 2 HA2 GLY 1 1HA GLY 1 11.757 5.820 -14.742 3 HA3 GLY 1 2HA GLY 1 13.033 5.155 -13.733 4 H SER 2 H SER 2 12.201 7.955 -14.682 5 HA SER 2 HA SER 2 14.876 8.786 -15.598 6 HB2 SER 2 1HB SER 2 13.853 10.653 -16.754 7 HB3 SER 2 2HB SER 2 13.058 9.166 -17.270 8 HG SER 2 HG SER 2 12.065 10.835 -15.206 9 H SER 3 H SER 3 12.992 8.664 -12.962 10 HA SER 3 HA SER 3 13.940 11.254 -11.926 11 HB2 SER 3 1HB SER 3 11.523 9.613 -11.151 12 HB3 SER 3 2HB SER 3 12.099 10.992 -10.217 13 HG SER 3 HG SER 3 11.956 12.064 -12.442 14 H GLY 4 H GLY 4 15.998 10.188 -11.501 15 HA2 GLY 4 1HA GLY 4 15.986 8.153 -9.408 16 HA3 GLY 4 2HA GLY 4 17.389 8.714 -10.306 17 H SER 5 H SER 5 16.295 8.553 -7.322 18 HA SER 5 HA SER 5 17.701 10.991 -6.517 19 HB2 SER 5 1HB SER 5 14.890 10.238 -5.757 20 HB3 SER 5 2HB SER 5 15.883 11.214 -4.675 21 HG SER 5 HG SER 5 16.223 12.487 -6.770 22 H SER 6 H SER 6 18.830 10.826 -4.611 23 HA SER 6 HA SER 6 19.511 8.200 -3.753 24 HB2 SER 6 1HB SER 6 21.162 10.006 -3.740 25 HB3 SER 6 2HB SER 6 20.208 10.891 -2.549 26 HG SER 6 HG SER 6 21.205 9.778 -1.089 27 H GLY 7 H GLY 7 19.312 7.327 -1.615 28 HA2 GLY 7 1HA GLY 7 18.364 7.380 0.594 29 HA3 GLY 7 2HA GLY 7 17.137 8.487 -0.004 30 H ALA 8 H ALA 8 17.060 5.794 1.386 31 HA ALA 8 HA ALA 8 15.927 3.969 -0.504 32 HB1 ALA 8 1HB ALA 8 15.702 2.486 1.256 33 HB2 ALA 8 2HB ALA 8 17.066 3.477 1.775 34 HB3 ALA 8 3HB ALA 8 15.460 3.768 2.442 35 H LYS 9 H LYS 9 14.612 6.156 1.956 36 HA LYS 9 HA LYS 9 11.954 5.489 1.909 37 HB2 LYS 9 1HB LYS 9 12.745 7.166 3.427 38 HB3 LYS 9 2HB LYS 9 13.241 8.214 2.103 39 HG2 LYS 9 1HG LYS 9 10.778 8.278 1.454 40 HG3 LYS 9 2HG LYS 9 10.465 7.578 3.043 41 HD2 LYS 9 1HD LYS 9 11.329 9.460 4.159 42 HD3 LYS 9 2HD LYS 9 12.120 10.064 2.701 43 HE2 LYS 9 1HE LYS 9 10.159 10.883 1.816 44 HE3 LYS 9 2HE LYS 9 9.153 9.751 2.720 45 HZ1 LYS 9 1HZ LYS 9 9.176 11.060 4.567 46 HZ2 LYS 9 2HZ LYS 9 9.291 12.262 3.385 47 HZ3 LYS 9 3HZ LYS 9 10.676 11.758 4.215 48 H ASP 10 H ASP 10 13.649 7.661 -0.332 49 HA ASP 10 HA ASP 10 11.400 8.354 -1.877 50 HB2 ASP 10 1HB ASP 10 14.360 8.371 -2.410 51 HB3 ASP 10 2HB ASP 10 13.210 8.817 -3.666 52 H ALA 11 H ALA 11 13.894 5.869 -2.384 53 HA ALA 11 HA ALA 11 13.226 4.813 -4.778 54 HB1 ALA 11 1HB ALA 11 14.469 3.808 -2.376 55 HB2 ALA 11 2HB ALA 11 13.570 2.540 -3.210 56 HB3 ALA 11 3HB ALA 11 14.823 3.441 -4.064 57 H LEU 12 H LEU 12 11.560 4.129 -1.719 58 HA LEU 12 HA LEU 12 9.703 2.291 -2.789 59 HB2 LEU 12 1HB LEU 12 10.236 2.533 -0.384 60 HB3 LEU 12 2HB LEU 12 9.389 4.079 -0.381 61 HG LEU 12 HG LEU 12 7.292 2.914 -0.920 62 HD11 LEU 12 1HD1 LEU 12 7.606 0.960 -1.996 63 HD12 LEU 12 2HD1 LEU 12 7.613 0.301 -0.360 64 HD13 LEU 12 3HD1 LEU 12 9.137 0.631 -1.183 65 HD21 LEU 12 1HD2 LEU 12 7.512 1.384 1.318 66 HD22 LEU 12 2HD2 LEU 12 7.215 3.123 1.312 67 HD23 LEU 12 3HD2 LEU 12 8.855 2.508 1.527 68 H LEU 13 H LEU 13 9.170 5.672 -1.769 69 HA LEU 13 HA LEU 13 6.652 6.142 -2.550 70 HB2 LEU 13 1HB LEU 13 7.859 7.942 -1.656 71 HB3 LEU 13 2HB LEU 13 9.091 7.849 -2.913 72 HG LEU 13 HG LEU 13 7.309 8.616 -4.537 73 HD11 LEU 13 1HD1 LEU 13 5.654 10.045 -2.830 74 HD12 LEU 13 2HD1 LEU 13 5.735 8.435 -2.119 75 HD13 LEU 13 3HD1 LEU 13 5.215 8.633 -3.792 76 HD21 LEU 13 1HD2 LEU 13 9.101 10.054 -3.555 77 HD22 LEU 13 2HD2 LEU 13 7.947 10.553 -2.317 78 HD23 LEU 13 3HD2 LEU 13 7.636 10.923 -4.015 79 H LEU 14 H LEU 14 9.416 5.929 -4.745 80 HA LEU 14 HA LEU 14 8.025 6.616 -7.101 81 HB2 LEU 14 1HB LEU 14 10.405 6.717 -7.079 82 HB3 LEU 14 2HB LEU 14 10.530 5.018 -6.625 83 HG LEU 14 HG LEU 14 9.543 4.462 -8.878 84 HD11 LEU 14 1HD1 LEU 14 10.271 7.296 -9.570 85 HD12 LEU 14 2HD1 LEU 14 8.622 6.788 -9.212 86 HD13 LEU 14 3HD1 LEU 14 9.479 6.092 -10.587 87 HD21 LEU 14 1HD2 LEU 14 12.134 5.983 -9.045 88 HD22 LEU 14 2HD2 LEU 14 11.633 4.573 -9.980 89 HD23 LEU 14 3HD2 LEU 14 11.992 4.410 -8.260 90 H TRP 15 H TRP 15 8.754 3.488 -5.598 91 HA TRP 15 HA TRP 15 7.810 1.776 -7.541 92 HB2 TRP 15 1HB TRP 15 8.928 1.127 -5.386 93 HB3 TRP 15 2HB TRP 15 7.390 1.398 -4.572 94 HD1 TRP 15 HD TRP 15 8.815 -0.835 -7.407 95 HE1 TRP 15 1HE TRP 15 7.550 -3.075 -7.361 96 HE3 TRP 15 3HE TRP 15 5.449 0.212 -3.704 97 HZ2 TRP 15 2HZ TRP 15 5.408 -4.245 -5.942 98 HZ3 TRP 15 3HZ TRP 15 3.826 -1.523 -3.063 99 HH2 TRP 15 HH TRP 15 3.807 -3.703 -4.159 100 H CYS 16 H CYS 16 5.924 3.044 -4.789 101 HA CYS 16 HA CYS 16 3.458 2.002 -5.540 102 HB2 CYS 16 1HB CYS 16 3.816 4.664 -4.164 103 HB3 CYS 16 2HB CYS 16 2.474 3.537 -4.002 104 HG CYS 16 HG CYS 16 5.656 2.938 -2.889 105 H GLN 17 H GLN 17 5.018 5.029 -6.472 106 HA GLN 17 HA GLN 17 2.859 6.198 -7.817 107 HB2 GLN 17 1HB GLN 17 5.818 6.519 -7.886 108 HB3 GLN 17 2HB GLN 17 4.891 7.217 -9.206 109 HG2 GLN 17 1HG GLN 17 3.469 8.298 -7.360 110 HG3 GLN 17 2HG GLN 17 4.814 7.891 -6.294 111 HE21 GLN 17 1HE2 GLN 17 4.263 10.452 -6.444 112 HE22 GLN 17 2HE2 GLN 17 5.404 11.307 -7.420 113 H MET 18 H MET 18 5.371 3.976 -8.949 114 HA MET 18 HA MET 18 4.622 4.010 -11.673 115 HB2 MET 18 1HB MET 18 6.135 2.012 -9.998 116 HB3 MET 18 2HB MET 18 5.857 1.778 -11.719 117 HG2 MET 18 1HG MET 18 6.914 4.121 -11.968 118 HG3 MET 18 2HG MET 18 7.525 3.835 -10.341 119 HE1 MET 18 1HE MET 18 10.485 2.269 -10.555 120 HE2 MET 18 2HE MET 18 9.018 2.501 -9.604 121 HE3 MET 18 3HE MET 18 9.393 0.912 -10.272 122 H LYS 19 H LYS 19 3.850 1.740 -9.045 123 HA LYS 19 HA LYS 19 2.195 0.054 -10.583 124 HB2 LYS 19 1HB LYS 19 1.998 0.552 -7.609 125 HB3 LYS 19 2HB LYS 19 1.457 -0.875 -8.483 126 HG2 LYS 19 1HG LYS 19 4.300 0.022 -8.066 127 HG3 LYS 19 2HG LYS 19 3.504 -1.379 -7.345 128 HD2 LYS 19 1HD LYS 19 3.101 -2.068 -9.831 129 HD3 LYS 19 2HD LYS 19 4.433 -0.957 -10.155 130 HE2 LYS 19 1HE LYS 19 5.968 -2.272 -9.087 131 HE3 LYS 19 2HE LYS 19 4.775 -2.960 -7.985 132 HZ1 LYS 19 1HZ LYS 19 3.903 -3.951 -10.272 133 HZ2 LYS 19 2HZ LYS 19 5.063 -4.737 -9.325 134 HZ3 LYS 19 3HZ LYS 19 5.545 -3.818 -10.660 135 H THR 20 H THR 20 1.272 2.520 -8.174 136 HA THR 20 HA THR 20 -1.472 2.460 -8.677 137 HB THR 20 HB THR 20 -1.565 4.696 -7.634 138 HG1 THR 20 1HG THR 20 1.165 4.608 -8.225 139 HG21 THR 20 1HG2 THR 20 -1.277 2.553 -6.307 140 HG22 THR 20 2HG2 THR 20 -0.816 4.043 -5.483 141 HG23 THR 20 3HG2 THR 20 0.425 2.987 -6.156 142 H ALA 21 H ALA 21 1.079 3.745 -10.557 143 HA ALA 21 HA ALA 21 -0.019 5.888 -11.880 144 HB1 ALA 21 1HB ALA 21 1.707 5.688 -13.318 145 HB2 ALA 21 2HB ALA 21 2.265 4.489 -12.151 146 HB3 ALA 21 3HB ALA 21 1.410 3.974 -13.606 147 H GLY 22 H GLY 22 -0.681 2.463 -12.342 148 HA2 GLY 22 1HA GLY 22 -2.010 2.477 -14.761 149 HA3 GLY 22 2HA GLY 22 -2.406 1.404 -13.428 150 H TYR 23 H TYR 23 -3.320 3.271 -11.564 151 HA TYR 23 HA TYR 23 -5.879 3.977 -12.794 152 HB2 TYR 23 1HB TYR 23 -5.405 4.230 -9.859 153 HB3 TYR 23 2HB TYR 23 -6.855 3.729 -10.722 154 HD1 TYR 23 2HD TYR 23 -3.456 2.603 -9.738 155 HD2 TYR 23 1HD TYR 23 -7.346 1.451 -11.020 156 HE1 TYR 23 2HE TYR 23 -2.898 0.249 -9.295 157 HE2 TYR 23 1HE TYR 23 -6.800 -0.906 -10.578 158 HH TYR 23 HH TYR 23 -4.810 -2.332 -10.393 159 HA PRO 24 HA PRO 24 -4.765 8.260 -12.849 160 HB2 PRO 24 1HB PRO 24 -7.243 9.244 -13.363 161 HB3 PRO 24 2HB PRO 24 -6.249 8.454 -14.592 162 HG2 PRO 24 1HG PRO 24 -8.503 7.333 -12.972 163 HG3 PRO 24 2HG PRO 24 -8.155 7.126 -14.698 164 HD2 PRO 24 1HD PRO 24 -7.539 5.243 -12.853 165 HD3 PRO 24 2HD PRO 24 -6.564 5.504 -14.312 166 H ASN 25 H ASN 25 -7.830 7.447 -11.201 167 HA ASN 25 HA ASN 25 -8.044 9.639 -9.555 168 HB2 ASN 25 1HB ASN 25 -9.080 7.829 -7.910 169 HB3 ASN 25 2HB ASN 25 -9.898 8.290 -9.400 170 HD21 ASN 25 1HD2 ASN 25 -10.967 6.355 -9.612 171 HD22 ASN 25 2HD2 ASN 25 -10.165 4.881 -10.025 172 H VAL 26 H VAL 26 -6.262 6.632 -8.934 173 HA VAL 26 HA VAL 26 -5.314 7.485 -6.371 174 HB VAL 26 HB VAL 26 -4.084 5.311 -8.054 175 HG11 VAL 26 1HG1 VAL 26 -4.034 6.109 -5.198 176 HG12 VAL 26 2HG1 VAL 26 -4.004 4.383 -5.566 177 HG13 VAL 26 3HG1 VAL 26 -2.754 5.446 -6.212 178 HG21 VAL 26 1HG2 VAL 26 -6.064 4.404 -6.142 179 HG22 VAL 26 2HG2 VAL 26 -6.772 5.435 -7.386 180 HG23 VAL 26 3HG2 VAL 26 -5.869 3.991 -7.845 181 H ASN 27 H ASN 27 -3.357 8.338 -5.803 182 HA ASN 27 HA ASN 27 -1.239 8.659 -7.731 183 HB2 ASN 27 1HB ASN 27 -2.992 10.567 -8.047 184 HB3 ASN 27 2HB ASN 27 -2.294 11.215 -6.565 185 HD21 ASN 27 1HD2 ASN 27 -2.180 12.647 -8.873 186 HD22 ASN 27 2HD2 ASN 27 -0.552 12.714 -9.447 187 H VAL 28 H VAL 28 0.524 8.202 -6.607 188 HA VAL 28 HA VAL 28 0.595 8.790 -3.737 189 HB VAL 28 HB VAL 28 2.498 7.094 -5.358 190 HG11 VAL 28 1HG1 VAL 28 2.876 8.212 -2.882 191 HG12 VAL 28 2HG1 VAL 28 2.258 6.605 -2.492 192 HG13 VAL 28 3HG1 VAL 28 3.697 6.778 -3.498 193 HG21 VAL 28 1HG2 VAL 28 0.535 5.937 -3.445 194 HG22 VAL 28 2HG2 VAL 28 -0.032 6.414 -5.045 195 HG23 VAL 28 3HG2 VAL 28 1.261 5.225 -4.886 196 H HIS 29 H HIS 29 1.014 11.033 -3.917 197 HA HIS 29 HA HIS 29 3.577 11.794 -5.115 198 HB2 HIS 29 1HB HIS 29 1.092 13.272 -4.377 199 HB3 HIS 29 2HB HIS 29 2.616 14.153 -4.384 200 HD1 HIS 29 1HD HIS 29 1.836 15.569 -6.409 201 HD2 HIS 29 2HD HIS 29 2.053 11.489 -7.160 202 HE1 HIS 29 1HE HIS 29 1.685 15.336 -8.909 203 HE2 HIS 29 2HE HIS 29 1.734 12.854 -9.333 204 H ASN 30 H ASN 30 2.077 11.220 -2.089 205 HA ASN 30 HA ASN 30 4.545 11.955 -0.722 206 HB2 ASN 30 1HB ASN 30 2.877 12.904 1.134 207 HB3 ASN 30 2HB ASN 30 3.537 13.925 -0.139 208 HD21 ASN 30 1HD2 ASN 30 0.874 11.590 0.139 209 HD22 ASN 30 2HD2 ASN 30 -0.327 12.625 -0.548 210 H PHE 31 H PHE 31 4.042 11.435 1.809 211 HA PHE 31 HA PHE 31 2.892 8.721 1.818 212 HB2 PHE 31 1HB PHE 31 5.339 9.829 3.172 213 HB3 PHE 31 2HB PHE 31 4.538 8.385 3.784 214 HD1 PHE 31 2HD PHE 31 3.861 6.783 1.594 215 HD2 PHE 31 1HD PHE 31 7.243 9.334 2.012 216 HE1 PHE 31 2HE PHE 31 5.094 5.411 -0.033 217 HE2 PHE 31 1HE PHE 31 8.481 7.965 0.385 218 HZ PHE 31 HZ PHE 31 7.406 6.000 -0.639 219 H THR 32 H THR 32 1.664 11.369 2.447 220 HA THR 32 HA THR 32 0.723 10.683 5.147 221 HB THR 32 HB THR 32 0.367 13.312 5.282 222 HG1 THR 32 1HG THR 32 2.742 13.078 3.722 223 HG21 THR 32 1HG2 THR 32 1.839 13.141 6.958 224 HG22 THR 32 2HG2 THR 32 3.165 12.772 5.855 225 HG23 THR 32 3HG2 THR 32 2.106 11.481 6.423 226 H THR 33 H THR 33 -0.058 13.125 2.668 227 HA THR 33 HA THR 33 -2.890 12.589 3.037 228 HB THR 33 HB THR 33 -3.269 14.505 1.569 229 HG1 THR 33 1HG THR 33 -0.467 14.308 1.198 230 HG21 THR 33 1HG2 THR 33 -2.465 14.664 4.080 231 HG22 THR 33 2HG2 THR 33 -2.690 16.114 3.101 232 HG23 THR 33 3HG2 THR 33 -1.072 15.455 3.344 233 H SER 34 H SER 34 -1.143 10.584 1.764 234 HA SER 34 HA SER 34 -2.444 10.460 -0.878 235 HB2 SER 34 1HB SER 34 -0.191 10.539 -1.430 236 HB3 SER 34 2HB SER 34 0.301 9.667 0.022 237 HG SER 34 HG SER 34 0.486 8.305 -1.750 238 H TRP 35 H TRP 35 -1.944 8.932 2.156 239 HA TRP 35 HA TRP 35 -3.400 6.553 1.202 240 HB2 TRP 35 1HB TRP 35 -1.640 6.571 3.645 241 HB3 TRP 35 2HB TRP 35 -2.229 5.188 2.726 242 HD1 TRP 35 HD TRP 35 0.217 8.161 2.247 243 HE1 TRP 35 1HE TRP 35 2.124 7.375 0.708 244 HE3 TRP 35 3HE TRP 35 -1.488 3.461 1.178 245 HZ2 TRP 35 2HZ TRP 35 2.814 5.068 -0.765 246 HZ3 TRP 35 3HZ TRP 35 -0.145 2.029 -0.304 247 HH2 TRP 35 HH TRP 35 1.961 2.817 -1.255 248 H ARG 36 H ARG 36 -3.964 9.319 2.669 249 HA ARG 36 HA ARG 36 -5.144 8.664 5.141 250 HB2 ARG 36 1HB ARG 36 -4.535 10.976 4.249 251 HB3 ARG 36 2HB ARG 36 -6.040 10.911 3.343 252 HG2 ARG 36 1HG ARG 36 -7.034 10.348 5.725 253 HG3 ARG 36 2HG ARG 36 -5.588 11.206 6.259 254 HD2 ARG 36 1HD ARG 36 -7.229 12.867 6.096 255 HD3 ARG 36 2HD ARG 36 -6.281 13.036 4.619 256 HE ARG 36 HE ARG 36 -8.324 11.362 3.932 257 HH11 ARG 36 1HH1 ARG 36 -8.113 14.548 5.318 258 HH12 ARG 36 2HH1 ARG 36 -9.609 15.088 4.632 259 HH21 ARG 36 1HH2 ARG 36 -10.296 12.061 3.023 260 HH22 ARG 36 2HH2 ARG 36 -10.851 13.672 3.328 261 H ASP 37 H ASP 37 -6.537 9.000 1.891 262 HA ASP 37 HA ASP 37 -9.196 8.425 2.651 263 HB2 ASP 37 1HB ASP 37 -9.475 7.901 0.176 264 HB3 ASP 37 2HB ASP 37 -8.885 9.514 0.568 265 H GLY 38 H GLY 38 -6.882 6.361 0.874 266 HA2 GLY 38 1HA GLY 38 -6.683 4.094 2.119 267 HA3 GLY 38 2HA GLY 38 -8.406 4.017 1.781 268 H LEU 39 H LEU 39 -8.381 5.146 -0.803 269 HA LEU 39 HA LEU 39 -8.244 3.078 -2.490 270 HB2 LEU 39 1HB LEU 39 -7.303 5.873 -3.116 271 HB3 LEU 39 2HB LEU 39 -7.717 4.654 -4.321 272 HG LEU 39 HG LEU 39 -9.680 5.715 -2.295 273 HD11 LEU 39 1HD1 LEU 39 -10.413 7.318 -3.793 274 HD12 LEU 39 2HD1 LEU 39 -9.623 6.546 -5.167 275 HD13 LEU 39 3HD1 LEU 39 -8.660 7.407 -3.967 276 HD21 LEU 39 1HD2 LEU 39 -10.011 4.167 -4.863 277 HD22 LEU 39 2HD2 LEU 39 -11.327 4.793 -3.869 278 HD23 LEU 39 3HD2 LEU 39 -10.250 3.549 -3.229 279 H ALA 40 H ALA 40 -5.453 5.151 -1.736 280 HA ALA 40 HA ALA 40 -3.491 4.205 -3.304 281 HB1 ALA 40 1HB ALA 40 -3.535 5.684 -1.022 282 HB2 ALA 40 2HB ALA 40 -2.641 4.256 -0.500 283 HB3 ALA 40 3HB ALA 40 -2.071 5.196 -1.878 284 H PHE 41 H PHE 41 -4.286 2.671 -0.178 285 HA PHE 41 HA PHE 41 -2.653 0.406 -0.619 286 HB2 PHE 41 1HB PHE 41 -4.981 0.839 1.259 287 HB3 PHE 41 2HB PHE 41 -3.944 -0.583 1.290 288 HD1 PHE 41 1HD PHE 41 -1.312 0.143 1.242 289 HD2 PHE 41 2HD PHE 41 -4.536 2.396 2.868 290 HE1 PHE 41 1HE PHE 41 0.263 1.322 2.720 291 HE2 PHE 41 2HE PHE 41 -2.967 3.579 4.348 292 HZ PHE 41 HZ PHE 41 -0.565 3.043 4.276 293 H ASN 42 H ASN 42 -6.010 1.122 -1.328 294 HA ASN 42 HA ASN 42 -6.670 -1.581 -2.053 295 HB2 ASN 42 1HB ASN 42 -8.152 1.009 -2.562 296 HB3 ASN 42 2HB ASN 42 -8.803 -0.605 -2.830 297 HD21 ASN 42 1HD2 ASN 42 -8.690 1.915 -0.726 298 HD22 ASN 42 2HD2 ASN 42 -9.125 1.093 0.731 299 H ALA 43 H ALA 43 -4.789 0.688 -3.498 300 HA ALA 43 HA ALA 43 -5.603 0.021 -6.233 301 HB1 ALA 43 1HB ALA 43 -4.640 2.370 -5.056 302 HB2 ALA 43 2HB ALA 43 -3.339 1.786 -6.095 303 HB3 ALA 43 3HB ALA 43 -4.945 2.073 -6.769 304 H ILE 44 H ILE 44 -3.023 -0.446 -3.925 305 HA ILE 44 HA ILE 44 -1.108 -1.466 -5.772 306 HB ILE 44 HB ILE 44 -1.300 -1.853 -2.783 307 HG12 ILE 44 1HG1 ILE 44 0.505 0.015 -4.322 308 HG13 ILE 44 2HG1 ILE 44 -1.060 0.512 -3.688 309 HG21 ILE 44 1HG2 ILE 44 0.167 -3.510 -3.299 310 HG22 ILE 44 2HG2 ILE 44 0.662 -2.752 -4.812 311 HG23 ILE 44 3HG2 ILE 44 1.296 -2.155 -3.279 312 HD11 ILE 44 1HD1 ILE 44 0.911 1.101 -2.271 313 HD12 ILE 44 2HD1 ILE 44 -0.347 0.176 -1.451 314 HD13 ILE 44 3HD1 ILE 44 1.134 -0.624 -1.979 315 H VAL 45 H VAL 45 -3.178 -3.071 -3.350 316 HA VAL 45 HA VAL 45 -2.529 -5.699 -3.952 317 HB VAL 45 HB VAL 45 -5.191 -4.608 -3.028 318 HG11 VAL 45 1HG1 VAL 45 -6.005 -6.681 -2.920 319 HG12 VAL 45 2HG1 VAL 45 -4.663 -7.153 -3.965 320 HG13 VAL 45 3HG1 VAL 45 -4.517 -7.311 -2.213 321 HG21 VAL 45 1HG2 VAL 45 -2.709 -5.500 -1.599 322 HG22 VAL 45 2HG2 VAL 45 -3.619 -4.002 -1.408 323 HG23 VAL 45 3HG2 VAL 45 -4.284 -5.520 -0.805 324 H HIS 46 H HIS 46 -5.485 -4.026 -5.050 325 HA HIS 46 HA HIS 46 -6.545 -5.777 -6.775 326 HB2 HIS 46 1HB HIS 46 -7.314 -3.406 -6.359 327 HB3 HIS 46 2HB HIS 46 -6.140 -2.889 -7.566 328 HD1 HIS 46 1HD HIS 46 -6.705 -3.319 -10.026 329 HD2 HIS 46 2HD HIS 46 -9.561 -4.772 -7.382 330 HE1 HIS 46 1HE HIS 46 -8.695 -3.912 -11.445 331 HE2 HIS 46 2HE HIS 46 -10.441 -4.710 -9.813 332 H LYS 47 H LYS 47 -3.701 -3.791 -7.445 333 HA LYS 47 HA LYS 47 -3.364 -4.489 -10.140 334 HB2 LYS 47 1HB LYS 47 -2.183 -2.644 -8.867 335 HB3 LYS 47 2HB LYS 47 -1.134 -3.887 -8.197 336 HG2 LYS 47 1HG LYS 47 0.131 -3.175 -9.958 337 HG3 LYS 47 2HG LYS 47 -0.762 -4.492 -10.721 338 HD2 LYS 47 1HD LYS 47 -2.244 -3.000 -11.791 339 HD3 LYS 47 2HD LYS 47 -1.730 -1.645 -10.783 340 HE2 LYS 47 1HE LYS 47 0.562 -1.923 -11.825 341 HE3 LYS 47 2HE LYS 47 -0.198 -3.016 -12.981 342 HZ1 LYS 47 1HZ LYS 47 -1.161 -0.250 -12.539 343 HZ2 LYS 47 2HZ LYS 47 -1.528 -1.289 -13.822 344 HZ3 LYS 47 3HZ LYS 47 0.022 -0.625 -13.688 345 H HIS 48 H HIS 48 -2.128 -5.986 -7.177 346 HA HIS 48 HA HIS 48 -0.727 -8.048 -8.625 347 HB2 HIS 48 1HB HIS 48 -1.363 -8.005 -5.673 348 HB3 HIS 48 2HB HIS 48 -0.070 -8.887 -6.483 349 HD1 HIS 48 1HD HIS 48 1.403 -6.847 -8.026 350 HD2 HIS 48 2HD HIS 48 -0.200 -6.012 -4.285 351 HE1 HIS 48 1HE HIS 48 2.712 -4.883 -7.157 352 HE2 HIS 48 2HE HIS 48 1.781 -4.450 -4.856 353 H ARG 49 H ARG 49 -3.509 -8.019 -6.392 354 HA ARG 49 HA ARG 49 -4.464 -10.472 -7.718 355 HB2 ARG 49 1HB ARG 49 -4.833 -9.677 -4.823 356 HB3 ARG 49 2HB ARG 49 -5.487 -11.124 -5.580 357 HG2 ARG 49 1HG ARG 49 -2.567 -10.733 -5.788 358 HG3 ARG 49 2HG ARG 49 -3.211 -11.098 -4.186 359 HD2 ARG 49 1HD ARG 49 -2.500 -13.031 -5.790 360 HD3 ARG 49 2HD ARG 49 -3.959 -13.180 -4.812 361 HE ARG 49 HE ARG 49 -4.952 -12.161 -7.063 362 HH11 ARG 49 1HH1 ARG 49 -2.682 -14.750 -6.548 363 HH12 ARG 49 2HH1 ARG 49 -3.152 -15.619 -7.973 364 HH21 ARG 49 1HH2 ARG 49 -5.579 -13.295 -8.939 365 HH22 ARG 49 2HH2 ARG 49 -4.798 -14.789 -9.333 366 HA PRO 50 HA PRO 50 -7.662 -7.309 -8.545 367 HB2 PRO 50 1HB PRO 50 -8.474 -8.448 -10.872 368 HB3 PRO 50 2HB PRO 50 -7.085 -7.360 -10.767 369 HG2 PRO 50 1HG PRO 50 -7.146 -10.352 -10.850 370 HG3 PRO 50 2HG PRO 50 -6.067 -9.232 -11.701 371 HD2 PRO 50 1HD PRO 50 -5.324 -10.550 -9.455 372 HD3 PRO 50 2HD PRO 50 -4.722 -8.927 -9.853 373 H ASP 51 H ASP 51 -7.672 -10.446 -7.537 374 HA ASP 51 HA ASP 51 -10.512 -10.938 -7.951 375 HB2 ASP 51 1HB ASP 51 -8.200 -12.547 -6.961 376 HB3 ASP 51 2HB ASP 51 -9.821 -13.011 -6.449 377 H LEU 52 H LEU 52 -8.256 -10.540 -5.231 378 HA LEU 52 HA LEU 52 -9.842 -10.811 -3.066 379 HB2 LEU 52 1HB LEU 52 -7.905 -8.546 -3.518 380 HB3 LEU 52 2HB LEU 52 -8.514 -9.075 -1.951 381 HG LEU 52 HG LEU 52 -6.594 -10.483 -3.784 382 HD11 LEU 52 1HD1 LEU 52 -5.648 -10.619 -1.234 383 HD12 LEU 52 2HD1 LEU 52 -6.473 -9.060 -1.231 384 HD13 LEU 52 3HD1 LEU 52 -5.207 -9.385 -2.414 385 HD21 LEU 52 1HD2 LEU 52 -6.738 -12.258 -1.874 386 HD22 LEU 52 2HD2 LEU 52 -7.883 -12.303 -3.214 387 HD23 LEU 52 3HD2 LEU 52 -8.366 -11.613 -1.664 388 H LEU 53 H LEU 53 -9.450 -7.662 -4.703 389 HA LEU 53 HA LEU 53 -12.235 -7.046 -3.984 390 HB2 LEU 53 1HB LEU 53 -11.663 -4.811 -3.398 391 HB3 LEU 53 2HB LEU 53 -10.619 -5.898 -2.484 392 HG LEU 53 HG LEU 53 -9.742 -4.483 -4.995 393 HD11 LEU 53 1HD1 LEU 53 -8.515 -2.976 -3.426 394 HD12 LEU 53 2HD1 LEU 53 -9.483 -3.647 -2.114 395 HD13 LEU 53 3HD1 LEU 53 -10.266 -2.767 -3.426 396 HD21 LEU 53 1HD2 LEU 53 -8.586 -6.473 -3.246 397 HD22 LEU 53 2HD2 LEU 53 -7.588 -5.022 -3.323 398 HD23 LEU 53 3HD2 LEU 53 -8.019 -5.876 -4.806 399 H ASP 54 H ASP 54 -13.117 -5.199 -5.288 400 HA ASP 54 HA ASP 54 -12.346 -5.581 -8.078 401 HB2 ASP 54 1HB ASP 54 -14.779 -4.377 -6.760 402 HB3 ASP 54 2HB ASP 54 -14.494 -4.274 -8.495 403 H PHE 55 H PHE 55 -12.719 -3.012 -5.684 404 HA PHE 55 HA PHE 55 -11.882 -0.900 -5.575 405 HB2 PHE 55 1HB PHE 55 -9.749 -2.046 -6.163 406 HB3 PHE 55 2HB PHE 55 -10.097 -1.751 -7.863 407 HD1 PHE 55 1HD PHE 55 -9.486 -0.055 -4.627 408 HD2 PHE 55 2HD PHE 55 -9.515 0.273 -8.871 409 HE1 PHE 55 1HE PHE 55 -8.397 2.146 -4.461 410 HE2 PHE 55 2HE PHE 55 -8.426 2.473 -8.712 411 HZ PHE 55 HZ PHE 55 -7.864 3.412 -6.505 412 H GLU 56 H GLU 56 -14.204 -1.369 -7.115 413 HA GLU 56 HA GLU 56 -13.935 0.706 -9.190 414 HB2 GLU 56 1HB GLU 56 -15.901 -1.590 -9.117 415 HB3 GLU 56 2HB GLU 56 -15.813 -0.353 -10.364 416 HG2 GLU 56 1HG GLU 56 -13.392 -1.158 -10.691 417 HG3 GLU 56 2HG GLU 56 -13.904 -2.582 -9.787 418 H SER 57 H SER 57 -16.110 -0.708 -6.773 419 HA SER 57 HA SER 57 -18.015 1.414 -6.929 420 HB2 SER 57 1HB SER 57 -17.634 -0.589 -4.691 421 HB3 SER 57 2HB SER 57 -19.086 0.354 -5.033 422 HG SER 57 HG SER 57 -18.898 -1.945 -5.832 423 H LEU 58 H LEU 58 -15.260 0.680 -4.867 424 HA LEU 58 HA LEU 58 -15.528 2.354 -2.758 425 HB2 LEU 58 1HB LEU 58 -13.030 2.063 -4.420 426 HB3 LEU 58 2HB LEU 58 -13.100 2.631 -2.753 427 HG LEU 58 HG LEU 58 -13.799 -0.148 -3.702 428 HD11 LEU 58 1HD1 LEU 58 -11.682 -0.732 -3.363 429 HD12 LEU 58 2HD1 LEU 58 -11.624 0.109 -1.815 430 HD13 LEU 58 3HD1 LEU 58 -11.299 0.989 -3.308 431 HD21 LEU 58 1HD2 LEU 58 -15.060 -0.069 -1.828 432 HD22 LEU 58 2HD2 LEU 58 -14.155 1.281 -1.142 433 HD23 LEU 58 3HD2 LEU 58 -13.506 -0.356 -1.045 434 H LYS 59 H LYS 59 -15.803 4.460 -2.428 435 HA LYS 59 HA LYS 59 -15.152 6.316 -4.624 436 HB2 LYS 59 1HB LYS 59 -17.052 7.710 -3.844 437 HB3 LYS 59 2HB LYS 59 -17.554 6.131 -4.435 438 HG2 LYS 59 1HG LYS 59 -17.054 6.475 -1.523 439 HG3 LYS 59 2HG LYS 59 -18.537 7.127 -2.221 440 HD2 LYS 59 1HD LYS 59 -17.750 4.327 -2.872 441 HD3 LYS 59 2HD LYS 59 -18.442 4.669 -1.285 442 HE2 LYS 59 1HE LYS 59 -19.806 5.748 -3.701 443 HE3 LYS 59 2HE LYS 59 -19.964 4.029 -3.342 444 HZ1 LYS 59 1HZ LYS 59 -21.676 5.666 -2.379 445 HZ2 LYS 59 2HZ LYS 59 -20.475 6.038 -1.247 446 HZ3 LYS 59 3HZ LYS 59 -21.059 4.456 -1.371 447 H LYS 60 H LYS 60 -13.932 8.047 -4.141 448 HA LYS 60 HA LYS 60 -12.235 8.275 -2.097 449 HB2 LYS 60 1HB LYS 60 -13.715 10.579 -3.377 450 HB3 LYS 60 2HB LYS 60 -12.260 10.749 -2.404 451 HG2 LYS 60 1HG LYS 60 -10.939 9.625 -4.003 452 HG3 LYS 60 2HG LYS 60 -12.359 9.049 -4.878 453 HD2 LYS 60 1HD LYS 60 -12.839 11.638 -5.096 454 HD3 LYS 60 2HD LYS 60 -11.092 11.744 -4.862 455 HE2 LYS 60 1HE LYS 60 -10.705 10.313 -6.760 456 HE3 LYS 60 2HE LYS 60 -12.433 10.023 -6.943 457 HZ1 LYS 60 1HZ LYS 60 -12.777 12.066 -7.848 458 HZ2 LYS 60 2HZ LYS 60 -11.192 11.811 -8.378 459 HZ3 LYS 60 3HZ LYS 60 -11.484 12.790 -7.031 460 H CYS 61 H CYS 61 -15.612 9.272 -1.982 461 HA CYS 61 HA CYS 61 -15.715 10.665 0.378 462 HB2 CYS 61 1HB CYS 61 -17.635 8.850 -1.013 463 HB3 CYS 61 2HB CYS 61 -18.029 9.400 0.611 464 HG CYS 61 HG CYS 61 -17.832 11.192 -2.259 465 H ASN 62 H ASN 62 -16.119 7.137 0.041 466 HA ASN 62 HA ASN 62 -16.032 6.714 2.872 467 HB2 ASN 62 1HB ASN 62 -16.205 4.979 0.451 468 HB3 ASN 62 2HB ASN 62 -15.678 4.242 1.961 469 HD21 ASN 62 1HD2 ASN 62 -17.101 4.864 3.881 470 HD22 ASN 62 2HD2 ASN 62 -18.806 4.790 3.608 471 H ALA 63 H ALA 63 -14.236 6.885 4.030 472 HA ALA 63 HA ALA 63 -11.675 6.121 2.791 473 HB1 ALA 63 1HB ALA 63 -12.101 8.520 3.656 474 HB2 ALA 63 2HB ALA 63 -11.875 7.808 5.255 475 HB3 ALA 63 3HB ALA 63 -10.580 7.722 4.062 476 H HIS 64 H HIS 64 -13.302 6.160 5.968 477 HA HIS 64 HA HIS 64 -11.577 4.441 7.301 478 HB2 HIS 64 1HB HIS 64 -13.231 5.667 8.535 479 HB3 HIS 64 2HB HIS 64 -14.543 4.892 7.654 480 HD1 HIS 64 1HD HIS 64 -11.607 3.530 9.674 481 HD2 HIS 64 2HD HIS 64 -15.724 3.114 9.296 482 HE1 HIS 64 1HE HIS 64 -12.260 1.760 11.336 483 HE2 HIS 64 2HE HIS 64 -14.742 1.465 11.030 484 H TYR 65 H TYR 65 -14.586 3.633 5.575 485 HA TYR 65 HA TYR 65 -14.483 0.867 5.983 486 HB2 TYR 65 1HB TYR 65 -16.517 1.856 5.200 487 HB3 TYR 65 2HB TYR 65 -15.724 2.507 3.770 488 HD1 TYR 65 2HD TYR 65 -14.764 0.799 2.091 489 HD2 TYR 65 1HD TYR 65 -17.596 -0.208 5.103 490 HE1 TYR 65 2HE TYR 65 -15.386 -1.216 0.824 491 HE2 TYR 65 1HE TYR 65 -18.226 -2.225 3.845 492 HH TYR 65 HH TYR 65 -16.806 -2.932 0.675 493 H ASN 66 H ASN 66 -13.160 2.870 3.379 494 HA ASN 66 HA ASN 66 -12.223 0.764 1.763 495 HB2 ASN 66 1HB ASN 66 -11.354 3.643 2.031 496 HB3 ASN 66 2HB ASN 66 -10.663 2.545 0.841 497 HD21 ASN 66 1HD2 ASN 66 -11.506 4.191 -0.641 498 HD22 ASN 66 2HD2 ASN 66 -13.146 4.060 -1.169 499 H LEU 67 H LEU 67 -10.705 2.589 4.383 500 HA LEU 67 HA LEU 67 -8.128 1.479 4.138 501 HB2 LEU 67 1HB LEU 67 -9.563 2.639 6.519 502 HB3 LEU 67 2HB LEU 67 -7.856 2.203 6.514 503 HG LEU 67 HG LEU 67 -8.983 4.202 4.574 504 HD11 LEU 67 1HD1 LEU 67 -8.478 4.502 7.455 505 HD12 LEU 67 2HD1 LEU 67 -9.485 5.458 6.368 506 HD13 LEU 67 3HD1 LEU 67 -7.744 5.731 6.424 507 HD21 LEU 67 1HD2 LEU 67 -6.224 4.215 5.692 508 HD22 LEU 67 2HD2 LEU 67 -6.806 4.737 4.110 509 HD23 LEU 67 3HD2 LEU 67 -6.638 3.017 4.466 510 H GLN 68 H GLN 68 -10.517 0.781 6.696 511 HA GLN 68 HA GLN 68 -9.344 -1.433 7.789 512 HB2 GLN 68 1HB GLN 68 -11.438 -1.990 8.725 513 HB3 GLN 68 2HB GLN 68 -11.468 -0.242 8.528 514 HG2 GLN 68 1HG GLN 68 -12.693 -0.616 6.366 515 HG3 GLN 68 2HG GLN 68 -12.838 -2.309 6.835 516 HE21 GLN 68 1HE2 GLN 68 -15.121 -1.998 6.771 517 HE22 GLN 68 2HE2 GLN 68 -15.940 -1.255 8.097 518 H ASN 69 H ASN 69 -11.547 -1.357 5.007 519 HA ASN 69 HA ASN 69 -11.830 -4.055 4.533 520 HB2 ASN 69 1HB ASN 69 -12.977 -2.215 3.284 521 HB3 ASN 69 2HB ASN 69 -11.482 -1.945 2.393 522 HD21 ASN 69 1HD2 ASN 69 -10.774 -3.508 0.922 523 HD22 ASN 69 2HD2 ASN 69 -11.845 -4.707 0.289 524 H ALA 70 H ALA 70 -9.348 -1.928 3.102 525 HA ALA 70 HA ALA 70 -7.906 -3.960 1.815 526 HB1 ALA 70 1HB ALA 70 -6.678 -2.263 1.063 527 HB2 ALA 70 2HB ALA 70 -7.737 -1.203 1.994 528 HB3 ALA 70 3HB ALA 70 -6.222 -1.773 2.694 529 H PHE 71 H PHE 71 -7.365 -2.408 4.971 530 HA PHE 71 HA PHE 71 -5.065 -3.732 5.732 531 HB2 PHE 71 1HB PHE 71 -7.387 -2.668 7.322 532 HB3 PHE 71 2HB PHE 71 -6.016 -3.438 8.114 533 HD1 PHE 71 2HD PHE 71 -3.674 -2.511 6.950 534 HD2 PHE 71 1HD PHE 71 -7.331 -0.389 7.440 535 HE1 PHE 71 2HE PHE 71 -2.443 -0.381 6.888 536 HE2 PHE 71 1HE PHE 71 -6.106 1.743 7.379 537 HZ PHE 71 HZ PHE 71 -3.658 1.750 7.103 538 H ASN 72 H ASN 72 -8.434 -4.758 6.157 539 HA ASN 72 HA ASN 72 -7.891 -7.131 7.565 540 HB2 ASN 72 1HB ASN 72 -10.220 -6.351 5.803 541 HB3 ASN 72 2HB ASN 72 -10.177 -7.830 6.760 542 HD21 ASN 72 1HD2 ASN 72 -11.365 -4.827 6.716 543 HD22 ASN 72 2HD2 ASN 72 -11.486 -4.512 8.411 544 H LEU 73 H LEU 73 -8.337 -6.517 4.098 545 HA LEU 73 HA LEU 73 -8.106 -9.182 3.241 546 HB2 LEU 73 1HB LEU 73 -7.753 -6.518 1.949 547 HB3 LEU 73 2HB LEU 73 -7.245 -7.965 1.081 548 HG LEU 73 HG LEU 73 -10.037 -7.508 2.127 549 HD11 LEU 73 1HD1 LEU 73 -8.900 -7.085 -0.631 550 HD12 LEU 73 2HD1 LEU 73 -9.570 -5.855 0.440 551 HD13 LEU 73 3HD1 LEU 73 -10.619 -7.099 -0.238 552 HD21 LEU 73 1HD2 LEU 73 -9.486 -9.847 1.878 553 HD22 LEU 73 2HD2 LEU 73 -8.863 -9.560 0.253 554 HD23 LEU 73 3HD2 LEU 73 -10.584 -9.358 0.587 555 H ALA 74 H ALA 74 -5.670 -6.633 3.618 556 HA ALA 74 HA ALA 74 -3.498 -8.212 2.681 557 HB1 ALA 74 1HB ALA 74 -3.860 -5.550 3.851 558 HB2 ALA 74 2HB ALA 74 -2.314 -6.311 4.226 559 HB3 ALA 74 3HB ALA 74 -2.800 -6.085 2.546 560 H GLU 75 H GLU 75 -5.106 -7.895 5.729 561 HA GLU 75 HA GLU 75 -2.939 -9.189 7.182 562 HB2 GLU 75 1HB GLU 75 -4.304 -7.290 8.148 563 HB3 GLU 75 2HB GLU 75 -5.657 -8.410 8.237 564 HG2 GLU 75 1HG GLU 75 -3.891 -9.881 9.536 565 HG3 GLU 75 2HG GLU 75 -3.168 -8.304 9.847 566 H LYS 76 H LYS 76 -5.752 -10.031 5.478 567 HA LYS 76 HA LYS 76 -5.924 -12.631 6.843 568 HB2 LYS 76 1HB LYS 76 -7.998 -11.191 6.620 569 HB3 LYS 76 2HB LYS 76 -7.911 -11.476 4.886 570 HG2 LYS 76 1HG LYS 76 -9.373 -13.113 5.491 571 HG3 LYS 76 2HG LYS 76 -7.851 -13.996 5.633 572 HD2 LYS 76 1HD LYS 76 -8.894 -14.522 7.626 573 HD3 LYS 76 2HD LYS 76 -7.901 -13.139 8.094 574 HE2 LYS 76 1HE LYS 76 -9.911 -12.542 9.018 575 HE3 LYS 76 2HE LYS 76 -10.050 -11.782 7.434 576 HZ1 LYS 76 1HZ LYS 76 -11.848 -13.491 8.525 577 HZ2 LYS 76 2HZ LYS 76 -10.984 -14.497 7.476 578 HZ3 LYS 76 3HZ LYS 76 -11.739 -13.105 6.881 579 H GLU 77 H GLU 77 -6.355 -11.375 3.528 580 HA GLU 77 HA GLU 77 -5.837 -13.823 2.256 581 HB2 GLU 77 1HB GLU 77 -5.422 -11.049 1.129 582 HB3 GLU 77 2HB GLU 77 -5.633 -12.531 0.207 583 HG2 GLU 77 1HG GLU 77 -7.686 -11.236 1.986 584 HG3 GLU 77 2HG GLU 77 -7.671 -11.224 0.223 585 H LEU 78 H LEU 78 -3.722 -10.948 2.327 586 HA LEU 78 HA LEU 78 -1.437 -12.366 1.437 587 HB2 LEU 78 1HB LEU 78 -1.397 -9.791 2.985 588 HB3 LEU 78 2HB LEU 78 -0.227 -10.367 1.801 589 HG LEU 78 HG LEU 78 -3.053 -9.533 1.154 590 HD11 LEU 78 1HD1 LEU 78 -0.490 -8.026 0.668 591 HD12 LEU 78 2HD1 LEU 78 -1.626 -7.671 1.969 592 HD13 LEU 78 3HD1 LEU 78 -2.130 -7.498 0.289 593 HD21 LEU 78 1HD2 LEU 78 -0.821 -10.704 -0.385 594 HD22 LEU 78 2HD2 LEU 78 -1.693 -9.375 -1.151 595 HD23 LEU 78 3HD2 LEU 78 -2.563 -10.822 -0.637 596 H GLY 79 H GLY 79 -2.492 -11.271 4.647 597 HA2 GLY 79 1HA GLY 79 -2.107 -12.459 6.648 598 HA3 GLY 79 2HA GLY 79 -0.834 -13.362 5.840 599 H LEU 80 H LEU 80 -1.291 -9.853 6.059 600 HA LEU 80 HA LEU 80 1.404 -9.661 7.200 601 HB2 LEU 80 1HB LEU 80 -0.337 -7.656 5.783 602 HB3 LEU 80 2HB LEU 80 1.185 -7.236 6.565 603 HG LEU 80 HG LEU 80 1.047 -9.308 4.395 604 HD11 LEU 80 1HD1 LEU 80 0.086 -7.364 3.397 605 HD12 LEU 80 2HD1 LEU 80 1.758 -7.484 2.849 606 HD13 LEU 80 3HD1 LEU 80 1.321 -6.323 4.104 607 HD21 LEU 80 1HD2 LEU 80 3.425 -7.836 4.346 608 HD22 LEU 80 2HD2 LEU 80 3.200 -9.494 4.905 609 HD23 LEU 80 3HD2 LEU 80 3.096 -8.154 6.049 610 H THR 81 H THR 81 1.822 -8.523 9.072 611 HA THR 81 HA THR 81 -0.294 -8.433 10.989 612 HB THR 81 HB THR 81 2.524 -7.364 11.240 613 HG1 THR 81 1HG THR 81 2.047 -9.751 10.794 614 HG21 THR 81 1HG2 THR 81 1.400 -8.322 13.682 615 HG22 THR 81 2HG2 THR 81 0.286 -7.159 12.963 616 HG23 THR 81 3HG2 THR 81 1.957 -6.697 13.286 617 H LYS 82 H LYS 82 -1.707 -6.842 11.227 618 HA LYS 82 HA LYS 82 -1.579 -4.384 9.881 619 HB2 LYS 82 1HB LYS 82 -3.272 -5.476 12.096 620 HB3 LYS 82 2HB LYS 82 -3.378 -3.767 11.694 621 HG2 LYS 82 1HG LYS 82 -3.861 -4.436 9.335 622 HG3 LYS 82 2HG LYS 82 -3.956 -6.107 9.895 623 HD2 LYS 82 1HD LYS 82 -5.649 -5.120 11.628 624 HD3 LYS 82 2HD LYS 82 -5.780 -3.807 10.454 625 HE2 LYS 82 1HE LYS 82 -6.563 -5.260 8.770 626 HE3 LYS 82 2HE LYS 82 -6.081 -6.694 9.673 627 HZ1 LYS 82 1HZ LYS 82 -7.867 -5.215 11.244 628 HZ2 LYS 82 2HZ LYS 82 -8.083 -6.755 10.580 629 HZ3 LYS 82 3HZ LYS 82 -8.549 -5.385 9.705 630 H LEU 83 H LEU 83 0.162 -3.111 10.252 631 HA LEU 83 HA LEU 83 1.145 -2.631 12.921 632 HB2 LEU 83 1HB LEU 83 1.914 -1.160 10.413 633 HB3 LEU 83 2HB LEU 83 2.845 -1.327 11.899 634 HG LEU 83 HG LEU 83 2.211 -3.616 10.042 635 HD11 LEU 83 1HD1 LEU 83 4.843 -3.253 9.743 636 HD12 LEU 83 2HD1 LEU 83 4.351 -1.578 9.994 637 HD13 LEU 83 3HD1 LEU 83 3.642 -2.517 8.680 638 HD21 LEU 83 1HD2 LEU 83 3.301 -3.444 12.684 639 HD22 LEU 83 2HD2 LEU 83 4.532 -4.045 11.573 640 HD23 LEU 83 3HD2 LEU 83 2.979 -4.872 11.701 641 H LEU 84 H LEU 84 -0.915 -1.026 10.608 642 HA LEU 84 HA LEU 84 -1.260 1.195 12.516 643 HB2 LEU 84 1HB LEU 84 -1.766 1.313 9.551 644 HB3 LEU 84 2HB LEU 84 -1.768 2.654 10.695 645 HG LEU 84 HG LEU 84 0.708 1.051 10.094 646 HD11 LEU 84 1HD1 LEU 84 1.252 2.371 8.313 647 HD12 LEU 84 2HD1 LEU 84 0.237 3.710 8.848 648 HD13 LEU 84 3HD1 LEU 84 -0.497 2.288 8.104 649 HD21 LEU 84 1HD2 LEU 84 0.206 3.769 11.300 650 HD22 LEU 84 2HD2 LEU 84 1.800 3.133 10.894 651 HD23 LEU 84 3HD2 LEU 84 0.818 2.335 12.124 652 H ASP 85 H ASP 85 -3.501 2.353 11.785 653 HA ASP 85 HA ASP 85 -5.546 0.254 11.562 654 HB2 ASP 85 1HB ASP 85 -5.207 2.294 13.719 655 HB3 ASP 85 2HB ASP 85 -6.840 1.845 13.235 656 HA PRO 86 HA PRO 86 -7.555 2.856 8.660 657 HB2 PRO 86 1HB PRO 86 -10.173 2.347 9.169 658 HB3 PRO 86 2HB PRO 86 -9.102 1.179 8.386 659 HG2 PRO 86 1HG PRO 86 -9.969 1.334 11.248 660 HG3 PRO 86 2HG PRO 86 -9.830 -0.087 10.197 661 HD2 PRO 86 1HD PRO 86 -7.945 0.558 12.030 662 HD3 PRO 86 2HD PRO 86 -7.550 -0.243 10.495 663 H GLU 87 H GLU 87 -7.598 3.527 11.905 664 HA GLU 87 HA GLU 87 -9.241 5.944 11.544 665 HB2 GLU 87 1HB GLU 87 -8.593 4.310 13.988 666 HB3 GLU 87 2HB GLU 87 -9.198 5.955 14.112 667 HG2 GLU 87 1HG GLU 87 -11.161 5.227 12.725 668 HG3 GLU 87 2HG GLU 87 -10.583 3.572 12.918 669 H ASP 88 H ASP 88 -6.216 4.722 12.919 670 HA ASP 88 HA ASP 88 -5.197 7.214 13.754 671 HB2 ASP 88 1HB ASP 88 -4.033 4.516 13.224 672 HB3 ASP 88 2HB ASP 88 -2.932 5.882 13.385 673 H VAL 89 H VAL 89 -4.736 5.363 10.759 674 HA VAL 89 HA VAL 89 -2.951 7.177 9.541 675 HB VAL 89 HB VAL 89 -4.833 5.176 8.289 676 HG11 VAL 89 1HG1 VAL 89 -4.270 6.861 6.654 677 HG12 VAL 89 2HG1 VAL 89 -2.558 6.725 7.059 678 HG13 VAL 89 3HG1 VAL 89 -3.394 5.375 6.292 679 HG21 VAL 89 1HG2 VAL 89 -3.126 3.632 8.377 680 HG22 VAL 89 2HG2 VAL 89 -1.870 4.865 8.478 681 HG23 VAL 89 3HG2 VAL 89 -2.871 4.510 9.885 682 H ASN 90 H ASN 90 -6.465 6.741 9.158 683 HA ASN 90 HA ASN 90 -6.849 8.834 7.327 684 HB2 ASN 90 1HB ASN 90 -8.523 7.075 7.737 685 HB3 ASN 90 2HB ASN 90 -8.801 7.718 9.353 686 HD21 ASN 90 1HD2 ASN 90 -10.050 7.603 6.375 687 HD22 ASN 90 2HD2 ASN 90 -10.932 9.089 6.347 688 H VAL 91 H VAL 91 -5.639 10.616 8.064 689 HA VAL 91 HA VAL 91 -7.094 12.318 9.902 690 HB VAL 91 HB VAL 91 -5.602 11.127 11.431 691 HG11 VAL 91 1HG1 VAL 91 -3.088 11.734 11.137 692 HG12 VAL 91 2HG1 VAL 91 -3.778 10.392 10.221 693 HG13 VAL 91 3HG1 VAL 91 -3.530 11.957 9.445 694 HG21 VAL 91 1HG2 VAL 91 -6.146 13.570 11.712 695 HG22 VAL 91 2HG2 VAL 91 -4.687 13.021 12.536 696 HG23 VAL 91 3HG2 VAL 91 -4.561 13.923 11.026 697 H ASP 92 H ASP 92 -6.130 14.534 9.980 698 HA ASP 92 HA ASP 92 -5.828 15.619 7.464 699 HB2 ASP 92 1HB ASP 92 -5.110 16.596 10.206 700 HB3 ASP 92 2HB ASP 92 -4.664 17.553 8.795 701 H GLN 93 H GLN 93 -3.226 15.014 9.826 702 HA GLN 93 HA GLN 93 -1.371 14.686 7.573 703 HB2 GLN 93 1HB GLN 93 -0.888 16.350 10.049 704 HB3 GLN 93 2HB GLN 93 0.370 15.890 8.909 705 HG2 GLN 93 1HG GLN 93 -2.077 17.379 8.030 706 HG3 GLN 93 2HG GLN 93 -0.668 18.210 8.686 707 HE21 GLN 93 1HE2 GLN 93 -1.120 19.050 6.340 708 HE22 GLN 93 2HE2 GLN 93 -0.141 18.316 5.120 709 HA PRO 94 HA PRO 94 -1.068 11.091 10.424 710 HB2 PRO 94 1HB PRO 94 -0.667 9.284 8.438 711 HB3 PRO 94 2HB PRO 94 -2.276 9.813 8.944 712 HG2 PRO 94 1HG PRO 94 -0.630 10.721 6.614 713 HG3 PRO 94 2HG PRO 94 -2.365 10.356 6.685 714 HD2 PRO 94 1HD PRO 94 -1.405 12.887 6.755 715 HD3 PRO 94 2HD PRO 94 -2.887 12.404 7.606 716 H ASP 95 H ASP 95 0.751 9.927 11.053 717 HA ASP 95 HA ASP 95 3.259 11.097 10.506 718 HB2 ASP 95 1HB ASP 95 4.019 8.817 11.657 719 HB3 ASP 95 2HB ASP 95 3.284 10.126 12.580 720 H GLU 96 H GLU 96 3.786 11.025 8.351 721 HA GLU 96 HA GLU 96 3.504 8.904 6.598 722 HB2 GLU 96 1HB GLU 96 5.461 9.956 5.367 723 HB3 GLU 96 2HB GLU 96 4.089 11.006 5.689 724 HG2 GLU 96 1HG GLU 96 5.245 12.034 7.532 725 HG3 GLU 96 2HG GLU 96 6.592 10.910 7.355 726 H LYS 97 H LYS 97 5.821 9.378 9.130 727 HA LYS 97 HA LYS 97 7.766 7.514 8.218 728 HB2 LYS 97 1HB LYS 97 7.179 8.629 10.964 729 HB3 LYS 97 2HB LYS 97 8.547 7.583 10.611 730 HG2 LYS 97 1HG LYS 97 8.095 10.161 9.143 731 HG3 LYS 97 2HG LYS 97 8.976 10.084 10.670 732 HD2 LYS 97 1HD LYS 97 10.755 8.984 9.746 733 HD3 LYS 97 2HD LYS 97 9.766 8.198 8.513 734 HE2 LYS 97 1HE LYS 97 9.719 10.126 7.171 735 HE3 LYS 97 2HE LYS 97 10.271 11.159 8.489 736 HZ1 LYS 97 1HZ LYS 97 11.987 8.990 7.466 737 HZ2 LYS 97 2HZ LYS 97 12.432 10.400 8.286 738 HZ3 LYS 97 3HZ LYS 97 11.931 10.483 6.672 739 H SER 98 H SER 98 4.798 7.252 10.023 740 HA SER 98 HA SER 98 5.332 4.533 10.864 741 HB2 SER 98 1HB SER 98 2.940 6.353 11.159 742 HB3 SER 98 2HB SER 98 2.930 4.674 11.695 743 HG SER 98 HG SER 98 3.933 6.820 12.937 744 H ILE 99 H ILE 99 4.277 6.014 8.062 745 HA ILE 99 HA ILE 99 2.586 3.761 7.252 746 HB ILE 99 HB ILE 99 3.112 6.390 5.860 747 HG12 ILE 99 1HG1 ILE 99 0.581 5.414 7.191 748 HG13 ILE 99 2HG1 ILE 99 1.757 6.454 7.987 749 HG21 ILE 99 1HG2 ILE 99 0.970 4.421 5.138 750 HG22 ILE 99 2HG2 ILE 99 1.607 5.764 4.192 751 HG23 ILE 99 3HG2 ILE 99 2.586 4.318 4.440 752 HD11 ILE 99 1HD1 ILE 99 1.409 8.088 6.109 753 HD12 ILE 99 2HD1 ILE 99 0.050 7.084 5.602 754 HD13 ILE 99 3HD1 ILE 99 0.035 7.851 7.190 755 H ILE 100 H ILE 100 5.354 5.644 6.031 756 HA ILE 100 HA ILE 100 6.007 4.234 3.790 757 HB ILE 100 HB ILE 100 7.931 5.341 5.839 758 HG12 ILE 100 1HG1 ILE 100 7.256 6.632 3.223 759 HG13 ILE 100 2HG1 ILE 100 6.143 6.801 4.575 760 HG21 ILE 100 1HG2 ILE 100 8.874 3.639 4.220 761 HG22 ILE 100 2HG2 ILE 100 8.512 4.796 2.940 762 HG23 ILE 100 3HG2 ILE 100 9.646 5.225 4.220 763 HD11 ILE 100 1HD1 ILE 100 7.738 8.674 4.345 764 HD12 ILE 100 2HD1 ILE 100 7.834 7.854 5.904 765 HD13 ILE 100 3HD1 ILE 100 9.055 7.546 4.669 766 H THR 101 H THR 101 6.607 3.312 7.130 767 HA THR 101 HA THR 101 8.262 1.073 6.527 768 HB THR 101 HB THR 101 6.625 1.510 9.030 769 HG1 THR 101 1HG THR 101 8.870 2.314 9.689 770 HG21 THR 101 1HG2 THR 101 9.249 0.255 9.245 771 HG22 THR 101 2HG2 THR 101 8.120 -0.672 8.257 772 HG23 THR 101 3HG2 THR 101 7.699 -0.246 9.916 773 H TYR 102 H TYR 102 4.809 1.476 7.193 774 HA TYR 102 HA TYR 102 4.167 -1.278 7.191 775 HB2 TYR 102 1HB TYR 102 2.631 0.274 8.188 776 HB3 TYR 102 2HB TYR 102 2.484 1.181 6.686 777 HD1 TYR 102 2HD TYR 102 1.191 0.261 4.804 778 HD2 TYR 102 1HD TYR 102 1.381 -1.744 8.552 779 HE1 TYR 102 2HE TYR 102 -0.753 -1.104 4.166 780 HE2 TYR 102 1HE TYR 102 -0.562 -3.114 7.924 781 HH TYR 102 HH TYR 102 -2.419 -2.461 5.048 782 H VAL 103 H VAL 103 3.605 1.203 4.686 783 HA VAL 103 HA VAL 103 2.675 -0.448 2.676 784 HB VAL 103 HB VAL 103 2.635 1.982 2.483 785 HG11 VAL 103 1HG1 VAL 103 5.614 1.667 2.430 786 HG12 VAL 103 2HG1 VAL 103 4.835 3.065 1.685 787 HG13 VAL 103 3HG1 VAL 103 4.627 2.751 3.408 788 HG21 VAL 103 1HG2 VAL 103 2.371 1.514 0.324 789 HG22 VAL 103 2HG2 VAL 103 4.095 1.813 0.110 790 HG23 VAL 103 3HG2 VAL 103 3.516 0.176 0.415 791 H ALA 104 H ALA 104 5.957 0.086 3.760 792 HA ALA 104 HA ALA 104 7.413 -0.876 1.609 793 HB1 ALA 104 1HB ALA 104 8.463 -1.771 4.175 794 HB2 ALA 104 2HB ALA 104 9.160 -0.671 2.984 795 HB3 ALA 104 3HB ALA 104 7.998 -0.070 4.167 796 H THR 105 H THR 105 5.497 -2.606 3.947 797 HA THR 105 HA THR 105 6.579 -5.187 3.512 798 HB THR 105 HB THR 105 4.670 -6.053 4.668 799 HG1 THR 105 1HG THR 105 3.488 -3.541 4.048 800 HG21 THR 105 1HG2 THR 105 6.062 -5.059 6.248 801 HG22 THR 105 2HG2 THR 105 4.492 -4.333 6.599 802 HG23 THR 105 3HG2 THR 105 5.698 -3.428 5.685 803 H TYR 106 H TYR 106 3.885 -3.421 2.049 804 HA TYR 106 HA TYR 106 2.808 -5.484 0.513 805 HB2 TYR 106 1HB TYR 106 2.846 -2.500 0.239 806 HB3 TYR 106 2HB TYR 106 2.171 -3.486 -1.053 807 HD1 TYR 106 1HD TYR 106 1.970 -4.139 2.596 808 HD2 TYR 106 2HD TYR 106 -0.114 -2.943 -0.916 809 HE1 TYR 106 1HE TYR 106 -0.159 -4.275 3.820 810 HE2 TYR 106 2HE TYR 106 -2.248 -3.075 0.299 811 HH TYR 106 HH TYR 106 -3.195 -4.143 2.244 812 H TYR 107 H TYR 107 5.527 -3.339 -0.108 813 HA TYR 107 HA TYR 107 5.907 -4.235 -2.808 814 HB2 TYR 107 1HB TYR 107 6.707 -2.070 -2.449 815 HB3 TYR 107 2HB TYR 107 7.461 -2.497 -0.917 816 HD1 TYR 107 2HD TYR 107 7.724 -3.710 -4.451 817 HD2 TYR 107 1HD TYR 107 9.754 -2.353 -0.967 818 HE1 TYR 107 2HE TYR 107 9.878 -4.004 -5.599 819 HE2 TYR 107 1HE TYR 107 11.914 -2.642 -2.105 820 HH TYR 107 HH TYR 107 12.929 -3.093 -4.042 821 H HIS 108 H HIS 108 7.946 -4.552 0.106 822 HA HIS 108 HA HIS 108 9.768 -6.373 -0.852 823 HB2 HIS 108 1HB HIS 108 8.660 -5.860 1.885 824 HB3 HIS 108 2HB HIS 108 9.779 -7.197 1.635 825 HD1 HIS 108 1HD HIS 108 12.142 -6.419 0.469 826 HD2 HIS 108 2HD HIS 108 9.877 -3.485 2.346 827 HE1 HIS 108 1HE HIS 108 13.725 -4.509 0.880 828 HE2 HIS 108 2HE HIS 108 12.353 -2.779 2.093 829 H TYR 109 H TYR 109 6.920 -7.252 1.115 830 HA TYR 109 HA TYR 109 6.971 -9.933 1.041 831 HB2 TYR 109 1HB TYR 109 5.140 -8.917 2.135 832 HB3 TYR 109 2HB TYR 109 4.618 -8.089 0.672 833 HD1 TYR 109 2HD TYR 109 4.653 -11.289 2.467 834 HD2 TYR 109 1HD TYR 109 3.294 -9.228 -0.998 835 HE1 TYR 109 2HE TYR 109 3.090 -13.129 1.991 836 HE2 TYR 109 1HE TYR 109 1.727 -11.060 -1.482 837 HH TYR 109 HH TYR 109 1.871 -13.885 -0.598 838 H PHE 110 H PHE 110 5.004 -8.265 -1.413 839 HA PHE 110 HA PHE 110 4.723 -10.371 -3.159 840 HB2 PHE 110 1HB PHE 110 4.632 -7.411 -3.450 841 HB3 PHE 110 2HB PHE 110 4.710 -8.365 -4.928 842 HD1 PHE 110 2HD PHE 110 3.001 -10.365 -5.033 843 HD2 PHE 110 1HD PHE 110 2.574 -6.930 -2.557 844 HE1 PHE 110 2HE PHE 110 0.577 -10.764 -4.904 845 HE2 PHE 110 1HE PHE 110 0.149 -7.323 -2.423 846 HZ PHE 110 HZ PHE 110 -0.853 -9.242 -3.599 847 H SER 111 H SER 111 7.363 -8.034 -2.967 848 HA SER 111 HA SER 111 8.734 -8.685 -5.291 849 HB2 SER 111 1HB SER 111 9.243 -6.795 -3.676 850 HB3 SER 111 2HB SER 111 10.073 -7.985 -2.674 851 HG SER 111 HG SER 111 11.589 -7.065 -4.008 852 H LYS 112 H LYS 112 9.149 -10.054 -2.031 853 HA LYS 112 HA LYS 112 11.176 -11.825 -2.437 854 HB2 LYS 112 1HB LYS 112 8.645 -12.207 -0.837 855 HB3 LYS 112 2HB LYS 112 10.017 -13.304 -0.751 856 HG2 LYS 112 1HG LYS 112 11.315 -11.048 -0.258 857 HG3 LYS 112 2HG LYS 112 9.716 -10.550 0.300 858 HD2 LYS 112 1HD LYS 112 10.608 -11.439 2.229 859 HD3 LYS 112 2HD LYS 112 9.771 -12.842 1.562 860 HE2 LYS 112 1HE LYS 112 11.939 -13.509 0.494 861 HE3 LYS 112 2HE LYS 112 12.713 -12.210 1.401 862 HZ1 LYS 112 1HZ LYS 112 12.978 -13.735 2.983 863 HZ2 LYS 112 2HZ LYS 112 11.870 -14.805 2.287 864 HZ3 LYS 112 3HZ LYS 112 11.325 -13.564 3.298 865 H MET 113 H MET 113 7.725 -12.591 -2.930 866 HA MET 113 HA MET 113 7.909 -15.138 -3.884 867 HB2 MET 113 1HB MET 113 6.093 -12.908 -4.802 868 HB3 MET 113 2HB MET 113 5.888 -14.585 -5.294 869 HG2 MET 113 1HG MET 113 5.791 -15.132 -2.812 870 HG3 MET 113 2HG MET 113 5.608 -13.398 -2.557 871 HE1 MET 113 1HE MET 113 3.490 -12.016 -4.013 872 HE2 MET 113 2HE MET 113 2.058 -12.647 -3.199 873 HE3 MET 113 3HE MET 113 3.537 -12.357 -2.283 874 H LYS 114 H LYS 114 7.981 -16.073 -5.995 875 HA LYS 114 HA LYS 114 8.906 -16.415 -8.045 876 HB2 LYS 114 1HB LYS 114 8.272 -13.476 -8.204 877 HB3 LYS 114 2HB LYS 114 9.030 -14.327 -9.544 878 HG2 LYS 114 1HG LYS 114 7.040 -15.972 -9.294 879 HG3 LYS 114 2HG LYS 114 6.283 -14.638 -8.420 880 HD2 LYS 114 1HD LYS 114 6.955 -13.215 -10.466 881 HD3 LYS 114 2HD LYS 114 7.155 -14.764 -11.286 882 HE2 LYS 114 1HE LYS 114 4.753 -15.195 -10.249 883 HE3 LYS 114 2HE LYS 114 4.688 -13.433 -10.297 884 HZ1 LYS 114 1HZ LYS 114 5.450 -13.722 -12.710 885 HZ2 LYS 114 2HZ LYS 114 3.838 -14.071 -12.338 886 HZ3 LYS 114 3HZ LYS 114 4.950 -15.330 -12.542 887 H ALA 115 H ALA 115 10.719 -16.312 -6.021 888 HA ALA 115 HA ALA 115 13.124 -15.711 -7.402 889 HB1 ALA 115 1HB ALA 115 12.019 -13.537 -6.019 890 HB2 ALA 115 2HB ALA 115 13.366 -14.108 -5.035 891 HB3 ALA 115 3HB ALA 115 13.633 -13.662 -6.720 892 H LEU 116 H LEU 116 14.669 -17.039 -6.676 893 HA LEU 116 HA LEU 116 14.161 -18.898 -4.627 894 HB2 LEU 116 1HB LEU 116 16.564 -18.151 -6.236 895 HB3 LEU 116 2HB LEU 116 16.737 -19.254 -4.872 896 HG LEU 116 HG LEU 116 16.548 -20.453 -6.993 897 HD11 LEU 116 1HD1 LEU 116 15.321 -21.066 -4.672 898 HD12 LEU 116 2HD1 LEU 116 15.340 -22.120 -6.085 899 HD13 LEU 116 3HD1 LEU 116 13.944 -21.087 -5.775 900 HD21 LEU 116 1HD2 LEU 116 15.275 -19.051 -8.375 901 HD22 LEU 116 2HD2 LEU 116 13.967 -18.930 -7.199 902 HD23 LEU 116 3HD2 LEU 116 14.233 -20.441 -8.070 903 H ALA 117 H ALA 117 14.433 -18.800 -2.497 904 HA ALA 117 HA ALA 117 16.481 -17.142 -1.310 905 HB1 ALA 117 1HB ALA 117 14.624 -16.134 0.238 906 HB2 ALA 117 2HB ALA 117 15.000 -15.389 -1.316 907 HB3 ALA 117 3HB ALA 117 13.590 -16.435 -1.159 908 H VAL 118 H VAL 118 17.073 -17.824 0.716 909 HA VAL 118 HA VAL 118 16.730 -20.413 1.494 910 HB VAL 118 HB VAL 118 17.158 -18.061 3.342 911 HG11 VAL 118 1HG1 VAL 118 18.046 -20.878 3.853 912 HG12 VAL 118 2HG1 VAL 118 17.887 -19.540 4.992 913 HG13 VAL 118 3HG1 VAL 118 16.446 -20.320 4.338 914 HG21 VAL 118 1HG2 VAL 118 19.055 -19.791 1.772 915 HG22 VAL 118 2HG2 VAL 118 18.865 -18.039 1.699 916 HG23 VAL 118 3HG2 VAL 118 19.568 -18.791 3.131 917 H GLU 119 H GLU 119 15.199 -21.605 2.445 918 HA GLU 119 HA GLU 119 13.004 -20.243 3.842 919 HB2 GLU 119 1HB GLU 119 12.560 -21.040 1.365 920 HB3 GLU 119 2HB GLU 119 12.384 -22.612 2.129 921 HG2 GLU 119 1HG GLU 119 10.222 -21.680 1.956 922 HG3 GLU 119 2HG GLU 119 10.687 -21.585 3.653 923 H GLY 120 H GLY 120 12.673 -21.068 5.798 924 HA2 GLY 120 1HA GLY 120 12.377 -23.701 6.514 925 HA3 GLY 120 2HA GLY 120 14.099 -23.391 6.673 926 H LYS 121 H LYS 121 10.955 -22.843 7.992 927 HA LYS 121 HA LYS 121 12.183 -21.428 10.268 928 HB2 LYS 121 1HB LYS 121 9.581 -21.011 8.861 929 HB3 LYS 121 2HB LYS 121 9.669 -20.677 10.585 930 HG2 LYS 121 1HG LYS 121 11.284 -18.990 10.280 931 HG3 LYS 121 2HG LYS 121 11.598 -19.487 8.616 932 HD2 LYS 121 1HD LYS 121 10.269 -17.548 8.451 933 HD3 LYS 121 2HD LYS 121 9.170 -18.893 8.144 934 HE2 LYS 121 1HE LYS 121 8.539 -18.795 10.574 935 HE3 LYS 121 2HE LYS 121 9.472 -17.304 10.685 936 HZ1 LYS 121 1HZ LYS 121 7.208 -16.733 10.331 937 HZ2 LYS 121 2HZ LYS 121 7.067 -17.791 9.019 938 HZ3 LYS 121 3HZ LYS 121 8.031 -16.408 8.889 939 H SER 122 H SER 122 9.468 -23.544 9.355 940 HA SER 122 HA SER 122 8.777 -24.349 11.945 941 HB2 SER 122 1HB SER 122 7.505 -24.714 9.732 942 HB3 SER 122 2HB SER 122 8.513 -26.149 9.543 943 HG SER 122 HG SER 122 6.862 -25.596 11.786 944 H GLY 123 H GLY 123 9.281 -26.188 13.160 945 HA2 GLY 123 1HA GLY 123 10.455 -28.252 13.495 946 HA3 GLY 123 2HA GLY 123 11.605 -27.754 12.263 947 HA PRO 124 HA PRO 124 12.576 -25.388 16.407 948 HB2 PRO 124 1HB PRO 124 11.695 -26.660 18.638 949 HB3 PRO 124 2HB PRO 124 10.750 -25.423 17.801 950 HG2 PRO 124 1HG PRO 124 10.527 -28.405 17.648 951 HG3 PRO 124 2HG PRO 124 9.239 -27.190 17.754 952 HD2 PRO 124 1HD PRO 124 9.942 -28.368 15.420 953 HD3 PRO 124 2HD PRO 124 9.345 -26.699 15.505 954 H SER 125 H SER 125 14.679 -25.969 16.138 955 HA SER 125 HA SER 125 15.705 -28.576 16.355 956 HB2 SER 125 1HB SER 125 16.964 -25.844 16.459 957 HB3 SER 125 2HB SER 125 17.931 -27.299 16.709 958 HG SER 125 HG SER 125 17.394 -27.989 14.663 959 H SER 126 H SER 126 17.298 -29.315 17.982 960 HA SER 126 HA SER 126 16.185 -29.407 20.540 961 HB2 SER 126 1HB SER 126 18.288 -30.496 21.226 962 HB3 SER 126 2HB SER 126 17.702 -31.138 19.690 963 HG SER 126 HG SER 126 19.832 -29.333 20.144 964 H GLY 127 H GLY 127 19.007 -27.580 19.367 965 HA2 GLY 127 1HA GLY 127 19.060 -25.219 20.211 966 HA3 GLY 127 2HA GLY 127 18.802 -25.917 21.802 Start of MODEL 4 1 H1 GLY 1 H GLY 1 20.669 -11.297 -5.405 2 HA2 GLY 1 1HA GLY 1 18.993 -11.591 -3.176 3 HA3 GLY 1 2HA GLY 1 20.746 -11.479 -3.119 4 H SER 2 H SER 2 21.060 -8.886 -4.152 5 HA SER 2 HA SER 2 19.667 -7.228 -2.158 6 HB2 SER 2 1HB SER 2 22.620 -7.333 -2.763 7 HB3 SER 2 2HB SER 2 21.874 -5.938 -1.984 8 HG SER 2 HG SER 2 20.976 -7.902 -0.614 9 H SER 3 H SER 3 19.557 -4.957 -2.680 10 HA SER 3 HA SER 3 19.858 -4.405 -5.558 11 HB2 SER 3 1HB SER 3 17.563 -3.705 -3.726 12 HB3 SER 3 2HB SER 3 17.810 -2.921 -5.285 13 HG SER 3 HG SER 3 17.988 -5.509 -5.707 14 H GLY 4 H GLY 4 20.397 -2.279 -6.146 15 HA2 GLY 4 1HA GLY 4 21.686 -0.771 -3.977 16 HA3 GLY 4 2HA GLY 4 22.078 -0.644 -5.686 17 H SER 5 H SER 5 19.260 -0.181 -3.548 18 HA SER 5 HA SER 5 18.028 1.726 -5.248 19 HB2 SER 5 1HB SER 5 17.589 0.769 -2.451 20 HB3 SER 5 2HB SER 5 16.806 2.266 -2.957 21 HG SER 5 HG SER 5 15.374 0.775 -3.558 22 H SER 6 H SER 6 19.040 3.571 -5.732 23 HA SER 6 HA SER 6 20.970 4.898 -4.274 24 HB2 SER 6 1HB SER 6 20.250 6.946 -5.597 25 HB3 SER 6 2HB SER 6 20.640 5.516 -6.553 26 HG SER 6 HG SER 6 18.160 5.202 -6.160 27 H GLY 7 H GLY 7 17.454 5.374 -4.210 28 HA2 GLY 7 1HA GLY 7 17.803 7.159 -1.889 29 HA3 GLY 7 2HA GLY 7 16.392 7.134 -2.939 30 H ALA 8 H ALA 8 17.704 6.061 -0.034 31 HA ALA 8 HA ALA 8 16.682 3.600 0.501 32 HB1 ALA 8 1HB ALA 8 17.537 4.181 2.465 33 HB2 ALA 8 2HB ALA 8 17.438 5.895 2.056 34 HB3 ALA 8 3HB ALA 8 16.056 5.082 2.788 35 H LYS 9 H LYS 9 14.882 6.640 1.012 36 HA LYS 9 HA LYS 9 12.396 5.146 1.238 37 HB2 LYS 9 1HB LYS 9 12.854 7.006 2.791 38 HB3 LYS 9 2HB LYS 9 12.916 8.119 1.430 39 HG2 LYS 9 1HG LYS 9 10.505 7.169 0.973 40 HG3 LYS 9 2HG LYS 9 10.578 6.794 2.696 41 HD2 LYS 9 1HD LYS 9 9.642 8.924 2.652 42 HD3 LYS 9 2HD LYS 9 11.349 9.242 2.967 43 HE2 LYS 9 1HE LYS 9 11.495 9.398 0.362 44 HE3 LYS 9 2HE LYS 9 9.759 9.685 0.478 45 HZ1 LYS 9 1HZ LYS 9 11.232 11.710 0.490 46 HZ2 LYS 9 2HZ LYS 9 11.731 11.246 2.038 47 HZ3 LYS 9 3HZ LYS 9 10.105 11.612 1.748 48 H ASP 10 H ASP 10 13.898 7.533 -0.895 49 HA ASP 10 HA ASP 10 11.838 8.137 -2.597 50 HB2 ASP 10 1HB ASP 10 14.560 7.528 -3.713 51 HB3 ASP 10 2HB ASP 10 13.442 8.814 -4.160 52 H ALA 11 H ALA 11 13.980 5.309 -2.766 53 HA ALA 11 HA ALA 11 13.130 4.142 -5.095 54 HB1 ALA 11 1HB ALA 11 14.769 2.852 -4.265 55 HB2 ALA 11 2HB ALA 11 14.310 3.167 -2.591 56 HB3 ALA 11 3HB ALA 11 13.445 1.948 -3.528 57 H LEU 12 H LEU 12 11.574 3.997 -1.921 58 HA LEU 12 HA LEU 12 9.540 2.170 -2.669 59 HB2 LEU 12 1HB LEU 12 10.258 2.693 -0.334 60 HB3 LEU 12 2HB LEU 12 9.435 4.244 -0.487 61 HG LEU 12 HG LEU 12 7.301 3.012 -0.830 62 HD11 LEU 12 1HD1 LEU 12 8.218 0.915 -1.656 63 HD12 LEU 12 2HD1 LEU 12 7.215 0.643 -0.232 64 HD13 LEU 12 3HD1 LEU 12 8.971 0.613 -0.090 65 HD21 LEU 12 1HD2 LEU 12 8.562 2.142 1.748 66 HD22 LEU 12 2HD2 LEU 12 6.911 2.685 1.445 67 HD23 LEU 12 3HD2 LEU 12 8.243 3.844 1.411 68 H LEU 13 H LEU 13 9.271 5.662 -1.977 69 HA LEU 13 HA LEU 13 6.751 6.191 -2.756 70 HB2 LEU 13 1HB LEU 13 8.290 7.898 -1.961 71 HB3 LEU 13 2HB LEU 13 9.183 7.820 -3.479 72 HG LEU 13 HG LEU 13 7.097 8.626 -4.629 73 HD11 LEU 13 1HD1 LEU 13 5.998 9.858 -2.259 74 HD12 LEU 13 2HD1 LEU 13 5.927 8.099 -2.167 75 HD13 LEU 13 3HD1 LEU 13 5.192 8.940 -3.531 76 HD21 LEU 13 1HD2 LEU 13 8.405 10.378 -2.553 77 HD22 LEU 13 2HD2 LEU 13 7.396 10.973 -3.873 78 HD23 LEU 13 3HD2 LEU 13 8.913 10.144 -4.225 79 H LEU 14 H LEU 14 9.497 5.771 -4.954 80 HA LEU 14 HA LEU 14 8.109 6.338 -7.339 81 HB2 LEU 14 1HB LEU 14 10.471 6.374 -7.388 82 HB3 LEU 14 2HB LEU 14 10.581 4.738 -6.744 83 HG LEU 14 HG LEU 14 9.677 3.871 -8.873 84 HD11 LEU 14 1HD1 LEU 14 9.578 6.783 -9.505 85 HD12 LEU 14 2HD1 LEU 14 8.402 5.515 -9.849 86 HD13 LEU 14 3HD1 LEU 14 9.886 5.623 -10.798 87 HD21 LEU 14 1HD2 LEU 14 12.238 5.176 -8.476 88 HD22 LEU 14 2HD2 LEU 14 11.791 5.085 -10.180 89 HD23 LEU 14 3HD2 LEU 14 11.865 3.614 -9.208 90 H TRP 15 H TRP 15 8.744 3.290 -5.644 91 HA TRP 15 HA TRP 15 7.727 1.494 -7.475 92 HB2 TRP 15 1HB TRP 15 8.851 0.952 -5.285 93 HB3 TRP 15 2HB TRP 15 7.320 1.297 -4.487 94 HD1 TRP 15 HD TRP 15 8.585 -1.061 -7.309 95 HE1 TRP 15 1HE TRP 15 7.320 -3.292 -7.093 96 HE3 TRP 15 3HE TRP 15 5.515 0.122 -3.396 97 HZ2 TRP 15 2HZ TRP 15 5.290 -4.404 -5.478 98 HZ3 TRP 15 3HZ TRP 15 3.940 -1.582 -2.576 99 HH2 TRP 15 HH TRP 15 3.831 -3.797 -3.597 100 H CYS 16 H CYS 16 5.890 2.782 -4.696 101 HA CYS 16 HA CYS 16 3.401 1.840 -5.393 102 HB2 CYS 16 1HB CYS 16 4.248 3.225 -3.315 103 HB3 CYS 16 2HB CYS 16 3.617 4.587 -4.231 104 HG CYS 16 HG CYS 16 1.368 4.297 -2.995 105 H GLN 17 H GLN 17 4.905 4.905 -6.363 106 HA GLN 17 HA GLN 17 2.773 5.984 -7.785 107 HB2 GLN 17 1HB GLN 17 5.742 6.294 -7.943 108 HB3 GLN 17 2HB GLN 17 4.741 7.022 -9.191 109 HG2 GLN 17 1HG GLN 17 3.478 8.199 -7.402 110 HG3 GLN 17 2HG GLN 17 4.639 7.567 -6.235 111 HE21 GLN 17 1HE2 GLN 17 4.245 10.261 -6.516 112 HE22 GLN 17 2HE2 GLN 17 5.650 10.985 -7.214 113 H MET 18 H MET 18 5.257 3.694 -8.813 114 HA MET 18 HA MET 18 4.644 3.648 -11.547 115 HB2 MET 18 1HB MET 18 5.866 1.602 -9.704 116 HB3 MET 18 2HB MET 18 5.644 1.292 -11.420 117 HG2 MET 18 1HG MET 18 6.904 3.605 -11.630 118 HG3 MET 18 2HG MET 18 7.518 3.130 -10.047 119 HE1 MET 18 1HE MET 18 8.465 1.075 -9.475 120 HE2 MET 18 2HE MET 18 9.284 -0.086 -10.521 121 HE3 MET 18 3HE MET 18 10.045 1.463 -10.158 122 H LYS 19 H LYS 19 3.443 1.633 -8.879 123 HA LYS 19 HA LYS 19 1.701 0.094 -10.533 124 HB2 LYS 19 1HB LYS 19 1.459 0.483 -7.551 125 HB3 LYS 19 2HB LYS 19 0.894 -0.880 -8.507 126 HG2 LYS 19 1HG LYS 19 3.768 -0.135 -8.005 127 HG3 LYS 19 2HG LYS 19 2.885 -1.466 -7.256 128 HD2 LYS 19 1HD LYS 19 2.538 -2.433 -9.521 129 HD3 LYS 19 2HD LYS 19 3.563 -1.155 -10.179 130 HE2 LYS 19 1HE LYS 19 4.599 -2.829 -7.942 131 HE3 LYS 19 2HE LYS 19 4.553 -3.514 -9.566 132 HZ1 LYS 19 1HZ LYS 19 5.680 -1.202 -10.109 133 HZ2 LYS 19 2HZ LYS 19 6.584 -2.551 -9.637 134 HZ3 LYS 19 3HZ LYS 19 6.201 -1.352 -8.506 135 H THR 20 H THR 20 0.977 2.496 -7.992 136 HA THR 20 HA THR 20 -1.730 2.760 -8.438 137 HB THR 20 HB THR 20 -1.553 5.031 -7.472 138 HG1 THR 20 1HG THR 20 1.231 4.667 -7.219 139 HG21 THR 20 1HG2 THR 20 -0.206 2.675 -6.245 140 HG22 THR 20 2HG2 THR 20 -1.676 3.516 -5.755 141 HG23 THR 20 3HG2 THR 20 -0.098 4.226 -5.413 142 H ALA 21 H ALA 21 0.942 4.244 -10.175 143 HA ALA 21 HA ALA 21 -0.067 6.273 -11.583 144 HB1 ALA 21 1HB ALA 21 1.692 4.023 -12.428 145 HB2 ALA 21 2HB ALA 21 1.149 5.185 -13.639 146 HB3 ALA 21 3HB ALA 21 2.064 5.737 -12.236 147 H GLY 22 H GLY 22 -0.645 2.866 -12.471 148 HA2 GLY 22 1HA GLY 22 -2.115 2.996 -14.702 149 HA3 GLY 22 2HA GLY 22 -2.576 1.938 -13.375 150 H TYR 23 H TYR 23 -3.418 3.760 -11.487 151 HA TYR 23 HA TYR 23 -5.942 4.594 -12.665 152 HB2 TYR 23 1HB TYR 23 -5.178 4.843 -9.762 153 HB3 TYR 23 2HB TYR 23 -6.788 4.711 -10.460 154 HD1 TYR 23 2HD TYR 23 -3.671 2.827 -9.786 155 HD2 TYR 23 1HD TYR 23 -7.795 2.602 -10.807 156 HE1 TYR 23 2HE TYR 23 -3.620 0.395 -9.425 157 HE2 TYR 23 1HE TYR 23 -7.757 0.168 -10.450 158 HH TYR 23 HH TYR 23 -5.557 -1.673 -10.558 159 HA PRO 24 HA PRO 24 -4.625 8.809 -13.037 160 HB2 PRO 24 1HB PRO 24 -7.063 9.858 -13.604 161 HB3 PRO 24 2HB PRO 24 -6.113 8.946 -14.783 162 HG2 PRO 24 1HG PRO 24 -8.398 8.032 -13.079 163 HG3 PRO 24 2HG PRO 24 -8.073 7.695 -14.790 164 HD2 PRO 24 1HD PRO 24 -7.521 5.917 -12.825 165 HD3 PRO 24 2HD PRO 24 -6.547 6.038 -14.303 166 H ASN 25 H ASN 25 -7.461 7.934 -11.094 167 HA ASN 25 HA ASN 25 -7.592 10.356 -9.638 168 HB2 ASN 25 1HB ASN 25 -8.603 7.592 -8.937 169 HB3 ASN 25 2HB ASN 25 -9.020 9.063 -8.062 170 HD21 ASN 25 1HD2 ASN 25 -10.015 10.799 -9.382 171 HD22 ASN 25 2HD2 ASN 25 -11.127 10.330 -10.618 172 H VAL 26 H VAL 26 -6.085 7.222 -8.949 173 HA VAL 26 HA VAL 26 -5.122 7.952 -6.375 174 HB VAL 26 HB VAL 26 -4.101 5.786 -8.218 175 HG11 VAL 26 1HG1 VAL 26 -3.861 5.996 -5.222 176 HG12 VAL 26 2HG1 VAL 26 -3.134 4.782 -6.275 177 HG13 VAL 26 3HG1 VAL 26 -2.586 6.458 -6.349 178 HG21 VAL 26 1HG2 VAL 26 -5.537 4.320 -6.745 179 HG22 VAL 26 2HG2 VAL 26 -6.290 5.799 -6.150 180 HG23 VAL 26 3HG2 VAL 26 -6.408 5.375 -7.859 181 H ASN 27 H ASN 27 -3.482 9.236 -5.874 182 HA ASN 27 HA ASN 27 -1.216 9.458 -7.723 183 HB2 ASN 27 1HB ASN 27 -2.867 11.716 -6.611 184 HB3 ASN 27 2HB ASN 27 -1.192 11.964 -7.094 185 HD21 ASN 27 1HD2 ASN 27 -4.217 12.370 -8.102 186 HD22 ASN 27 2HD2 ASN 27 -4.011 12.213 -9.811 187 H VAL 28 H VAL 28 0.477 8.754 -6.610 188 HA VAL 28 HA VAL 28 0.591 9.108 -3.719 189 HB VAL 28 HB VAL 28 2.546 7.664 -5.511 190 HG11 VAL 28 1HG1 VAL 28 3.129 8.479 -3.095 191 HG12 VAL 28 2HG1 VAL 28 2.141 7.099 -2.609 192 HG13 VAL 28 3HG1 VAL 28 3.568 6.853 -3.616 193 HG21 VAL 28 1HG2 VAL 28 1.406 5.652 -5.086 194 HG22 VAL 28 2HG2 VAL 28 0.408 6.384 -3.831 195 HG23 VAL 28 3HG2 VAL 28 0.148 6.809 -5.523 196 H HIS 29 H HIS 29 0.834 11.479 -4.015 197 HA HIS 29 HA HIS 29 3.372 12.418 -5.040 198 HB2 HIS 29 1HB HIS 29 2.372 14.615 -3.904 199 HB3 HIS 29 2HB HIS 29 1.823 14.044 -5.477 200 HD1 HIS 29 1HD HIS 29 -0.598 14.589 -5.508 201 HD2 HIS 29 2HD HIS 29 0.557 12.819 -1.931 202 HE1 HIS 29 1HE HIS 29 -2.725 14.239 -4.215 203 HE2 HIS 29 2HE HIS 29 -1.993 13.245 -2.019 204 H ASN 30 H ASN 30 2.244 11.165 -2.131 205 HA ASN 30 HA ASN 30 4.715 11.571 -0.808 206 HB2 ASN 30 1HB ASN 30 3.460 12.827 1.166 207 HB3 ASN 30 2HB ASN 30 4.209 13.716 -0.157 208 HD21 ASN 30 1HD2 ASN 30 1.140 12.235 0.797 209 HD22 ASN 30 2HD2 ASN 30 0.134 13.430 0.059 210 H PHE 31 H PHE 31 4.399 10.972 1.658 211 HA PHE 31 HA PHE 31 2.707 8.572 1.673 212 HB2 PHE 31 1HB PHE 31 5.131 9.296 3.328 213 HB3 PHE 31 2HB PHE 31 4.180 7.832 3.553 214 HD1 PHE 31 2HD PHE 31 3.825 6.449 1.300 215 HD2 PHE 31 1HD PHE 31 7.033 9.138 2.067 216 HE1 PHE 31 2HE PHE 31 5.187 5.301 -0.397 217 HE2 PHE 31 1HE PHE 31 8.401 7.995 0.370 218 HZ PHE 31 HZ PHE 31 7.478 6.074 -0.864 219 H THR 32 H THR 32 1.761 11.304 2.228 220 HA THR 32 HA THR 32 0.831 10.883 4.994 221 HB THR 32 HB THR 32 0.550 13.377 5.126 222 HG1 THR 32 1HG THR 32 0.829 14.405 3.303 223 HG21 THR 32 1HG2 THR 32 2.539 12.044 6.016 224 HG22 THR 32 2HG2 THR 32 2.774 13.777 5.791 225 HG23 THR 32 3HG2 THR 32 3.420 12.639 4.610 226 H THR 33 H THR 33 -0.092 13.032 2.306 227 HA THR 33 HA THR 33 -2.895 12.444 2.820 228 HB THR 33 HB THR 33 -3.393 14.238 1.250 229 HG1 THR 33 1HG THR 33 -1.225 15.390 0.624 230 HG21 THR 33 1HG2 THR 33 -2.220 14.544 3.706 231 HG22 THR 33 2HG2 THR 33 -2.963 15.839 2.767 232 HG23 THR 33 3HG2 THR 33 -1.221 15.577 2.685 233 H SER 34 H SER 34 -1.208 10.360 1.691 234 HA SER 34 HA SER 34 -2.502 10.043 -0.939 235 HB2 SER 34 1HB SER 34 -0.152 10.137 -1.314 236 HB3 SER 34 2HB SER 34 0.180 9.070 0.051 237 HG SER 34 HG SER 34 -0.538 7.358 -1.096 238 H TRP 35 H TRP 35 -1.914 8.682 2.188 239 HA TRP 35 HA TRP 35 -3.513 6.321 1.439 240 HB2 TRP 35 1HB TRP 35 -1.654 6.351 3.800 241 HB3 TRP 35 2HB TRP 35 -2.287 4.971 2.907 242 HD1 TRP 35 HD TRP 35 0.120 7.948 2.230 243 HE1 TRP 35 1HE TRP 35 2.005 7.101 0.695 244 HE3 TRP 35 3HE TRP 35 -1.511 3.156 1.512 245 HZ2 TRP 35 2HZ TRP 35 2.707 4.717 -0.643 246 HZ3 TRP 35 3HZ TRP 35 -0.175 1.656 0.090 247 HH2 TRP 35 HH TRP 35 1.889 2.423 -0.964 248 H ARG 36 H ARG 36 -3.904 9.170 2.779 249 HA ARG 36 HA ARG 36 -4.952 8.690 5.350 250 HB2 ARG 36 1HB ARG 36 -4.405 10.931 4.758 251 HB3 ARG 36 2HB ARG 36 -5.440 10.881 3.337 252 HG2 ARG 36 1HG ARG 36 -6.697 10.465 5.995 253 HG3 ARG 36 2HG ARG 36 -6.176 12.094 5.558 254 HD2 ARG 36 1HD ARG 36 -7.797 10.477 3.637 255 HD3 ARG 36 2HD ARG 36 -8.589 11.296 4.982 256 HE ARG 36 HE ARG 36 -7.384 12.523 2.653 257 HH11 ARG 36 1HH1 ARG 36 -8.610 12.964 5.882 258 HH12 ARG 36 2HH1 ARG 36 -8.882 14.664 5.688 259 HH21 ARG 36 1HH2 ARG 36 -7.737 14.761 2.385 260 HH22 ARG 36 2HH2 ARG 36 -8.387 15.684 3.698 261 H ASP 37 H ASP 37 -6.474 8.789 2.154 262 HA ASP 37 HA ASP 37 -9.106 8.289 3.174 263 HB2 ASP 37 1HB ASP 37 -8.648 9.506 1.037 264 HB3 ASP 37 2HB ASP 37 -8.107 7.982 0.337 265 H GLY 38 H GLY 38 -6.864 6.339 1.192 266 HA2 GLY 38 1HA GLY 38 -6.610 4.016 2.313 267 HA3 GLY 38 2HA GLY 38 -8.342 3.936 2.024 268 H LEU 39 H LEU 39 -8.338 5.244 -0.510 269 HA LEU 39 HA LEU 39 -8.310 3.295 -2.321 270 HB2 LEU 39 1HB LEU 39 -7.313 6.108 -2.687 271 HB3 LEU 39 2HB LEU 39 -7.547 4.996 -4.033 272 HG LEU 39 HG LEU 39 -9.728 5.893 -2.153 273 HD11 LEU 39 1HD1 LEU 39 -8.791 6.943 -4.794 274 HD12 LEU 39 2HD1 LEU 39 -9.212 7.826 -3.327 275 HD13 LEU 39 3HD1 LEU 39 -10.480 7.091 -4.308 276 HD21 LEU 39 1HD2 LEU 39 -10.078 3.690 -3.191 277 HD22 LEU 39 2HD2 LEU 39 -9.857 4.419 -4.782 278 HD23 LEU 39 3HD2 LEU 39 -11.226 4.895 -3.775 279 H ALA 40 H ALA 40 -5.394 5.242 -1.661 280 HA ALA 40 HA ALA 40 -3.538 4.151 -3.258 281 HB1 ALA 40 1HB ALA 40 -3.493 5.434 -0.694 282 HB2 ALA 40 2HB ALA 40 -2.249 4.186 -0.767 283 HB3 ALA 40 3HB ALA 40 -2.288 5.465 -1.980 284 H PHE 41 H PHE 41 -4.283 2.759 -0.055 285 HA PHE 41 HA PHE 41 -2.743 0.443 -0.370 286 HB2 PHE 41 1HB PHE 41 -5.148 1.037 1.354 287 HB3 PHE 41 2HB PHE 41 -4.277 -0.491 1.436 288 HD1 PHE 41 1HD PHE 41 -1.641 -0.194 1.689 289 HD2 PHE 41 2HD PHE 41 -4.568 2.669 2.851 290 HE1 PHE 41 1HE PHE 41 -0.035 0.803 3.265 291 HE2 PHE 41 2HE PHE 41 -2.967 3.673 4.426 292 HZ PHE 41 HZ PHE 41 -0.697 2.741 4.634 293 H ASN 42 H ASN 42 -6.150 1.075 -1.090 294 HA ASN 42 HA ASN 42 -6.721 -1.602 -1.901 295 HB2 ASN 42 1HB ASN 42 -8.218 0.958 -2.506 296 HB3 ASN 42 2HB ASN 42 -8.840 -0.674 -2.727 297 HD21 ASN 42 1HD2 ASN 42 -8.482 1.917 -0.604 298 HD22 ASN 42 2HD2 ASN 42 -9.067 1.147 0.828 299 H ALA 43 H ALA 43 -4.716 0.545 -3.257 300 HA ALA 43 HA ALA 43 -5.472 -0.027 -6.031 301 HB1 ALA 43 1HB ALA 43 -3.111 1.641 -5.600 302 HB2 ALA 43 2HB ALA 43 -4.535 1.924 -6.602 303 HB3 ALA 43 3HB ALA 43 -4.585 2.285 -4.877 304 H ILE 44 H ILE 44 -2.770 -0.369 -3.768 305 HA ILE 44 HA ILE 44 -0.943 -1.560 -5.525 306 HB ILE 44 HB ILE 44 -1.218 -1.992 -2.548 307 HG12 ILE 44 1HG1 ILE 44 0.696 -0.141 -3.961 308 HG13 ILE 44 2HG1 ILE 44 -0.901 0.391 -3.445 309 HG21 ILE 44 1HG2 ILE 44 0.319 -3.579 -2.888 310 HG22 ILE 44 2HG2 ILE 44 0.633 -3.045 -4.538 311 HG23 ILE 44 3HG2 ILE 44 1.437 -2.248 -3.186 312 HD11 ILE 44 1HD1 ILE 44 1.298 -0.652 -1.678 313 HD12 ILE 44 2HD1 ILE 44 0.743 1.018 -1.809 314 HD13 ILE 44 3HD1 ILE 44 -0.321 -0.216 -1.133 315 H VAL 45 H VAL 45 -3.264 -3.056 -3.281 316 HA VAL 45 HA VAL 45 -2.646 -5.726 -3.955 317 HB VAL 45 HB VAL 45 -5.244 -4.629 -2.870 318 HG11 VAL 45 1HG1 VAL 45 -4.363 -7.356 -2.197 319 HG12 VAL 45 2HG1 VAL 45 -5.976 -6.738 -2.559 320 HG13 VAL 45 3HG1 VAL 45 -4.857 -7.108 -3.871 321 HG21 VAL 45 1HG2 VAL 45 -2.734 -5.577 -1.502 322 HG22 VAL 45 2HG2 VAL 45 -3.499 -3.991 -1.387 323 HG23 VAL 45 3HG2 VAL 45 -4.282 -5.402 -0.676 324 H HIS 46 H HIS 46 -5.544 -3.832 -4.831 325 HA HIS 46 HA HIS 46 -6.802 -5.462 -6.554 326 HB2 HIS 46 1HB HIS 46 -7.450 -3.099 -6.010 327 HB3 HIS 46 2HB HIS 46 -6.274 -2.556 -7.203 328 HD1 HIS 46 1HD HIS 46 -7.143 -2.272 -9.506 329 HD2 HIS 46 2HD HIS 46 -9.531 -4.812 -7.247 330 HE1 HIS 46 1HE HIS 46 -9.120 -2.809 -10.964 331 HE2 HIS 46 2HE HIS 46 -10.593 -4.279 -9.545 332 H LYS 47 H LYS 47 -3.927 -3.549 -7.337 333 HA LYS 47 HA LYS 47 -3.761 -4.150 -10.058 334 HB2 LYS 47 1HB LYS 47 -2.404 -2.423 -8.918 335 HB3 LYS 47 2HB LYS 47 -1.480 -3.693 -8.127 336 HG2 LYS 47 1HG LYS 47 -0.101 -3.169 -9.875 337 HG3 LYS 47 2HG LYS 47 -1.036 -4.493 -10.574 338 HD2 LYS 47 1HD LYS 47 -2.370 -3.024 -11.837 339 HD3 LYS 47 2HD LYS 47 -1.860 -1.621 -10.896 340 HE2 LYS 47 1HE LYS 47 -0.781 -1.604 -13.063 341 HE3 LYS 47 2HE LYS 47 0.416 -1.871 -11.796 342 HZ1 LYS 47 1HZ LYS 47 -0.601 -4.343 -12.724 343 HZ2 LYS 47 2HZ LYS 47 0.993 -3.779 -12.730 344 HZ3 LYS 47 3HZ LYS 47 -0.030 -3.432 -14.032 345 H HIS 48 H HIS 48 -2.322 -5.825 -7.272 346 HA HIS 48 HA HIS 48 -1.149 -7.885 -8.870 347 HB2 HIS 48 1HB HIS 48 -1.719 -8.013 -5.909 348 HB3 HIS 48 2HB HIS 48 -0.486 -8.892 -6.808 349 HD1 HIS 48 1HD HIS 48 0.986 -6.752 -8.274 350 HD2 HIS 48 2HD HIS 48 -0.376 -6.238 -4.382 351 HE1 HIS 48 1HE HIS 48 2.415 -4.927 -7.295 352 HE2 HIS 48 2HE HIS 48 1.629 -4.694 -4.914 353 H ARG 49 H ARG 49 -3.869 -7.875 -6.562 354 HA ARG 49 HA ARG 49 -4.991 -10.166 -8.037 355 HB2 ARG 49 1HB ARG 49 -5.153 -9.597 -5.072 356 HB3 ARG 49 2HB ARG 49 -6.004 -10.898 -5.893 357 HG2 ARG 49 1HG ARG 49 -3.057 -10.745 -6.210 358 HG3 ARG 49 2HG ARG 49 -3.706 -11.291 -4.662 359 HD2 ARG 49 1HD ARG 49 -4.351 -12.464 -7.366 360 HD3 ARG 49 2HD ARG 49 -3.266 -13.168 -6.169 361 HE ARG 49 HE ARG 49 -5.963 -12.684 -5.248 362 HH11 ARG 49 1HH1 ARG 49 -3.739 -14.943 -6.688 363 HH12 ARG 49 2HH1 ARG 49 -4.656 -16.339 -6.228 364 HH21 ARG 49 1HH2 ARG 49 -7.178 -14.515 -4.636 365 HH22 ARG 49 2HH2 ARG 49 -6.612 -16.094 -5.062 366 HA PRO 50 HA PRO 50 -8.029 -6.756 -8.438 367 HB2 PRO 50 1HB PRO 50 -8.916 -7.559 -10.875 368 HB3 PRO 50 2HB PRO 50 -7.478 -6.554 -10.660 369 HG2 PRO 50 1HG PRO 50 -7.675 -9.506 -11.112 370 HG3 PRO 50 2HG PRO 50 -6.555 -8.335 -11.833 371 HD2 PRO 50 1HD PRO 50 -5.848 -9.955 -9.782 372 HD3 PRO 50 2HD PRO 50 -5.178 -8.323 -9.985 373 H ASP 51 H ASP 51 -8.169 -9.971 -7.791 374 HA ASP 51 HA ASP 51 -11.036 -10.283 -8.220 375 HB2 ASP 51 1HB ASP 51 -8.785 -12.110 -7.534 376 HB3 ASP 51 2HB ASP 51 -10.401 -12.564 -7.000 377 H LEU 52 H LEU 52 -8.707 -10.276 -5.540 378 HA LEU 52 HA LEU 52 -10.263 -10.783 -3.383 379 HB2 LEU 52 1HB LEU 52 -8.269 -8.528 -3.551 380 HB3 LEU 52 2HB LEU 52 -8.823 -9.322 -2.078 381 HG LEU 52 HG LEU 52 -7.156 -10.569 -4.262 382 HD11 LEU 52 1HD1 LEU 52 -6.040 -10.560 -1.607 383 HD12 LEU 52 2HD1 LEU 52 -6.411 -8.921 -2.140 384 HD13 LEU 52 3HD1 LEU 52 -5.360 -9.948 -3.115 385 HD21 LEU 52 1HD2 LEU 52 -6.970 -12.393 -2.447 386 HD22 LEU 52 2HD2 LEU 52 -8.421 -12.340 -3.448 387 HD23 LEU 52 3HD2 LEU 52 -8.456 -11.692 -1.808 388 H LEU 53 H LEU 53 -9.700 -7.432 -4.475 389 HA LEU 53 HA LEU 53 -12.435 -6.791 -3.583 390 HB2 LEU 53 1HB LEU 53 -11.686 -4.614 -2.913 391 HB3 LEU 53 2HB LEU 53 -10.690 -5.837 -2.127 392 HG LEU 53 HG LEU 53 -9.784 -4.417 -4.616 393 HD11 LEU 53 1HD1 LEU 53 -9.490 -3.541 -1.751 394 HD12 LEU 53 2HD1 LEU 53 -10.228 -2.649 -3.081 395 HD13 LEU 53 3HD1 LEU 53 -8.489 -2.938 -3.072 396 HD21 LEU 53 1HD2 LEU 53 -8.298 -6.105 -4.343 397 HD22 LEU 53 2HD2 LEU 53 -8.617 -6.259 -2.615 398 HD23 LEU 53 3HD2 LEU 53 -7.579 -4.962 -3.209 399 H ASP 54 H ASP 54 -13.356 -4.841 -4.664 400 HA ASP 54 HA ASP 54 -12.555 -4.791 -7.498 401 HB2 ASP 54 1HB ASP 54 -15.280 -3.987 -6.520 402 HB3 ASP 54 2HB ASP 54 -14.797 -4.534 -8.123 403 H PHE 55 H PHE 55 -11.075 -3.098 -7.290 404 HA PHE 55 HA PHE 55 -11.332 -0.724 -5.950 405 HB2 PHE 55 1HB PHE 55 -9.390 -1.617 -7.417 406 HB3 PHE 55 2HB PHE 55 -10.198 -0.771 -8.734 407 HD1 PHE 55 1HD PHE 55 -9.156 -0.103 -5.211 408 HD2 PHE 55 2HD PHE 55 -9.460 1.343 -9.203 409 HE1 PHE 55 1HE PHE 55 -8.057 1.991 -4.532 410 HE2 PHE 55 2HE PHE 55 -8.361 3.439 -8.530 411 HZ PHE 55 HZ PHE 55 -7.658 3.765 -6.193 412 H GLU 56 H GLU 56 -12.662 -1.564 -9.115 413 HA GLU 56 HA GLU 56 -13.637 0.969 -9.813 414 HB2 GLU 56 1HB GLU 56 -14.394 -1.829 -10.586 415 HB3 GLU 56 2HB GLU 56 -15.348 -0.465 -11.154 416 HG2 GLU 56 1HG GLU 56 -13.694 0.308 -12.520 417 HG3 GLU 56 2HG GLU 56 -12.405 -0.366 -11.526 418 H SER 57 H SER 57 -14.945 -1.545 -7.758 419 HA SER 57 HA SER 57 -17.568 -0.441 -7.560 420 HB2 SER 57 1HB SER 57 -16.995 -2.838 -7.091 421 HB3 SER 57 2HB SER 57 -16.193 -2.306 -5.613 422 HG SER 57 HG SER 57 -18.898 -1.704 -6.194 423 H LEU 58 H LEU 58 -14.686 -0.330 -5.492 424 HA LEU 58 HA LEU 58 -15.704 1.062 -3.335 425 HB2 LEU 58 1HB LEU 58 -12.976 1.465 -4.548 426 HB3 LEU 58 2HB LEU 58 -13.449 1.786 -2.881 427 HG LEU 58 HG LEU 58 -13.354 -0.947 -4.157 428 HD11 LEU 58 1HD1 LEU 58 -11.125 -0.462 -3.975 429 HD12 LEU 58 2HD1 LEU 58 -11.444 -1.100 -2.362 430 HD13 LEU 58 3HD1 LEU 58 -11.362 0.642 -2.620 431 HD21 LEU 58 1HD2 LEU 58 -13.518 -0.328 -1.229 432 HD22 LEU 58 2HD2 LEU 58 -13.887 -1.835 -2.070 433 HD23 LEU 58 3HD2 LEU 58 -14.973 -0.453 -2.219 434 H LYS 59 H LYS 59 -15.141 3.380 -2.756 435 HA LYS 59 HA LYS 59 -15.408 5.187 -5.053 436 HB2 LYS 59 1HB LYS 59 -17.128 5.260 -2.567 437 HB3 LYS 59 2HB LYS 59 -17.113 6.497 -3.817 438 HG2 LYS 59 1HG LYS 59 -17.693 4.524 -5.406 439 HG3 LYS 59 2HG LYS 59 -18.195 3.718 -3.918 440 HD2 LYS 59 1HD LYS 59 -19.633 5.707 -3.425 441 HD3 LYS 59 2HD LYS 59 -19.234 6.322 -5.031 442 HE2 LYS 59 1HE LYS 59 -20.352 4.564 -6.102 443 HE3 LYS 59 2HE LYS 59 -20.383 3.577 -4.642 444 HZ1 LYS 59 1HZ LYS 59 -21.744 5.809 -3.922 445 HZ2 LYS 59 2HZ LYS 59 -22.445 4.345 -4.399 446 HZ3 LYS 59 3HZ LYS 59 -22.230 5.587 -5.528 447 H LYS 60 H LYS 60 -15.138 7.529 -4.316 448 HA LYS 60 HA LYS 60 -12.663 7.716 -2.889 449 HB2 LYS 60 1HB LYS 60 -14.474 9.648 -4.281 450 HB3 LYS 60 2HB LYS 60 -13.240 10.269 -3.193 451 HG2 LYS 60 1HG LYS 60 -12.285 10.312 -5.337 452 HG3 LYS 60 2HG LYS 60 -11.569 8.918 -4.525 453 HD2 LYS 60 1HD LYS 60 -13.524 7.607 -5.639 454 HD3 LYS 60 2HD LYS 60 -13.600 8.999 -6.721 455 HE2 LYS 60 1HE LYS 60 -11.300 8.678 -7.367 456 HE3 LYS 60 2HE LYS 60 -11.110 7.385 -6.183 457 HZ1 LYS 60 1HZ LYS 60 -13.287 6.912 -7.978 458 HZ2 LYS 60 2HZ LYS 60 -11.983 5.911 -7.579 459 HZ3 LYS 60 3HZ LYS 60 -11.814 7.074 -8.796 460 H CYS 61 H CYS 61 -15.899 9.104 -2.314 461 HA CYS 61 HA CYS 61 -15.577 10.376 0.040 462 HB2 CYS 61 1HB CYS 61 -17.817 8.723 -1.037 463 HB3 CYS 61 2HB CYS 61 -17.920 9.281 0.628 464 HG CYS 61 HG CYS 61 -19.294 11.267 -0.382 465 H ASN 62 H ASN 62 -16.160 6.875 -0.253 466 HA ASN 62 HA ASN 62 -15.977 6.308 2.496 467 HB2 ASN 62 1HB ASN 62 -15.641 4.629 0.020 468 HB3 ASN 62 2HB ASN 62 -15.418 3.944 1.628 469 HD21 ASN 62 1HD2 ASN 62 -17.324 4.931 3.132 470 HD22 ASN 62 2HD2 ASN 62 -18.895 4.577 2.507 471 H ALA 63 H ALA 63 -14.281 6.501 3.787 472 HA ALA 63 HA ALA 63 -11.591 6.089 2.651 473 HB1 ALA 63 1HB ALA 63 -11.087 8.136 3.341 474 HB2 ALA 63 2HB ALA 63 -12.666 8.313 4.109 475 HB3 ALA 63 3HB ALA 63 -11.327 7.593 5.001 476 H HIS 64 H HIS 64 -13.212 6.144 5.833 477 HA HIS 64 HA HIS 64 -11.416 4.526 7.187 478 HB2 HIS 64 1HB HIS 64 -13.178 5.787 8.321 479 HB3 HIS 64 2HB HIS 64 -14.406 4.749 7.601 480 HD1 HIS 64 1HD HIS 64 -11.214 3.912 9.510 481 HD2 HIS 64 2HD HIS 64 -15.297 3.150 9.581 482 HE1 HIS 64 1HE HIS 64 -11.565 2.306 11.412 483 HE2 HIS 64 2HE HIS 64 -14.032 1.793 11.382 484 H TYR 65 H TYR 65 -14.485 3.514 5.676 485 HA TYR 65 HA TYR 65 -14.229 0.783 6.127 486 HB2 TYR 65 1HB TYR 65 -16.336 1.521 5.394 487 HB3 TYR 65 2HB TYR 65 -15.658 2.369 4.008 488 HD1 TYR 65 1HD TYR 65 -15.955 -1.095 5.381 489 HD2 TYR 65 2HD TYR 65 -15.835 1.384 1.924 490 HE1 TYR 65 1HE TYR 65 -16.414 -3.055 3.966 491 HE2 TYR 65 2HE TYR 65 -16.294 -0.568 0.501 492 HH TYR 65 HH TYR 65 -15.847 -3.563 1.287 493 H ASN 66 H ASN 66 -13.186 2.699 3.324 494 HA ASN 66 HA ASN 66 -12.188 0.597 1.779 495 HB2 ASN 66 1HB ASN 66 -11.551 3.531 1.918 496 HB3 ASN 66 2HB ASN 66 -10.655 2.467 0.837 497 HD21 ASN 66 1HD2 ASN 66 -11.677 4.104 -0.662 498 HD22 ASN 66 2HD2 ASN 66 -13.214 3.680 -1.330 499 H LEU 67 H LEU 67 -10.599 2.602 4.230 500 HA LEU 67 HA LEU 67 -8.003 1.623 3.942 501 HB2 LEU 67 1HB LEU 67 -9.535 2.895 6.154 502 HB3 LEU 67 2HB LEU 67 -7.972 2.167 6.525 503 HG LEU 67 HG LEU 67 -8.221 4.172 4.314 504 HD11 LEU 67 1HD1 LEU 67 -7.564 5.893 6.021 505 HD12 LEU 67 2HD1 LEU 67 -8.038 4.735 7.264 506 HD13 LEU 67 3HD1 LEU 67 -9.235 5.334 6.117 507 HD21 LEU 67 1HD2 LEU 67 -6.022 3.899 4.223 508 HD22 LEU 67 2HD2 LEU 67 -6.135 2.663 5.476 509 HD23 LEU 67 3HD2 LEU 67 -5.873 4.350 5.922 510 H GLN 68 H GLN 68 -10.249 0.717 6.563 511 HA GLN 68 HA GLN 68 -8.877 -1.456 7.530 512 HB2 GLN 68 1HB GLN 68 -10.973 -2.234 8.465 513 HB3 GLN 68 2HB GLN 68 -10.892 -0.481 8.580 514 HG2 GLN 68 1HG GLN 68 -12.292 -0.349 6.528 515 HG3 GLN 68 2HG GLN 68 -12.472 -2.101 6.599 516 HE21 GLN 68 1HE2 GLN 68 -14.619 -2.204 6.995 517 HE22 GLN 68 2HE2 GLN 68 -15.372 -1.591 8.424 518 H ASN 69 H ASN 69 -11.067 -1.315 4.772 519 HA ASN 69 HA ASN 69 -11.426 -4.003 4.253 520 HB2 ASN 69 1HB ASN 69 -12.351 -1.898 3.031 521 HB3 ASN 69 2HB ASN 69 -10.928 -2.072 2.008 522 HD21 ASN 69 1HD2 ASN 69 -10.985 -3.479 0.384 523 HD22 ASN 69 2HD2 ASN 69 -12.246 -4.626 0.104 524 H ALA 70 H ALA 70 -8.869 -1.913 2.906 525 HA ALA 70 HA ALA 70 -7.461 -3.957 1.598 526 HB1 ALA 70 1HB ALA 70 -5.562 -2.356 1.594 527 HB2 ALA 70 2HB ALA 70 -7.078 -1.657 1.023 528 HB3 ALA 70 3HB ALA 70 -6.501 -1.300 2.650 529 H PHE 71 H PHE 71 -6.830 -2.421 4.753 530 HA PHE 71 HA PHE 71 -4.609 -3.851 5.521 531 HB2 PHE 71 1HB PHE 71 -6.905 -2.890 7.239 532 HB3 PHE 71 2HB PHE 71 -5.355 -3.440 7.868 533 HD1 PHE 71 2HD PHE 71 -3.512 -2.222 5.897 534 HD2 PHE 71 1HD PHE 71 -6.961 -0.642 7.826 535 HE1 PHE 71 2HE PHE 71 -2.605 0.052 5.649 536 HE2 PHE 71 1HE PHE 71 -6.060 1.634 7.580 537 HZ PHE 71 HZ PHE 71 -3.879 1.984 6.491 538 H ASN 72 H ASN 72 -8.017 -4.732 6.019 539 HA ASN 72 HA ASN 72 -7.499 -7.171 7.342 540 HB2 ASN 72 1HB ASN 72 -9.918 -6.256 5.770 541 HB3 ASN 72 2HB ASN 72 -9.869 -7.714 6.757 542 HD21 ASN 72 1HD2 ASN 72 -11.009 -4.732 6.755 543 HD22 ASN 72 2HD2 ASN 72 -10.937 -4.347 8.438 544 H LEU 73 H LEU 73 -8.490 -6.548 3.971 545 HA LEU 73 HA LEU 73 -8.421 -9.113 2.994 546 HB2 LEU 73 1HB LEU 73 -7.942 -6.435 1.807 547 HB3 LEU 73 2HB LEU 73 -7.503 -7.845 0.846 548 HG LEU 73 HG LEU 73 -10.253 -7.277 1.953 549 HD11 LEU 73 1HD1 LEU 73 -9.180 -7.023 -0.853 550 HD12 LEU 73 2HD1 LEU 73 -9.637 -5.692 0.210 551 HD13 LEU 73 3HD1 LEU 73 -10.864 -6.820 -0.367 552 HD21 LEU 73 1HD2 LEU 73 -9.135 -9.696 1.209 553 HD22 LEU 73 2HD2 LEU 73 -10.019 -9.177 -0.228 554 HD23 LEU 73 3HD2 LEU 73 -10.857 -9.326 1.318 555 H ALA 74 H ALA 74 -5.706 -6.826 3.193 556 HA ALA 74 HA ALA 74 -3.793 -8.663 2.146 557 HB1 ALA 74 1HB ALA 74 -3.784 -5.932 3.202 558 HB2 ALA 74 2HB ALA 74 -2.301 -6.837 3.507 559 HB3 ALA 74 3HB ALA 74 -2.887 -6.634 1.855 560 H GLU 75 H GLU 75 -4.858 -7.773 5.379 561 HA GLU 75 HA GLU 75 -2.796 -9.154 6.768 562 HB2 GLU 75 1HB GLU 75 -4.072 -7.366 7.833 563 HB3 GLU 75 2HB GLU 75 -5.550 -8.306 7.684 564 HG2 GLU 75 1HG GLU 75 -3.184 -9.316 9.222 565 HG3 GLU 75 2HG GLU 75 -4.394 -8.262 9.951 566 H LYS 76 H LYS 76 -5.567 -10.191 5.100 567 HA LYS 76 HA LYS 76 -5.629 -12.748 6.543 568 HB2 LYS 76 1HB LYS 76 -7.765 -11.440 6.174 569 HB3 LYS 76 2HB LYS 76 -7.585 -11.779 4.457 570 HG2 LYS 76 1HG LYS 76 -7.518 -14.068 6.348 571 HG3 LYS 76 2HG LYS 76 -9.068 -13.290 6.024 572 HD2 LYS 76 1HD LYS 76 -7.297 -14.050 3.742 573 HD3 LYS 76 2HD LYS 76 -8.260 -15.292 4.547 574 HE2 LYS 76 1HE LYS 76 -9.413 -12.726 3.471 575 HE3 LYS 76 2HE LYS 76 -9.333 -14.221 2.540 576 HZ1 LYS 76 1HZ LYS 76 -10.656 -15.298 4.281 577 HZ2 LYS 76 2HZ LYS 76 -11.482 -14.005 3.568 578 HZ3 LYS 76 3HZ LYS 76 -10.786 -13.823 5.099 579 H GLU 77 H GLU 77 -5.869 -11.592 3.172 580 HA GLU 77 HA GLU 77 -5.236 -14.071 2.004 581 HB2 GLU 77 1HB GLU 77 -5.094 -11.243 0.980 582 HB3 GLU 77 2HB GLU 77 -4.656 -12.619 -0.022 583 HG2 GLU 77 1HG GLU 77 -7.334 -12.278 1.306 584 HG3 GLU 77 2HG GLU 77 -6.977 -11.805 -0.354 585 H LEU 78 H LEU 78 -3.177 -11.162 1.947 586 HA LEU 78 HA LEU 78 -0.822 -12.535 1.295 587 HB2 LEU 78 1HB LEU 78 -0.985 -9.936 2.803 588 HB3 LEU 78 2HB LEU 78 0.338 -10.505 1.789 589 HG LEU 78 HG LEU 78 -2.408 -9.799 0.760 590 HD11 LEU 78 1HD1 LEU 78 0.129 -8.172 0.652 591 HD12 LEU 78 2HD1 LEU 78 -1.243 -7.845 1.710 592 HD13 LEU 78 3HD1 LEU 78 -1.435 -7.739 -0.039 593 HD21 LEU 78 1HD2 LEU 78 -1.734 -10.703 -1.149 594 HD22 LEU 78 2HD2 LEU 78 -0.232 -11.213 -0.378 595 HD23 LEU 78 3HD2 LEU 78 -0.327 -9.640 -1.172 596 H GLY 79 H GLY 79 -1.964 -11.319 4.444 597 HA2 GLY 79 1HA GLY 79 -1.713 -12.614 6.445 598 HA3 GLY 79 2HA GLY 79 -0.301 -13.378 5.729 599 H LEU 80 H LEU 80 -0.952 -9.919 5.737 600 HA LEU 80 HA LEU 80 1.584 -9.483 7.097 601 HB2 LEU 80 1HB LEU 80 -0.352 -7.574 5.798 602 HB3 LEU 80 2HB LEU 80 1.175 -7.100 6.539 603 HG LEU 80 HG LEU 80 1.049 -9.045 4.250 604 HD11 LEU 80 1HD1 LEU 80 1.632 -7.090 2.812 605 HD12 LEU 80 2HD1 LEU 80 1.187 -6.039 4.156 606 HD13 LEU 80 3HD1 LEU 80 -0.025 -7.086 3.418 607 HD21 LEU 80 1HD2 LEU 80 3.367 -7.498 4.193 608 HD22 LEU 80 2HD2 LEU 80 3.221 -9.182 4.700 609 HD23 LEU 80 3HD2 LEU 80 3.117 -7.888 5.895 610 H THR 81 H THR 81 1.828 -8.424 9.038 611 HA THR 81 HA THR 81 -0.425 -8.567 10.834 612 HB THR 81 HB THR 81 2.413 -7.648 11.334 613 HG1 THR 81 1HG THR 81 2.365 -9.791 12.462 614 HG21 THR 81 1HG2 THR 81 1.883 -7.210 13.473 615 HG22 THR 81 2HG2 THR 81 0.824 -8.615 13.591 616 HG23 THR 81 3HG2 THR 81 0.221 -7.112 12.892 617 H LYS 82 H LYS 82 -1.884 -6.982 10.792 618 HA LYS 82 HA LYS 82 -1.632 -4.441 9.774 619 HB2 LYS 82 1HB LYS 82 -3.451 -5.709 11.755 620 HB3 LYS 82 2HB LYS 82 -3.469 -3.954 11.655 621 HG2 LYS 82 1HG LYS 82 -3.894 -4.160 9.213 622 HG3 LYS 82 2HG LYS 82 -4.040 -5.906 9.436 623 HD2 LYS 82 1HD LYS 82 -5.674 -4.133 11.176 624 HD3 LYS 82 2HD LYS 82 -6.153 -4.304 9.486 625 HE2 LYS 82 1HE LYS 82 -7.327 -6.035 10.406 626 HE3 LYS 82 2HE LYS 82 -5.823 -6.866 10.009 627 HZ1 LYS 82 1HZ LYS 82 -5.765 -7.455 12.135 628 HZ2 LYS 82 2HZ LYS 82 -7.006 -6.388 12.562 629 HZ3 LYS 82 3HZ LYS 82 -5.404 -5.845 12.509 630 H LEU 83 H LEU 83 -0.073 -3.038 10.280 631 HA LEU 83 HA LEU 83 0.877 -2.796 13.014 632 HB2 LEU 83 1HB LEU 83 1.735 -1.246 10.579 633 HB3 LEU 83 2HB LEU 83 2.583 -1.360 12.120 634 HG LEU 83 HG LEU 83 2.166 -3.659 10.210 635 HD11 LEU 83 1HD1 LEU 83 4.077 -3.150 9.165 636 HD12 LEU 83 2HD1 LEU 83 4.875 -2.657 10.658 637 HD13 LEU 83 3HD1 LEU 83 3.823 -1.528 9.807 638 HD21 LEU 83 1HD2 LEU 83 2.965 -3.521 12.952 639 HD22 LEU 83 2HD2 LEU 83 4.326 -4.067 11.971 640 HD23 LEU 83 3HD2 LEU 83 2.791 -4.936 11.913 641 H LEU 84 H LEU 84 -0.734 -0.793 10.575 642 HA LEU 84 HA LEU 84 -1.219 1.260 12.614 643 HB2 LEU 84 1HB LEU 84 -1.637 1.369 9.630 644 HB3 LEU 84 2HB LEU 84 -1.851 2.709 10.755 645 HG LEU 84 HG LEU 84 0.796 1.337 10.325 646 HD11 LEU 84 1HD1 LEU 84 0.806 3.889 9.146 647 HD12 LEU 84 2HD1 LEU 84 -0.625 3.059 8.535 648 HD13 LEU 84 3HD1 LEU 84 0.967 2.323 8.349 649 HD21 LEU 84 1HD2 LEU 84 1.685 3.383 11.311 650 HD22 LEU 84 2HD2 LEU 84 0.550 2.594 12.407 651 HD23 LEU 84 3HD2 LEU 84 0.050 4.017 11.493 652 H ASP 85 H ASP 85 -3.459 2.462 11.864 653 HA ASP 85 HA ASP 85 -5.524 0.369 11.735 654 HB2 ASP 85 1HB ASP 85 -5.177 2.547 13.754 655 HB3 ASP 85 2HB ASP 85 -6.809 2.054 13.309 656 HA PRO 86 HA PRO 86 -7.436 2.808 8.626 657 HB2 PRO 86 1HB PRO 86 -10.049 2.187 9.019 658 HB3 PRO 86 2HB PRO 86 -8.887 1.054 8.319 659 HG2 PRO 86 1HG PRO 86 -9.901 1.230 11.129 660 HG3 PRO 86 2HG PRO 86 -9.644 -0.206 10.120 661 HD2 PRO 86 1HD PRO 86 -7.885 0.567 12.027 662 HD3 PRO 86 2HD PRO 86 -7.378 -0.247 10.533 663 H GLU 87 H GLU 87 -7.667 3.548 11.848 664 HA GLU 87 HA GLU 87 -9.384 5.887 11.341 665 HB2 GLU 87 1HB GLU 87 -9.699 5.960 13.811 666 HB3 GLU 87 2HB GLU 87 -10.332 4.500 13.063 667 HG2 GLU 87 1HG GLU 87 -8.431 3.232 13.807 668 HG3 GLU 87 2HG GLU 87 -7.663 4.688 14.439 669 H ASP 88 H ASP 88 -6.334 4.774 12.676 670 HA ASP 88 HA ASP 88 -5.470 7.292 13.665 671 HB2 ASP 88 1HB ASP 88 -4.174 4.659 13.110 672 HB3 ASP 88 2HB ASP 88 -3.141 6.067 13.337 673 H VAL 89 H VAL 89 -4.832 5.529 10.648 674 HA VAL 89 HA VAL 89 -3.085 7.425 9.519 675 HB VAL 89 HB VAL 89 -4.906 5.449 8.137 676 HG11 VAL 89 1HG1 VAL 89 -3.258 7.542 7.078 677 HG12 VAL 89 2HG1 VAL 89 -2.624 5.970 6.585 678 HG13 VAL 89 3HG1 VAL 89 -4.297 6.402 6.225 679 HG21 VAL 89 1HG2 VAL 89 -2.841 4.096 7.952 680 HG22 VAL 89 2HG2 VAL 89 -2.008 5.280 8.959 681 HG23 VAL 89 3HG2 VAL 89 -3.352 4.348 9.620 682 H ASN 90 H ASN 90 -6.590 6.956 9.128 683 HA ASN 90 HA ASN 90 -7.065 8.979 7.280 684 HB2 ASN 90 1HB ASN 90 -8.769 7.342 7.850 685 HB3 ASN 90 2HB ASN 90 -8.854 7.960 9.496 686 HD21 ASN 90 1HD2 ASN 90 -11.109 7.768 7.996 687 HD22 ASN 90 2HD2 ASN 90 -11.675 9.344 7.572 688 H VAL 91 H VAL 91 -5.862 10.820 7.739 689 HA VAL 91 HA VAL 91 -7.114 12.677 9.536 690 HB VAL 91 HB VAL 91 -5.569 11.415 11.050 691 HG11 VAL 91 1HG1 VAL 91 -3.589 10.856 10.179 692 HG12 VAL 91 2HG1 VAL 91 -3.692 12.099 8.929 693 HG13 VAL 91 3HG1 VAL 91 -3.103 12.513 10.539 694 HG21 VAL 91 1HG2 VAL 91 -6.226 13.607 11.700 695 HG22 VAL 91 2HG2 VAL 91 -4.491 13.479 11.991 696 HG23 VAL 91 3HG2 VAL 91 -5.086 14.350 10.578 697 H ASP 92 H ASP 92 -6.355 14.846 9.259 698 HA ASP 92 HA ASP 92 -5.868 15.632 6.677 699 HB2 ASP 92 1HB ASP 92 -5.409 16.953 9.325 700 HB3 ASP 92 2HB ASP 92 -4.844 17.748 7.858 701 H GLN 93 H GLN 93 -3.434 15.365 9.268 702 HA GLN 93 HA GLN 93 -1.407 14.893 7.195 703 HB2 GLN 93 1HB GLN 93 -1.158 16.779 9.542 704 HB3 GLN 93 2HB GLN 93 0.198 16.257 8.550 705 HG2 GLN 93 1HG GLN 93 -0.891 17.249 6.581 706 HG3 GLN 93 2HG GLN 93 -2.197 17.821 7.616 707 HE21 GLN 93 1HE2 GLN 93 -2.006 19.773 8.461 708 HE22 GLN 93 2HE2 GLN 93 -0.549 20.695 8.556 709 HA PRO 94 HA PRO 94 -1.211 11.542 10.320 710 HB2 PRO 94 1HB PRO 94 -0.493 9.633 8.527 711 HB3 PRO 94 2HB PRO 94 -2.174 10.100 8.812 712 HG2 PRO 94 1HG PRO 94 -0.317 10.945 6.620 713 HG3 PRO 94 2HG PRO 94 -2.027 10.485 6.523 714 HD2 PRO 94 1HD PRO 94 -1.211 13.066 6.516 715 HD3 PRO 94 2HD PRO 94 -2.755 12.555 7.228 716 H ASP 95 H ASP 95 0.672 9.681 10.212 717 HA ASP 95 HA ASP 95 3.168 11.226 10.222 718 HB2 ASP 95 1HB ASP 95 2.245 8.782 11.705 719 HB3 ASP 95 2HB ASP 95 3.963 9.142 11.556 720 H GLU 96 H GLU 96 3.615 11.077 7.997 721 HA GLU 96 HA GLU 96 3.550 8.967 6.306 722 HB2 GLU 96 1HB GLU 96 5.552 9.924 5.181 723 HB3 GLU 96 2HB GLU 96 4.321 11.121 5.558 724 HG2 GLU 96 1HG GLU 96 5.579 12.033 7.306 725 HG3 GLU 96 2HG GLU 96 6.656 10.639 7.373 726 H LYS 97 H LYS 97 5.784 9.434 8.953 727 HA LYS 97 HA LYS 97 7.619 7.390 8.228 728 HB2 LYS 97 1HB LYS 97 7.010 8.745 10.854 729 HB3 LYS 97 2HB LYS 97 8.270 7.530 10.678 730 HG2 LYS 97 1HG LYS 97 8.170 10.059 9.053 731 HG3 LYS 97 2HG LYS 97 9.047 9.906 10.577 732 HD2 LYS 97 1HD LYS 97 10.637 8.520 9.680 733 HD3 LYS 97 2HD LYS 97 9.543 7.884 8.449 734 HE2 LYS 97 1HE LYS 97 9.804 9.766 7.084 735 HE3 LYS 97 2HE LYS 97 10.464 10.738 8.398 736 HZ1 LYS 97 1HZ LYS 97 12.264 10.161 7.018 737 HZ2 LYS 97 2HZ LYS 97 11.792 8.540 6.922 738 HZ3 LYS 97 3HZ LYS 97 12.400 9.159 8.374 739 H SER 98 H SER 98 4.715 7.470 10.231 740 HA SER 98 HA SER 98 4.990 4.775 11.151 741 HB2 SER 98 1HB SER 98 2.777 6.812 11.249 742 HB3 SER 98 2HB SER 98 2.502 5.149 11.768 743 HG SER 98 HG SER 98 3.552 5.561 13.536 744 H ILE 99 H ILE 99 3.947 6.186 8.249 745 HA ILE 99 HA ILE 99 2.254 3.919 7.521 746 HB ILE 99 HB ILE 99 2.883 6.466 6.025 747 HG12 ILE 99 1HG1 ILE 99 0.249 5.587 7.204 748 HG13 ILE 99 2HG1 ILE 99 1.410 6.553 8.108 749 HG21 ILE 99 1HG2 ILE 99 1.451 5.794 4.311 750 HG22 ILE 99 2HG2 ILE 99 2.406 4.352 4.655 751 HG23 ILE 99 3HG2 ILE 99 0.759 4.488 5.274 752 HD11 ILE 99 1HD1 ILE 99 0.056 8.184 7.273 753 HD12 ILE 99 2HD1 ILE 99 1.271 8.103 5.998 754 HD13 ILE 99 3HD1 ILE 99 -0.283 7.298 5.787 755 H ILE 100 H ILE 100 5.114 5.633 6.265 756 HA ILE 100 HA ILE 100 5.786 4.146 4.107 757 HB ILE 100 HB ILE 100 7.635 5.201 6.242 758 HG12 ILE 100 1HG1 ILE 100 7.356 6.315 3.481 759 HG13 ILE 100 2HG1 ILE 100 6.100 6.663 4.665 760 HG21 ILE 100 1HG2 ILE 100 8.674 3.344 4.968 761 HG22 ILE 100 2HG2 ILE 100 8.393 4.254 3.484 762 HG23 ILE 100 3HG2 ILE 100 9.472 4.896 4.721 763 HD11 ILE 100 1HD1 ILE 100 8.972 7.143 5.326 764 HD12 ILE 100 2HD1 ILE 100 8.057 8.312 4.374 765 HD13 ILE 100 3HD1 ILE 100 7.526 7.890 6.003 766 H THR 101 H THR 101 6.622 3.318 7.466 767 HA THR 101 HA THR 101 8.013 0.967 6.991 768 HB THR 101 HB THR 101 6.161 1.413 9.337 769 HG1 THR 101 1HG THR 101 8.416 2.146 10.167 770 HG21 THR 101 1HG2 THR 101 7.366 -0.850 8.854 771 HG22 THR 101 2HG2 THR 101 7.408 -0.170 10.482 772 HG23 THR 101 3HG2 THR 101 8.801 0.007 9.415 773 H TYR 102 H TYR 102 4.525 1.388 7.562 774 HA TYR 102 HA TYR 102 3.786 -1.295 7.429 775 HB2 TYR 102 1HB TYR 102 2.346 0.669 8.127 776 HB3 TYR 102 2HB TYR 102 2.106 1.000 6.414 777 HD1 TYR 102 2HD TYR 102 1.459 -1.310 5.075 778 HD2 TYR 102 1HD TYR 102 0.604 -0.427 9.148 779 HE1 TYR 102 2HE TYR 102 -0.407 -2.911 5.025 780 HE2 TYR 102 1HE TYR 102 -1.263 -2.026 9.110 781 HH TYR 102 HH TYR 102 -1.970 -3.999 7.835 782 H VAL 103 H VAL 103 3.362 1.098 4.815 783 HA VAL 103 HA VAL 103 2.707 -0.627 2.779 784 HB VAL 103 HB VAL 103 2.600 1.783 2.495 785 HG11 VAL 103 1HG1 VAL 103 4.488 2.587 3.654 786 HG12 VAL 103 2HG1 VAL 103 5.597 1.622 2.678 787 HG13 VAL 103 3HG1 VAL 103 4.763 3.002 1.962 788 HG21 VAL 103 1HG2 VAL 103 2.555 1.089 0.364 789 HG22 VAL 103 2HG2 VAL 103 4.193 1.740 0.276 790 HG23 VAL 103 3HG2 VAL 103 3.941 0.021 0.581 791 H ALA 104 H ALA 104 5.898 0.154 4.035 792 HA ALA 104 HA ALA 104 7.579 -0.804 2.109 793 HB1 ALA 104 1HB ALA 104 9.194 -0.749 3.685 794 HB2 ALA 104 2HB ALA 104 7.935 0.047 4.630 795 HB3 ALA 104 3HB ALA 104 8.246 -1.676 4.847 796 H THR 105 H THR 105 5.647 -2.675 4.383 797 HA THR 105 HA THR 105 6.784 -5.197 3.925 798 HB THR 105 HB THR 105 4.704 -6.142 4.798 799 HG1 THR 105 1HG THR 105 3.741 -3.575 4.172 800 HG21 THR 105 1HG2 THR 105 5.594 -5.581 6.766 801 HG22 THR 105 2HG2 THR 105 4.612 -4.115 6.727 802 HG23 THR 105 3HG2 THR 105 6.260 -4.091 6.098 803 H TYR 106 H TYR 106 4.131 -3.512 2.289 804 HA TYR 106 HA TYR 106 3.241 -5.549 0.634 805 HB2 TYR 106 1HB TYR 106 3.281 -2.567 0.409 806 HB3 TYR 106 2HB TYR 106 2.788 -3.520 -0.987 807 HD1 TYR 106 1HD TYR 106 2.124 -4.485 2.513 808 HD2 TYR 106 2HD TYR 106 0.511 -2.807 -1.050 809 HE1 TYR 106 1HE TYR 106 -0.141 -4.681 3.452 810 HE2 TYR 106 2HE TYR 106 -1.758 -2.998 -0.119 811 HH TYR 106 HH TYR 106 -2.300 -4.257 3.157 812 H TYR 107 H TYR 107 5.996 -3.388 0.255 813 HA TYR 107 HA TYR 107 6.626 -4.238 -2.399 814 HB2 TYR 107 1HB TYR 107 7.439 -2.106 -1.864 815 HB3 TYR 107 2HB TYR 107 8.066 -2.633 -0.306 816 HD1 TYR 107 2HD TYR 107 8.618 -2.865 -3.965 817 HD2 TYR 107 1HD TYR 107 10.292 -3.376 -0.087 818 HE1 TYR 107 2HE TYR 107 10.842 -3.169 -4.972 819 HE2 TYR 107 1HE TYR 107 12.520 -3.681 -1.082 820 HH TYR 107 HH TYR 107 13.069 -4.418 -4.172 821 H HIS 108 H HIS 108 8.134 -4.858 0.771 822 HA HIS 108 HA HIS 108 10.067 -6.670 -0.100 823 HB2 HIS 108 1HB HIS 108 8.684 -6.258 2.537 824 HB3 HIS 108 2HB HIS 108 9.849 -7.561 2.327 825 HD1 HIS 108 1HD HIS 108 12.332 -6.905 2.074 826 HD2 HIS 108 2HD HIS 108 9.770 -3.675 2.601 827 HE1 HIS 108 1HE HIS 108 13.820 -4.941 2.577 828 HE2 HIS 108 2HE HIS 108 12.244 -3.018 2.976 829 H TYR 109 H TYR 109 6.928 -7.424 1.423 830 HA TYR 109 HA TYR 109 6.924 -10.138 1.250 831 HB2 TYR 109 1HB TYR 109 5.078 -9.059 2.294 832 HB3 TYR 109 2HB TYR 109 4.658 -8.193 0.820 833 HD1 TYR 109 1HD TYR 109 3.605 -9.406 -1.068 834 HD2 TYR 109 2HD TYR 109 4.314 -11.288 2.681 835 HE1 TYR 109 1HE TYR 109 2.025 -11.192 -1.672 836 HE2 TYR 109 2HE TYR 109 2.738 -13.080 2.087 837 HH TYR 109 HH TYR 109 0.768 -12.910 -0.802 838 H PHE 110 H PHE 110 5.341 -8.129 -1.237 839 HA PHE 110 HA PHE 110 5.015 -10.119 -3.132 840 HB2 PHE 110 1HB PHE 110 5.131 -7.149 -3.214 841 HB3 PHE 110 2HB PHE 110 5.274 -8.001 -4.749 842 HD1 PHE 110 2HD PHE 110 3.462 -9.864 -5.146 843 HD2 PHE 110 1HD PHE 110 3.039 -6.603 -2.444 844 HE1 PHE 110 2HE PHE 110 1.015 -10.109 -5.238 845 HE2 PHE 110 1HE PHE 110 0.592 -6.843 -2.530 846 HZ PHE 110 HZ PHE 110 -0.423 -8.598 -3.929 847 H SER 111 H SER 111 7.764 -7.955 -2.622 848 HA SER 111 HA SER 111 9.267 -8.571 -4.869 849 HB2 SER 111 1HB SER 111 9.847 -6.776 -3.277 850 HB3 SER 111 2HB SER 111 10.302 -7.991 -2.083 851 HG SER 111 HG SER 111 12.113 -8.346 -3.121 852 H LYS 112 H LYS 112 9.307 -10.155 -1.685 853 HA LYS 112 HA LYS 112 11.266 -12.000 -1.953 854 HB2 LYS 112 1HB LYS 112 8.500 -12.460 -0.822 855 HB3 LYS 112 2HB LYS 112 9.866 -13.540 -0.570 856 HG2 LYS 112 1HG LYS 112 10.137 -10.662 0.153 857 HG3 LYS 112 2HG LYS 112 9.238 -11.745 1.217 858 HD2 LYS 112 1HD LYS 112 11.324 -11.999 2.106 859 HD3 LYS 112 2HD LYS 112 11.385 -13.261 0.873 860 HE2 LYS 112 1HE LYS 112 12.731 -11.998 -0.532 861 HE3 LYS 112 2HE LYS 112 12.266 -10.476 0.227 862 HZ1 LYS 112 1HZ LYS 112 13.991 -10.623 1.584 863 HZ2 LYS 112 2HZ LYS 112 14.512 -12.004 0.759 864 HZ3 LYS 112 3HZ LYS 112 13.519 -12.157 2.120 865 H MET 113 H MET 113 8.005 -12.260 -3.323 866 HA MET 113 HA MET 113 8.026 -14.799 -4.331 867 HB2 MET 113 1HB MET 113 6.963 -12.296 -5.651 868 HB3 MET 113 2HB MET 113 6.574 -13.932 -6.169 869 HG2 MET 113 1HG MET 113 5.785 -14.261 -3.732 870 HG3 MET 113 2HG MET 113 5.769 -12.501 -3.674 871 HE1 MET 113 1HE MET 113 2.600 -15.207 -4.930 872 HE2 MET 113 2HE MET 113 4.009 -15.386 -3.886 873 HE3 MET 113 3HE MET 113 2.701 -14.297 -3.423 874 H LYS 114 H LYS 114 8.299 -15.499 -6.638 875 HA LYS 114 HA LYS 114 10.832 -15.636 -7.479 876 HB2 LYS 114 1HB LYS 114 8.601 -16.556 -8.532 877 HB3 LYS 114 2HB LYS 114 8.788 -15.183 -9.616 878 HG2 LYS 114 1HG LYS 114 10.988 -15.993 -10.280 879 HG3 LYS 114 2HG LYS 114 10.821 -17.361 -9.178 880 HD2 LYS 114 1HD LYS 114 8.762 -16.855 -11.294 881 HD3 LYS 114 2HD LYS 114 10.271 -17.682 -11.692 882 HE2 LYS 114 1HE LYS 114 8.486 -18.551 -9.432 883 HE3 LYS 114 2HE LYS 114 8.290 -19.148 -11.079 884 HZ1 LYS 114 1HZ LYS 114 10.994 -19.322 -10.143 885 HZ2 LYS 114 2HZ LYS 114 10.018 -20.510 -10.849 886 HZ3 LYS 114 3HZ LYS 114 9.921 -20.215 -9.187 887 H ALA 115 H ALA 115 12.210 -13.947 -7.409 888 HA ALA 115 HA ALA 115 11.930 -11.909 -9.451 889 HB1 ALA 115 1HB ALA 115 12.448 -10.915 -6.678 890 HB2 ALA 115 2HB ALA 115 11.890 -10.031 -8.098 891 HB3 ALA 115 3HB ALA 115 10.796 -11.129 -7.257 892 H LEU 116 H LEU 116 13.819 -12.088 -10.460 893 HA LEU 116 HA LEU 116 16.202 -12.950 -9.103 894 HB2 LEU 116 1HB LEU 116 17.257 -12.576 -11.347 895 HB3 LEU 116 2HB LEU 116 15.926 -13.730 -11.313 896 HG LEU 116 HG LEU 116 14.438 -12.005 -12.255 897 HD11 LEU 116 1HD1 LEU 116 15.859 -10.058 -13.339 898 HD12 LEU 116 2HD1 LEU 116 16.883 -10.350 -11.934 899 HD13 LEU 116 3HD1 LEU 116 15.187 -9.923 -11.714 900 HD21 LEU 116 1HD2 LEU 116 15.060 -13.146 -14.073 901 HD22 LEU 116 2HD2 LEU 116 16.755 -13.175 -13.590 902 HD23 LEU 116 3HD2 LEU 116 16.099 -11.765 -14.421 903 H ALA 117 H ALA 117 18.222 -11.759 -9.130 904 HA ALA 117 HA ALA 117 18.394 -9.012 -9.733 905 HB1 ALA 117 1HB ALA 117 17.189 -8.224 -8.002 906 HB2 ALA 117 2HB ALA 117 17.372 -9.705 -7.061 907 HB3 ALA 117 3HB ALA 117 18.674 -8.516 -7.095 908 H VAL 118 H VAL 118 20.360 -8.008 -8.501 909 HA VAL 118 HA VAL 118 22.586 -9.699 -9.001 910 HB VAL 118 HB VAL 118 22.651 -7.236 -9.286 911 HG11 VAL 118 1HG1 VAL 118 22.830 -7.111 -6.282 912 HG12 VAL 118 2HG1 VAL 118 22.820 -5.760 -7.417 913 HG13 VAL 118 3HG1 VAL 118 21.369 -6.740 -7.196 914 HG21 VAL 118 1HG2 VAL 118 24.650 -8.727 -7.666 915 HG22 VAL 118 2HG2 VAL 118 24.784 -8.065 -9.295 916 HG23 VAL 118 3HG2 VAL 118 24.882 -6.993 -7.897 917 H GLU 119 H GLU 119 23.576 -11.094 -7.701 918 HA GLU 119 HA GLU 119 22.670 -11.489 -5.015 919 HB2 GLU 119 1HB GLU 119 24.320 -13.313 -4.959 920 HB3 GLU 119 2HB GLU 119 23.305 -13.393 -6.392 921 HG2 GLU 119 1HG GLU 119 25.021 -12.781 -7.807 922 HG3 GLU 119 2HG GLU 119 25.950 -12.017 -6.518 923 H GLY 120 H GLY 120 24.335 -11.791 -3.220 924 HA2 GLY 120 1HA GLY 120 26.789 -10.455 -3.197 925 HA3 GLY 120 2HA GLY 120 25.560 -9.303 -2.698 926 H LYS 121 H LYS 121 26.622 -9.194 -0.647 927 HA LYS 121 HA LYS 121 26.942 -11.463 1.024 928 HB2 LYS 121 1HB LYS 121 27.482 -9.920 2.760 929 HB3 LYS 121 2HB LYS 121 28.144 -9.265 1.269 930 HG2 LYS 121 1HG LYS 121 26.247 -7.738 1.091 931 HG3 LYS 121 2HG LYS 121 25.576 -8.399 2.583 932 HD2 LYS 121 1HD LYS 121 26.698 -6.387 3.165 933 HD3 LYS 121 2HD LYS 121 27.717 -7.717 3.720 934 HE2 LYS 121 1HE LYS 121 29.246 -7.419 1.959 935 HE3 LYS 121 2HE LYS 121 28.124 -6.411 1.046 936 HZ1 LYS 121 1HZ LYS 121 30.100 -5.551 2.755 937 HZ2 LYS 121 2HZ LYS 121 28.658 -5.285 3.597 938 HZ3 LYS 121 3HZ LYS 121 28.877 -4.608 2.063 939 H SER 122 H SER 122 25.758 -12.002 2.934 940 HA SER 122 HA SER 122 22.958 -12.059 2.549 941 HB2 SER 122 1HB SER 122 24.470 -13.705 3.860 942 HB3 SER 122 2HB SER 122 24.270 -12.583 5.206 943 HG SER 122 HG SER 122 22.318 -13.304 5.483 944 H GLY 123 H GLY 123 24.997 -10.290 4.869 945 HA2 GLY 123 1HA GLY 123 24.549 -8.029 5.488 946 HA3 GLY 123 2HA GLY 123 22.857 -8.290 5.090 947 HA PRO 124 HA PRO 124 23.982 -9.124 9.706 948 HB2 PRO 124 1HB PRO 124 23.780 -6.637 10.777 949 HB3 PRO 124 2HB PRO 124 25.308 -7.314 10.200 950 HG2 PRO 124 1HG PRO 124 23.444 -5.411 8.834 951 HG3 PRO 124 2HG PRO 124 25.215 -5.374 8.920 952 HD2 PRO 124 1HD PRO 124 23.880 -6.289 6.749 953 HD3 PRO 124 2HD PRO 124 25.454 -6.941 7.247 954 H SER 125 H SER 125 22.529 -8.220 11.637 955 HA SER 125 HA SER 125 19.839 -7.556 10.747 956 HB2 SER 125 1HB SER 125 20.363 -10.041 12.394 957 HB3 SER 125 2HB SER 125 18.795 -9.454 11.838 958 HG SER 125 HG SER 125 20.089 -9.634 9.661 959 H SER 126 H SER 126 18.374 -7.134 12.598 960 HA SER 126 HA SER 126 19.790 -6.445 15.074 961 HB2 SER 126 1HB SER 126 18.607 -4.256 15.132 962 HB3 SER 126 2HB SER 126 19.733 -4.387 13.781 963 HG SER 126 HG SER 126 17.657 -3.524 13.202 964 H GLY 127 H GLY 127 18.268 -5.925 16.869 965 HA2 GLY 127 1HA GLY 127 16.684 -6.907 18.259 966 HA3 GLY 127 2HA GLY 127 15.611 -6.198 17.063 Start of MODEL 5 1 H1 GLY 1 H GLY 1 10.434 16.840 13.846 2 HA2 GLY 1 1HA GLY 1 11.635 19.285 13.690 3 HA3 GLY 1 2HA GLY 1 12.380 18.546 15.099 4 H SER 2 H SER 2 12.984 19.163 12.028 5 HA SER 2 HA SER 2 14.401 16.618 11.574 6 HB2 SER 2 1HB SER 2 14.191 16.961 9.201 7 HB3 SER 2 2HB SER 2 12.590 17.158 9.913 8 HG SER 2 HG SER 2 12.898 19.413 9.807 9 H SER 3 H SER 3 16.382 16.899 10.164 10 HA SER 3 HA SER 3 17.815 19.347 10.965 11 HB2 SER 3 1HB SER 3 18.607 17.268 12.100 12 HB3 SER 3 2HB SER 3 19.013 16.602 10.518 13 HG SER 3 HG SER 3 20.732 17.825 10.444 14 H GLY 4 H GLY 4 17.524 16.844 8.470 15 HA2 GLY 4 1HA GLY 4 17.450 18.391 6.254 16 HA3 GLY 4 2HA GLY 4 19.169 18.323 6.610 17 H SER 5 H SER 5 16.870 16.991 4.746 18 HA SER 5 HA SER 5 18.166 14.344 4.721 19 HB2 SER 5 1HB SER 5 16.082 13.506 3.667 20 HB3 SER 5 2HB SER 5 15.795 14.187 5.268 21 HG SER 5 HG SER 5 14.256 15.100 4.042 22 H SER 6 H SER 6 19.205 13.716 2.933 23 HA SER 6 HA SER 6 19.400 15.582 0.724 24 HB2 SER 6 1HB SER 6 20.816 12.941 1.158 25 HB3 SER 6 2HB SER 6 21.218 14.146 -0.065 26 HG SER 6 HG SER 6 22.555 14.694 1.519 27 H GLY 7 H GLY 7 18.932 12.044 0.899 28 HA2 GLY 7 1HA GLY 7 16.732 12.201 -0.982 29 HA3 GLY 7 2HA GLY 7 18.186 11.444 -1.616 30 H ALA 8 H ALA 8 15.504 11.138 0.567 31 HA ALA 8 HA ALA 8 16.147 8.282 0.867 32 HB1 ALA 8 1HB ALA 8 15.639 8.251 3.145 33 HB2 ALA 8 2HB ALA 8 16.609 9.711 2.945 34 HB3 ALA 8 3HB ALA 8 14.856 9.830 3.088 35 H LYS 9 H LYS 9 14.211 6.984 1.513 36 HA LYS 9 HA LYS 9 12.121 6.220 1.042 37 HB2 LYS 9 1HB LYS 9 11.424 9.150 1.316 38 HB3 LYS 9 2HB LYS 9 10.255 7.836 1.276 39 HG2 LYS 9 1HG LYS 9 10.731 7.160 3.392 40 HG3 LYS 9 2HG LYS 9 12.413 7.688 3.302 41 HD2 LYS 9 1HD LYS 9 11.698 10.016 3.486 42 HD3 LYS 9 2HD LYS 9 10.010 9.500 3.546 43 HE2 LYS 9 1HE LYS 9 10.183 8.722 5.685 44 HE3 LYS 9 2HE LYS 9 11.891 8.318 5.517 45 HZ1 LYS 9 1HZ LYS 9 10.709 11.004 5.938 46 HZ2 LYS 9 2HZ LYS 9 12.328 10.761 5.513 47 HZ3 LYS 9 3HZ LYS 9 11.739 10.155 6.978 48 H ASP 10 H ASP 10 13.768 6.629 -1.163 49 HA ASP 10 HA ASP 10 11.991 7.754 -3.212 50 HB2 ASP 10 1HB ASP 10 14.882 6.907 -3.490 51 HB3 ASP 10 2HB ASP 10 13.925 7.793 -4.674 52 H ALA 11 H ALA 11 13.928 4.862 -2.506 53 HA ALA 11 HA ALA 11 13.254 3.323 -4.708 54 HB1 ALA 11 1HB ALA 11 14.004 1.450 -3.505 55 HB2 ALA 11 2HB ALA 11 14.930 2.809 -2.868 56 HB3 ALA 11 3HB ALA 11 13.566 2.166 -1.955 57 H LEU 12 H LEU 12 11.547 3.633 -1.611 58 HA LEU 12 HA LEU 12 9.456 1.826 -2.380 59 HB2 LEU 12 1HB LEU 12 10.222 2.274 -0.026 60 HB3 LEU 12 2HB LEU 12 9.416 3.837 -0.141 61 HG LEU 12 HG LEU 12 7.274 2.588 -0.563 62 HD11 LEU 12 1HD1 LEU 12 8.480 0.471 -1.241 63 HD12 LEU 12 2HD1 LEU 12 7.124 0.274 -0.131 64 HD13 LEU 12 3HD1 LEU 12 8.777 0.201 0.476 65 HD21 LEU 12 1HD2 LEU 12 8.618 3.172 1.818 66 HD22 LEU 12 2HD2 LEU 12 7.937 1.560 2.042 67 HD23 LEU 12 3HD2 LEU 12 6.887 2.907 1.600 68 H LEU 13 H LEU 13 9.568 5.343 -1.801 69 HA LEU 13 HA LEU 13 7.008 6.021 -2.508 70 HB2 LEU 13 1HB LEU 13 8.554 7.641 -1.629 71 HB3 LEU 13 2HB LEU 13 9.570 7.507 -3.061 72 HG LEU 13 HG LEU 13 7.620 8.442 -4.375 73 HD11 LEU 13 1HD1 LEU 13 6.590 9.551 -1.815 74 HD12 LEU 13 2HD1 LEU 13 6.086 7.931 -2.298 75 HD13 LEU 13 3HD1 LEU 13 5.767 9.306 -3.356 76 HD21 LEU 13 1HD2 LEU 13 9.693 9.664 -3.179 77 HD22 LEU 13 2HD2 LEU 13 8.355 10.515 -2.407 78 HD23 LEU 13 3HD2 LEU 13 8.500 10.510 -4.165 79 H LEU 14 H LEU 14 9.746 5.394 -4.646 80 HA LEU 14 HA LEU 14 8.442 6.152 -7.046 81 HB2 LEU 14 1HB LEU 14 10.798 6.077 -7.073 82 HB3 LEU 14 2HB LEU 14 10.829 4.430 -6.444 83 HG LEU 14 HG LEU 14 9.893 3.642 -8.605 84 HD11 LEU 14 1HD1 LEU 14 9.807 5.094 -10.505 85 HD12 LEU 14 2HD1 LEU 14 10.447 6.442 -9.567 86 HD13 LEU 14 3HD1 LEU 14 8.838 5.811 -9.218 87 HD21 LEU 14 1HD2 LEU 14 11.963 3.884 -9.864 88 HD22 LEU 14 2HD2 LEU 14 12.299 3.580 -8.160 89 HD23 LEU 14 3HD2 LEU 14 12.462 5.210 -8.814 90 H TRP 15 H TRP 15 8.843 3.056 -5.380 91 HA TRP 15 HA TRP 15 7.794 1.347 -7.289 92 HB2 TRP 15 1HB TRP 15 8.838 0.724 -5.067 93 HB3 TRP 15 2HB TRP 15 7.283 1.089 -4.323 94 HD1 TRP 15 HD TRP 15 8.708 -1.279 -7.048 95 HE1 TRP 15 1HE TRP 15 7.336 -3.456 -6.998 96 HE3 TRP 15 3HE TRP 15 5.260 0.016 -3.502 97 HZ2 TRP 15 2HZ TRP 15 5.090 -4.488 -5.636 98 HZ3 TRP 15 3HZ TRP 15 3.532 -1.623 -2.883 99 HH2 TRP 15 HH TRP 15 3.451 -3.828 -3.929 100 H CYS 16 H CYS 16 5.973 2.704 -4.532 101 HA CYS 16 HA CYS 16 3.451 1.899 -5.305 102 HB2 CYS 16 1HB CYS 16 4.039 4.541 -3.963 103 HB3 CYS 16 2HB CYS 16 2.578 3.570 -3.822 104 HG CYS 16 HG CYS 16 4.793 3.660 -1.661 105 H GLN 17 H GLN 17 5.131 4.913 -6.140 106 HA GLN 17 HA GLN 17 3.089 6.129 -7.588 107 HB2 GLN 17 1HB GLN 17 6.072 6.322 -7.638 108 HB3 GLN 17 2HB GLN 17 5.144 7.132 -8.892 109 HG2 GLN 17 1HG GLN 17 3.853 8.270 -7.073 110 HG3 GLN 17 2HG GLN 17 5.008 7.592 -5.925 111 HE21 GLN 17 1HE2 GLN 17 4.521 10.349 -6.362 112 HE22 GLN 17 2HE2 GLN 17 5.984 11.053 -6.955 113 H MET 18 H MET 18 5.543 3.807 -8.632 114 HA MET 18 HA MET 18 4.962 3.869 -11.380 115 HB2 MET 18 1HB MET 18 6.205 1.801 -9.585 116 HB3 MET 18 2HB MET 18 5.947 1.484 -11.296 117 HG2 MET 18 1HG MET 18 7.210 3.742 -11.613 118 HG3 MET 18 2HG MET 18 7.797 3.414 -9.984 119 HE1 MET 18 1HE MET 18 9.400 0.003 -10.265 120 HE2 MET 18 2HE MET 18 10.166 1.508 -9.758 121 HE3 MET 18 3HE MET 18 8.500 1.165 -9.290 122 H LYS 19 H LYS 19 3.849 1.614 -8.855 123 HA LYS 19 HA LYS 19 2.128 0.134 -10.518 124 HB2 LYS 19 1HB LYS 19 1.784 0.578 -7.551 125 HB3 LYS 19 2HB LYS 19 1.215 -0.790 -8.498 126 HG2 LYS 19 1HG LYS 19 4.070 -0.095 -7.853 127 HG3 LYS 19 2HG LYS 19 3.136 -1.461 -7.240 128 HD2 LYS 19 1HD LYS 19 2.877 -2.070 -9.756 129 HD3 LYS 19 2HD LYS 19 4.275 -1.015 -9.972 130 HE2 LYS 19 1HE LYS 19 5.599 -2.359 -8.503 131 HE3 LYS 19 2HE LYS 19 4.196 -3.315 -8.028 132 HZ1 LYS 19 1HZ LYS 19 4.865 -3.240 -10.868 133 HZ2 LYS 19 2HZ LYS 19 4.245 -4.509 -9.937 134 HZ3 LYS 19 3HZ LYS 19 5.891 -4.130 -9.859 135 H THR 20 H THR 20 1.252 2.558 -8.047 136 HA THR 20 HA THR 20 -1.427 2.788 -8.590 137 HB THR 20 HB THR 20 -1.281 5.128 -7.748 138 HG1 THR 20 1HG THR 20 1.468 4.604 -8.111 139 HG21 THR 20 1HG2 THR 20 -0.943 4.474 -5.581 140 HG22 THR 20 2HG2 THR 20 0.511 3.555 -5.970 141 HG23 THR 20 3HG2 THR 20 -1.079 2.889 -6.343 142 H ALA 21 H ALA 21 1.223 3.838 -10.529 143 HA ALA 21 HA ALA 21 0.308 5.927 -12.004 144 HB1 ALA 21 1HB ALA 21 2.469 4.547 -12.251 145 HB2 ALA 21 2HB ALA 21 1.544 3.584 -13.404 146 HB3 ALA 21 3HB ALA 21 1.787 5.308 -13.689 147 H GLY 22 H GLY 22 -0.457 2.500 -12.627 148 HA2 GLY 22 1HA GLY 22 -1.994 2.673 -14.867 149 HA3 GLY 22 2HA GLY 22 -2.351 1.563 -13.552 150 H TYR 23 H TYR 23 -3.121 3.296 -11.555 151 HA TYR 23 HA TYR 23 -5.739 4.077 -12.530 152 HB2 TYR 23 1HB TYR 23 -4.763 4.368 -9.696 153 HB3 TYR 23 2HB TYR 23 -6.413 4.157 -10.270 154 HD1 TYR 23 2HD TYR 23 -3.187 2.437 -9.738 155 HD2 TYR 23 1HD TYR 23 -7.324 1.987 -10.620 156 HE1 TYR 23 2HE TYR 23 -2.995 0.012 -9.373 157 HE2 TYR 23 1HE TYR 23 -7.144 -0.438 -10.256 158 HH TYR 23 HH TYR 23 -5.283 -2.182 -10.361 159 HA PRO 24 HA PRO 24 -4.439 8.308 -13.028 160 HB2 PRO 24 1HB PRO 24 -6.874 9.259 -13.759 161 HB3 PRO 24 2HB PRO 24 -5.826 8.355 -14.857 162 HG2 PRO 24 1HG PRO 24 -8.175 7.401 -13.265 163 HG3 PRO 24 2HG PRO 24 -7.741 7.037 -14.945 164 HD2 PRO 24 1HD PRO 24 -7.245 5.323 -12.908 165 HD3 PRO 24 2HD PRO 24 -6.191 5.445 -14.332 166 H ASN 25 H ASN 25 -7.175 7.244 -11.086 167 HA ASN 25 HA ASN 25 -7.332 9.767 -9.668 168 HB2 ASN 25 1HB ASN 25 -8.769 7.204 -8.975 169 HB3 ASN 25 2HB ASN 25 -9.224 8.850 -8.542 170 HD21 ASN 25 1HD2 ASN 25 -9.090 10.216 -10.825 171 HD22 ASN 25 2HD2 ASN 25 -10.181 9.574 -12.001 172 H VAL 26 H VAL 26 -4.975 7.789 -9.588 173 HA VAL 26 HA VAL 26 -4.685 7.850 -6.663 174 HB VAL 26 HB VAL 26 -3.708 5.570 -8.385 175 HG11 VAL 26 1HG1 VAL 26 -2.548 6.253 -6.174 176 HG12 VAL 26 2HG1 VAL 26 -3.974 5.554 -5.404 177 HG13 VAL 26 3HG1 VAL 26 -2.954 4.557 -6.441 178 HG21 VAL 26 1HG2 VAL 26 -5.507 4.252 -7.638 179 HG22 VAL 26 2HG2 VAL 26 -5.985 5.441 -6.427 180 HG23 VAL 26 3HG2 VAL 26 -6.234 5.778 -8.140 181 H ASN 27 H ASN 27 -3.009 9.075 -6.142 182 HA ASN 27 HA ASN 27 -0.583 8.949 -7.785 183 HB2 ASN 27 1HB ASN 27 -2.068 11.001 -8.283 184 HB3 ASN 27 2HB ASN 27 -1.568 11.577 -6.695 185 HD21 ASN 27 1HD2 ASN 27 -1.028 12.291 -9.645 186 HD22 ASN 27 2HD2 ASN 27 0.682 12.536 -9.678 187 H VAL 28 H VAL 28 1.041 8.344 -6.530 188 HA VAL 28 HA VAL 28 0.907 8.853 -3.651 189 HB VAL 28 HB VAL 28 2.898 7.141 -5.142 190 HG11 VAL 28 1HG1 VAL 28 2.215 6.584 -2.338 191 HG12 VAL 28 2HG1 VAL 28 3.782 6.576 -3.151 192 HG13 VAL 28 3HG1 VAL 28 3.072 8.100 -2.616 193 HG21 VAL 28 1HG2 VAL 28 1.526 5.328 -4.993 194 HG22 VAL 28 2HG2 VAL 28 0.681 5.943 -3.573 195 HG23 VAL 28 3HG2 VAL 28 0.302 6.585 -5.171 196 H HIS 29 H HIS 29 1.368 11.166 -4.083 197 HA HIS 29 HA HIS 29 4.100 11.782 -4.875 198 HB2 HIS 29 1HB HIS 29 2.225 13.188 -5.681 199 HB3 HIS 29 2HB HIS 29 1.874 13.643 -4.016 200 HD1 HIS 29 1HD HIS 29 3.141 15.588 -3.082 201 HD2 HIS 29 2HD HIS 29 4.793 14.171 -6.620 202 HE1 HIS 29 1HE HIS 29 4.924 17.248 -3.702 203 HE2 HIS 29 2HE HIS 29 5.852 16.416 -5.891 204 H ASN 30 H ASN 30 2.242 11.328 -2.022 205 HA ASN 30 HA ASN 30 4.587 11.969 -0.402 206 HB2 ASN 30 1HB ASN 30 2.788 12.972 1.275 207 HB3 ASN 30 2HB ASN 30 3.558 13.971 0.047 208 HD21 ASN 30 1HD2 ASN 30 0.834 11.697 0.200 209 HD22 ASN 30 2HD2 ASN 30 -0.289 12.726 -0.615 210 H PHE 31 H PHE 31 4.190 11.257 1.939 211 HA PHE 31 HA PHE 31 2.795 8.668 1.867 212 HB2 PHE 31 1HB PHE 31 5.208 9.622 3.395 213 HB3 PHE 31 2HB PHE 31 4.322 8.180 3.879 214 HD1 PHE 31 2HD PHE 31 3.789 6.604 1.712 215 HD2 PHE 31 1HD PHE 31 7.102 9.234 2.182 216 HE1 PHE 31 2HE PHE 31 5.071 5.273 0.089 217 HE2 PHE 31 1HE PHE 31 8.390 7.908 0.559 218 HZ PHE 31 HZ PHE 31 7.375 5.923 -0.489 219 H THR 32 H THR 32 1.679 11.369 2.510 220 HA THR 32 HA THR 32 0.616 10.691 5.172 221 HB THR 32 HB THR 32 0.289 13.290 5.337 222 HG1 THR 32 1HG THR 32 2.292 14.238 4.343 223 HG21 THR 32 1HG2 THR 32 3.067 13.003 5.867 224 HG22 THR 32 2HG2 THR 32 2.280 11.468 6.236 225 HG23 THR 32 3HG2 THR 32 1.723 12.953 7.006 226 H THR 33 H THR 33 -0.067 13.090 2.622 227 HA THR 33 HA THR 33 -2.915 12.613 2.934 228 HB THR 33 HB THR 33 -3.221 14.481 1.385 229 HG1 THR 33 1HG THR 33 -1.269 15.587 0.675 230 HG21 THR 33 1HG2 THR 33 -1.265 14.894 3.635 231 HG22 THR 33 2HG2 THR 33 -3.007 15.170 3.633 232 HG23 THR 33 3HG2 THR 33 -1.944 16.237 2.718 233 H SER 34 H SER 34 -1.185 10.529 1.778 234 HA SER 34 HA SER 34 -2.435 10.331 -0.885 235 HB2 SER 34 1HB SER 34 -0.029 10.503 -1.122 236 HB3 SER 34 2HB SER 34 0.217 9.219 0.060 237 HG SER 34 HG SER 34 0.185 7.964 -1.624 238 H TRP 35 H TRP 35 -1.919 8.866 2.194 239 HA TRP 35 HA TRP 35 -3.415 6.485 1.306 240 HB2 TRP 35 1HB TRP 35 -1.637 6.564 3.737 241 HB3 TRP 35 2HB TRP 35 -2.262 5.156 2.886 242 HD1 TRP 35 HD TRP 35 0.281 8.023 2.331 243 HE1 TRP 35 1HE TRP 35 2.133 7.151 0.770 244 HE3 TRP 35 3HE TRP 35 -1.645 3.403 1.288 245 HZ2 TRP 35 2HZ TRP 35 2.701 4.815 -0.708 246 HZ3 TRP 35 3HZ TRP 35 -0.386 1.911 -0.209 247 HH2 TRP 35 HH TRP 35 1.742 2.604 -1.186 248 H ARG 36 H ARG 36 -4.006 9.281 2.647 249 HA ARG 36 HA ARG 36 -5.161 8.733 5.158 250 HB2 ARG 36 1HB ARG 36 -4.631 11.005 4.467 251 HB3 ARG 36 2HB ARG 36 -5.796 10.904 3.155 252 HG2 ARG 36 1HG ARG 36 -6.775 10.436 5.915 253 HG3 ARG 36 2HG ARG 36 -6.363 12.086 5.445 254 HD2 ARG 36 1HD ARG 36 -8.238 10.284 3.919 255 HD3 ARG 36 2HD ARG 36 -8.752 11.507 5.081 256 HE ARG 36 HE ARG 36 -7.152 12.809 3.247 257 HH11 ARG 36 1HH1 ARG 36 -10.125 11.000 3.204 258 HH12 ARG 36 2HH1 ARG 36 -10.782 11.861 1.853 259 HH21 ARG 36 1HH2 ARG 36 -8.006 13.951 1.468 260 HH22 ARG 36 2HH2 ARG 36 -9.575 13.539 0.865 261 H ASP 37 H ASP 37 -6.632 9.010 1.929 262 HA ASP 37 HA ASP 37 -9.249 8.346 2.775 263 HB2 ASP 37 1HB ASP 37 -9.053 9.489 0.709 264 HB3 ASP 37 2HB ASP 37 -7.893 8.321 0.083 265 H GLY 38 H GLY 38 -6.915 6.399 0.894 266 HA2 GLY 38 1HA GLY 38 -6.551 4.117 1.990 267 HA3 GLY 38 2HA GLY 38 -8.300 3.987 1.877 268 H LEU 39 H LEU 39 -8.425 5.329 -0.716 269 HA LEU 39 HA LEU 39 -8.599 3.307 -2.468 270 HB2 LEU 39 1HB LEU 39 -7.640 6.112 -2.957 271 HB3 LEU 39 2HB LEU 39 -7.930 4.975 -4.272 272 HG LEU 39 HG LEU 39 -9.981 6.017 -2.318 273 HD11 LEU 39 1HD1 LEU 39 -9.385 6.595 -5.204 274 HD12 LEU 39 2HD1 LEU 39 -9.513 7.728 -3.858 275 HD13 LEU 39 3HD1 LEU 39 -10.957 6.928 -4.478 276 HD21 LEU 39 1HD2 LEU 39 -11.566 4.832 -3.893 277 HD22 LEU 39 2HD2 LEU 39 -10.613 3.799 -2.829 278 HD23 LEU 39 3HD2 LEU 39 -10.158 3.978 -4.523 279 H ALA 40 H ALA 40 -5.633 5.271 -2.171 280 HA ALA 40 HA ALA 40 -3.941 4.058 -3.871 281 HB1 ALA 40 1HB ALA 40 -2.699 5.583 -2.816 282 HB2 ALA 40 2HB ALA 40 -3.620 5.424 -1.319 283 HB3 ALA 40 3HB ALA 40 -2.313 4.295 -1.673 284 H PHE 41 H PHE 41 -4.326 2.934 -0.503 285 HA PHE 41 HA PHE 41 -2.795 0.636 -0.696 286 HB2 PHE 41 1HB PHE 41 -5.155 1.357 1.022 287 HB3 PHE 41 2HB PHE 41 -4.393 -0.225 1.153 288 HD1 PHE 41 1HD PHE 41 -1.592 0.257 0.968 289 HD2 PHE 41 2HD PHE 41 -4.586 2.639 2.835 290 HE1 PHE 41 1HE PHE 41 0.105 1.201 2.480 291 HE2 PHE 41 2HE PHE 41 -2.894 3.587 4.348 292 HZ PHE 41 HZ PHE 41 -0.545 2.868 4.172 293 H ASN 42 H ASN 42 -6.273 1.028 -1.300 294 HA ASN 42 HA ASN 42 -6.687 -1.705 -1.999 295 HB2 ASN 42 1HB ASN 42 -8.378 0.733 -2.598 296 HB3 ASN 42 2HB ASN 42 -8.898 -0.939 -2.784 297 HD21 ASN 42 1HD2 ASN 42 -8.884 1.687 -0.771 298 HD22 ASN 42 2HD2 ASN 42 -9.268 0.897 0.717 299 H ALA 43 H ALA 43 -4.917 0.542 -3.529 300 HA ALA 43 HA ALA 43 -5.744 -0.203 -6.240 301 HB1 ALA 43 1HB ALA 43 -3.623 1.802 -5.529 302 HB2 ALA 43 2HB ALA 43 -4.531 1.650 -7.032 303 HB3 ALA 43 3HB ALA 43 -5.338 2.212 -5.568 304 H ILE 44 H ILE 44 -3.001 -0.354 -4.030 305 HA ILE 44 HA ILE 44 -1.116 -1.413 -5.828 306 HB ILE 44 HB ILE 44 -1.282 -1.861 -2.846 307 HG12 ILE 44 1HG1 ILE 44 0.372 0.198 -4.305 308 HG13 ILE 44 2HG1 ILE 44 -1.240 0.548 -3.690 309 HG21 ILE 44 1HG2 ILE 44 1.154 -1.971 -4.608 310 HG22 ILE 44 2HG2 ILE 44 1.016 -2.446 -2.917 311 HG23 ILE 44 3HG2 ILE 44 0.214 -3.396 -4.166 312 HD11 ILE 44 1HD1 ILE 44 -0.530 0.140 -1.440 313 HD12 ILE 44 2HD1 ILE 44 1.050 -0.411 -1.996 314 HD13 ILE 44 3HD1 ILE 44 0.586 1.277 -2.195 315 H VAL 45 H VAL 45 -3.397 -2.998 -3.620 316 HA VAL 45 HA VAL 45 -2.570 -5.644 -4.295 317 HB VAL 45 HB VAL 45 -5.141 -4.714 -3.010 318 HG11 VAL 45 1HG1 VAL 45 -5.815 -6.828 -3.044 319 HG12 VAL 45 2HG1 VAL 45 -4.383 -7.261 -3.982 320 HG13 VAL 45 3HG1 VAL 45 -4.340 -7.330 -2.219 321 HG21 VAL 45 1HG2 VAL 45 -4.062 -5.303 -0.898 322 HG22 VAL 45 2HG2 VAL 45 -2.580 -5.710 -1.761 323 HG23 VAL 45 3HG2 VAL 45 -3.161 -4.045 -1.743 324 H HIS 46 H HIS 46 -5.577 -3.855 -5.006 325 HA HIS 46 HA HIS 46 -6.874 -5.573 -6.638 326 HB2 HIS 46 1HB HIS 46 -7.456 -3.133 -6.005 327 HB3 HIS 46 2HB HIS 46 -6.600 -2.698 -7.481 328 HD1 HIS 46 1HD HIS 46 -8.016 -2.598 -9.503 329 HD2 HIS 46 2HD HIS 46 -9.643 -5.086 -6.600 330 HE1 HIS 46 1HE HIS 46 -10.234 -3.345 -10.423 331 HE2 HIS 46 2HE HIS 46 -11.238 -4.781 -8.614 332 H LYS 47 H LYS 47 -3.880 -3.984 -7.320 333 HA LYS 47 HA LYS 47 -3.921 -4.353 -10.152 334 HB2 LYS 47 1HB LYS 47 -2.511 -2.670 -8.920 335 HB3 LYS 47 2HB LYS 47 -1.503 -4.004 -8.374 336 HG2 LYS 47 1HG LYS 47 -0.314 -3.319 -10.191 337 HG3 LYS 47 2HG LYS 47 -1.363 -4.521 -10.949 338 HD2 LYS 47 1HD LYS 47 -2.620 -2.941 -12.026 339 HD3 LYS 47 2HD LYS 47 -2.338 -1.716 -10.787 340 HE2 LYS 47 1HE LYS 47 -1.165 -1.009 -12.722 341 HE3 LYS 47 2HE LYS 47 0.046 -1.613 -11.591 342 HZ1 LYS 47 1HZ LYS 47 0.103 -3.693 -12.811 343 HZ2 LYS 47 2HZ LYS 47 0.454 -2.397 -13.840 344 HZ3 LYS 47 3HZ LYS 47 -1.072 -3.127 -13.890 345 H HIS 48 H HIS 48 -2.470 -6.122 -7.442 346 HA HIS 48 HA HIS 48 -1.415 -8.170 -9.186 347 HB2 HIS 48 1HB HIS 48 -1.594 -8.435 -6.202 348 HB3 HIS 48 2HB HIS 48 -0.366 -9.059 -7.299 349 HD1 HIS 48 1HD HIS 48 0.859 -6.801 -8.624 350 HD2 HIS 48 2HD HIS 48 -0.549 -6.441 -4.732 351 HE1 HIS 48 1HE HIS 48 2.085 -4.836 -7.646 352 HE2 HIS 48 2HE HIS 48 1.278 -4.689 -5.264 353 H ARG 49 H ARG 49 -3.953 -7.948 -6.707 354 HA ARG 49 HA ARG 49 -5.180 -10.352 -7.887 355 HB2 ARG 49 1HB ARG 49 -5.149 -9.555 -4.970 356 HB3 ARG 49 2HB ARG 49 -6.024 -10.926 -5.638 357 HG2 ARG 49 1HG ARG 49 -3.100 -10.756 -6.128 358 HG3 ARG 49 2HG ARG 49 -3.659 -11.204 -4.516 359 HD2 ARG 49 1HD ARG 49 -3.232 -13.140 -6.027 360 HD3 ARG 49 2HD ARG 49 -4.871 -13.073 -5.380 361 HE ARG 49 HE ARG 49 -5.676 -12.673 -7.507 362 HH11 ARG 49 1HH1 ARG 49 -2.198 -12.518 -7.484 363 HH12 ARG 49 2HH1 ARG 49 -2.057 -12.518 -9.210 364 HH21 ARG 49 1HH2 ARG 49 -5.502 -12.675 -9.782 365 HH22 ARG 49 2HH2 ARG 49 -3.937 -12.607 -10.517 366 HA PRO 50 HA PRO 50 -8.187 -6.901 -8.296 367 HB2 PRO 50 1HB PRO 50 -9.198 -7.786 -10.654 368 HB3 PRO 50 2HB PRO 50 -7.745 -6.786 -10.548 369 HG2 PRO 50 1HG PRO 50 -7.984 -9.752 -10.878 370 HG3 PRO 50 2HG PRO 50 -6.892 -8.619 -11.697 371 HD2 PRO 50 1HD PRO 50 -6.096 -10.167 -9.622 372 HD3 PRO 50 2HD PRO 50 -5.427 -8.549 -9.920 373 H ASP 51 H ASP 51 -8.318 -10.107 -7.554 374 HA ASP 51 HA ASP 51 -11.214 -10.377 -7.799 375 HB2 ASP 51 1HB ASP 51 -9.419 -12.232 -8.252 376 HB3 ASP 51 2HB ASP 51 -9.458 -12.430 -6.502 377 H LEU 52 H LEU 52 -8.704 -10.121 -5.337 378 HA LEU 52 HA LEU 52 -10.091 -10.670 -3.040 379 HB2 LEU 52 1HB LEU 52 -8.066 -8.492 -3.520 380 HB3 LEU 52 2HB LEU 52 -8.609 -9.007 -1.925 381 HG LEU 52 HG LEU 52 -6.981 -10.571 -3.917 382 HD11 LEU 52 1HD1 LEU 52 -5.575 -10.738 -1.729 383 HD12 LEU 52 2HD1 LEU 52 -6.490 -9.307 -1.260 384 HD13 LEU 52 3HD1 LEU 52 -5.501 -9.281 -2.720 385 HD21 LEU 52 1HD2 LEU 52 -8.236 -12.304 -3.145 386 HD22 LEU 52 2HD2 LEU 52 -8.648 -11.485 -1.639 387 HD23 LEU 52 3HD2 LEU 52 -7.056 -12.218 -1.838 388 H LEU 53 H LEU 53 -9.698 -7.371 -4.349 389 HA LEU 53 HA LEU 53 -12.338 -6.719 -3.213 390 HB2 LEU 53 1HB LEU 53 -11.542 -4.457 -2.819 391 HB3 LEU 53 2HB LEU 53 -10.559 -5.638 -1.956 392 HG LEU 53 HG LEU 53 -9.734 -4.380 -4.567 393 HD11 LEU 53 1HD1 LEU 53 -10.018 -2.669 -2.815 394 HD12 LEU 53 2HD1 LEU 53 -8.334 -2.885 -3.290 395 HD13 LEU 53 3HD1 LEU 53 -8.919 -3.578 -1.778 396 HD21 LEU 53 1HD2 LEU 53 -8.666 -6.455 -2.851 397 HD22 LEU 53 2HD2 LEU 53 -7.518 -5.137 -3.087 398 HD23 LEU 53 3HD2 LEU 53 -8.191 -5.982 -4.482 399 H ASP 54 H ASP 54 -13.016 -4.445 -4.264 400 HA ASP 54 HA ASP 54 -12.574 -4.615 -7.166 401 HB2 ASP 54 1HB ASP 54 -15.203 -4.512 -5.700 402 HB3 ASP 54 2HB ASP 54 -15.059 -3.967 -7.368 403 H PHE 55 H PHE 55 -11.198 -2.827 -7.067 404 HA PHE 55 HA PHE 55 -11.543 -0.447 -5.752 405 HB2 PHE 55 1HB PHE 55 -9.631 -1.268 -7.325 406 HB3 PHE 55 2HB PHE 55 -10.545 -0.439 -8.581 407 HD1 PHE 55 1HD PHE 55 -9.294 0.200 -5.124 408 HD2 PHE 55 2HD PHE 55 -9.979 1.733 -9.035 409 HE1 PHE 55 1HE PHE 55 -8.255 2.331 -4.466 410 HE2 PHE 55 2HE PHE 55 -8.939 3.867 -8.383 411 HZ PHE 55 HZ PHE 55 -8.074 4.167 -6.097 412 H GLU 56 H GLU 56 -12.978 -1.451 -8.818 413 HA GLU 56 HA GLU 56 -14.114 0.974 -9.587 414 HB2 GLU 56 1HB GLU 56 -15.177 -1.823 -10.023 415 HB3 GLU 56 2HB GLU 56 -15.711 -0.391 -10.890 416 HG2 GLU 56 1HG GLU 56 -12.850 -1.286 -10.903 417 HG3 GLU 56 2HG GLU 56 -14.037 -1.904 -12.051 418 H SER 57 H SER 57 -15.273 -1.490 -7.354 419 HA SER 57 HA SER 57 -17.843 -0.287 -6.978 420 HB2 SER 57 1HB SER 57 -16.321 -2.460 -5.551 421 HB3 SER 57 2HB SER 57 -17.861 -1.862 -4.935 422 HG SER 57 HG SER 57 -17.618 -2.667 -7.620 423 H LEU 58 H LEU 58 -14.797 -0.306 -5.173 424 HA LEU 58 HA LEU 58 -15.426 0.908 -2.841 425 HB2 LEU 58 1HB LEU 58 -13.093 1.666 -4.593 426 HB3 LEU 58 2HB LEU 58 -13.219 1.948 -2.858 427 HG LEU 58 HG LEU 58 -13.086 -0.759 -4.187 428 HD11 LEU 58 1HD1 LEU 58 -11.019 0.878 -4.062 429 HD12 LEU 58 2HD1 LEU 58 -10.854 -0.846 -3.733 430 HD13 LEU 58 3HD1 LEU 58 -10.964 0.299 -2.397 431 HD21 LEU 58 1HD2 LEU 58 -12.456 -0.795 -1.419 432 HD22 LEU 58 2HD2 LEU 58 -13.781 -1.602 -2.258 433 HD23 LEU 58 3HD2 LEU 58 -14.004 0.028 -1.620 434 H LYS 59 H LYS 59 -16.443 2.698 -2.253 435 HA LYS 59 HA LYS 59 -16.976 4.762 -4.237 436 HB2 LYS 59 1HB LYS 59 -18.128 4.011 -1.588 437 HB3 LYS 59 2HB LYS 59 -18.317 5.670 -2.139 438 HG2 LYS 59 1HG LYS 59 -19.092 3.332 -3.851 439 HG3 LYS 59 2HG LYS 59 -20.193 4.039 -2.667 440 HD2 LYS 59 1HD LYS 59 -20.076 6.181 -3.774 441 HD3 LYS 59 2HD LYS 59 -18.849 5.577 -4.890 442 HE2 LYS 59 1HE LYS 59 -20.935 5.571 -6.043 443 HE3 LYS 59 2HE LYS 59 -20.524 3.895 -5.683 444 HZ1 LYS 59 1HZ LYS 59 -22.668 5.557 -4.601 445 HZ2 LYS 59 2HZ LYS 59 -21.960 4.431 -3.556 446 HZ3 LYS 59 3HZ LYS 59 -22.672 3.912 -5.000 447 H LYS 60 H LYS 60 -16.524 6.966 -3.921 448 HA LYS 60 HA LYS 60 -14.138 7.442 -2.312 449 HB2 LYS 60 1HB LYS 60 -15.506 9.057 -4.464 450 HB3 LYS 60 2HB LYS 60 -14.120 9.645 -3.554 451 HG2 LYS 60 1HG LYS 60 -12.809 7.722 -4.370 452 HG3 LYS 60 2HG LYS 60 -14.195 7.223 -5.343 453 HD2 LYS 60 1HD LYS 60 -13.124 9.999 -5.610 454 HD3 LYS 60 2HD LYS 60 -12.292 8.662 -6.408 455 HE2 LYS 60 1HE LYS 60 -14.108 8.189 -7.779 456 HE3 LYS 60 2HE LYS 60 -15.248 9.017 -6.720 457 HZ1 LYS 60 1HZ LYS 60 -14.116 11.124 -7.350 458 HZ2 LYS 60 2HZ LYS 60 -14.916 10.363 -8.631 459 HZ3 LYS 60 3HZ LYS 60 -13.231 10.260 -8.505 460 H CYS 61 H CYS 61 -16.405 7.094 -0.771 461 HA CYS 61 HA CYS 61 -16.745 9.795 0.336 462 HB2 CYS 61 1HB CYS 61 -18.800 9.238 -0.865 463 HB3 CYS 61 2HB CYS 61 -18.927 7.722 0.021 464 HG CYS 61 HG CYS 61 -20.068 10.689 0.827 465 H ASN 62 H ASN 62 -16.697 6.323 0.851 466 HA ASN 62 HA ASN 62 -16.473 6.769 3.750 467 HB2 ASN 62 1HB ASN 62 -18.229 5.158 2.683 468 HB3 ASN 62 2HB ASN 62 -16.859 4.065 2.508 469 HD21 ASN 62 1HD2 ASN 62 -15.441 4.415 4.747 470 HD22 ASN 62 2HD2 ASN 62 -16.371 3.991 6.140 471 H ALA 63 H ALA 63 -14.302 7.300 3.873 472 HA ALA 63 HA ALA 63 -12.248 5.790 2.608 473 HB1 ALA 63 1HB ALA 63 -10.769 7.047 4.263 474 HB2 ALA 63 2HB ALA 63 -11.697 8.012 3.114 475 HB3 ALA 63 3HB ALA 63 -12.246 7.859 4.783 476 H HIS 64 H HIS 64 -13.232 6.042 6.029 477 HA HIS 64 HA HIS 64 -11.612 4.314 7.277 478 HB2 HIS 64 1HB HIS 64 -13.753 5.495 8.141 479 HB3 HIS 64 2HB HIS 64 -14.574 4.000 7.700 480 HD1 HIS 64 1HD HIS 64 -12.718 1.873 8.698 481 HD2 HIS 64 2HD HIS 64 -13.453 5.368 10.822 482 HE1 HIS 64 1HE HIS 64 -12.161 1.335 11.091 483 HE2 HIS 64 2HE HIS 64 -12.695 3.439 12.369 484 H TYR 65 H TYR 65 -14.668 3.148 5.845 485 HA TYR 65 HA TYR 65 -14.222 0.448 6.076 486 HB2 TYR 65 1HB TYR 65 -16.362 1.046 5.356 487 HB3 TYR 65 2HB TYR 65 -15.748 2.073 4.065 488 HD1 TYR 65 1HD TYR 65 -16.079 -1.479 5.112 489 HD2 TYR 65 2HD TYR 65 -15.527 1.240 1.885 490 HE1 TYR 65 1HE TYR 65 -16.373 -3.324 3.514 491 HE2 TYR 65 2HE TYR 65 -15.821 -0.599 0.278 492 HH TYR 65 HH TYR 65 -16.647 -2.761 0.084 493 H ASN 66 H ASN 66 -13.287 2.552 3.369 494 HA ASN 66 HA ASN 66 -12.171 0.619 1.711 495 HB2 ASN 66 1HB ASN 66 -11.448 3.528 2.091 496 HB3 ASN 66 2HB ASN 66 -10.777 2.523 0.811 497 HD21 ASN 66 1HD2 ASN 66 -11.865 4.440 -0.318 498 HD22 ASN 66 2HD2 ASN 66 -13.487 4.171 -0.850 499 H LEU 67 H LEU 67 -10.606 2.570 4.237 500 HA LEU 67 HA LEU 67 -8.019 1.542 3.922 501 HB2 LEU 67 1HB LEU 67 -9.483 2.857 6.169 502 HB3 LEU 67 2HB LEU 67 -7.880 2.183 6.448 503 HG LEU 67 HG LEU 67 -8.428 4.215 4.297 504 HD11 LEU 67 1HD1 LEU 67 -7.505 4.730 7.121 505 HD12 LEU 67 2HD1 LEU 67 -9.088 5.149 6.466 506 HD13 LEU 67 3HD1 LEU 67 -7.638 5.923 5.827 507 HD21 LEU 67 1HD2 LEU 67 -6.364 2.815 4.188 508 HD22 LEU 67 2HD2 LEU 67 -5.880 3.498 5.740 509 HD23 LEU 67 3HD2 LEU 67 -6.062 4.546 4.332 510 H GLN 68 H GLN 68 -10.194 0.790 6.645 511 HA GLN 68 HA GLN 68 -8.896 -1.373 7.669 512 HB2 GLN 68 1HB GLN 68 -10.873 -1.953 8.771 513 HB3 GLN 68 2HB GLN 68 -11.068 -0.235 8.454 514 HG2 GLN 68 1HG GLN 68 -12.565 -0.639 6.667 515 HG3 GLN 68 2HG GLN 68 -12.194 -2.363 6.661 516 HE21 GLN 68 1HE2 GLN 68 -14.430 -2.787 6.861 517 HE22 GLN 68 2HE2 GLN 68 -15.230 -2.636 8.385 518 H ASN 69 H ASN 69 -11.073 -1.333 4.892 519 HA ASN 69 HA ASN 69 -11.315 -4.083 4.490 520 HB2 ASN 69 1HB ASN 69 -12.641 -2.332 3.310 521 HB3 ASN 69 2HB ASN 69 -11.217 -1.947 2.349 522 HD21 ASN 69 1HD2 ASN 69 -10.721 -3.176 0.624 523 HD22 ASN 69 2HD2 ASN 69 -11.638 -4.546 0.107 524 H ALA 70 H ALA 70 -8.877 -1.806 3.290 525 HA ALA 70 HA ALA 70 -7.446 -3.729 1.764 526 HB1 ALA 70 1HB ALA 70 -5.910 -1.438 2.757 527 HB2 ALA 70 2HB ALA 70 -6.191 -1.991 1.105 528 HB3 ALA 70 3HB ALA 70 -7.408 -1.014 1.926 529 H PHE 71 H PHE 71 -7.000 -2.373 5.012 530 HA PHE 71 HA PHE 71 -4.589 -3.668 5.620 531 HB2 PHE 71 1HB PHE 71 -6.826 -2.726 7.423 532 HB3 PHE 71 2HB PHE 71 -5.268 -3.298 8.012 533 HD1 PHE 71 2HD PHE 71 -3.371 -2.104 6.181 534 HD2 PHE 71 1HD PHE 71 -6.928 -0.466 7.848 535 HE1 PHE 71 2HE PHE 71 -2.445 0.160 5.925 536 HE2 PHE 71 1HE PHE 71 -6.008 1.801 7.595 537 HZ PHE 71 HZ PHE 71 -3.762 2.116 6.633 538 H ASN 72 H ASN 72 -7.952 -4.642 6.207 539 HA ASN 72 HA ASN 72 -7.347 -7.051 7.547 540 HB2 ASN 72 1HB ASN 72 -9.814 -6.344 5.941 541 HB3 ASN 72 2HB ASN 72 -9.686 -7.659 7.105 542 HD21 ASN 72 1HD2 ASN 72 -11.298 -5.096 6.906 543 HD22 ASN 72 2HD2 ASN 72 -11.103 -4.362 8.458 544 H LEU 73 H LEU 73 -8.392 -6.504 4.179 545 HA LEU 73 HA LEU 73 -8.255 -9.067 3.222 546 HB2 LEU 73 1HB LEU 73 -7.696 -6.417 1.958 547 HB3 LEU 73 2HB LEU 73 -7.468 -7.900 1.037 548 HG LEU 73 HG LEU 73 -10.057 -6.968 2.277 549 HD11 LEU 73 1HD1 LEU 73 -8.998 -6.931 -0.533 550 HD12 LEU 73 2HD1 LEU 73 -9.632 -5.590 0.419 551 HD13 LEU 73 3HD1 LEU 73 -10.721 -6.846 -0.166 552 HD21 LEU 73 1HD2 LEU 73 -9.262 -9.461 0.821 553 HD22 LEU 73 2HD2 LEU 73 -10.918 -8.857 0.741 554 HD23 LEU 73 3HD2 LEU 73 -10.209 -9.285 2.299 555 H ALA 74 H ALA 74 -5.594 -6.764 3.591 556 HA ALA 74 HA ALA 74 -3.628 -8.523 2.478 557 HB1 ALA 74 1HB ALA 74 -2.912 -6.375 2.252 558 HB2 ALA 74 2HB ALA 74 -3.612 -5.861 3.787 559 HB3 ALA 74 3HB ALA 74 -2.105 -6.775 3.768 560 H GLU 75 H GLU 75 -4.718 -7.709 5.732 561 HA GLU 75 HA GLU 75 -2.670 -9.170 7.073 562 HB2 GLU 75 1HB GLU 75 -3.826 -7.365 8.209 563 HB3 GLU 75 2HB GLU 75 -5.366 -8.192 8.024 564 HG2 GLU 75 1HG GLU 75 -3.149 -9.545 9.482 565 HG3 GLU 75 2HG GLU 75 -4.074 -8.277 10.285 566 H LYS 76 H LYS 76 -5.387 -10.119 5.338 567 HA LYS 76 HA LYS 76 -5.558 -12.684 6.771 568 HB2 LYS 76 1HB LYS 76 -7.631 -11.162 6.336 569 HB3 LYS 76 2HB LYS 76 -7.537 -11.798 4.698 570 HG2 LYS 76 1HG LYS 76 -7.543 -13.689 7.003 571 HG3 LYS 76 2HG LYS 76 -9.056 -12.942 6.480 572 HD2 LYS 76 1HD LYS 76 -7.239 -14.273 4.502 573 HD3 LYS 76 2HD LYS 76 -8.371 -15.222 5.468 574 HE2 LYS 76 1HE LYS 76 -9.054 -12.948 3.607 575 HE3 LYS 76 2HE LYS 76 -9.363 -14.662 3.329 576 HZ1 LYS 76 1HZ LYS 76 -11.374 -13.726 4.076 577 HZ2 LYS 76 2HZ LYS 76 -10.624 -12.894 5.344 578 HZ3 LYS 76 3HZ LYS 76 -10.756 -14.579 5.400 579 H GLU 77 H GLU 77 -5.967 -11.523 3.419 580 HA GLU 77 HA GLU 77 -5.356 -13.985 2.220 581 HB2 GLU 77 1HB GLU 77 -5.092 -11.196 1.083 582 HB3 GLU 77 2HB GLU 77 -5.068 -12.680 0.141 583 HG2 GLU 77 1HG GLU 77 -7.389 -11.907 1.879 584 HG3 GLU 77 2HG GLU 77 -7.244 -11.397 0.198 585 H LEU 78 H LEU 78 -3.329 -11.061 2.014 586 HA LEU 78 HA LEU 78 -1.003 -12.367 1.223 587 HB2 LEU 78 1HB LEU 78 -1.075 -9.860 2.885 588 HB3 LEU 78 2HB LEU 78 0.161 -10.354 1.730 589 HG LEU 78 HG LEU 78 -2.664 -9.602 0.987 590 HD11 LEU 78 1HD1 LEU 78 -1.958 -7.460 0.481 591 HD12 LEU 78 2HD1 LEU 78 -0.255 -7.917 0.448 592 HD13 LEU 78 3HD1 LEU 78 -1.104 -7.791 1.989 593 HD21 LEU 78 1HD2 LEU 78 -2.172 -10.279 -1.070 594 HD22 LEU 78 2HD2 LEU 78 -0.705 -11.011 -0.419 595 HD23 LEU 78 3HD2 LEU 78 -0.659 -9.370 -1.066 596 H GLY 79 H GLY 79 -2.028 -11.389 4.488 597 HA2 GLY 79 1HA GLY 79 -1.635 -12.723 6.415 598 HA3 GLY 79 2HA GLY 79 -0.301 -13.498 5.572 599 H LEU 80 H LEU 80 -0.993 -10.046 6.022 600 HA LEU 80 HA LEU 80 1.687 -9.750 7.178 601 HB2 LEU 80 1HB LEU 80 -0.198 -7.759 5.933 602 HB3 LEU 80 2HB LEU 80 1.317 -7.315 6.714 603 HG LEU 80 HG LEU 80 1.271 -9.240 4.415 604 HD11 LEU 80 1HD1 LEU 80 1.381 -6.232 4.241 605 HD12 LEU 80 2HD1 LEU 80 0.081 -7.266 3.648 606 HD13 LEU 80 3HD1 LEU 80 1.681 -7.352 2.912 607 HD21 LEU 80 1HD2 LEU 80 3.354 -9.217 5.480 608 HD22 LEU 80 2HD2 LEU 80 3.307 -7.471 5.734 609 HD23 LEU 80 3HD2 LEU 80 3.550 -8.121 4.112 610 H THR 81 H THR 81 1.957 -8.179 8.940 611 HA THR 81 HA THR 81 -0.182 -8.500 10.904 612 HB THR 81 HB THR 81 2.643 -7.486 11.281 613 HG1 THR 81 1HG THR 81 1.443 -10.031 11.464 614 HG21 THR 81 1HG2 THR 81 1.753 -6.677 13.189 615 HG22 THR 81 2HG2 THR 81 1.791 -8.361 13.712 616 HG23 THR 81 3HG2 THR 81 0.305 -7.674 13.054 617 H LYS 82 H LYS 82 -1.649 -6.937 11.006 618 HA LYS 82 HA LYS 82 -1.468 -4.404 9.890 619 HB2 LYS 82 1HB LYS 82 -3.229 -5.680 11.921 620 HB3 LYS 82 2HB LYS 82 -3.278 -3.927 11.798 621 HG2 LYS 82 1HG LYS 82 -3.627 -4.314 9.286 622 HG3 LYS 82 2HG LYS 82 -4.005 -5.977 9.740 623 HD2 LYS 82 1HD LYS 82 -5.361 -3.586 10.970 624 HD3 LYS 82 2HD LYS 82 -5.979 -4.411 9.538 625 HE2 LYS 82 1HE LYS 82 -7.141 -5.538 11.140 626 HE3 LYS 82 2HE LYS 82 -5.688 -6.536 11.092 627 HZ1 LYS 82 1HZ LYS 82 -6.446 -5.902 13.361 628 HZ2 LYS 82 2HZ LYS 82 -6.070 -4.294 12.996 629 HZ3 LYS 82 3HZ LYS 82 -4.848 -5.462 13.018 630 H LEU 83 H LEU 83 0.185 -3.074 10.358 631 HA LEU 83 HA LEU 83 1.098 -2.743 13.093 632 HB2 LEU 83 1HB LEU 83 2.039 -1.180 10.709 633 HB3 LEU 83 2HB LEU 83 2.900 -1.515 12.210 634 HG LEU 83 HG LEU 83 2.215 -3.632 10.177 635 HD11 LEU 83 1HD1 LEU 83 4.713 -1.978 10.481 636 HD12 LEU 83 2HD1 LEU 83 3.657 -2.084 9.072 637 HD13 LEU 83 3HD1 LEU 83 4.624 -3.478 9.555 638 HD21 LEU 83 1HD2 LEU 83 3.012 -5.058 11.677 639 HD22 LEU 83 2HD2 LEU 83 3.160 -3.735 12.834 640 HD23 LEU 83 3HD2 LEU 83 4.518 -4.146 11.784 641 H LEU 84 H LEU 84 -0.784 -1.023 10.706 642 HA LEU 84 HA LEU 84 -1.162 1.172 12.636 643 HB2 LEU 84 1HB LEU 84 -1.461 1.246 9.638 644 HB3 LEU 84 2HB LEU 84 -1.720 2.600 10.736 645 HG LEU 84 HG LEU 84 0.929 1.217 10.319 646 HD11 LEU 84 1HD1 LEU 84 -0.441 3.099 8.672 647 HD12 LEU 84 2HD1 LEU 84 1.165 2.402 8.462 648 HD13 LEU 84 3HD1 LEU 84 0.963 3.882 9.398 649 HD21 LEU 84 1HD2 LEU 84 0.001 3.529 11.973 650 HD22 LEU 84 2HD2 LEU 84 1.657 3.479 11.365 651 HD23 LEU 84 3HD2 LEU 84 1.062 2.190 12.412 652 H ASP 85 H ASP 85 -3.352 2.352 12.087 653 HA ASP 85 HA ASP 85 -5.434 0.293 11.755 654 HB2 ASP 85 1HB ASP 85 -5.061 2.330 13.896 655 HB3 ASP 85 2HB ASP 85 -6.708 1.993 13.371 656 HA PRO 86 HA PRO 86 -7.298 2.872 8.734 657 HB2 PRO 86 1HB PRO 86 -9.927 2.311 9.108 658 HB3 PRO 86 2HB PRO 86 -8.796 1.168 8.375 659 HG2 PRO 86 1HG PRO 86 -9.808 1.289 11.189 660 HG3 PRO 86 2HG PRO 86 -9.589 -0.123 10.139 661 HD2 PRO 86 1HD PRO 86 -7.812 0.547 12.069 662 HD3 PRO 86 2HD PRO 86 -7.324 -0.236 10.552 663 H GLU 87 H GLU 87 -7.538 3.512 11.985 664 HA GLU 87 HA GLU 87 -9.256 5.864 11.583 665 HB2 GLU 87 1HB GLU 87 -8.595 4.184 13.967 666 HB3 GLU 87 2HB GLU 87 -9.038 5.868 14.209 667 HG2 GLU 87 1HG GLU 87 -10.787 4.185 12.500 668 HG3 GLU 87 2HG GLU 87 -10.831 3.943 14.246 669 H ASP 88 H ASP 88 -6.132 4.819 12.857 670 HA ASP 88 HA ASP 88 -5.255 7.394 13.660 671 HB2 ASP 88 1HB ASP 88 -3.839 4.798 13.094 672 HB3 ASP 88 2HB ASP 88 -2.942 6.260 13.493 673 H VAL 89 H VAL 89 -4.659 5.454 10.742 674 HA VAL 89 HA VAL 89 -2.967 7.288 9.452 675 HB VAL 89 HB VAL 89 -4.828 5.252 8.219 676 HG11 VAL 89 1HG1 VAL 89 -3.775 5.541 6.189 677 HG12 VAL 89 2HG1 VAL 89 -3.826 7.197 6.795 678 HG13 VAL 89 3HG1 VAL 89 -2.337 6.259 6.916 679 HG21 VAL 89 1HG2 VAL 89 -2.746 3.885 8.067 680 HG22 VAL 89 2HG2 VAL 89 -1.939 5.092 9.069 681 HG23 VAL 89 3HG2 VAL 89 -3.298 4.174 9.717 682 H ASN 90 H ASN 90 -6.480 6.799 9.195 683 HA ASN 90 HA ASN 90 -6.934 8.814 7.281 684 HB2 ASN 90 1HB ASN 90 -8.542 6.991 7.862 685 HB3 ASN 90 2HB ASN 90 -8.869 7.818 9.382 686 HD21 ASN 90 1HD2 ASN 90 -11.064 7.598 8.302 687 HD22 ASN 90 2HD2 ASN 90 -11.579 8.941 7.343 688 H VAL 91 H VAL 91 -5.973 10.747 7.769 689 HA VAL 91 HA VAL 91 -7.359 12.458 9.592 690 HB VAL 91 HB VAL 91 -5.902 11.350 11.209 691 HG11 VAL 91 1HG1 VAL 91 -4.085 10.597 9.895 692 HG12 VAL 91 2HG1 VAL 91 -3.711 12.232 9.347 693 HG13 VAL 91 3HG1 VAL 91 -3.418 11.775 11.025 694 HG21 VAL 91 1HG2 VAL 91 -6.449 13.834 11.301 695 HG22 VAL 91 2HG2 VAL 91 -5.084 13.284 12.272 696 HG23 VAL 91 3HG2 VAL 91 -4.800 14.106 10.738 697 H ASP 92 H ASP 92 -6.439 14.682 9.582 698 HA ASP 92 HA ASP 92 -6.048 15.634 7.016 699 HB2 ASP 92 1HB ASP 92 -5.550 16.776 9.737 700 HB3 ASP 92 2HB ASP 92 -4.986 17.661 8.323 701 H GLN 93 H GLN 93 -3.565 15.237 9.546 702 HA GLN 93 HA GLN 93 -1.579 14.847 7.419 703 HB2 GLN 93 1HB GLN 93 -0.010 16.107 9.134 704 HB3 GLN 93 2HB GLN 93 -0.955 16.988 7.942 705 HG2 GLN 93 1HG GLN 93 -2.743 17.138 9.782 706 HG3 GLN 93 2HG GLN 93 -1.435 16.696 10.878 707 HE21 GLN 93 1HE2 GLN 93 -3.105 19.226 9.930 708 HE22 GLN 93 2HE2 GLN 93 -1.904 20.468 9.981 709 HA PRO 94 HA PRO 94 -1.336 11.410 10.462 710 HB2 PRO 94 1HB PRO 94 -0.755 9.524 8.597 711 HB3 PRO 94 2HB PRO 94 -2.407 10.021 8.978 712 HG2 PRO 94 1HG PRO 94 -0.649 10.871 6.709 713 HG3 PRO 94 2HG PRO 94 -2.372 10.450 6.693 714 HD2 PRO 94 1HD PRO 94 -1.498 13.013 6.693 715 HD3 PRO 94 2HD PRO 94 -3.014 12.521 7.474 716 H ASP 95 H ASP 95 0.482 9.695 10.605 717 HA ASP 95 HA ASP 95 3.002 11.129 10.424 718 HB2 ASP 95 1HB ASP 95 2.106 8.615 11.807 719 HB3 ASP 95 2HB ASP 95 3.819 8.984 11.635 720 H GLU 96 H GLU 96 3.746 11.088 8.361 721 HA GLU 96 HA GLU 96 3.502 9.051 6.502 722 HB2 GLU 96 1HB GLU 96 5.485 10.064 5.388 723 HB3 GLU 96 2HB GLU 96 4.254 11.238 5.834 724 HG2 GLU 96 1HG GLU 96 5.736 11.437 8.009 725 HG3 GLU 96 2HG GLU 96 6.987 10.847 6.917 726 H LYS 97 H LYS 97 5.823 9.441 9.097 727 HA LYS 97 HA LYS 97 7.619 7.410 8.256 728 HB2 LYS 97 1HB LYS 97 7.129 8.861 10.833 729 HB3 LYS 97 2HB LYS 97 8.202 7.467 10.807 730 HG2 LYS 97 1HG LYS 97 9.678 9.195 10.501 731 HG3 LYS 97 2HG LYS 97 9.341 8.723 8.833 732 HD2 LYS 97 1HD LYS 97 7.411 10.522 9.113 733 HD3 LYS 97 2HD LYS 97 8.520 11.157 10.331 734 HE2 LYS 97 1HE LYS 97 9.586 10.446 7.641 735 HE3 LYS 97 2HE LYS 97 8.660 11.934 7.819 736 HZ1 LYS 97 1HZ LYS 97 11.037 11.227 9.452 737 HZ2 LYS 97 2HZ LYS 97 10.193 12.692 9.483 738 HZ3 LYS 97 3HZ LYS 97 11.068 12.250 8.105 739 H SER 98 H SER 98 4.824 7.447 10.423 740 HA SER 98 HA SER 98 5.108 4.733 11.247 741 HB2 SER 98 1HB SER 98 3.748 6.752 12.300 742 HB3 SER 98 2HB SER 98 2.448 6.093 11.307 743 HG SER 98 HG SER 98 3.369 4.004 12.412 744 H ILE 99 H ILE 99 3.989 6.196 8.404 745 HA ILE 99 HA ILE 99 2.273 3.944 7.682 746 HB ILE 99 HB ILE 99 2.867 6.505 6.195 747 HG12 ILE 99 1HG1 ILE 99 0.398 5.594 7.689 748 HG13 ILE 99 2HG1 ILE 99 1.535 6.820 8.240 749 HG21 ILE 99 1HG2 ILE 99 0.680 4.564 5.531 750 HG22 ILE 99 2HG2 ILE 99 1.349 5.863 4.543 751 HG23 ILE 99 3HG2 ILE 99 2.295 4.404 4.838 752 HD11 ILE 99 1HD1 ILE 99 -0.423 6.955 5.982 753 HD12 ILE 99 2HD1 ILE 99 -0.247 8.029 7.370 754 HD13 ILE 99 3HD1 ILE 99 0.953 8.054 6.078 755 H ILE 100 H ILE 100 5.059 5.702 6.318 756 HA ILE 100 HA ILE 100 5.658 4.194 4.146 757 HB ILE 100 HB ILE 100 7.570 5.370 6.159 758 HG12 ILE 100 1HG1 ILE 100 7.158 6.379 3.376 759 HG13 ILE 100 2HG1 ILE 100 5.919 6.713 4.581 760 HG21 ILE 100 1HG2 ILE 100 8.228 4.314 3.412 761 HG22 ILE 100 2HG2 ILE 100 9.342 5.087 4.540 762 HG23 ILE 100 3HG2 ILE 100 8.639 3.518 4.932 763 HD11 ILE 100 1HD1 ILE 100 8.780 7.330 5.159 764 HD12 ILE 100 2HD1 ILE 100 7.801 8.428 4.187 765 HD13 ILE 100 3HD1 ILE 100 7.319 8.046 5.839 766 H THR 101 H THR 101 6.041 3.275 7.486 767 HA THR 101 HA THR 101 7.738 1.039 7.066 768 HB THR 101 HB THR 101 5.781 1.433 9.336 769 HG1 THR 101 1HG THR 101 7.571 3.106 8.761 770 HG21 THR 101 1HG2 THR 101 7.111 -0.074 10.567 771 HG22 THR 101 2HG2 THR 101 8.421 -0.009 9.387 772 HG23 THR 101 3HG2 THR 101 6.912 -0.827 8.986 773 H TYR 102 H TYR 102 4.220 1.390 7.348 774 HA TYR 102 HA TYR 102 3.628 -1.369 7.162 775 HB2 TYR 102 1HB TYR 102 2.092 0.473 7.992 776 HB3 TYR 102 2HB TYR 102 1.814 0.886 6.304 777 HD1 TYR 102 2HD TYR 102 1.196 -1.281 4.811 778 HD2 TYR 102 1HD TYR 102 0.516 -0.873 8.991 779 HE1 TYR 102 2HE TYR 102 -0.578 -2.981 4.682 780 HE2 TYR 102 1HE TYR 102 -1.259 -2.573 8.874 781 HH TYR 102 HH TYR 102 -2.332 -4.030 7.586 782 H VAL 103 H VAL 103 3.219 1.202 4.719 783 HA VAL 103 HA VAL 103 2.548 -0.358 2.556 784 HB VAL 103 HB VAL 103 2.441 2.006 2.322 785 HG11 VAL 103 1HG1 VAL 103 5.392 1.962 2.899 786 HG12 VAL 103 2HG1 VAL 103 4.577 3.360 2.197 787 HG13 VAL 103 3HG1 VAL 103 4.115 2.781 3.797 788 HG21 VAL 103 1HG2 VAL 103 4.636 0.965 0.532 789 HG22 VAL 103 2HG2 VAL 103 2.904 0.778 0.261 790 HG23 VAL 103 3HG2 VAL 103 3.635 2.383 0.220 791 H ALA 104 H ALA 104 5.691 0.122 4.003 792 HA ALA 104 HA ALA 104 7.390 -0.707 1.990 793 HB1 ALA 104 1HB ALA 104 8.928 -1.409 3.770 794 HB2 ALA 104 2HB ALA 104 8.197 0.160 4.109 795 HB3 ALA 104 3HB ALA 104 7.616 -1.282 4.943 796 H THR 105 H THR 105 5.420 -2.657 4.172 797 HA THR 105 HA THR 105 6.489 -5.173 3.565 798 HB THR 105 HB THR 105 4.475 -6.129 4.468 799 HG1 THR 105 1HG THR 105 3.212 -3.614 4.607 800 HG21 THR 105 1HG2 THR 105 5.550 -5.427 6.339 801 HG22 THR 105 2HG2 THR 105 4.159 -4.350 6.462 802 HG23 THR 105 3HG2 THR 105 5.671 -3.761 5.772 803 H TYR 106 H TYR 106 3.804 -3.389 2.078 804 HA TYR 106 HA TYR 106 2.876 -5.286 0.309 805 HB2 TYR 106 1HB TYR 106 3.044 -2.293 0.166 806 HB3 TYR 106 2HB TYR 106 2.422 -3.209 -1.202 807 HD1 TYR 106 1HD TYR 106 1.881 -4.353 2.234 808 HD2 TYR 106 2HD TYR 106 0.221 -2.197 -1.036 809 HE1 TYR 106 1HE TYR 106 -0.332 -4.442 3.306 810 HE2 TYR 106 2HE TYR 106 -1.996 -2.279 0.026 811 HH TYR 106 HH TYR 106 -2.800 -4.331 2.443 812 H TYR 107 H TYR 107 5.721 -3.239 0.051 813 HA TYR 107 HA TYR 107 6.304 -4.019 -2.653 814 HB2 TYR 107 1HB TYR 107 7.120 -1.892 -2.120 815 HB3 TYR 107 2HB TYR 107 7.744 -2.416 -0.560 816 HD1 TYR 107 2HD TYR 107 8.297 -2.716 -4.221 817 HD2 TYR 107 1HD TYR 107 9.981 -3.087 -0.331 818 HE1 TYR 107 2HE TYR 107 10.524 -3.017 -5.220 819 HE2 TYR 107 1HE TYR 107 12.213 -3.387 -1.320 820 HH TYR 107 HH TYR 107 12.885 -4.314 -4.099 821 H HIS 108 H HIS 108 8.000 -4.556 0.441 822 HA HIS 108 HA HIS 108 9.864 -6.395 -0.455 823 HB2 HIS 108 1HB HIS 108 8.537 -6.051 2.229 824 HB3 HIS 108 2HB HIS 108 9.793 -7.256 1.959 825 HD1 HIS 108 1HD HIS 108 12.021 -5.990 0.676 826 HD2 HIS 108 2HD HIS 108 9.607 -3.808 3.258 827 HE1 HIS 108 1HE HIS 108 13.416 -4.028 1.403 828 HE2 HIS 108 2HE HIS 108 11.965 -2.768 3.030 829 H TYR 109 H TYR 109 6.788 -7.169 1.185 830 HA TYR 109 HA TYR 109 6.764 -9.866 1.059 831 HB2 TYR 109 1HB TYR 109 4.902 -8.771 2.047 832 HB3 TYR 109 2HB TYR 109 4.506 -7.932 0.551 833 HD1 TYR 109 2HD TYR 109 4.312 -11.120 2.355 834 HD2 TYR 109 1HD TYR 109 3.286 -9.047 -1.217 835 HE1 TYR 109 2HE TYR 109 2.736 -12.915 1.773 836 HE2 TYR 109 1HE TYR 109 1.705 -10.837 -1.808 837 HH TYR 109 HH TYR 109 0.964 -13.442 0.418 838 H PHE 110 H PHE 110 5.038 -8.053 -1.470 839 HA PHE 110 HA PHE 110 4.807 -10.081 -3.304 840 HB2 PHE 110 1HB PHE 110 4.868 -7.114 -3.500 841 HB3 PHE 110 2HB PHE 110 5.019 -8.023 -5.001 842 HD1 PHE 110 2HD PHE 110 3.233 -9.884 -5.375 843 HD2 PHE 110 1HD PHE 110 2.775 -6.622 -2.680 844 HE1 PHE 110 2HE PHE 110 0.791 -10.175 -5.443 845 HE2 PHE 110 1HE PHE 110 0.331 -6.909 -2.742 846 HZ PHE 110 HZ PHE 110 -0.663 -8.687 -4.126 847 H SER 111 H SER 111 7.528 -7.884 -2.828 848 HA SER 111 HA SER 111 9.038 -8.548 -5.072 849 HB2 SER 111 1HB SER 111 9.505 -6.691 -3.424 850 HB3 SER 111 2HB SER 111 10.182 -7.911 -2.346 851 HG SER 111 HG SER 111 11.429 -6.653 -4.258 852 H LYS 112 H LYS 112 8.912 -10.079 -1.883 853 HA LYS 112 HA LYS 112 10.966 -11.859 -1.984 854 HB2 LYS 112 1HB LYS 112 8.152 -12.396 -1.017 855 HB3 LYS 112 2HB LYS 112 9.547 -13.399 -0.641 856 HG2 LYS 112 1HG LYS 112 10.597 -11.351 0.385 857 HG3 LYS 112 2HG LYS 112 9.024 -10.568 0.217 858 HD2 LYS 112 1HD LYS 112 8.027 -12.419 1.546 859 HD3 LYS 112 2HD LYS 112 9.653 -13.057 1.803 860 HE2 LYS 112 1HE LYS 112 9.029 -10.215 2.497 861 HE3 LYS 112 2HE LYS 112 8.562 -11.513 3.595 862 HZ1 LYS 112 1HZ LYS 112 10.742 -10.579 4.129 863 HZ2 LYS 112 2HZ LYS 112 11.320 -11.031 2.605 864 HZ3 LYS 112 3HZ LYS 112 10.851 -12.217 3.717 865 H MET 113 H MET 113 7.714 -12.446 -3.324 866 HA MET 113 HA MET 113 8.091 -14.952 -4.381 867 HB2 MET 113 1HB MET 113 6.554 -12.715 -5.711 868 HB3 MET 113 2HB MET 113 6.313 -14.439 -5.957 869 HG2 MET 113 1HG MET 113 5.651 -14.652 -3.593 870 HG3 MET 113 2HG MET 113 5.816 -12.907 -3.416 871 HE1 MET 113 1HE MET 113 3.530 -14.070 -2.405 872 HE2 MET 113 2HE MET 113 2.016 -13.695 -3.229 873 HE3 MET 113 3HE MET 113 2.808 -15.247 -3.502 874 H LYS 114 H LYS 114 8.113 -15.390 -6.860 875 HA LYS 114 HA LYS 114 10.573 -15.250 -7.893 876 HB2 LYS 114 1HB LYS 114 7.942 -15.044 -9.344 877 HB3 LYS 114 2HB LYS 114 9.469 -15.162 -10.208 878 HG2 LYS 114 1HG LYS 114 9.923 -17.305 -9.211 879 HG3 LYS 114 2HG LYS 114 8.482 -17.177 -8.199 880 HD2 LYS 114 1HD LYS 114 8.200 -16.972 -11.163 881 HD3 LYS 114 2HD LYS 114 8.441 -18.561 -10.432 882 HE2 LYS 114 1HE LYS 114 6.268 -16.601 -9.695 883 HE3 LYS 114 2HE LYS 114 6.060 -18.020 -10.721 884 HZ1 LYS 114 1HZ LYS 114 6.790 -17.991 -7.845 885 HZ2 LYS 114 2HZ LYS 114 6.804 -19.381 -8.807 886 HZ3 LYS 114 3HZ LYS 114 5.351 -18.563 -8.527 887 H ALA 115 H ALA 115 11.814 -13.459 -7.625 888 HA ALA 115 HA ALA 115 11.625 -11.380 -9.527 889 HB1 ALA 115 1HB ALA 115 10.071 -10.966 -7.195 890 HB2 ALA 115 2HB ALA 115 11.442 -9.858 -7.134 891 HB3 ALA 115 3HB ALA 115 10.364 -9.853 -8.530 892 H LEU 116 H LEU 116 13.693 -11.008 -9.947 893 HA LEU 116 HA LEU 116 15.785 -11.702 -8.156 894 HB2 LEU 116 1HB LEU 116 17.238 -10.568 -9.864 895 HB3 LEU 116 2HB LEU 116 16.238 -11.891 -10.460 896 HG LEU 116 HG LEU 116 14.668 -10.257 -11.412 897 HD11 LEU 116 1HD1 LEU 116 15.892 -7.874 -11.559 898 HD12 LEU 116 2HD1 LEU 116 16.415 -8.380 -9.954 899 HD13 LEU 116 3HD1 LEU 116 14.695 -8.279 -10.328 900 HD21 LEU 116 1HD2 LEU 116 16.034 -10.826 -13.113 901 HD22 LEU 116 2HD2 LEU 116 17.501 -10.475 -12.199 902 HD23 LEU 116 3HD2 LEU 116 16.591 -9.162 -12.947 903 H ALA 117 H ALA 117 17.326 -10.339 -7.160 904 HA ALA 117 HA ALA 117 17.127 -7.514 -7.134 905 HB1 ALA 117 1HB ALA 117 15.942 -8.946 -4.760 906 HB2 ALA 117 2HB ALA 117 16.335 -7.227 -4.810 907 HB3 ALA 117 3HB ALA 117 15.098 -7.880 -5.884 908 H VAL 118 H VAL 118 18.336 -6.667 -5.025 909 HA VAL 118 HA VAL 118 20.957 -7.679 -5.166 910 HB VAL 118 HB VAL 118 21.373 -6.233 -3.138 911 HG11 VAL 118 1HG1 VAL 118 20.083 -5.115 -5.613 912 HG12 VAL 118 2HG1 VAL 118 20.833 -4.094 -4.386 913 HG13 VAL 118 3HG1 VAL 118 21.801 -5.285 -5.256 914 HG21 VAL 118 1HG2 VAL 118 18.450 -6.210 -3.189 915 HG22 VAL 118 2HG2 VAL 118 19.564 -5.855 -1.868 916 HG23 VAL 118 3HG2 VAL 118 19.173 -4.607 -3.051 917 H GLU 119 H GLU 119 20.926 -9.888 -4.693 918 HA GLU 119 HA GLU 119 19.795 -11.347 -2.772 919 HB2 GLU 119 1HB GLU 119 22.611 -11.388 -3.792 920 HB3 GLU 119 2HB GLU 119 22.136 -12.494 -2.510 921 HG2 GLU 119 1HG GLU 119 20.582 -12.304 -5.063 922 HG3 GLU 119 2HG GLU 119 22.018 -13.318 -4.925 923 H GLY 120 H GLY 120 20.143 -11.906 -0.596 924 HA2 GLY 120 1HA GLY 120 22.084 -10.533 1.010 925 HA3 GLY 120 2HA GLY 120 20.464 -9.886 1.221 926 H LYS 121 H LYS 121 20.234 -10.537 3.339 927 HA LYS 121 HA LYS 121 19.324 -13.205 3.738 928 HB2 LYS 121 1HB LYS 121 21.922 -13.291 3.858 929 HB3 LYS 121 2HB LYS 121 21.712 -12.518 5.423 930 HG2 LYS 121 1HG LYS 121 20.286 -14.387 6.137 931 HG3 LYS 121 2HG LYS 121 20.560 -15.169 4.579 932 HD2 LYS 121 1HD LYS 121 22.095 -16.176 6.048 933 HD3 LYS 121 2HD LYS 121 23.045 -15.014 5.120 934 HE2 LYS 121 1HE LYS 121 23.295 -13.589 6.908 935 HE3 LYS 121 2HE LYS 121 21.828 -14.157 7.703 936 HZ1 LYS 121 1HZ LYS 121 23.538 -16.326 7.579 937 HZ2 LYS 121 2HZ LYS 121 23.110 -15.437 8.952 938 HZ3 LYS 121 3HZ LYS 121 24.494 -15.021 8.073 939 H SER 122 H SER 122 18.326 -13.509 5.791 940 HA SER 122 HA SER 122 18.371 -11.603 7.865 941 HB2 SER 122 1HB SER 122 16.196 -10.536 7.562 942 HB3 SER 122 2HB SER 122 17.229 -10.198 6.174 943 HG SER 122 HG SER 122 15.174 -12.153 6.324 944 H GLY 123 H GLY 123 17.732 -12.646 9.635 945 HA2 GLY 123 1HA GLY 123 15.659 -14.726 9.370 946 HA3 GLY 123 2HA GLY 123 17.167 -15.077 10.202 947 HA PRO 124 HA PRO 124 14.816 -11.837 12.931 948 HB2 PRO 124 1HB PRO 124 12.234 -11.347 12.253 949 HB3 PRO 124 2HB PRO 124 13.588 -10.401 11.624 950 HG2 PRO 124 1HG PRO 124 12.087 -12.647 10.335 951 HG3 PRO 124 2HG PRO 124 12.631 -11.114 9.628 952 HD2 PRO 124 1HD PRO 124 13.961 -13.444 9.258 953 HD3 PRO 124 2HD PRO 124 14.787 -11.873 9.329 954 H SER 125 H SER 125 12.645 -11.977 14.316 955 HA SER 125 HA SER 125 11.462 -14.603 14.403 956 HB2 SER 125 1HB SER 125 12.261 -15.180 16.645 957 HB3 SER 125 2HB SER 125 13.621 -15.003 15.536 958 HG SER 125 HG SER 125 12.989 -13.563 17.772 959 H SER 126 H SER 126 10.108 -14.769 16.540 960 HA SER 126 HA SER 126 9.246 -12.383 17.792 961 HB2 SER 126 1HB SER 126 6.954 -12.298 16.778 962 HB3 SER 126 2HB SER 126 8.242 -11.835 15.666 963 HG SER 126 HG SER 126 8.153 -14.028 14.875 964 H GLY 127 H GLY 127 7.830 -12.777 19.486 965 HA2 GLY 127 1HA GLY 127 6.060 -14.712 20.002 966 HA3 GLY 127 2HA GLY 127 7.574 -15.582 20.209 Start of MODEL 6 1 H1 GLY 1 H GLY 1 10.888 11.071 -19.705 2 HA2 GLY 1 1HA GLY 1 9.270 10.512 -17.439 3 HA3 GLY 1 2HA GLY 1 10.506 9.459 -18.112 4 H SER 2 H SER 2 10.954 8.920 -15.869 5 HA SER 2 HA SER 2 12.896 10.792 -14.726 6 HB2 SER 2 1HB SER 2 12.022 10.460 -12.468 7 HB3 SER 2 2HB SER 2 10.766 11.127 -13.511 8 HG SER 2 HG SER 2 10.353 8.662 -13.791 9 H SER 3 H SER 3 14.762 9.767 -14.530 10 HA SER 3 HA SER 3 14.776 6.980 -13.616 11 HB2 SER 3 1HB SER 3 14.997 7.037 -16.114 12 HB3 SER 3 2HB SER 3 16.481 7.971 -15.913 13 HG SER 3 HG SER 3 16.442 5.465 -16.048 14 H GLY 4 H GLY 4 15.763 7.150 -11.703 15 HA2 GLY 4 1HA GLY 4 17.956 7.171 -10.647 16 HA3 GLY 4 2HA GLY 4 18.348 8.573 -11.631 17 H SER 5 H SER 5 17.004 7.454 -8.693 18 HA SER 5 HA SER 5 15.816 10.016 -8.009 19 HB2 SER 5 1HB SER 5 16.043 7.393 -6.529 20 HB3 SER 5 2HB SER 5 15.354 8.845 -5.804 21 HG SER 5 HG SER 5 13.583 8.469 -6.854 22 H SER 6 H SER 6 16.347 10.709 -5.616 23 HA SER 6 HA SER 6 19.177 10.459 -4.990 24 HB2 SER 6 1HB SER 6 19.263 12.329 -6.490 25 HB3 SER 6 2HB SER 6 17.870 13.087 -5.718 26 HG SER 6 HG SER 6 20.156 12.520 -4.191 27 H GLY 7 H GLY 7 19.325 10.127 -2.878 28 HA2 GLY 7 1HA GLY 7 19.065 10.859 -0.621 29 HA3 GLY 7 2HA GLY 7 17.548 11.621 -1.077 30 H ALA 8 H ALA 8 17.315 10.264 1.116 31 HA ALA 8 HA ALA 8 16.672 7.482 0.637 32 HB1 ALA 8 1HB ALA 8 17.035 9.206 2.974 33 HB2 ALA 8 2HB ALA 8 15.746 8.014 3.146 34 HB3 ALA 8 3HB ALA 8 17.385 7.491 2.761 35 H LYS 9 H LYS 9 14.566 6.578 1.178 36 HA LYS 9 HA LYS 9 12.299 6.447 1.014 37 HB2 LYS 9 1HB LYS 9 12.388 8.246 2.759 38 HB3 LYS 9 2HB LYS 9 12.291 9.436 1.467 39 HG2 LYS 9 1HG LYS 9 10.144 8.091 0.806 40 HG3 LYS 9 2HG LYS 9 10.208 7.574 2.492 41 HD2 LYS 9 1HD LYS 9 8.888 9.469 2.616 42 HD3 LYS 9 2HD LYS 9 10.489 10.112 2.985 43 HE2 LYS 9 1HE LYS 9 10.672 10.605 0.486 44 HE3 LYS 9 2HE LYS 9 8.937 10.305 0.419 45 HZ1 LYS 9 1HZ LYS 9 8.485 12.141 1.729 46 HZ2 LYS 9 2HZ LYS 9 9.754 12.694 0.757 47 HZ3 LYS 9 3HZ LYS 9 10.055 12.228 2.356 48 H ASP 10 H ASP 10 13.645 6.481 -1.333 49 HA ASP 10 HA ASP 10 11.867 8.052 -3.078 50 HB2 ASP 10 1HB ASP 10 14.784 7.417 -3.573 51 HB3 ASP 10 2HB ASP 10 13.715 8.263 -4.688 52 H ALA 11 H ALA 11 13.874 5.152 -2.765 53 HA ALA 11 HA ALA 11 13.140 3.857 -5.117 54 HB1 ALA 11 1HB ALA 11 14.754 2.594 -4.230 55 HB2 ALA 11 2HB ALA 11 14.376 3.106 -2.586 56 HB3 ALA 11 3HB ALA 11 13.462 1.797 -3.333 57 H LEU 12 H LEU 12 11.536 3.949 -1.972 58 HA LEU 12 HA LEU 12 9.519 2.048 -2.686 59 HB2 LEU 12 1HB LEU 12 10.337 2.660 -0.348 60 HB3 LEU 12 2HB LEU 12 9.321 4.093 -0.493 61 HG LEU 12 HG LEU 12 7.361 2.574 -0.816 62 HD11 LEU 12 1HD1 LEU 12 9.296 0.434 0.055 63 HD12 LEU 12 2HD1 LEU 12 8.640 0.609 -1.573 64 HD13 LEU 12 3HD1 LEU 12 7.565 0.242 -0.225 65 HD21 LEU 12 1HD2 LEU 12 8.681 3.345 1.515 66 HD22 LEU 12 2HD2 LEU 12 8.250 1.653 1.768 67 HD23 LEU 12 3HD2 LEU 12 7.001 2.830 1.362 68 H LEU 13 H LEU 13 9.421 5.571 -2.120 69 HA LEU 13 HA LEU 13 6.840 6.122 -2.792 70 HB2 LEU 13 1HB LEU 13 8.428 7.802 -2.022 71 HB3 LEU 13 2HB LEU 13 9.277 7.720 -3.563 72 HG LEU 13 HG LEU 13 7.184 8.566 -4.657 73 HD11 LEU 13 1HD1 LEU 13 5.313 8.547 -3.464 74 HD12 LEU 13 2HD1 LEU 13 5.973 9.885 -2.525 75 HD13 LEU 13 3HD1 LEU 13 6.194 8.225 -1.971 76 HD21 LEU 13 1HD2 LEU 13 8.848 10.166 -4.423 77 HD22 LEU 13 2HD2 LEU 13 8.744 10.165 -2.663 78 HD23 LEU 13 3HD2 LEU 13 7.468 10.915 -3.622 79 H LEU 14 H LEU 14 9.554 5.746 -5.048 80 HA LEU 14 HA LEU 14 8.137 6.310 -7.403 81 HB2 LEU 14 1HB LEU 14 10.480 6.311 -7.535 82 HB3 LEU 14 2HB LEU 14 10.604 4.703 -6.823 83 HG LEU 14 HG LEU 14 9.611 3.774 -8.912 84 HD11 LEU 14 1HD1 LEU 14 9.966 6.600 -9.900 85 HD12 LEU 14 2HD1 LEU 14 8.438 5.741 -9.698 86 HD13 LEU 14 3HD1 LEU 14 9.600 5.202 -10.911 87 HD21 LEU 14 1HD2 LEU 14 11.985 3.675 -8.624 88 HD22 LEU 14 2HD2 LEU 14 12.169 5.358 -9.121 89 HD23 LEU 14 3HD2 LEU 14 11.655 4.143 -10.293 90 H TRP 15 H TRP 15 8.675 3.273 -5.673 91 HA TRP 15 HA TRP 15 7.611 1.496 -7.519 92 HB2 TRP 15 1HB TRP 15 8.775 0.939 -5.339 93 HB3 TRP 15 2HB TRP 15 7.246 1.269 -4.529 94 HD1 TRP 15 HD TRP 15 8.531 -1.058 -7.365 95 HE1 TRP 15 1HE TRP 15 7.264 -3.290 -7.185 96 HE3 TRP 15 3HE TRP 15 5.410 0.093 -3.483 97 HZ2 TRP 15 2HZ TRP 15 5.210 -4.414 -5.606 98 HZ3 TRP 15 3HZ TRP 15 3.824 -1.616 -2.700 99 HH2 TRP 15 HH TRP 15 3.727 -3.822 -3.741 100 H CYS 16 H CYS 16 5.879 2.872 -4.716 101 HA CYS 16 HA CYS 16 3.345 1.968 -5.389 102 HB2 CYS 16 1HB CYS 16 4.050 4.543 -3.965 103 HB3 CYS 16 2HB CYS 16 2.487 3.735 -3.919 104 HG CYS 16 HG CYS 16 3.249 1.622 -2.403 105 H GLN 17 H GLN 17 5.039 4.886 -6.413 106 HA GLN 17 HA GLN 17 2.880 6.148 -7.697 107 HB2 GLN 17 1HB GLN 17 5.845 6.367 -7.816 108 HB3 GLN 17 2HB GLN 17 4.926 7.088 -9.129 109 HG2 GLN 17 1HG GLN 17 3.562 8.215 -7.252 110 HG3 GLN 17 2HG GLN 17 4.933 7.793 -6.226 111 HE21 GLN 17 1HE2 GLN 17 4.860 10.226 -6.085 112 HE22 GLN 17 2HE2 GLN 17 5.818 11.099 -7.227 113 H MET 18 H MET 18 5.272 3.817 -8.859 114 HA MET 18 HA MET 18 4.428 3.878 -11.570 115 HB2 MET 18 1HB MET 18 6.000 1.851 -9.980 116 HB3 MET 18 2HB MET 18 5.688 1.686 -11.702 117 HG2 MET 18 1HG MET 18 6.753 4.000 -11.925 118 HG3 MET 18 2HG MET 18 7.348 3.735 -10.288 119 HE1 MET 18 1HE MET 18 8.659 1.985 -9.510 120 HE2 MET 18 2HE MET 18 8.495 0.446 -10.358 121 HE3 MET 18 3HE MET 18 10.026 1.323 -10.407 122 H LYS 19 H LYS 19 3.687 1.742 -8.840 123 HA LYS 19 HA LYS 19 2.013 -0.017 -10.303 124 HB2 LYS 19 1HB LYS 19 1.979 0.562 -7.336 125 HB3 LYS 19 2HB LYS 19 1.302 -0.853 -8.129 126 HG2 LYS 19 1HG LYS 19 4.218 -0.113 -8.004 127 HG3 LYS 19 2HG LYS 19 3.417 -1.384 -7.077 128 HD2 LYS 19 1HD LYS 19 2.724 -2.292 -9.409 129 HD3 LYS 19 2HD LYS 19 4.040 -1.278 -10.004 130 HE2 LYS 19 1HE LYS 19 5.535 -2.419 -8.340 131 HE3 LYS 19 2HE LYS 19 4.210 -3.536 -8.017 132 HZ1 LYS 19 1HZ LYS 19 4.874 -4.725 -9.744 133 HZ2 LYS 19 2HZ LYS 19 6.091 -3.607 -10.105 134 HZ3 LYS 19 3HZ LYS 19 4.550 -3.424 -10.777 135 H THR 20 H THR 20 1.157 2.480 -7.900 136 HA THR 20 HA THR 20 -1.599 2.420 -8.339 137 HB THR 20 HB THR 20 -1.691 4.617 -7.270 138 HG1 THR 20 1HG THR 20 0.997 4.652 -8.029 139 HG21 THR 20 1HG2 THR 20 -1.385 2.669 -5.836 140 HG22 THR 20 2HG2 THR 20 -0.521 4.058 -5.177 141 HG23 THR 20 3HG2 THR 20 0.364 2.789 -6.021 142 H ALA 21 H ALA 21 0.933 3.797 -10.223 143 HA ALA 21 HA ALA 21 -0.200 5.898 -11.547 144 HB1 ALA 21 1HB ALA 21 1.131 4.133 -13.423 145 HB2 ALA 21 2HB ALA 21 1.596 5.737 -12.854 146 HB3 ALA 21 3HB ALA 21 2.031 4.308 -11.917 147 H GLY 22 H GLY 22 -0.751 2.453 -12.153 148 HA2 GLY 22 1HA GLY 22 -2.118 2.374 -14.474 149 HA3 GLY 22 2HA GLY 22 -2.621 1.440 -13.073 150 H TYR 23 H TYR 23 -3.413 3.606 -11.424 151 HA TYR 23 HA TYR 23 -5.930 4.280 -12.753 152 HB2 TYR 23 1HB TYR 23 -5.293 4.753 -9.847 153 HB3 TYR 23 2HB TYR 23 -6.870 4.565 -10.606 154 HD1 TYR 23 2HD TYR 23 -3.756 2.711 -9.777 155 HD2 TYR 23 1HD TYR 23 -7.905 2.466 -10.689 156 HE1 TYR 23 2HE TYR 23 -3.731 0.316 -9.219 157 HE2 TYR 23 1HE TYR 23 -7.892 0.070 -10.132 158 HH TYR 23 HH TYR 23 -6.631 -1.531 -8.914 159 HA PRO 24 HA PRO 24 -4.661 8.465 -13.372 160 HB2 PRO 24 1HB PRO 24 -7.117 9.522 -13.846 161 HB3 PRO 24 2HB PRO 24 -6.253 8.530 -15.027 162 HG2 PRO 24 1HG PRO 24 -8.440 7.751 -13.137 163 HG3 PRO 24 2HG PRO 24 -8.227 7.315 -14.842 164 HD2 PRO 24 1HD PRO 24 -7.577 5.638 -12.817 165 HD3 PRO 24 2HD PRO 24 -6.696 5.661 -14.357 166 H ASN 25 H ASN 25 -7.639 8.043 -11.444 167 HA ASN 25 HA ASN 25 -7.514 10.451 -10.055 168 HB2 ASN 25 1HB ASN 25 -8.737 7.781 -9.398 169 HB3 ASN 25 2HB ASN 25 -8.836 9.126 -8.267 170 HD21 ASN 25 1HD2 ASN 25 -11.118 9.019 -8.524 171 HD22 ASN 25 2HD2 ASN 25 -11.878 9.733 -9.903 172 H VAL 26 H VAL 26 -6.150 7.287 -9.217 173 HA VAL 26 HA VAL 26 -5.098 8.065 -6.708 174 HB VAL 26 HB VAL 26 -4.054 5.867 -8.494 175 HG11 VAL 26 1HG1 VAL 26 -2.573 6.319 -6.662 176 HG12 VAL 26 2HG1 VAL 26 -3.918 6.330 -5.518 177 HG13 VAL 26 3HG1 VAL 26 -3.448 4.828 -6.314 178 HG21 VAL 26 1HG2 VAL 26 -6.109 5.488 -6.347 179 HG22 VAL 26 2HG2 VAL 26 -6.582 5.898 -7.995 180 HG23 VAL 26 3HG2 VAL 26 -5.683 4.414 -7.679 181 H ASN 27 H ASN 27 -2.889 8.406 -6.121 182 HA ASN 27 HA ASN 27 -0.815 8.790 -7.995 183 HB2 ASN 27 1HB ASN 27 -2.504 11.149 -7.320 184 HB3 ASN 27 2HB ASN 27 -0.763 11.394 -7.410 185 HD21 ASN 27 1HD2 ASN 27 0.199 10.204 -9.420 186 HD22 ASN 27 2HD2 ASN 27 -0.619 10.538 -10.905 187 H VAL 28 H VAL 28 0.691 7.958 -6.687 188 HA VAL 28 HA VAL 28 0.766 8.611 -3.867 189 HB VAL 28 HB VAL 28 2.675 6.925 -5.493 190 HG11 VAL 28 1HG1 VAL 28 3.062 7.987 -2.995 191 HG12 VAL 28 2HG1 VAL 28 2.406 6.388 -2.638 192 HG13 VAL 28 3HG1 VAL 28 3.855 6.546 -3.632 193 HG21 VAL 28 1HG2 VAL 28 0.956 5.503 -3.657 194 HG22 VAL 28 2HG2 VAL 28 0.018 6.398 -4.853 195 HG23 VAL 28 3HG2 VAL 28 1.233 5.232 -5.378 196 H HIS 29 H HIS 29 1.147 10.921 -4.226 197 HA HIS 29 HA HIS 29 3.830 11.618 -5.151 198 HB2 HIS 29 1HB HIS 29 1.913 12.951 -5.959 199 HB3 HIS 29 2HB HIS 29 1.545 13.411 -4.299 200 HD1 HIS 29 1HD HIS 29 2.308 15.706 -3.845 201 HD2 HIS 29 2HD HIS 29 4.868 13.732 -6.454 202 HE1 HIS 29 1HE HIS 29 4.134 17.354 -4.372 203 HE2 HIS 29 2HE HIS 29 5.624 16.167 -6.019 204 H ASN 30 H ASN 30 1.865 11.556 -2.249 205 HA ASN 30 HA ASN 30 4.257 12.282 -0.691 206 HB2 ASN 30 1HB ASN 30 2.356 13.047 1.014 207 HB3 ASN 30 2HB ASN 30 2.994 14.133 -0.218 208 HD21 ASN 30 1HD2 ASN 30 0.296 12.231 0.810 209 HD22 ASN 30 2HD2 ASN 30 -0.841 12.847 -0.335 210 H PHE 31 H PHE 31 3.769 11.648 1.750 211 HA PHE 31 HA PHE 31 2.742 8.885 1.722 212 HB2 PHE 31 1HB PHE 31 5.188 10.056 3.015 213 HB3 PHE 31 2HB PHE 31 4.438 8.606 3.674 214 HD1 PHE 31 2HD PHE 31 3.914 6.752 1.836 215 HD2 PHE 31 1HD PHE 31 6.883 9.784 1.500 216 HE1 PHE 31 2HE PHE 31 5.127 5.378 0.193 217 HE2 PHE 31 1HE PHE 31 8.099 8.416 -0.144 218 HZ PHE 31 HZ PHE 31 7.222 6.210 -0.798 219 H THR 32 H THR 32 1.434 11.476 2.421 220 HA THR 32 HA THR 32 0.588 10.722 5.137 221 HB THR 32 HB THR 32 0.186 13.181 5.567 222 HG1 THR 32 1HG THR 32 2.104 13.714 3.580 223 HG21 THR 32 1HG2 THR 32 3.100 12.622 5.093 224 HG22 THR 32 2HG2 THR 32 2.193 11.783 6.351 225 HG23 THR 32 3HG2 THR 32 2.350 13.539 6.398 226 H THR 33 H THR 33 -0.435 13.239 2.842 227 HA THR 33 HA THR 33 -3.204 12.475 3.221 228 HB THR 33 HB THR 33 -3.767 14.428 1.908 229 HG1 THR 33 1HG THR 33 -2.196 14.434 0.325 230 HG21 THR 33 1HG2 THR 33 -1.798 14.636 4.111 231 HG22 THR 33 2HG2 THR 33 -3.442 15.265 3.996 232 HG23 THR 33 3HG2 THR 33 -2.116 16.107 3.193 233 H SER 34 H SER 34 -1.113 10.857 1.651 234 HA SER 34 HA SER 34 -2.484 10.737 -0.940 235 HB2 SER 34 1HB SER 34 0.240 10.022 0.011 236 HB3 SER 34 2HB SER 34 -0.446 9.019 -1.267 237 HG SER 34 HG SER 34 -0.968 11.346 -2.113 238 H TRP 35 H TRP 35 -2.032 9.022 2.018 239 HA TRP 35 HA TRP 35 -3.426 6.683 0.891 240 HB2 TRP 35 1HB TRP 35 -1.831 6.719 3.454 241 HB3 TRP 35 2HB TRP 35 -2.404 5.316 2.556 242 HD1 TRP 35 HD TRP 35 0.088 8.249 2.041 243 HE1 TRP 35 1HE TRP 35 2.053 7.375 0.629 244 HE3 TRP 35 3HE TRP 35 -1.596 3.504 1.157 245 HZ2 TRP 35 2HZ TRP 35 2.792 4.990 -0.688 246 HZ3 TRP 35 3HZ TRP 35 -0.200 1.989 -0.189 247 HH2 TRP 35 HH TRP 35 1.948 2.718 -1.091 248 H ARG 36 H ARG 36 -3.594 9.268 3.134 249 HA ARG 36 HA ARG 36 -5.198 8.448 5.162 250 HB2 ARG 36 1HB ARG 36 -4.553 10.721 5.124 251 HB3 ARG 36 2HB ARG 36 -5.282 10.985 3.545 252 HG2 ARG 36 1HG ARG 36 -7.510 10.486 4.696 253 HG3 ARG 36 2HG ARG 36 -6.627 10.705 6.207 254 HD2 ARG 36 1HD ARG 36 -6.039 12.950 5.610 255 HD3 ARG 36 2HD ARG 36 -6.695 12.741 3.987 256 HE ARG 36 HE ARG 36 -8.148 13.411 6.349 257 HH11 ARG 36 1HH1 ARG 36 -8.370 11.759 3.292 258 HH12 ARG 36 2HH1 ARG 36 -10.086 11.958 3.162 259 HH21 ARG 36 1HH2 ARG 36 -10.407 13.679 6.188 260 HH22 ARG 36 2HH2 ARG 36 -11.244 13.051 4.809 261 H ASP 37 H ASP 37 -6.231 9.175 1.855 262 HA ASP 37 HA ASP 37 -8.993 8.856 2.259 263 HB2 ASP 37 1HB ASP 37 -9.190 8.766 -0.118 264 HB3 ASP 37 2HB ASP 37 -7.868 9.874 0.239 265 H GLY 38 H GLY 38 -6.521 6.541 1.167 266 HA2 GLY 38 1HA GLY 38 -6.727 4.274 2.160 267 HA3 GLY 38 2HA GLY 38 -8.441 4.380 1.787 268 H LEU 39 H LEU 39 -8.377 5.400 -0.778 269 HA LEU 39 HA LEU 39 -8.327 3.302 -2.433 270 HB2 LEU 39 1HB LEU 39 -7.234 6.009 -3.187 271 HB3 LEU 39 2HB LEU 39 -7.875 4.799 -4.296 272 HG LEU 39 HG LEU 39 -9.507 6.180 -2.168 273 HD11 LEU 39 1HD1 LEU 39 -10.094 7.811 -3.622 274 HD12 LEU 39 2HD1 LEU 39 -9.900 6.777 -5.036 275 HD13 LEU 39 3HD1 LEU 39 -8.483 7.485 -4.262 276 HD21 LEU 39 1HD2 LEU 39 -10.181 4.338 -4.451 277 HD22 LEU 39 2HD2 LEU 39 -11.382 5.337 -3.630 278 HD23 LEU 39 3HD2 LEU 39 -10.496 4.103 -2.731 279 H ALA 40 H ALA 40 -5.465 5.380 -1.959 280 HA ALA 40 HA ALA 40 -3.584 4.245 -3.482 281 HB1 ALA 40 1HB ALA 40 -3.537 5.509 -0.844 282 HB2 ALA 40 2HB ALA 40 -2.149 4.469 -1.173 283 HB3 ALA 40 3HB ALA 40 -2.532 5.802 -2.263 284 H PHE 41 H PHE 41 -4.267 3.017 -0.199 285 HA PHE 41 HA PHE 41 -2.672 0.728 -0.394 286 HB2 PHE 41 1HB PHE 41 -5.069 1.383 1.311 287 HB3 PHE 41 2HB PHE 41 -4.210 -0.146 1.457 288 HD1 PHE 41 1HD PHE 41 -1.514 0.260 1.539 289 HD2 PHE 41 2HD PHE 41 -4.524 2.959 2.870 290 HE1 PHE 41 1HE PHE 41 0.110 1.316 3.056 291 HE2 PHE 41 2HE PHE 41 -2.905 4.021 4.388 292 HZ PHE 41 HZ PHE 41 -0.585 3.201 4.483 293 H ASN 42 H ASN 42 -6.063 1.263 -1.211 294 HA ASN 42 HA ASN 42 -6.555 -1.489 -1.865 295 HB2 ASN 42 1HB ASN 42 -8.179 0.960 -2.590 296 HB3 ASN 42 2HB ASN 42 -8.729 -0.712 -2.642 297 HD21 ASN 42 1HD2 ASN 42 -8.146 2.041 -0.682 298 HD22 ASN 42 2HD2 ASN 42 -8.757 1.392 0.797 299 H ALA 43 H ALA 43 -4.730 0.780 -3.349 300 HA ALA 43 HA ALA 43 -5.476 0.036 -6.080 301 HB1 ALA 43 1HB ALA 43 -4.719 2.036 -6.706 302 HB2 ALA 43 2HB ALA 43 -4.636 2.425 -4.987 303 HB3 ALA 43 3HB ALA 43 -3.205 1.828 -5.826 304 H ILE 44 H ILE 44 -2.928 -0.363 -3.719 305 HA ILE 44 HA ILE 44 -0.964 -1.402 -5.484 306 HB ILE 44 HB ILE 44 -1.280 -1.811 -2.507 307 HG12 ILE 44 1HG1 ILE 44 0.566 0.073 -3.980 308 HG13 ILE 44 2HG1 ILE 44 -1.003 0.558 -3.349 309 HG21 ILE 44 1HG2 ILE 44 0.114 -3.542 -3.496 310 HG22 ILE 44 2HG2 ILE 44 1.093 -2.314 -4.298 311 HG23 ILE 44 3HG2 ILE 44 1.092 -2.430 -2.538 312 HD11 ILE 44 1HD1 ILE 44 1.183 -0.602 -1.647 313 HD12 ILE 44 2HD1 ILE 44 0.942 1.127 -1.901 314 HD13 ILE 44 3HD1 ILE 44 -0.310 0.168 -1.112 315 H VAL 45 H VAL 45 -3.340 -2.945 -3.340 316 HA VAL 45 HA VAL 45 -2.595 -5.607 -3.965 317 HB VAL 45 HB VAL 45 -5.242 -4.573 -2.936 318 HG11 VAL 45 1HG1 VAL 45 -4.544 -7.230 -2.095 319 HG12 VAL 45 2HG1 VAL 45 -5.988 -6.666 -2.939 320 HG13 VAL 45 3HG1 VAL 45 -4.554 -7.129 -3.855 321 HG21 VAL 45 1HG2 VAL 45 -2.773 -5.541 -1.505 322 HG22 VAL 45 2HG2 VAL 45 -3.490 -3.933 -1.433 323 HG23 VAL 45 3HG2 VAL 45 -4.338 -5.309 -0.727 324 H HIS 46 H HIS 46 -5.586 -3.883 -4.871 325 HA HIS 46 HA HIS 46 -6.728 -5.530 -6.630 326 HB2 HIS 46 1HB HIS 46 -7.495 -3.211 -6.130 327 HB3 HIS 46 2HB HIS 46 -6.279 -2.604 -7.250 328 HD1 HIS 46 1HD HIS 46 -6.595 -3.491 -9.806 329 HD2 HIS 46 2HD HIS 46 -9.881 -3.802 -7.284 330 HE1 HIS 46 1HE HIS 46 -8.580 -3.782 -11.322 331 HE2 HIS 46 2HE HIS 46 -10.566 -3.882 -9.777 332 H LYS 47 H LYS 47 -3.840 -3.617 -7.300 333 HA LYS 47 HA LYS 47 -3.612 -4.200 -10.037 334 HB2 LYS 47 1HB LYS 47 -2.333 -2.452 -8.722 335 HB3 LYS 47 2HB LYS 47 -1.304 -3.756 -8.143 336 HG2 LYS 47 1HG LYS 47 -0.079 -2.984 -9.912 337 HG3 LYS 47 2HG LYS 47 -1.015 -4.262 -10.690 338 HD2 LYS 47 1HD LYS 47 -2.466 -2.735 -11.711 339 HD3 LYS 47 2HD LYS 47 -1.998 -1.427 -10.622 340 HE2 LYS 47 1HE LYS 47 -0.011 -1.038 -11.736 341 HE3 LYS 47 2HE LYS 47 0.042 -2.661 -12.423 342 HZ1 LYS 47 1HZ LYS 47 -0.917 -0.335 -13.610 343 HZ2 LYS 47 2HZ LYS 47 -2.257 -1.334 -13.353 344 HZ3 LYS 47 3HZ LYS 47 -0.936 -1.905 -14.242 345 H HIS 48 H HIS 48 -2.221 -5.818 -7.197 346 HA HIS 48 HA HIS 48 -0.985 -7.875 -8.778 347 HB2 HIS 48 1HB HIS 48 -1.485 -7.954 -5.803 348 HB3 HIS 48 2HB HIS 48 -0.236 -8.800 -6.713 349 HD1 HIS 48 1HD HIS 48 1.343 -6.848 -8.113 350 HD2 HIS 48 2HD HIS 48 -0.406 -5.883 -4.470 351 HE1 HIS 48 1HE HIS 48 2.662 -4.898 -7.229 352 HE2 HIS 48 2HE HIS 48 1.639 -4.385 -4.985 353 H ARG 49 H ARG 49 -3.716 -7.793 -6.491 354 HA ARG 49 HA ARG 49 -4.818 -10.144 -7.877 355 HB2 ARG 49 1HB ARG 49 -4.863 -9.603 -4.903 356 HB3 ARG 49 2HB ARG 49 -5.712 -10.920 -5.701 357 HG2 ARG 49 1HG ARG 49 -2.744 -10.600 -5.952 358 HG3 ARG 49 2HG ARG 49 -3.474 -11.429 -4.576 359 HD2 ARG 49 1HD ARG 49 -4.069 -12.156 -7.434 360 HD3 ARG 49 2HD ARG 49 -2.758 -12.890 -6.513 361 HE ARG 49 HE ARG 49 -5.595 -13.355 -6.187 362 HH11 ARG 49 1HH1 ARG 49 -2.410 -13.672 -4.819 363 HH12 ARG 49 2HH1 ARG 49 -2.857 -14.959 -3.747 364 HH21 ARG 49 1HH2 ARG 49 -6.195 -15.048 -4.781 365 HH22 ARG 49 2HH2 ARG 49 -5.009 -15.741 -3.727 366 HA PRO 50 HA PRO 50 -7.921 -6.768 -8.086 367 HB2 PRO 50 1HB PRO 50 -8.872 -7.514 -10.517 368 HB3 PRO 50 2HB PRO 50 -7.448 -6.486 -10.317 369 HG2 PRO 50 1HG PRO 50 -7.601 -9.427 -10.855 370 HG3 PRO 50 2HG PRO 50 -6.528 -8.211 -11.576 371 HD2 PRO 50 1HD PRO 50 -5.722 -9.878 -9.600 372 HD3 PRO 50 2HD PRO 50 -5.092 -8.227 -9.773 373 H ASP 51 H ASP 51 -7.976 -10.013 -7.554 374 HA ASP 51 HA ASP 51 -10.780 -10.508 -8.012 375 HB2 ASP 51 1HB ASP 51 -8.883 -12.240 -8.086 376 HB3 ASP 51 2HB ASP 51 -8.952 -12.207 -6.326 377 H LEU 52 H LEU 52 -8.689 -9.897 -5.223 378 HA LEU 52 HA LEU 52 -10.487 -10.300 -3.165 379 HB2 LEU 52 1HB LEU 52 -8.419 -8.112 -3.307 380 HB3 LEU 52 2HB LEU 52 -9.132 -8.790 -1.844 381 HG LEU 52 HG LEU 52 -7.232 -10.151 -3.748 382 HD11 LEU 52 1HD1 LEU 52 -6.961 -8.714 -1.228 383 HD12 LEU 52 2HD1 LEU 52 -5.739 -9.161 -2.417 384 HD13 LEU 52 3HD1 LEU 52 -6.246 -10.326 -1.195 385 HD21 LEU 52 1HD2 LEU 52 -8.703 -11.861 -3.112 386 HD22 LEU 52 2HD2 LEU 52 -8.867 -11.233 -1.472 387 HD23 LEU 52 3HD2 LEU 52 -7.357 -11.989 -1.981 388 H LEU 53 H LEU 53 -9.739 -7.138 -4.648 389 HA LEU 53 HA LEU 53 -12.509 -6.324 -4.069 390 HB2 LEU 53 1HB LEU 53 -11.742 -4.090 -3.569 391 HB3 LEU 53 2HB LEU 53 -10.948 -5.258 -2.514 392 HG LEU 53 HG LEU 53 -9.593 -4.226 -4.985 393 HD11 LEU 53 1HD1 LEU 53 -9.308 -2.982 -2.265 394 HD12 LEU 53 2HD1 LEU 53 -10.393 -2.340 -3.497 395 HD13 LEU 53 3HD1 LEU 53 -8.658 -2.416 -3.803 396 HD21 LEU 53 1HD2 LEU 53 -7.889 -5.454 -4.271 397 HD22 LEU 53 2HD2 LEU 53 -8.954 -6.128 -3.036 398 HD23 LEU 53 3HD2 LEU 53 -7.960 -4.716 -2.670 399 H ASP 54 H ASP 54 -13.015 -4.219 -5.363 400 HA ASP 54 HA ASP 54 -12.189 -4.723 -8.141 401 HB2 ASP 54 1HB ASP 54 -14.722 -3.759 -6.889 402 HB3 ASP 54 2HB ASP 54 -14.323 -3.192 -8.509 403 H PHE 55 H PHE 55 -12.567 -2.229 -5.694 404 HA PHE 55 HA PHE 55 -11.651 -0.155 -5.489 405 HB2 PHE 55 1HB PHE 55 -9.570 -1.309 -6.248 406 HB3 PHE 55 2HB PHE 55 -9.986 -0.887 -7.905 407 HD1 PHE 55 1HD PHE 55 -9.092 0.509 -4.605 408 HD2 PHE 55 2HD PHE 55 -9.508 1.246 -8.777 409 HE1 PHE 55 1HE PHE 55 -7.948 2.671 -4.334 410 HE2 PHE 55 2HE PHE 55 -8.363 3.407 -8.512 411 HZ PHE 55 HZ PHE 55 -7.582 4.122 -6.289 412 H GLU 56 H GLU 56 -14.048 -0.495 -6.946 413 HA GLU 56 HA GLU 56 -13.863 1.800 -8.781 414 HB2 GLU 56 1HB GLU 56 -15.327 0.812 -10.334 415 HB3 GLU 56 2HB GLU 56 -14.195 -0.467 -9.913 416 HG2 GLU 56 1HG GLU 56 -15.783 -1.564 -8.561 417 HG3 GLU 56 2HG GLU 56 -16.868 -0.175 -8.579 418 H SER 57 H SER 57 -15.721 0.006 -6.419 419 HA SER 57 HA SER 57 -17.894 1.924 -6.433 420 HB2 SER 57 1HB SER 57 -18.175 -0.574 -6.022 421 HB3 SER 57 2HB SER 57 -17.457 -0.298 -4.434 422 HG SER 57 HG SER 57 -19.160 1.232 -4.065 423 H LEU 58 H LEU 58 -15.136 1.071 -4.416 424 HA LEU 58 HA LEU 58 -15.550 2.351 -2.081 425 HB2 LEU 58 1HB LEU 58 -13.020 2.669 -3.684 426 HB3 LEU 58 2HB LEU 58 -13.184 2.777 -1.933 427 HG LEU 58 HG LEU 58 -13.607 0.272 -3.562 428 HD11 LEU 58 1HD1 LEU 58 -11.416 0.125 -1.751 429 HD12 LEU 58 2HD1 LEU 58 -11.207 1.541 -2.781 430 HD13 LEU 58 3HD1 LEU 58 -11.417 -0.053 -3.506 431 HD21 LEU 58 1HD2 LEU 58 -14.252 -0.770 -1.683 432 HD22 LEU 58 2HD2 LEU 58 -14.643 0.853 -1.116 433 HD23 LEU 58 3HD2 LEU 58 -13.102 0.112 -0.678 434 H LYS 59 H LYS 59 -16.338 4.275 -1.580 435 HA LYS 59 HA LYS 59 -16.117 6.484 -3.464 436 HB2 LYS 59 1HB LYS 59 -17.666 6.135 -0.894 437 HB3 LYS 59 2HB LYS 59 -17.642 7.636 -1.813 438 HG2 LYS 59 1HG LYS 59 -19.566 6.663 -2.586 439 HG3 LYS 59 2HG LYS 59 -18.398 6.106 -3.787 440 HD2 LYS 59 1HD LYS 59 -19.586 4.176 -3.243 441 HD3 LYS 59 2HD LYS 59 -18.127 4.051 -2.258 442 HE2 LYS 59 1HE LYS 59 -19.529 5.222 -0.438 443 HE3 LYS 59 2HE LYS 59 -20.918 4.761 -1.421 444 HZ1 LYS 59 1HZ LYS 59 -20.039 3.202 0.456 445 HZ2 LYS 59 2HZ LYS 59 -18.939 2.709 -0.731 446 HZ3 LYS 59 3HZ LYS 59 -20.601 2.553 -1.001 447 H LYS 60 H LYS 60 -14.413 7.777 -3.356 448 HA LYS 60 HA LYS 60 -12.391 7.896 -1.599 449 HB2 LYS 60 1HB LYS 60 -12.966 9.353 -3.736 450 HB3 LYS 60 2HB LYS 60 -13.429 10.540 -2.523 451 HG2 LYS 60 1HG LYS 60 -11.283 10.834 -1.790 452 HG3 LYS 60 2HG LYS 60 -10.777 9.214 -2.274 453 HD2 LYS 60 1HD LYS 60 -9.733 10.441 -3.895 454 HD3 LYS 60 2HD LYS 60 -11.287 10.169 -4.689 455 HE2 LYS 60 1HE LYS 60 -10.985 12.563 -2.949 456 HE3 LYS 60 2HE LYS 60 -10.207 12.578 -4.531 457 HZ1 LYS 60 1HZ LYS 60 -12.996 11.722 -4.417 458 HZ2 LYS 60 2HZ LYS 60 -12.185 12.611 -5.606 459 HZ3 LYS 60 3HZ LYS 60 -12.687 13.368 -4.179 460 H CYS 61 H CYS 61 -15.465 9.618 -1.226 461 HA CYS 61 HA CYS 61 -14.999 11.178 0.957 462 HB2 CYS 61 1HB CYS 61 -17.428 9.536 0.252 463 HB3 CYS 61 2HB CYS 61 -17.411 10.648 1.615 464 HG CYS 61 HG CYS 61 -16.301 12.348 -0.897 465 H ASN 62 H ASN 62 -16.238 7.838 1.187 466 HA ASN 62 HA ASN 62 -15.580 7.714 3.991 467 HB2 ASN 62 1HB ASN 62 -17.536 6.545 2.646 468 HB3 ASN 62 2HB ASN 62 -16.329 5.282 2.424 469 HD21 ASN 62 1HD2 ASN 62 -15.675 4.065 4.160 470 HD22 ASN 62 2HD2 ASN 62 -16.481 4.100 5.688 471 H ALA 63 H ALA 63 -13.555 7.413 4.633 472 HA ALA 63 HA ALA 63 -11.754 5.790 2.975 473 HB1 ALA 63 1HB ALA 63 -11.230 7.876 5.076 474 HB2 ALA 63 2HB ALA 63 -9.965 6.821 4.442 475 HB3 ALA 63 3HB ALA 63 -10.820 7.922 3.360 476 H HIS 64 H HIS 64 -13.243 5.992 6.121 477 HA HIS 64 HA HIS 64 -11.712 4.302 7.649 478 HB2 HIS 64 1HB HIS 64 -13.584 5.403 8.646 479 HB3 HIS 64 2HB HIS 64 -14.712 4.623 7.542 480 HD1 HIS 64 1HD HIS 64 -12.349 3.683 10.363 481 HD2 HIS 64 2HD HIS 64 -15.821 2.344 8.517 482 HE1 HIS 64 1HE HIS 64 -13.134 1.734 11.742 483 HE2 HIS 64 2HE HIS 64 -15.189 0.886 10.558 484 H TYR 65 H TYR 65 -14.390 3.353 5.500 485 HA TYR 65 HA TYR 65 -14.027 0.568 5.887 486 HB2 TYR 65 1HB TYR 65 -16.162 1.292 5.133 487 HB3 TYR 65 2HB TYR 65 -15.466 2.173 3.778 488 HD1 TYR 65 1HD TYR 65 -15.390 -1.334 5.092 489 HD2 TYR 65 2HD TYR 65 -15.816 1.219 1.715 490 HE1 TYR 65 1HE TYR 65 -15.721 -3.302 3.654 491 HE2 TYR 65 2HE TYR 65 -16.149 -0.741 0.268 492 HH TYR 65 HH TYR 65 -15.285 -3.592 0.807 493 H ASN 66 H ASN 66 -13.190 2.700 3.156 494 HA ASN 66 HA ASN 66 -11.936 0.840 1.540 495 HB2 ASN 66 1HB ASN 66 -11.291 3.769 1.930 496 HB3 ASN 66 2HB ASN 66 -10.649 2.782 0.621 497 HD21 ASN 66 1HD2 ASN 66 -12.063 5.031 0.061 498 HD22 ASN 66 2HD2 ASN 66 -13.593 4.614 -0.623 499 H LEU 67 H LEU 67 -10.765 2.419 4.422 500 HA LEU 67 HA LEU 67 -8.021 1.689 4.053 501 HB2 LEU 67 1HB LEU 67 -9.596 2.695 6.407 502 HB3 LEU 67 2HB LEU 67 -7.887 2.281 6.522 503 HG LEU 67 HG LEU 67 -8.906 4.321 4.562 504 HD11 LEU 67 1HD1 LEU 67 -9.596 5.369 6.478 505 HD12 LEU 67 2HD1 LEU 67 -7.918 5.906 6.401 506 HD13 LEU 67 3HD1 LEU 67 -8.373 4.587 7.479 507 HD21 LEU 67 1HD2 LEU 67 -6.682 3.440 4.145 508 HD22 LEU 67 2HD2 LEU 67 -6.207 3.801 5.805 509 HD23 LEU 67 3HD2 LEU 67 -6.587 5.115 4.691 510 H GLN 68 H GLN 68 -10.334 0.670 6.572 511 HA GLN 68 HA GLN 68 -8.935 -1.490 7.537 512 HB2 GLN 68 1HB GLN 68 -10.938 -2.229 8.538 513 HB3 GLN 68 2HB GLN 68 -11.101 -0.483 8.418 514 HG2 GLN 68 1HG GLN 68 -12.256 -1.142 6.119 515 HG3 GLN 68 2HG GLN 68 -12.568 -2.630 7.009 516 HE21 GLN 68 1HE2 GLN 68 -14.713 -2.431 7.328 517 HE22 GLN 68 2HE2 GLN 68 -15.451 -1.157 8.233 518 H ASN 69 H ASN 69 -10.954 -1.294 4.674 519 HA ASN 69 HA ASN 69 -11.290 -3.984 4.095 520 HB2 ASN 69 1HB ASN 69 -12.177 -1.853 2.881 521 HB3 ASN 69 2HB ASN 69 -10.714 -2.007 1.910 522 HD21 ASN 69 1HD2 ASN 69 -11.302 -2.792 0.019 523 HD22 ASN 69 2HD2 ASN 69 -12.319 -4.165 -0.235 524 H ALA 70 H ALA 70 -8.745 -1.852 2.784 525 HA ALA 70 HA ALA 70 -7.248 -3.959 1.638 526 HB1 ALA 70 1HB ALA 70 -5.784 -1.522 2.406 527 HB2 ALA 70 2HB ALA 70 -5.897 -2.337 0.846 528 HB3 ALA 70 3HB ALA 70 -7.199 -1.277 1.384 529 H PHE 71 H PHE 71 -6.951 -2.207 4.705 530 HA PHE 71 HA PHE 71 -4.567 -3.289 5.616 531 HB2 PHE 71 1HB PHE 71 -7.017 -2.283 7.034 532 HB3 PHE 71 2HB PHE 71 -5.663 -2.945 7.943 533 HD1 PHE 71 2HD PHE 71 -3.302 -1.970 6.837 534 HD2 PHE 71 1HD PHE 71 -7.068 -0.001 7.060 535 HE1 PHE 71 2HE PHE 71 -2.164 0.209 6.730 536 HE2 PHE 71 1HE PHE 71 -5.938 2.182 6.952 537 HZ PHE 71 HZ PHE 71 -3.483 2.289 6.788 538 H ASN 72 H ASN 72 -7.872 -4.485 6.190 539 HA ASN 72 HA ASN 72 -6.966 -6.853 7.515 540 HB2 ASN 72 1HB ASN 72 -9.210 -7.369 7.829 541 HB3 ASN 72 2HB ASN 72 -9.256 -5.612 7.712 542 HD21 ASN 72 1HD2 ASN 72 -10.663 -4.774 6.355 543 HD22 ASN 72 2HD2 ASN 72 -11.421 -5.598 5.041 544 H LEU 73 H LEU 73 -8.468 -6.240 4.343 545 HA LEU 73 HA LEU 73 -8.650 -8.677 3.240 546 HB2 LEU 73 1HB LEU 73 -7.725 -6.080 2.109 547 HB3 LEU 73 2HB LEU 73 -7.651 -7.523 1.101 548 HG LEU 73 HG LEU 73 -10.178 -6.551 2.423 549 HD11 LEU 73 1HD1 LEU 73 -9.462 -4.820 0.924 550 HD12 LEU 73 2HD1 LEU 73 -10.782 -5.712 0.168 551 HD13 LEU 73 3HD1 LEU 73 -9.120 -5.998 -0.343 552 HD21 LEU 73 1HD2 LEU 73 -11.295 -8.104 1.076 553 HD22 LEU 73 2HD2 LEU 73 -9.885 -8.979 1.672 554 HD23 LEU 73 3HD2 LEU 73 -9.896 -8.339 0.029 555 H ALA 74 H ALA 74 -5.615 -6.820 3.370 556 HA ALA 74 HA ALA 74 -4.037 -8.920 2.263 557 HB1 ALA 74 1HB ALA 74 -2.205 -7.381 3.494 558 HB2 ALA 74 2HB ALA 74 -2.915 -6.993 1.926 559 HB3 ALA 74 3HB ALA 74 -3.547 -6.240 3.391 560 H GLU 75 H GLU 75 -4.406 -7.647 5.571 561 HA GLU 75 HA GLU 75 -2.662 -9.306 6.904 562 HB2 GLU 75 1HB GLU 75 -3.765 -7.493 8.045 563 HB3 GLU 75 2HB GLU 75 -5.338 -8.239 7.807 564 HG2 GLU 75 1HG GLU 75 -3.200 -9.646 9.350 565 HG3 GLU 75 2HG GLU 75 -4.206 -8.414 10.110 566 H LYS 76 H LYS 76 -5.536 -10.159 5.284 567 HA LYS 76 HA LYS 76 -5.674 -12.744 6.677 568 HB2 LYS 76 1HB LYS 76 -7.759 -11.360 6.498 569 HB3 LYS 76 2HB LYS 76 -7.679 -11.557 4.752 570 HG2 LYS 76 1HG LYS 76 -7.690 -14.074 5.228 571 HG3 LYS 76 2HG LYS 76 -8.223 -13.624 6.850 572 HD2 LYS 76 1HD LYS 76 -9.620 -12.559 4.420 573 HD3 LYS 76 2HD LYS 76 -10.004 -14.160 5.056 574 HE2 LYS 76 1HE LYS 76 -10.175 -12.826 7.328 575 HE3 LYS 76 2HE LYS 76 -10.479 -11.471 6.242 576 HZ1 LYS 76 1HZ LYS 76 -12.445 -12.348 5.545 577 HZ2 LYS 76 2HZ LYS 76 -12.422 -12.968 7.118 578 HZ3 LYS 76 3HZ LYS 76 -11.977 -13.951 5.816 579 H GLU 77 H GLU 77 -5.988 -11.457 3.360 580 HA GLU 77 HA GLU 77 -5.564 -13.942 2.093 581 HB2 GLU 77 1HB GLU 77 -5.432 -11.088 1.172 582 HB3 GLU 77 2HB GLU 77 -4.965 -12.396 0.095 583 HG2 GLU 77 1HG GLU 77 -7.619 -12.383 1.484 584 HG3 GLU 77 2HG GLU 77 -7.361 -11.525 -0.034 585 H LEU 78 H LEU 78 -3.375 -11.134 1.945 586 HA LEU 78 HA LEU 78 -1.131 -12.559 1.117 587 HB2 LEU 78 1HB LEU 78 -1.064 -10.071 2.809 588 HB3 LEU 78 2HB LEU 78 0.150 -10.623 1.655 589 HG LEU 78 HG LEU 78 -2.624 -9.697 0.913 590 HD11 LEU 78 1HD1 LEU 78 -1.061 -7.957 1.913 591 HD12 LEU 78 2HD1 LEU 78 -1.719 -7.618 0.312 592 HD13 LEU 78 3HD1 LEU 78 -0.061 -8.194 0.480 593 HD21 LEU 78 1HD2 LEU 78 -0.340 -10.843 -0.567 594 HD22 LEU 78 2HD2 LEU 78 -1.140 -9.458 -1.311 595 HD23 LEU 78 3HD2 LEU 78 -2.068 -10.906 -0.915 596 H GLY 79 H GLY 79 -1.968 -11.457 4.405 597 HA2 GLY 79 1HA GLY 79 -1.690 -12.967 6.278 598 HA3 GLY 79 2HA GLY 79 -0.310 -13.665 5.442 599 H LEU 80 H LEU 80 -0.903 -10.217 5.688 600 HA LEU 80 HA LEU 80 1.661 -9.908 7.030 601 HB2 LEU 80 1HB LEU 80 -0.258 -7.913 5.839 602 HB3 LEU 80 2HB LEU 80 1.256 -7.475 6.629 603 HG LEU 80 HG LEU 80 1.208 -9.317 4.259 604 HD11 LEU 80 1HD1 LEU 80 1.726 -7.282 2.897 605 HD12 LEU 80 2HD1 LEU 80 1.201 -6.306 4.269 606 HD13 LEU 80 3HD1 LEU 80 0.061 -7.387 3.468 607 HD21 LEU 80 1HD2 LEU 80 3.200 -8.355 5.996 608 HD22 LEU 80 2HD2 LEU 80 3.430 -7.524 4.457 609 HD23 LEU 80 3HD2 LEU 80 3.410 -9.287 4.514 610 H THR 81 H THR 81 1.801 -8.212 8.773 611 HA THR 81 HA THR 81 -0.350 -8.686 10.713 612 HB THR 81 HB THR 81 2.502 -7.771 11.122 613 HG1 THR 81 1HG THR 81 1.102 -10.199 11.523 614 HG21 THR 81 1HG2 THR 81 1.467 -8.488 13.583 615 HG22 THR 81 2HG2 THR 81 0.161 -7.565 12.839 616 HG23 THR 81 3HG2 THR 81 1.759 -6.843 13.020 617 H LYS 82 H LYS 82 -1.849 -7.133 10.640 618 HA LYS 82 HA LYS 82 -1.695 -4.596 9.646 619 HB2 LYS 82 1HB LYS 82 -3.384 -5.868 11.745 620 HB3 LYS 82 2HB LYS 82 -3.460 -4.118 11.581 621 HG2 LYS 82 1HG LYS 82 -3.932 -4.494 9.130 622 HG3 LYS 82 2HG LYS 82 -4.141 -6.201 9.527 623 HD2 LYS 82 1HD LYS 82 -5.629 -4.154 11.104 624 HD3 LYS 82 2HD LYS 82 -6.197 -4.566 9.485 625 HE2 LYS 82 1HE LYS 82 -7.366 -6.085 10.745 626 HE3 LYS 82 2HE LYS 82 -5.926 -7.024 10.358 627 HZ1 LYS 82 1HZ LYS 82 -6.267 -5.472 12.864 628 HZ2 LYS 82 2HZ LYS 82 -5.019 -6.552 12.496 629 HZ3 LYS 82 3HZ LYS 82 -6.593 -7.127 12.725 630 H LEU 83 H LEU 83 -0.052 -3.240 10.065 631 HA LEU 83 HA LEU 83 0.937 -2.904 12.775 632 HB2 LEU 83 1HB LEU 83 1.794 -1.413 10.307 633 HB3 LEU 83 2HB LEU 83 2.679 -1.592 11.822 634 HG LEU 83 HG LEU 83 2.096 -3.849 9.907 635 HD11 LEU 83 1HD1 LEU 83 4.848 -2.872 10.270 636 HD12 LEU 83 2HD1 LEU 83 3.772 -1.809 9.364 637 HD13 LEU 83 3HD1 LEU 83 4.032 -3.468 8.825 638 HD21 LEU 83 1HD2 LEU 83 4.318 -4.318 11.594 639 HD22 LEU 83 2HD2 LEU 83 2.776 -5.174 11.548 640 HD23 LEU 83 3HD2 LEU 83 2.981 -3.781 12.611 641 H LEU 84 H LEU 84 -0.835 -1.078 10.339 642 HA LEU 84 HA LEU 84 -1.212 1.095 12.285 643 HB2 LEU 84 1HB LEU 84 -1.714 1.136 9.314 644 HB3 LEU 84 2HB LEU 84 -1.796 2.510 10.416 645 HG LEU 84 HG LEU 84 0.735 0.979 9.837 646 HD11 LEU 84 1HD1 LEU 84 0.264 3.698 8.749 647 HD12 LEU 84 2HD1 LEU 84 -0.501 2.338 7.927 648 HD13 LEU 84 3HD1 LEU 84 1.251 2.377 8.121 649 HD21 LEU 84 1HD2 LEU 84 1.524 2.147 11.551 650 HD22 LEU 84 2HD2 LEU 84 -0.003 3.013 11.729 651 HD23 LEU 84 3HD2 LEU 84 1.233 3.619 10.625 652 H ASP 85 H ASP 85 -3.450 2.291 11.516 653 HA ASP 85 HA ASP 85 -5.545 0.243 11.352 654 HB2 ASP 85 1HB ASP 85 -5.315 2.391 13.463 655 HB3 ASP 85 2HB ASP 85 -6.816 1.533 13.125 656 HA PRO 86 HA PRO 86 -7.488 2.981 8.526 657 HB2 PRO 86 1HB PRO 86 -10.104 2.386 8.942 658 HB3 PRO 86 2HB PRO 86 -8.990 1.293 8.113 659 HG2 PRO 86 1HG PRO 86 -9.922 1.250 10.958 660 HG3 PRO 86 2HG PRO 86 -9.729 -0.100 9.824 661 HD2 PRO 86 1HD PRO 86 -7.900 0.468 11.737 662 HD3 PRO 86 2HD PRO 86 -7.453 -0.225 10.165 663 H GLU 87 H GLU 87 -7.658 3.421 11.820 664 HA GLU 87 HA GLU 87 -9.333 5.829 11.568 665 HB2 GLU 87 1HB GLU 87 -8.604 4.232 14.028 666 HB3 GLU 87 2HB GLU 87 -9.555 5.710 14.035 667 HG2 GLU 87 1HG GLU 87 -11.214 4.562 12.571 668 HG3 GLU 87 2HG GLU 87 -10.296 3.073 12.795 669 H ASP 88 H ASP 88 -6.336 4.596 13.013 670 HA ASP 88 HA ASP 88 -5.401 7.078 13.970 671 HB2 ASP 88 1HB ASP 88 -4.205 4.400 13.464 672 HB3 ASP 88 2HB ASP 88 -3.099 5.760 13.633 673 H VAL 89 H VAL 89 -4.772 5.323 10.949 674 HA VAL 89 HA VAL 89 -2.964 7.218 9.879 675 HB VAL 89 HB VAL 89 -4.690 5.161 8.498 676 HG11 VAL 89 1HG1 VAL 89 -2.880 7.227 7.433 677 HG12 VAL 89 2HG1 VAL 89 -2.659 5.603 6.779 678 HG13 VAL 89 3HG1 VAL 89 -4.232 6.394 6.665 679 HG21 VAL 89 1HG2 VAL 89 -3.088 4.142 9.959 680 HG22 VAL 89 2HG2 VAL 89 -2.517 3.951 8.301 681 HG23 VAL 89 3HG2 VAL 89 -1.797 5.175 9.348 682 H ASN 90 H ASN 90 -6.452 6.726 9.434 683 HA ASN 90 HA ASN 90 -6.847 8.767 7.544 684 HB2 ASN 90 1HB ASN 90 -8.530 7.054 7.921 685 HB3 ASN 90 2HB ASN 90 -8.761 7.604 9.579 686 HD21 ASN 90 1HD2 ASN 90 -10.896 8.104 9.378 687 HD22 ASN 90 2HD2 ASN 90 -11.482 9.401 8.400 688 H VAL 91 H VAL 91 -5.706 10.604 8.195 689 HA VAL 91 HA VAL 91 -7.155 12.304 10.045 690 HB VAL 91 HB VAL 91 -5.429 11.075 11.422 691 HG11 VAL 91 1HG1 VAL 91 -3.758 11.700 9.307 692 HG12 VAL 91 2HG1 VAL 91 -3.250 12.800 10.590 693 HG13 VAL 91 3HG1 VAL 91 -3.269 11.058 10.874 694 HG21 VAL 91 1HG2 VAL 91 -4.872 12.990 12.710 695 HG22 VAL 91 2HG2 VAL 91 -4.977 14.051 11.304 696 HG23 VAL 91 3HG2 VAL 91 -6.438 13.320 11.969 697 H ASP 92 H ASP 92 -6.312 14.555 10.011 698 HA ASP 92 HA ASP 92 -6.122 15.566 7.451 699 HB2 ASP 92 1HB ASP 92 -5.015 16.848 9.958 700 HB3 ASP 92 2HB ASP 92 -5.458 17.681 8.470 701 H GLN 93 H GLN 93 -3.453 15.170 9.782 702 HA GLN 93 HA GLN 93 -1.620 14.882 7.507 703 HB2 GLN 93 1HB GLN 93 0.045 16.142 9.119 704 HB3 GLN 93 2HB GLN 93 -1.023 17.031 8.041 705 HG2 GLN 93 1HG GLN 93 -2.639 17.198 9.959 706 HG3 GLN 93 2HG GLN 93 -1.360 16.556 10.987 707 HE21 GLN 93 1HE2 GLN 93 0.322 17.850 11.576 708 HE22 GLN 93 2HE2 GLN 93 0.398 19.539 11.222 709 HA PRO 94 HA PRO 94 -1.082 11.389 10.452 710 HB2 PRO 94 1HB PRO 94 -0.633 9.546 8.510 711 HB3 PRO 94 2HB PRO 94 -2.255 10.009 9.038 712 HG2 PRO 94 1HG PRO 94 -0.708 10.928 6.646 713 HG3 PRO 94 2HG PRO 94 -2.418 10.479 6.767 714 HD2 PRO 94 1HD PRO 94 -1.587 13.056 6.741 715 HD3 PRO 94 2HD PRO 94 -3.024 12.525 7.639 716 H ASP 95 H ASP 95 0.784 9.944 10.739 717 HA ASP 95 HA ASP 95 3.243 11.342 10.170 718 HB2 ASP 95 1HB ASP 95 2.491 9.996 12.331 719 HB3 ASP 95 2HB ASP 95 3.225 8.652 11.460 720 H GLU 96 H GLU 96 4.023 11.130 8.162 721 HA GLU 96 HA GLU 96 3.605 9.020 6.407 722 HB2 GLU 96 1HB GLU 96 5.767 9.882 5.309 723 HB3 GLU 96 2HB GLU 96 4.410 10.990 5.439 724 HG2 GLU 96 1HG GLU 96 5.411 12.208 7.157 725 HG3 GLU 96 2HG GLU 96 6.567 10.925 7.513 726 H LYS 97 H LYS 97 5.923 9.374 8.981 727 HA LYS 97 HA LYS 97 7.688 7.299 8.182 728 HB2 LYS 97 1HB LYS 97 7.168 8.352 10.968 729 HB3 LYS 97 2HB LYS 97 8.576 7.436 10.447 730 HG2 LYS 97 1HG LYS 97 7.903 10.031 9.128 731 HG3 LYS 97 2HG LYS 97 8.736 10.006 10.685 732 HD2 LYS 97 1HD LYS 97 10.557 9.969 9.319 733 HD3 LYS 97 2HD LYS 97 10.248 8.232 9.396 734 HE2 LYS 97 1HE LYS 97 10.403 8.471 7.138 735 HE3 LYS 97 2HE LYS 97 8.682 8.802 7.334 736 HZ1 LYS 97 1HZ LYS 97 10.832 10.842 7.137 737 HZ2 LYS 97 2HZ LYS 97 9.187 11.172 7.349 738 HZ3 LYS 97 3HZ LYS 97 9.726 10.448 5.919 739 H SER 98 H SER 98 4.709 7.385 10.013 740 HA SER 98 HA SER 98 4.952 4.670 10.949 741 HB2 SER 98 1HB SER 98 2.610 6.589 10.976 742 HB3 SER 98 2HB SER 98 2.624 5.009 11.761 743 HG SER 98 HG SER 98 4.767 6.158 12.626 744 H ILE 99 H ILE 99 4.020 6.146 8.059 745 HA ILE 99 HA ILE 99 2.284 3.925 7.269 746 HB ILE 99 HB ILE 99 2.895 6.536 5.883 747 HG12 ILE 99 1HG1 ILE 99 0.256 5.571 6.977 748 HG13 ILE 99 2HG1 ILE 99 1.395 6.492 7.953 749 HG21 ILE 99 1HG2 ILE 99 1.357 5.921 4.175 750 HG22 ILE 99 2HG2 ILE 99 2.511 4.598 4.338 751 HG23 ILE 99 3HG2 ILE 99 0.897 4.452 5.034 752 HD11 ILE 99 1HD1 ILE 99 0.002 8.138 7.182 753 HD12 ILE 99 2HD1 ILE 99 1.284 8.178 5.971 754 HD13 ILE 99 3HD1 ILE 99 -0.235 7.355 5.619 755 H ILE 100 H ILE 100 5.227 5.614 6.230 756 HA ILE 100 HA ILE 100 5.838 4.131 3.976 757 HB ILE 100 HB ILE 100 7.738 5.321 5.998 758 HG12 ILE 100 1HG1 ILE 100 7.201 6.482 3.300 759 HG13 ILE 100 2HG1 ILE 100 5.986 6.698 4.555 760 HG21 ILE 100 1HG2 ILE 100 9.484 5.102 4.410 761 HG22 ILE 100 2HG2 ILE 100 8.712 3.521 4.526 762 HG23 ILE 100 3HG2 ILE 100 8.367 4.572 3.152 763 HD11 ILE 100 1HD1 ILE 100 7.579 7.811 5.968 764 HD12 ILE 100 2HD1 ILE 100 8.876 7.486 4.819 765 HD13 ILE 100 3HD1 ILE 100 7.564 8.579 4.381 766 H THR 101 H THR 101 6.200 3.302 7.347 767 HA THR 101 HA THR 101 7.912 1.051 6.922 768 HB THR 101 HB THR 101 6.128 1.515 9.312 769 HG1 THR 101 1HG THR 101 8.389 2.866 8.445 770 HG21 THR 101 1HG2 THR 101 8.853 0.332 9.455 771 HG22 THR 101 2HG2 THR 101 7.553 -0.665 8.805 772 HG23 THR 101 3HG2 THR 101 7.424 -0.001 10.433 773 H TYR 102 H TYR 102 4.436 1.531 7.204 774 HA TYR 102 HA TYR 102 3.775 -1.239 7.301 775 HB2 TYR 102 1HB TYR 102 2.154 0.250 8.174 776 HB3 TYR 102 2HB TYR 102 2.180 1.252 6.727 777 HD1 TYR 102 1HD TYR 102 0.932 -1.862 8.208 778 HD2 TYR 102 2HD TYR 102 0.932 0.618 4.751 779 HE1 TYR 102 1HE TYR 102 -0.980 -3.123 7.312 780 HE2 TYR 102 2HE TYR 102 -0.980 -0.635 3.845 781 HH TYR 102 HH TYR 102 -2.186 -3.534 5.412 782 H VAL 103 H VAL 103 3.567 1.199 4.711 783 HA VAL 103 HA VAL 103 2.698 -0.514 2.682 784 HB VAL 103 HB VAL 103 2.638 1.912 2.438 785 HG11 VAL 103 1HG1 VAL 103 5.640 1.676 2.408 786 HG12 VAL 103 2HG1 VAL 103 4.768 3.107 1.853 787 HG13 VAL 103 3HG1 VAL 103 4.638 2.591 3.535 788 HG21 VAL 103 1HG2 VAL 103 2.566 0.614 0.412 789 HG22 VAL 103 2HG2 VAL 103 3.529 2.064 0.126 790 HG23 VAL 103 3HG2 VAL 103 4.327 0.511 0.368 791 H ALA 104 H ALA 104 5.855 -0.009 4.045 792 HA ALA 104 HA ALA 104 7.473 -0.970 1.982 793 HB1 ALA 104 1HB ALA 104 8.152 0.128 4.190 794 HB2 ALA 104 2HB ALA 104 8.055 -1.493 4.880 795 HB3 ALA 104 3HB ALA 104 9.184 -1.159 3.566 796 H THR 105 H THR 105 5.550 -2.666 4.376 797 HA THR 105 HA THR 105 6.661 -5.237 4.008 798 HB THR 105 HB THR 105 4.830 -6.093 5.231 799 HG1 THR 105 1HG THR 105 3.434 -3.723 4.477 800 HG21 THR 105 1HG2 THR 105 4.555 -3.512 6.532 801 HG22 THR 105 2HG2 THR 105 6.234 -3.879 6.136 802 HG23 THR 105 3HG2 THR 105 5.295 -4.998 7.124 803 H TYR 106 H TYR 106 4.186 -3.440 2.304 804 HA TYR 106 HA TYR 106 3.053 -5.587 0.868 805 HB2 TYR 106 1HB TYR 106 3.113 -2.617 0.535 806 HB3 TYR 106 2HB TYR 106 2.537 -3.606 -0.801 807 HD1 TYR 106 1HD TYR 106 2.071 -4.244 2.827 808 HD2 TYR 106 2HD TYR 106 0.246 -3.082 -0.838 809 HE1 TYR 106 1HE TYR 106 -0.143 -4.384 3.891 810 HE2 TYR 106 2HE TYR 106 -1.971 -3.217 0.217 811 HH TYR 106 HH TYR 106 -3.109 -3.707 2.055 812 H TYR 107 H TYR 107 5.872 -3.579 0.320 813 HA TYR 107 HA TYR 107 6.309 -4.563 -2.354 814 HB2 TYR 107 1HB TYR 107 7.089 -2.367 -2.005 815 HB3 TYR 107 2HB TYR 107 7.875 -2.793 -0.489 816 HD1 TYR 107 2HD TYR 107 8.050 -3.440 -4.154 817 HD2 TYR 107 1HD TYR 107 10.154 -3.271 -0.460 818 HE1 TYR 107 2HE TYR 107 10.172 -3.767 -5.354 819 HE2 TYR 107 1HE TYR 107 12.282 -3.597 -1.649 820 HH TYR 107 HH TYR 107 13.254 -3.999 -3.607 821 H HIS 108 H HIS 108 8.150 -4.816 0.694 822 HA HIS 108 HA HIS 108 10.016 -6.686 -0.133 823 HB2 HIS 108 1HB HIS 108 8.821 -6.044 2.544 824 HB3 HIS 108 2HB HIS 108 9.962 -7.375 2.381 825 HD1 HIS 108 1HD HIS 108 12.405 -6.719 1.579 826 HD2 HIS 108 2HD HIS 108 9.942 -3.536 2.607 827 HE1 HIS 108 1HE HIS 108 13.940 -4.749 1.871 828 HE2 HIS 108 2HE HIS 108 12.438 -2.854 2.576 829 H TYR 109 H TYR 109 6.697 -7.143 0.877 830 HA TYR 109 HA TYR 109 6.808 -9.952 1.228 831 HB2 TYR 109 1HB TYR 109 4.953 -8.932 2.220 832 HB3 TYR 109 2HB TYR 109 4.587 -7.979 0.786 833 HD1 TYR 109 2HD TYR 109 4.431 -11.374 2.240 834 HD2 TYR 109 1HD TYR 109 3.146 -8.815 -0.906 835 HE1 TYR 109 2HE TYR 109 2.778 -13.061 1.551 836 HE2 TYR 109 1HE TYR 109 1.488 -10.494 -1.603 837 HH TYR 109 HH TYR 109 1.430 -13.286 -1.230 838 H PHE 110 H PHE 110 5.165 -8.159 -1.382 839 HA PHE 110 HA PHE 110 4.803 -10.278 -3.110 840 HB2 PHE 110 1HB PHE 110 4.982 -7.327 -3.442 841 HB3 PHE 110 2HB PHE 110 5.080 -8.310 -4.899 842 HD1 PHE 110 2HD PHE 110 3.218 -10.145 -5.125 843 HD2 PHE 110 1HD PHE 110 2.916 -6.679 -2.674 844 HE1 PHE 110 2HE PHE 110 0.766 -10.339 -5.159 845 HE2 PHE 110 1HE PHE 110 0.464 -6.867 -2.703 846 HZ PHE 110 HZ PHE 110 -0.615 -8.698 -3.948 847 H SER 111 H SER 111 7.589 -8.110 -2.842 848 HA SER 111 HA SER 111 9.077 -8.842 -5.016 849 HB2 SER 111 1HB SER 111 10.898 -7.894 -3.956 850 HB3 SER 111 2HB SER 111 9.584 -7.220 -2.992 851 HG SER 111 HG SER 111 10.017 -8.650 -1.387 852 H LYS 112 H LYS 112 8.974 -10.497 -1.874 853 HA LYS 112 HA LYS 112 10.835 -12.435 -2.128 854 HB2 LYS 112 1HB LYS 112 8.008 -12.791 -1.118 855 HB3 LYS 112 2HB LYS 112 9.314 -13.937 -0.841 856 HG2 LYS 112 1HG LYS 112 10.524 -11.820 0.139 857 HG3 LYS 112 2HG LYS 112 8.867 -11.244 0.335 858 HD2 LYS 112 1HD LYS 112 9.560 -13.995 1.256 859 HD3 LYS 112 2HD LYS 112 10.060 -12.614 2.238 860 HE2 LYS 112 1HE LYS 112 7.835 -11.912 2.561 861 HE3 LYS 112 2HE LYS 112 7.234 -12.952 1.272 862 HZ1 LYS 112 1HZ LYS 112 6.714 -13.867 3.437 863 HZ2 LYS 112 2HZ LYS 112 8.350 -13.871 3.867 864 HZ3 LYS 112 3HZ LYS 112 7.799 -14.880 2.626 865 H MET 113 H MET 113 7.566 -12.595 -3.521 866 HA MET 113 HA MET 113 7.745 -15.106 -4.695 867 HB2 MET 113 1HB MET 113 6.274 -12.685 -5.754 868 HB3 MET 113 2HB MET 113 5.964 -14.357 -6.206 869 HG2 MET 113 1HG MET 113 5.778 -13.495 -3.351 870 HG3 MET 113 2HG MET 113 4.445 -13.210 -4.468 871 HE1 MET 113 1HE MET 113 4.532 -15.114 -1.680 872 HE2 MET 113 2HE MET 113 3.100 -14.590 -2.563 873 HE3 MET 113 3HE MET 113 3.356 -16.304 -2.237 874 H LYS 114 H LYS 114 8.481 -15.879 -6.634 875 HA LYS 114 HA LYS 114 9.666 -15.992 -8.578 876 HB2 LYS 114 1HB LYS 114 8.218 -13.845 -9.016 877 HB3 LYS 114 2HB LYS 114 9.751 -13.008 -8.808 878 HG2 LYS 114 1HG LYS 114 10.672 -13.942 -10.707 879 HG3 LYS 114 2HG LYS 114 9.555 -15.310 -10.700 880 HD2 LYS 114 1HD LYS 114 8.699 -14.053 -12.425 881 HD3 LYS 114 2HD LYS 114 7.751 -13.444 -11.067 882 HE2 LYS 114 1HE LYS 114 10.329 -12.116 -11.771 883 HE3 LYS 114 2HE LYS 114 8.898 -11.791 -12.747 884 HZ1 LYS 114 1HZ LYS 114 7.773 -11.298 -10.535 885 HZ2 LYS 114 2HZ LYS 114 8.881 -10.155 -11.109 886 HZ3 LYS 114 3HZ LYS 114 9.330 -11.227 -9.879 887 H ALA 115 H ALA 115 10.944 -15.813 -6.012 888 HA ALA 115 HA ALA 115 13.628 -15.353 -6.892 889 HB1 ALA 115 1HB ALA 115 13.037 -13.053 -6.406 890 HB2 ALA 115 2HB ALA 115 12.504 -13.509 -4.787 891 HB3 ALA 115 3HB ALA 115 14.207 -13.643 -5.226 892 H LEU 116 H LEU 116 15.211 -15.760 -5.073 893 HA LEU 116 HA LEU 116 14.205 -17.985 -3.475 894 HB2 LEU 116 1HB LEU 116 16.682 -18.317 -3.015 895 HB3 LEU 116 2HB LEU 116 16.121 -18.590 -4.663 896 HG LEU 116 HG LEU 116 17.277 -15.935 -3.921 897 HD11 LEU 116 1HD1 LEU 116 19.397 -16.637 -3.789 898 HD12 LEU 116 2HD1 LEU 116 19.175 -17.859 -5.040 899 HD13 LEU 116 3HD1 LEU 116 18.693 -18.201 -3.378 900 HD21 LEU 116 1HD2 LEU 116 16.384 -17.263 -6.288 901 HD22 LEU 116 2HD2 LEU 116 18.105 -16.903 -6.438 902 HD23 LEU 116 3HD2 LEU 116 16.959 -15.607 -6.092 903 H ALA 117 H ALA 117 13.361 -17.355 -1.586 904 HA ALA 117 HA ALA 117 15.025 -15.660 0.149 905 HB1 ALA 117 1HB ALA 117 12.563 -14.902 -0.946 906 HB2 ALA 117 2HB ALA 117 12.238 -15.295 0.743 907 HB3 ALA 117 3HB ALA 117 13.464 -14.093 0.338 908 H VAL 118 H VAL 118 14.333 -15.838 2.484 909 HA VAL 118 HA VAL 118 14.544 -18.447 3.385 910 HB VAL 118 HB VAL 118 15.001 -16.429 4.761 911 HG11 VAL 118 1HG1 VAL 118 13.178 -15.303 5.905 912 HG12 VAL 118 2HG1 VAL 118 12.977 -15.169 4.157 913 HG13 VAL 118 3HG1 VAL 118 12.001 -16.319 5.071 914 HG21 VAL 118 1HG2 VAL 118 13.799 -17.389 6.864 915 HG22 VAL 118 2HG2 VAL 118 13.301 -18.674 5.764 916 HG23 VAL 118 3HG2 VAL 118 15.015 -18.359 6.032 917 H GLU 119 H GLU 119 13.164 -20.078 3.728 918 HA GLU 119 HA GLU 119 10.429 -19.793 2.859 919 HB2 GLU 119 1HB GLU 119 10.280 -22.193 3.140 920 HB3 GLU 119 2HB GLU 119 11.774 -21.794 2.305 921 HG2 GLU 119 1HG GLU 119 12.837 -21.886 4.656 922 HG3 GLU 119 2HG GLU 119 11.379 -22.772 5.099 923 H GLY 120 H GLY 120 8.580 -20.416 4.126 924 HA2 GLY 120 1HA GLY 120 8.239 -21.141 6.658 925 HA3 GLY 120 2HA GLY 120 8.829 -19.501 6.884 926 H LYS 121 H LYS 121 6.228 -21.457 5.567 927 HA LYS 121 HA LYS 121 4.519 -19.056 5.545 928 HB2 LYS 121 1HB LYS 121 4.987 -20.323 3.339 929 HB3 LYS 121 2HB LYS 121 3.915 -21.556 3.987 930 HG2 LYS 121 1HG LYS 121 2.421 -20.327 2.792 931 HG3 LYS 121 2HG LYS 121 2.314 -19.495 4.345 932 HD2 LYS 121 1HD LYS 121 3.556 -17.679 3.600 933 HD3 LYS 121 2HD LYS 121 4.285 -18.594 2.279 934 HE2 LYS 121 1HE LYS 121 2.345 -18.480 0.978 935 HE3 LYS 121 2HE LYS 121 1.336 -18.053 2.359 936 HZ1 LYS 121 1HZ LYS 121 2.076 -16.253 0.646 937 HZ2 LYS 121 2HZ LYS 121 3.493 -16.228 1.569 938 HZ3 LYS 121 3HZ LYS 121 2.005 -15.883 2.294 939 H SER 122 H SER 122 2.410 -19.232 6.366 940 HA SER 122 HA SER 122 2.078 -21.431 8.281 941 HB2 SER 122 1HB SER 122 2.057 -18.988 9.034 942 HB3 SER 122 2HB SER 122 0.494 -18.862 8.229 943 HG SER 122 HG SER 122 -0.383 -19.865 9.846 944 H GLY 123 H GLY 123 -0.136 -22.236 8.647 945 HA2 GLY 123 1HA GLY 123 -1.653 -22.298 6.111 946 HA3 GLY 123 2HA GLY 123 -1.495 -23.681 7.184 947 HA PRO 124 HA PRO 124 -4.426 -20.529 9.410 948 HB2 PRO 124 1HB PRO 124 -5.325 -18.460 7.899 949 HB3 PRO 124 2HB PRO 124 -3.858 -18.367 8.881 950 HG2 PRO 124 1HG PRO 124 -4.141 -18.871 5.944 951 HG3 PRO 124 2HG PRO 124 -2.982 -17.831 6.794 952 HD2 PRO 124 1HD PRO 124 -2.335 -20.301 5.892 953 HD3 PRO 124 2HD PRO 124 -1.617 -19.601 7.356 954 H SER 125 H SER 125 -4.666 -22.099 6.510 955 HA SER 125 HA SER 125 -7.064 -21.799 5.367 956 HB2 SER 125 1HB SER 125 -5.403 -23.666 4.949 957 HB3 SER 125 2HB SER 125 -6.155 -24.531 6.289 958 HG SER 125 HG SER 125 -8.173 -23.916 4.901 959 H SER 126 H SER 126 -9.029 -21.432 6.125 960 HA SER 126 HA SER 126 -9.851 -22.760 8.623 961 HB2 SER 126 1HB SER 126 -11.425 -20.866 8.930 962 HB3 SER 126 2HB SER 126 -9.743 -20.339 8.884 963 HG SER 126 HG SER 126 -11.131 -20.396 6.470 964 H GLY 127 H GLY 127 -11.378 -24.254 8.432 965 HA2 GLY 127 1HA GLY 127 -13.760 -24.518 7.634 966 HA3 GLY 127 2HA GLY 127 -13.109 -24.171 6.040 Start of MODEL 7 1 H1 GLY 1 H GLY 1 31.368 14.324 -10.257 2 HA2 GLY 1 1HA GLY 1 28.975 15.751 -10.627 3 HA3 GLY 1 2HA GLY 1 29.387 14.959 -12.141 4 H SER 2 H SER 2 28.585 14.445 -8.759 5 HA SER 2 HA SER 2 28.496 11.591 -8.963 6 HB2 SER 2 1HB SER 2 28.842 13.000 -6.838 7 HB3 SER 2 2HB SER 2 27.093 13.218 -6.850 8 HG SER 2 HG SER 2 28.558 10.810 -6.610 9 H SER 3 H SER 3 26.899 10.340 -9.675 10 HA SER 3 HA SER 3 24.229 11.545 -10.017 11 HB2 SER 3 1HB SER 3 25.588 9.536 -11.831 12 HB3 SER 3 2HB SER 3 23.949 10.154 -12.033 13 HG SER 3 HG SER 3 25.907 12.082 -11.792 14 H GLY 4 H GLY 4 22.632 10.539 -8.988 15 HA2 GLY 4 1HA GLY 4 21.371 8.810 -8.102 16 HA3 GLY 4 2HA GLY 4 22.581 7.675 -8.683 17 H SER 5 H SER 5 21.395 9.436 -5.999 18 HA SER 5 HA SER 5 23.618 8.442 -4.340 19 HB2 SER 5 1HB SER 5 21.872 10.884 -4.038 20 HB3 SER 5 2HB SER 5 22.834 10.245 -2.704 21 HG SER 5 HG SER 5 23.858 11.022 -5.236 22 H SER 6 H SER 6 23.129 7.521 -2.315 23 HA SER 6 HA SER 6 21.129 5.682 -2.189 24 HB2 SER 6 1HB SER 6 21.525 5.522 0.193 25 HB3 SER 6 2HB SER 6 23.061 5.851 -0.609 26 HG SER 6 HG SER 6 22.457 7.139 1.345 27 H GLY 7 H GLY 7 18.988 5.726 -2.017 28 HA2 GLY 7 1HA GLY 7 17.666 7.772 -0.439 29 HA3 GLY 7 2HA GLY 7 17.336 7.834 -2.164 30 H ALA 8 H ALA 8 17.330 5.550 0.566 31 HA ALA 8 HA ALA 8 15.752 3.569 -0.558 32 HB1 ALA 8 1HB ALA 8 14.997 3.659 2.124 33 HB2 ALA 8 2HB ALA 8 16.299 2.703 1.414 34 HB3 ALA 8 3HB ALA 8 16.641 4.297 2.086 35 H LYS 9 H LYS 9 14.574 6.067 1.705 36 HA LYS 9 HA LYS 9 11.902 5.668 1.570 37 HB2 LYS 9 1HB LYS 9 13.282 7.513 2.782 38 HB3 LYS 9 2HB LYS 9 12.942 8.476 1.351 39 HG2 LYS 9 1HG LYS 9 10.489 7.922 1.766 40 HG3 LYS 9 2HG LYS 9 11.011 7.370 3.359 41 HD2 LYS 9 1HD LYS 9 10.431 9.577 3.762 42 HD3 LYS 9 2HD LYS 9 12.173 9.686 3.502 43 HE2 LYS 9 1HE LYS 9 11.151 11.452 2.271 44 HE3 LYS 9 2HE LYS 9 11.692 10.241 1.109 45 HZ1 LYS 9 1HZ LYS 9 8.944 10.873 1.972 46 HZ2 LYS 9 2HZ LYS 9 9.308 9.357 1.314 47 HZ3 LYS 9 3HZ LYS 9 9.566 10.759 0.402 48 H ASP 10 H ASP 10 13.731 7.717 -0.702 49 HA ASP 10 HA ASP 10 11.593 8.395 -2.366 50 HB2 ASP 10 1HB ASP 10 14.456 8.001 -3.252 51 HB3 ASP 10 2HB ASP 10 13.244 9.040 -3.995 52 H ALA 11 H ALA 11 13.936 5.734 -2.672 53 HA ALA 11 HA ALA 11 13.170 4.602 -5.031 54 HB1 ALA 11 1HB ALA 11 14.898 3.422 -4.186 55 HB2 ALA 11 2HB ALA 11 14.319 3.554 -2.525 56 HB3 ALA 11 3HB ALA 11 13.611 2.361 -3.614 57 H LEU 12 H LEU 12 11.586 4.222 -1.888 58 HA LEU 12 HA LEU 12 9.658 2.334 -2.779 59 HB2 LEU 12 1HB LEU 12 10.310 2.649 -0.418 60 HB3 LEU 12 2HB LEU 12 9.520 4.224 -0.434 61 HG LEU 12 HG LEU 12 7.367 3.027 -0.934 62 HD11 LEU 12 1HD1 LEU 12 8.883 0.570 -0.082 63 HD12 LEU 12 2HD1 LEU 12 8.498 0.948 -1.760 64 HD13 LEU 12 3HD1 LEU 12 7.200 0.681 -0.598 65 HD21 LEU 12 1HD2 LEU 12 8.395 3.719 1.391 66 HD22 LEU 12 2HD2 LEU 12 8.418 1.975 1.644 67 HD23 LEU 12 3HD2 LEU 12 6.896 2.795 1.291 68 H LEU 13 H LEU 13 9.301 5.782 -1.922 69 HA LEU 13 HA LEU 13 6.743 6.279 -2.589 70 HB2 LEU 13 1HB LEU 13 8.261 8.000 -1.802 71 HB3 LEU 13 2HB LEU 13 9.120 7.974 -3.341 72 HG LEU 13 HG LEU 13 6.884 8.703 -4.375 73 HD11 LEU 13 1HD1 LEU 13 6.078 8.424 -1.687 74 HD12 LEU 13 2HD1 LEU 13 5.133 9.009 -3.055 75 HD13 LEU 13 3HD1 LEU 13 6.046 10.146 -2.063 76 HD21 LEU 13 1HD2 LEU 13 8.568 10.461 -2.607 77 HD22 LEU 13 2HD2 LEU 13 7.322 11.094 -3.684 78 HD23 LEU 13 3HD2 LEU 13 8.702 10.216 -4.349 79 H LEU 14 H LEU 14 9.408 5.947 -4.894 80 HA LEU 14 HA LEU 14 7.916 6.561 -7.210 81 HB2 LEU 14 1HB LEU 14 10.281 6.656 -7.329 82 HB3 LEU 14 2HB LEU 14 10.441 4.992 -6.770 83 HG LEU 14 HG LEU 14 9.414 4.245 -8.918 84 HD11 LEU 14 1HD1 LEU 14 9.888 7.063 -9.855 85 HD12 LEU 14 2HD1 LEU 14 8.306 6.473 -9.347 86 HD13 LEU 14 3HD1 LEU 14 9.119 5.736 -10.726 87 HD21 LEU 14 1HD2 LEU 14 11.508 5.223 -10.276 88 HD22 LEU 14 2HD2 LEU 14 11.648 3.933 -9.082 89 HD23 LEU 14 3HD2 LEU 14 12.027 5.597 -8.633 90 H TRP 15 H TRP 15 8.745 3.467 -5.680 91 HA TRP 15 HA TRP 15 7.718 1.686 -7.486 92 HB2 TRP 15 1HB TRP 15 8.864 1.124 -5.325 93 HB3 TRP 15 2HB TRP 15 7.349 1.460 -4.494 94 HD1 TRP 15 HD TRP 15 8.695 -0.943 -7.223 95 HE1 TRP 15 1HE TRP 15 7.390 -3.155 -7.043 96 HE3 TRP 15 3HE TRP 15 5.386 0.363 -3.552 97 HZ2 TRP 15 2HZ TRP 15 5.242 -4.207 -5.543 98 HZ3 TRP 15 3HZ TRP 15 3.737 -1.303 -2.802 99 HH2 TRP 15 HH TRP 15 3.669 -3.540 -3.779 100 H CYS 16 H CYS 16 5.864 2.924 -4.696 101 HA CYS 16 HA CYS 16 3.388 1.932 -5.479 102 HB2 CYS 16 1HB CYS 16 3.970 4.447 -3.900 103 HB3 CYS 16 2HB CYS 16 2.420 3.619 -3.962 104 HG CYS 16 HG CYS 16 3.343 1.305 -2.698 105 H GLN 17 H GLN 17 5.013 4.924 -6.363 106 HA GLN 17 HA GLN 17 2.849 6.209 -7.605 107 HB2 GLN 17 1HB GLN 17 5.815 6.446 -7.743 108 HB3 GLN 17 2HB GLN 17 4.870 7.223 -9.006 109 HG2 GLN 17 1HG GLN 17 3.672 8.525 -7.367 110 HG3 GLN 17 2HG GLN 17 4.499 7.687 -6.055 111 HE21 GLN 17 1HE2 GLN 17 4.838 10.122 -5.669 112 HE22 GLN 17 2HE2 GLN 17 6.319 10.770 -6.280 113 H MET 18 H MET 18 5.319 4.022 -8.906 114 HA MET 18 HA MET 18 4.476 4.144 -11.592 115 HB2 MET 18 1HB MET 18 5.924 1.937 -10.117 116 HB3 MET 18 2HB MET 18 5.758 2.038 -11.865 117 HG2 MET 18 1HG MET 18 6.924 4.265 -11.732 118 HG3 MET 18 2HG MET 18 7.275 3.884 -10.047 119 HE1 MET 18 1HE MET 18 9.569 0.780 -10.294 120 HE2 MET 18 2HE MET 18 9.245 2.196 -9.293 121 HE3 MET 18 3HE MET 18 7.930 1.104 -9.729 122 H LYS 19 H LYS 19 3.778 1.772 -9.031 123 HA LYS 19 HA LYS 19 2.076 0.138 -10.553 124 HB2 LYS 19 1HB LYS 19 1.898 0.607 -7.574 125 HB3 LYS 19 2HB LYS 19 1.361 -0.814 -8.461 126 HG2 LYS 19 1HG LYS 19 4.222 0.088 -8.193 127 HG3 LYS 19 2HG LYS 19 3.459 -1.200 -7.255 128 HD2 LYS 19 1HD LYS 19 2.960 -2.358 -9.420 129 HD3 LYS 19 2HD LYS 19 3.940 -1.135 -10.231 130 HE2 LYS 19 1HE LYS 19 5.123 -2.580 -7.917 131 HE3 LYS 19 2HE LYS 19 4.960 -3.447 -9.443 132 HZ1 LYS 19 1HZ LYS 19 6.036 -0.860 -9.870 133 HZ2 LYS 19 2HZ LYS 19 6.695 -2.367 -10.261 134 HZ3 LYS 19 3HZ LYS 19 6.967 -1.697 -8.732 135 H THR 20 H THR 20 1.168 2.547 -8.079 136 HA THR 20 HA THR 20 -1.560 2.530 -8.474 137 HB THR 20 HB THR 20 -1.569 4.869 -7.616 138 HG1 THR 20 1HG THR 20 1.171 4.595 -8.181 139 HG21 THR 20 1HG2 THR 20 -1.506 3.028 -6.037 140 HG22 THR 20 2HG2 THR 20 -0.505 4.353 -5.445 141 HG23 THR 20 3HG2 THR 20 0.249 2.936 -6.175 142 H ALA 21 H ALA 21 0.925 4.092 -10.379 143 HA ALA 21 HA ALA 21 -0.326 5.994 -11.820 144 HB1 ALA 21 1HB ALA 21 1.362 3.861 -13.116 145 HB2 ALA 21 2HB ALA 21 1.140 5.527 -13.652 146 HB3 ALA 21 3HB ALA 21 2.012 5.190 -12.156 147 H GLY 22 H GLY 22 -0.607 2.499 -12.426 148 HA2 GLY 22 1HA GLY 22 -2.048 2.316 -14.684 149 HA3 GLY 22 2HA GLY 22 -2.431 1.341 -13.273 150 H TYR 23 H TYR 23 -3.397 3.330 -11.566 151 HA TYR 23 HA TYR 23 -5.951 3.908 -12.879 152 HB2 TYR 23 1HB TYR 23 -5.465 4.247 -9.939 153 HB3 TYR 23 2HB TYR 23 -6.959 3.846 -10.779 154 HD1 TYR 23 2HD TYR 23 -3.659 2.490 -9.771 155 HD2 TYR 23 1HD TYR 23 -7.601 1.600 -11.102 156 HE1 TYR 23 2HE TYR 23 -3.271 0.106 -9.310 157 HE2 TYR 23 1HE TYR 23 -7.224 -0.786 -10.643 158 HH TYR 23 HH TYR 23 -4.582 -2.226 -10.447 159 HA PRO 24 HA PRO 24 -5.004 8.213 -13.111 160 HB2 PRO 24 1HB PRO 24 -7.531 9.130 -13.489 161 HB3 PRO 24 2HB PRO 24 -6.607 8.311 -14.753 162 HG2 PRO 24 1HG PRO 24 -8.720 7.214 -12.938 163 HG3 PRO 24 2HG PRO 24 -8.489 6.946 -14.677 164 HD2 PRO 24 1HD PRO 24 -7.708 5.148 -12.808 165 HD3 PRO 24 2HD PRO 24 -6.840 5.370 -14.341 166 H ASN 25 H ASN 25 -7.907 7.379 -11.206 167 HA ASN 25 HA ASN 25 -7.935 9.670 -9.610 168 HB2 ASN 25 1HB ASN 25 -9.111 7.987 -7.945 169 HB3 ASN 25 2HB ASN 25 -9.902 8.484 -9.437 170 HD21 ASN 25 1HD2 ASN 25 -10.615 6.947 -10.730 171 HD22 ASN 25 2HD2 ASN 25 -10.149 5.285 -10.677 172 H VAL 26 H VAL 26 -6.419 6.511 -9.048 173 HA VAL 26 HA VAL 26 -5.392 7.141 -6.482 174 HB VAL 26 HB VAL 26 -4.338 5.098 -8.443 175 HG11 VAL 26 1HG1 VAL 26 -3.288 4.047 -6.619 176 HG12 VAL 26 2HG1 VAL 26 -2.915 5.763 -6.440 177 HG13 VAL 26 3HG1 VAL 26 -4.169 5.022 -5.443 178 HG21 VAL 26 1HG2 VAL 26 -6.470 4.337 -8.214 179 HG22 VAL 26 2HG2 VAL 26 -5.775 3.628 -6.756 180 HG23 VAL 26 3HG2 VAL 26 -6.704 5.124 -6.653 181 H ASN 27 H ASN 27 -3.505 8.041 -5.845 182 HA ASN 27 HA ASN 27 -1.331 8.461 -7.697 183 HB2 ASN 27 1HB ASN 27 -2.576 10.382 -8.332 184 HB3 ASN 27 2HB ASN 27 -2.990 10.757 -6.662 185 HD21 ASN 27 1HD2 ASN 27 -1.891 12.346 -5.793 186 HD22 ASN 27 2HD2 ASN 27 -0.305 12.861 -6.246 187 H VAL 28 H VAL 28 0.557 8.393 -6.646 188 HA VAL 28 HA VAL 28 0.513 8.734 -3.718 189 HB VAL 28 HB VAL 28 2.314 6.965 -5.376 190 HG11 VAL 28 1HG1 VAL 28 2.742 8.129 -2.826 191 HG12 VAL 28 2HG1 VAL 28 2.455 6.403 -2.595 192 HG13 VAL 28 3HG1 VAL 28 3.738 6.948 -3.676 193 HG21 VAL 28 1HG2 VAL 28 0.404 6.046 -3.261 194 HG22 VAL 28 2HG2 VAL 28 -0.144 6.312 -4.915 195 HG23 VAL 28 3HG2 VAL 28 1.124 5.131 -4.586 196 H HIS 29 H HIS 29 0.939 10.999 -3.981 197 HA HIS 29 HA HIS 29 3.522 11.728 -5.126 198 HB2 HIS 29 1HB HIS 29 1.583 13.125 -5.681 199 HB3 HIS 29 2HB HIS 29 1.326 13.460 -3.972 200 HD1 HIS 29 1HD HIS 29 1.805 15.915 -3.898 201 HD2 HIS 29 2HD HIS 29 4.801 13.769 -5.816 202 HE1 HIS 29 1HE HIS 29 3.662 17.564 -4.297 203 HE2 HIS 29 2HE HIS 29 5.429 16.263 -5.535 204 H ASN 30 H ASN 30 1.859 11.564 -2.039 205 HA ASN 30 HA ASN 30 4.437 11.985 -0.699 206 HB2 ASN 30 1HB ASN 30 2.874 13.115 1.136 207 HB3 ASN 30 2HB ASN 30 3.584 14.048 -0.178 208 HD21 ASN 30 1HD2 ASN 30 0.769 11.910 0.175 209 HD22 ASN 30 2HD2 ASN 30 -0.367 13.016 -0.510 210 H PHE 31 H PHE 31 4.323 11.283 1.643 211 HA PHE 31 HA PHE 31 2.833 8.761 1.769 212 HB2 PHE 31 1HB PHE 31 5.324 9.749 3.141 213 HB3 PHE 31 2HB PHE 31 4.453 8.335 3.726 214 HD1 PHE 31 2HD PHE 31 3.809 6.664 1.676 215 HD2 PHE 31 1HD PHE 31 7.139 9.312 1.828 216 HE1 PHE 31 2HE PHE 31 4.998 5.257 0.045 217 HE2 PHE 31 1HE PHE 31 8.333 7.910 0.196 218 HZ PHE 31 HZ PHE 31 7.263 5.878 -0.697 219 H THR 32 H THR 32 1.598 11.344 2.308 220 HA THR 32 HA THR 32 0.729 10.815 5.067 221 HB THR 32 HB THR 32 0.471 13.275 5.414 222 HG1 THR 32 1HG THR 32 1.980 14.482 3.892 223 HG21 THR 32 1HG2 THR 32 3.335 12.588 4.792 224 HG22 THR 32 2HG2 THR 32 2.474 11.897 6.167 225 HG23 THR 32 3HG2 THR 32 2.713 13.641 6.062 226 H THR 33 H THR 33 -0.136 13.180 2.548 227 HA THR 33 HA THR 33 -2.949 12.601 2.968 228 HB THR 33 HB THR 33 -3.377 14.462 1.433 229 HG1 THR 33 1HG THR 33 -1.046 15.554 1.062 230 HG21 THR 33 1HG2 THR 33 -1.497 14.813 3.724 231 HG22 THR 33 2HG2 THR 33 -3.181 15.310 3.565 232 HG23 THR 33 3HG2 THR 33 -1.913 16.213 2.737 233 H SER 34 H SER 34 -1.345 10.506 1.805 234 HA SER 34 HA SER 34 -2.607 10.326 -0.854 235 HB2 SER 34 1HB SER 34 -0.143 10.472 -0.995 236 HB3 SER 34 2HB SER 34 -0.008 9.048 0.035 237 HG SER 34 HG SER 34 -1.383 8.028 -1.673 238 H TRP 35 H TRP 35 -1.887 8.746 2.172 239 HA TRP 35 HA TRP 35 -3.494 6.426 1.330 240 HB2 TRP 35 1HB TRP 35 -1.724 6.471 3.763 241 HB3 TRP 35 2HB TRP 35 -2.316 5.082 2.856 242 HD1 TRP 35 HD TRP 35 0.193 8.002 2.432 243 HE1 TRP 35 1HE TRP 35 2.084 7.205 0.878 244 HE3 TRP 35 3HE TRP 35 -1.643 3.388 1.220 245 HZ2 TRP 35 2HZ TRP 35 2.713 4.923 -0.660 246 HZ3 TRP 35 3HZ TRP 35 -0.336 1.959 -0.299 247 HH2 TRP 35 HH TRP 35 1.797 2.713 -1.219 248 H ARG 36 H ARG 36 -3.987 9.243 2.734 249 HA ARG 36 HA ARG 36 -5.140 8.697 5.236 250 HB2 ARG 36 1HB ARG 36 -4.553 10.966 4.328 251 HB3 ARG 36 2HB ARG 36 -5.984 10.865 3.311 252 HG2 ARG 36 1HG ARG 36 -7.294 10.524 5.467 253 HG3 ARG 36 2HG ARG 36 -5.828 11.046 6.300 254 HD2 ARG 36 1HD ARG 36 -5.866 13.131 4.968 255 HD3 ARG 36 2HD ARG 36 -7.388 12.610 4.246 256 HE ARG 36 HE ARG 36 -6.991 13.671 6.900 257 HH11 ARG 36 1HH1 ARG 36 -9.074 11.841 4.796 258 HH12 ARG 36 2HH1 ARG 36 -10.501 12.142 5.731 259 HH21 ARG 36 1HH2 ARG 36 -8.862 14.076 8.139 260 HH22 ARG 36 2HH2 ARG 36 -10.379 13.415 7.632 261 H ASP 37 H ASP 37 -6.613 8.923 2.010 262 HA ASP 37 HA ASP 37 -9.244 8.325 2.881 263 HB2 ASP 37 1HB ASP 37 -7.919 8.177 0.172 264 HB3 ASP 37 2HB ASP 37 -9.626 7.824 0.423 265 H GLY 38 H GLY 38 -6.939 6.314 1.033 266 HA2 GLY 38 1HA GLY 38 -6.662 4.045 2.245 267 HA3 GLY 38 2HA GLY 38 -8.396 3.937 1.973 268 H LEU 39 H LEU 39 -8.434 5.123 -0.614 269 HA LEU 39 HA LEU 39 -8.383 3.087 -2.332 270 HB2 LEU 39 1HB LEU 39 -7.431 5.891 -2.869 271 HB3 LEU 39 2HB LEU 39 -7.732 4.707 -4.139 272 HG LEU 39 HG LEU 39 -9.803 5.767 -2.217 273 HD11 LEU 39 1HD1 LEU 39 -10.370 7.345 -3.713 274 HD12 LEU 39 2HD1 LEU 39 -10.005 6.317 -5.097 275 HD13 LEU 39 3HD1 LEU 39 -8.703 7.157 -4.256 276 HD21 LEU 39 1HD2 LEU 39 -9.765 3.419 -3.761 277 HD22 LEU 39 2HD2 LEU 39 -10.824 4.552 -4.602 278 HD23 LEU 39 3HD2 LEU 39 -11.136 4.137 -2.916 279 H ALA 40 H ALA 40 -5.512 5.131 -1.782 280 HA ALA 40 HA ALA 40 -3.645 4.027 -3.359 281 HB1 ALA 40 1HB ALA 40 -3.608 5.445 -0.885 282 HB2 ALA 40 2HB ALA 40 -2.368 4.191 -0.847 283 HB3 ALA 40 3HB ALA 40 -2.377 5.383 -2.147 284 H PHE 41 H PHE 41 -4.279 2.753 -0.083 285 HA PHE 41 HA PHE 41 -2.705 0.451 -0.364 286 HB2 PHE 41 1HB PHE 41 -5.045 1.074 1.437 287 HB3 PHE 41 2HB PHE 41 -4.131 -0.426 1.550 288 HD1 PHE 41 1HD PHE 41 -1.426 0.149 1.442 289 HD2 PHE 41 2HD PHE 41 -4.516 2.588 3.061 290 HE1 PHE 41 1HE PHE 41 0.218 1.261 2.896 291 HE2 PHE 41 2HE PHE 41 -2.876 3.705 4.516 292 HZ PHE 41 HZ PHE 41 -0.506 3.042 4.435 293 H ASN 42 H ASN 42 -6.091 1.067 -1.105 294 HA ASN 42 HA ASN 42 -6.673 -1.676 -1.730 295 HB2 ASN 42 1HB ASN 42 -8.236 0.836 -2.370 296 HB3 ASN 42 2HB ASN 42 -8.839 -0.812 -2.508 297 HD21 ASN 42 1HD2 ASN 42 -8.711 1.863 -0.576 298 HD22 ASN 42 2HD2 ASN 42 -9.123 1.137 0.936 299 H ALA 43 H ALA 43 -4.718 0.385 -3.230 300 HA ALA 43 HA ALA 43 -5.574 -0.318 -5.953 301 HB1 ALA 43 1HB ALA 43 -4.795 1.658 -6.639 302 HB2 ALA 43 2HB ALA 43 -4.726 2.088 -4.929 303 HB3 ALA 43 3HB ALA 43 -3.288 1.472 -5.742 304 H ILE 44 H ILE 44 -2.829 -0.472 -3.733 305 HA ILE 44 HA ILE 44 -0.955 -1.607 -5.474 306 HB ILE 44 HB ILE 44 -1.215 -2.036 -2.495 307 HG12 ILE 44 1HG1 ILE 44 0.551 -0.073 -3.960 308 HG13 ILE 44 2HG1 ILE 44 -1.034 0.353 -3.323 309 HG21 ILE 44 1HG2 ILE 44 1.148 -2.610 -2.552 310 HG22 ILE 44 2HG2 ILE 44 0.221 -3.697 -3.583 311 HG23 ILE 44 3HG2 ILE 44 1.171 -2.398 -4.302 312 HD11 ILE 44 1HD1 ILE 44 1.140 -0.788 -1.602 313 HD12 ILE 44 2HD1 ILE 44 0.958 0.941 -1.894 314 HD13 ILE 44 3HD1 ILE 44 -0.333 0.040 -1.102 315 H VAL 45 H VAL 45 -3.272 -3.163 -3.271 316 HA VAL 45 HA VAL 45 -2.526 -5.819 -3.862 317 HB VAL 45 HB VAL 45 -5.194 -4.778 -2.897 318 HG11 VAL 45 1HG1 VAL 45 -4.504 -7.428 -2.018 319 HG12 VAL 45 2HG1 VAL 45 -5.942 -6.871 -2.877 320 HG13 VAL 45 3HG1 VAL 45 -4.501 -7.342 -3.779 321 HG21 VAL 45 1HG2 VAL 45 -4.230 -5.666 -0.680 322 HG22 VAL 45 2HG2 VAL 45 -2.666 -5.561 -1.487 323 HG23 VAL 45 3HG2 VAL 45 -3.652 -4.113 -1.281 324 H HIS 46 H HIS 46 -5.500 -4.116 -4.866 325 HA HIS 46 HA HIS 46 -6.600 -5.809 -6.615 326 HB2 HIS 46 1HB HIS 46 -7.262 -3.386 -6.123 327 HB3 HIS 46 2HB HIS 46 -6.179 -2.939 -7.437 328 HD1 HIS 46 1HD HIS 46 -7.452 -2.537 -9.504 329 HD2 HIS 46 2HD HIS 46 -9.129 -5.594 -7.244 330 HE1 HIS 46 1HE HIS 46 -9.443 -3.330 -10.819 331 HE2 HIS 46 2HE HIS 46 -10.491 -5.123 -9.392 332 H LYS 47 H LYS 47 -3.844 -3.710 -7.402 333 HA LYS 47 HA LYS 47 -3.529 -4.411 -10.073 334 HB2 LYS 47 1HB LYS 47 -2.313 -2.600 -8.761 335 HB3 LYS 47 2HB LYS 47 -1.235 -3.867 -8.192 336 HG2 LYS 47 1HG LYS 47 -0.112 -2.921 -9.997 337 HG3 LYS 47 2HG LYS 47 -0.834 -4.388 -10.660 338 HD2 LYS 47 1HD LYS 47 -2.429 -3.216 -11.860 339 HD3 LYS 47 2HD LYS 47 -2.316 -1.796 -10.818 340 HE2 LYS 47 1HE LYS 47 -1.205 -1.040 -12.674 341 HE3 LYS 47 2HE LYS 47 0.139 -1.707 -11.748 342 HZ1 LYS 47 1HZ LYS 47 -1.296 -3.043 -13.978 343 HZ2 LYS 47 2HZ LYS 47 -0.079 -3.762 -13.048 344 HZ3 LYS 47 3HZ LYS 47 0.279 -2.426 -14.022 345 H HIS 48 H HIS 48 -2.085 -5.906 -7.189 346 HA HIS 48 HA HIS 48 -0.736 -7.941 -8.673 347 HB2 HIS 48 1HB HIS 48 -1.422 -7.979 -5.731 348 HB3 HIS 48 2HB HIS 48 -0.135 -8.868 -6.539 349 HD1 HIS 48 1HD HIS 48 1.293 -6.720 -8.081 350 HD2 HIS 48 2HD HIS 48 -0.134 -6.144 -4.221 351 HE1 HIS 48 1HE HIS 48 2.653 -4.826 -7.136 352 HE2 HIS 48 2HE HIS 48 1.830 -4.553 -4.771 353 H ARG 49 H ARG 49 -3.535 -8.045 -6.461 354 HA ARG 49 HA ARG 49 -4.444 -10.453 -7.896 355 HB2 ARG 49 1HB ARG 49 -4.744 -9.737 -4.977 356 HB3 ARG 49 2HB ARG 49 -5.588 -11.073 -5.749 357 HG2 ARG 49 1HG ARG 49 -2.639 -10.969 -6.027 358 HG3 ARG 49 2HG ARG 49 -3.306 -11.400 -4.451 359 HD2 ARG 49 1HD ARG 49 -2.846 -13.360 -5.895 360 HD3 ARG 49 2HD ARG 49 -4.536 -13.227 -5.410 361 HE ARG 49 HE ARG 49 -5.116 -12.806 -7.608 362 HH11 ARG 49 1HH1 ARG 49 -1.653 -12.827 -7.247 363 HH12 ARG 49 2HH1 ARG 49 -1.345 -12.862 -8.951 364 HH21 ARG 49 1HH2 ARG 49 -4.723 -12.853 -9.854 365 HH22 ARG 49 2HH2 ARG 49 -3.092 -12.876 -10.434 366 HA PRO 50 HA PRO 50 -7.661 -7.311 -8.710 367 HB2 PRO 50 1HB PRO 50 -8.418 -8.406 -11.077 368 HB3 PRO 50 2HB PRO 50 -7.042 -7.307 -10.923 369 HG2 PRO 50 1HG PRO 50 -7.071 -10.296 -11.072 370 HG3 PRO 50 2HG PRO 50 -5.987 -9.148 -11.877 371 HD2 PRO 50 1HD PRO 50 -5.273 -10.508 -9.647 372 HD3 PRO 50 2HD PRO 50 -4.681 -8.872 -9.997 373 H ASP 51 H ASP 51 -7.662 -10.444 -7.732 374 HA ASP 51 HA ASP 51 -10.494 -10.952 -8.215 375 HB2 ASP 51 1HB ASP 51 -8.559 -12.690 -6.682 376 HB3 ASP 51 2HB ASP 51 -10.101 -13.161 -7.391 377 H LEU 52 H LEU 52 -8.261 -10.572 -5.479 378 HA LEU 52 HA LEU 52 -9.871 -10.934 -3.332 379 HB2 LEU 52 1HB LEU 52 -7.985 -8.604 -3.639 380 HB3 LEU 52 2HB LEU 52 -8.533 -9.320 -2.125 381 HG LEU 52 HG LEU 52 -6.681 -10.544 -4.164 382 HD11 LEU 52 1HD1 LEU 52 -6.359 -9.172 -1.584 383 HD12 LEU 52 2HD1 LEU 52 -5.233 -9.349 -2.930 384 HD13 LEU 52 3HD1 LEU 52 -5.435 -10.663 -1.771 385 HD21 LEU 52 1HD2 LEU 52 -7.667 -12.468 -3.504 386 HD22 LEU 52 2HD2 LEU 52 -8.304 -11.762 -2.017 387 HD23 LEU 52 3HD2 LEU 52 -6.614 -12.261 -2.104 388 H LEU 53 H LEU 53 -9.440 -7.714 -4.813 389 HA LEU 53 HA LEU 53 -12.225 -7.111 -4.069 390 HB2 LEU 53 1HB LEU 53 -11.618 -4.865 -3.534 391 HB3 LEU 53 2HB LEU 53 -10.574 -5.957 -2.627 392 HG LEU 53 HG LEU 53 -9.635 -4.756 -5.205 393 HD11 LEU 53 1HD1 LEU 53 -8.819 -3.366 -2.763 394 HD12 LEU 53 2HD1 LEU 53 -10.515 -3.146 -3.193 395 HD13 LEU 53 3HD1 LEU 53 -9.250 -2.724 -4.347 396 HD21 LEU 53 1HD2 LEU 53 -7.661 -5.627 -4.636 397 HD22 LEU 53 2HD2 LEU 53 -8.558 -6.584 -3.458 398 HD23 LEU 53 3HD2 LEU 53 -7.796 -5.069 -2.969 399 H ASP 54 H ASP 54 -12.819 -4.903 -5.287 400 HA ASP 54 HA ASP 54 -12.226 -5.406 -8.125 401 HB2 ASP 54 1HB ASP 54 -14.648 -5.508 -7.056 402 HB3 ASP 54 2HB ASP 54 -14.569 -3.762 -7.279 403 H PHE 55 H PHE 55 -12.635 -2.869 -5.699 404 HA PHE 55 HA PHE 55 -11.796 -0.760 -5.556 405 HB2 PHE 55 1HB PHE 55 -9.687 -1.945 -6.318 406 HB3 PHE 55 2HB PHE 55 -10.080 -1.418 -7.952 407 HD1 PHE 55 1HD PHE 55 -9.334 -0.193 -4.538 408 HD2 PHE 55 2HD PHE 55 -9.521 0.729 -8.689 409 HE1 PHE 55 1HE PHE 55 -8.211 1.954 -4.107 410 HE2 PHE 55 2HE PHE 55 -8.398 2.877 -8.265 411 HZ PHE 55 HZ PHE 55 -7.741 3.492 -5.972 412 H GLU 56 H GLU 56 -14.094 -1.426 -7.254 413 HA GLU 56 HA GLU 56 -14.004 0.919 -9.034 414 HB2 GLU 56 1HB GLU 56 -15.318 -0.188 -10.658 415 HB3 GLU 56 2HB GLU 56 -14.063 -1.333 -10.204 416 HG2 GLU 56 1HG GLU 56 -15.547 -2.661 -8.988 417 HG3 GLU 56 2HG GLU 56 -16.765 -1.388 -8.914 418 H SER 57 H SER 57 -15.796 -0.981 -6.726 419 HA SER 57 HA SER 57 -18.157 0.689 -6.913 420 HB2 SER 57 1HB SER 57 -17.397 -1.774 -5.407 421 HB3 SER 57 2HB SER 57 -18.696 -0.772 -4.758 422 HG SER 57 HG SER 57 -18.662 -1.593 -7.461 423 H LEU 58 H LEU 58 -15.406 0.239 -4.770 424 HA LEU 58 HA LEU 58 -16.037 1.517 -2.493 425 HB2 LEU 58 1HB LEU 58 -13.542 2.061 -4.095 426 HB3 LEU 58 2HB LEU 58 -13.744 2.345 -2.368 427 HG LEU 58 HG LEU 58 -13.805 -0.359 -3.707 428 HD11 LEU 58 1HD1 LEU 58 -11.615 1.298 -2.996 429 HD12 LEU 58 2HD1 LEU 58 -11.594 -0.355 -3.608 430 HD13 LEU 58 3HD1 LEU 58 -11.668 -0.060 -1.870 431 HD21 LEU 58 1HD2 LEU 58 -13.930 0.488 -0.818 432 HD22 LEU 58 2HD2 LEU 58 -13.623 -1.165 -1.352 433 HD23 LEU 58 3HD2 LEU 58 -15.159 -0.384 -1.735 434 H LYS 59 H LYS 59 -16.536 3.517 -1.781 435 HA LYS 59 HA LYS 59 -16.754 5.638 -3.812 436 HB2 LYS 59 1HB LYS 59 -18.306 5.203 -1.255 437 HB3 LYS 59 2HB LYS 59 -18.461 6.629 -2.273 438 HG2 LYS 59 1HG LYS 59 -19.535 5.480 -3.954 439 HG3 LYS 59 2HG LYS 59 -18.864 3.923 -3.462 440 HD2 LYS 59 1HD LYS 59 -20.666 5.340 -1.565 441 HD3 LYS 59 2HD LYS 59 -21.387 4.569 -2.981 442 HE2 LYS 59 1HE LYS 59 -19.968 2.517 -2.270 443 HE3 LYS 59 2HE LYS 59 -19.878 3.331 -0.709 444 HZ1 LYS 59 1HZ LYS 59 -21.741 2.054 -0.446 445 HZ2 LYS 59 2HZ LYS 59 -22.209 2.175 -2.068 446 HZ3 LYS 59 3HZ LYS 59 -22.444 3.482 -1.020 447 H LYS 60 H LYS 60 -15.317 7.216 -3.666 448 HA LYS 60 HA LYS 60 -13.343 7.542 -1.827 449 HB2 LYS 60 1HB LYS 60 -14.792 9.698 -3.371 450 HB3 LYS 60 2HB LYS 60 -13.278 9.953 -2.513 451 HG2 LYS 60 1HG LYS 60 -12.193 8.285 -3.937 452 HG3 LYS 60 2HG LYS 60 -13.712 8.045 -4.803 453 HD2 LYS 60 1HD LYS 60 -13.651 10.206 -5.727 454 HD3 LYS 60 2HD LYS 60 -12.423 10.751 -4.580 455 HE2 LYS 60 1HE LYS 60 -10.828 9.156 -5.624 456 HE3 LYS 60 2HE LYS 60 -12.058 8.773 -6.829 457 HZ1 LYS 60 1HZ LYS 60 -12.010 11.010 -7.616 458 HZ2 LYS 60 2HZ LYS 60 -10.415 10.450 -7.564 459 HZ3 LYS 60 3HZ LYS 60 -10.980 11.500 -6.366 460 H CYS 61 H CYS 61 -16.580 8.982 -1.685 461 HA CYS 61 HA CYS 61 -16.503 10.694 0.366 462 HB2 CYS 61 1HB CYS 61 -18.543 9.657 -0.869 463 HB3 CYS 61 2HB CYS 61 -18.577 8.523 0.475 464 HG CYS 61 HG CYS 61 -18.368 11.391 1.891 465 H ASN 62 H ASN 62 -16.971 7.201 0.944 466 HA ASN 62 HA ASN 62 -16.260 7.531 3.731 467 HB2 ASN 62 1HB ASN 62 -16.724 5.097 3.881 468 HB3 ASN 62 2HB ASN 62 -18.066 6.001 3.186 469 HD21 ASN 62 1HD2 ASN 62 -15.326 3.939 2.429 470 HD22 ASN 62 2HD2 ASN 62 -15.956 3.335 0.937 471 H ALA 63 H ALA 63 -14.322 7.164 4.606 472 HA ALA 63 HA ALA 63 -12.231 6.013 2.880 473 HB1 ALA 63 1HB ALA 63 -10.620 7.302 4.085 474 HB2 ALA 63 2HB ALA 63 -11.936 8.380 3.618 475 HB3 ALA 63 3HB ALA 63 -11.825 7.792 5.277 476 H HIS 64 H HIS 64 -13.409 6.103 6.230 477 HA HIS 64 HA HIS 64 -11.722 4.378 7.485 478 HB2 HIS 64 1HB HIS 64 -13.836 5.557 8.379 479 HB3 HIS 64 2HB HIS 64 -14.697 4.111 7.861 480 HD1 HIS 64 1HD HIS 64 -12.231 5.328 10.398 481 HD2 HIS 64 2HD HIS 64 -14.276 1.842 9.436 482 HE1 HIS 64 1HE HIS 64 -11.900 3.792 12.362 483 HE2 HIS 64 2HE HIS 64 -13.075 1.659 11.720 484 H TYR 65 H TYR 65 -14.614 3.412 5.640 485 HA TYR 65 HA TYR 65 -14.301 0.651 5.920 486 HB2 TYR 65 1HB TYR 65 -16.367 1.641 5.090 487 HB3 TYR 65 2HB TYR 65 -15.542 2.214 3.646 488 HD1 TYR 65 2HD TYR 65 -14.456 0.391 2.145 489 HD2 TYR 65 1HD TYR 65 -17.450 -0.416 5.059 490 HE1 TYR 65 2HE TYR 65 -15.002 -1.712 0.993 491 HE2 TYR 65 1HE TYR 65 -18.003 -2.522 3.915 492 HH TYR 65 HH TYR 65 -16.789 -3.292 0.793 493 H ASN 66 H ASN 66 -13.334 2.722 3.182 494 HA ASN 66 HA ASN 66 -12.108 0.824 1.607 495 HB2 ASN 66 1HB ASN 66 -11.767 3.758 1.975 496 HB3 ASN 66 2HB ASN 66 -10.511 2.906 1.081 497 HD21 ASN 66 1HD2 ASN 66 -13.472 4.415 0.884 498 HD22 ASN 66 2HD2 ASN 66 -13.957 3.849 -0.675 499 H LEU 67 H LEU 67 -10.746 2.620 4.335 500 HA LEU 67 HA LEU 67 -8.110 1.637 4.086 501 HB2 LEU 67 1HB LEU 67 -9.672 2.852 6.336 502 HB3 LEU 67 2HB LEU 67 -8.035 2.250 6.589 503 HG LEU 67 HG LEU 67 -8.655 4.297 4.478 504 HD11 LEU 67 1HD1 LEU 67 -7.478 5.382 6.881 505 HD12 LEU 67 2HD1 LEU 67 -9.073 4.699 7.196 506 HD13 LEU 67 3HD1 LEU 67 -8.874 5.938 5.957 507 HD21 LEU 67 1HD2 LEU 67 -6.412 2.844 4.962 508 HD22 LEU 67 2HD2 LEU 67 -6.105 4.284 5.934 509 HD23 LEU 67 3HD2 LEU 67 -6.431 4.437 4.206 510 H GLN 68 H GLN 68 -10.466 0.818 6.636 511 HA GLN 68 HA GLN 68 -9.209 -1.376 7.681 512 HB2 GLN 68 1HB GLN 68 -11.233 -1.955 8.690 513 HB3 GLN 68 2HB GLN 68 -11.398 -0.228 8.406 514 HG2 GLN 68 1HG GLN 68 -12.838 -0.569 6.568 515 HG3 GLN 68 2HG GLN 68 -12.467 -2.291 6.506 516 HE21 GLN 68 1HE2 GLN 68 -14.450 0.133 7.842 517 HE22 GLN 68 2HE2 GLN 68 -15.404 -0.882 8.864 518 H ASN 69 H ASN 69 -11.196 -1.209 4.782 519 HA ASN 69 HA ASN 69 -11.588 -3.901 4.273 520 HB2 ASN 69 1HB ASN 69 -12.460 -1.850 2.985 521 HB3 ASN 69 2HB ASN 69 -10.947 -1.933 2.086 522 HD21 ASN 69 1HD2 ASN 69 -10.638 -3.538 0.604 523 HD22 ASN 69 2HD2 ASN 69 -11.883 -4.632 0.116 524 H ALA 70 H ALA 70 -8.919 -1.862 3.075 525 HA ALA 70 HA ALA 70 -7.475 -3.962 1.878 526 HB1 ALA 70 1HB ALA 70 -7.249 -1.242 1.929 527 HB2 ALA 70 2HB ALA 70 -5.851 -1.746 2.878 528 HB3 ALA 70 3HB ALA 70 -6.064 -2.349 1.234 529 H PHE 71 H PHE 71 -7.004 -2.329 5.011 530 HA PHE 71 HA PHE 71 -4.827 -3.705 5.950 531 HB2 PHE 71 1HB PHE 71 -7.251 -2.694 7.441 532 HB3 PHE 71 2HB PHE 71 -5.825 -3.333 8.253 533 HD1 PHE 71 2HD PHE 71 -3.640 -2.239 6.669 534 HD2 PHE 71 1HD PHE 71 -7.295 -0.433 7.894 535 HE1 PHE 71 2HE PHE 71 -2.581 -0.021 6.550 536 HE2 PHE 71 1HE PHE 71 -6.241 1.788 7.776 537 HZ PHE 71 HZ PHE 71 -3.881 1.995 7.104 538 H ASN 72 H ASN 72 -8.219 -4.709 6.049 539 HA ASN 72 HA ASN 72 -7.730 -7.113 7.497 540 HB2 ASN 72 1HB ASN 72 -10.065 -6.212 5.800 541 HB3 ASN 72 2HB ASN 72 -10.049 -7.720 6.709 542 HD21 ASN 72 1HD2 ASN 72 -11.327 -4.830 6.800 543 HD22 ASN 72 2HD2 ASN 72 -11.343 -4.509 8.497 544 H LEU 73 H LEU 73 -8.629 -6.583 4.082 545 HA LEU 73 HA LEU 73 -8.390 -9.133 3.130 546 HB2 LEU 73 1HB LEU 73 -7.912 -6.453 1.933 547 HB3 LEU 73 2HB LEU 73 -7.433 -7.876 1.009 548 HG LEU 73 HG LEU 73 -10.216 -7.223 1.976 549 HD11 LEU 73 1HD1 LEU 73 -10.623 -7.192 -0.530 550 HD12 LEU 73 2HD1 LEU 73 -8.872 -7.098 -0.706 551 HD13 LEU 73 3HD1 LEU 73 -9.741 -5.825 0.149 552 HD21 LEU 73 1HD2 LEU 73 -10.181 -9.287 0.043 553 HD22 LEU 73 2HD2 LEU 73 -10.710 -9.370 1.723 554 HD23 LEU 73 3HD2 LEU 73 -9.033 -9.724 1.307 555 H ALA 74 H ALA 74 -5.760 -6.730 3.269 556 HA ALA 74 HA ALA 74 -3.735 -8.462 2.360 557 HB1 ALA 74 1HB ALA 74 -2.482 -6.598 3.999 558 HB2 ALA 74 2HB ALA 74 -2.756 -6.468 2.262 559 HB3 ALA 74 3HB ALA 74 -3.916 -5.771 3.391 560 H GLU 75 H GLU 75 -5.253 -8.089 5.441 561 HA GLU 75 HA GLU 75 -3.128 -9.498 6.849 562 HB2 GLU 75 1HB GLU 75 -4.216 -7.641 7.993 563 HB3 GLU 75 2HB GLU 75 -5.783 -8.419 7.811 564 HG2 GLU 75 1HG GLU 75 -3.566 -9.794 9.267 565 HG3 GLU 75 2HG GLU 75 -4.550 -8.572 10.069 566 H LYS 76 H LYS 76 -5.918 -10.237 5.101 567 HA LYS 76 HA LYS 76 -6.276 -12.803 6.489 568 HB2 LYS 76 1HB LYS 76 -8.292 -11.394 6.159 569 HB3 LYS 76 2HB LYS 76 -8.050 -11.491 4.420 570 HG2 LYS 76 1HG LYS 76 -8.684 -13.701 4.317 571 HG3 LYS 76 2HG LYS 76 -8.299 -13.999 6.013 572 HD2 LYS 76 1HD LYS 76 -10.651 -13.992 5.899 573 HD3 LYS 76 2HD LYS 76 -10.213 -12.418 6.567 574 HE2 LYS 76 1HE LYS 76 -10.288 -11.619 4.110 575 HE3 LYS 76 2HE LYS 76 -11.198 -13.101 3.820 576 HZ1 LYS 76 1HZ LYS 76 -12.740 -12.361 5.604 577 HZ2 LYS 76 2HZ LYS 76 -12.738 -11.361 4.241 578 HZ3 LYS 76 3HZ LYS 76 -11.927 -10.877 5.644 579 H GLU 77 H GLU 77 -6.433 -11.633 3.118 580 HA GLU 77 HA GLU 77 -5.915 -14.134 1.954 581 HB2 GLU 77 1HB GLU 77 -5.343 -11.402 0.793 582 HB3 GLU 77 2HB GLU 77 -5.503 -12.900 -0.111 583 HG2 GLU 77 1HG GLU 77 -7.697 -11.654 1.527 584 HG3 GLU 77 2HG GLU 77 -7.502 -11.451 -0.213 585 H LEU 78 H LEU 78 -3.700 -11.340 1.933 586 HA LEU 78 HA LEU 78 -1.421 -12.868 1.301 587 HB2 LEU 78 1HB LEU 78 -1.373 -10.236 2.748 588 HB3 LEU 78 2HB LEU 78 -0.163 -10.901 1.652 589 HG LEU 78 HG LEU 78 -2.920 -10.013 0.807 590 HD11 LEU 78 1HD1 LEU 78 -1.700 -8.091 1.583 591 HD12 LEU 78 2HD1 LEU 78 -1.739 -8.075 -0.180 592 HD13 LEU 78 3HD1 LEU 78 -0.275 -8.575 0.665 593 HD21 LEU 78 1HD2 LEU 78 -1.343 -9.943 -1.392 594 HD22 LEU 78 2HD2 LEU 78 -2.365 -11.310 -0.945 595 HD23 LEU 78 3HD2 LEU 78 -0.650 -11.319 -0.530 596 H GLY 79 H GLY 79 -2.545 -11.518 4.398 597 HA2 GLY 79 1HA GLY 79 -2.359 -12.702 6.455 598 HA3 GLY 79 2HA GLY 79 -1.032 -13.626 5.769 599 H LEU 80 H LEU 80 -1.480 -10.113 5.800 600 HA LEU 80 HA LEU 80 1.108 -9.883 7.165 601 HB2 LEU 80 1HB LEU 80 -0.471 -7.897 5.541 602 HB3 LEU 80 2HB LEU 80 1.040 -7.525 6.370 603 HG LEU 80 HG LEU 80 1.000 -9.752 4.388 604 HD11 LEU 80 1HD1 LEU 80 1.789 -7.644 2.869 605 HD12 LEU 80 2HD1 LEU 80 0.466 -6.932 3.792 606 HD13 LEU 80 3HD1 LEU 80 0.185 -8.376 2.817 607 HD21 LEU 80 1HD2 LEU 80 3.216 -9.593 4.565 608 HD22 LEU 80 2HD2 LEU 80 2.926 -8.559 5.964 609 HD23 LEU 80 3HD2 LEU 80 3.187 -7.840 4.374 610 H THR 81 H THR 81 1.368 -8.173 8.771 611 HA THR 81 HA THR 81 -0.985 -8.024 10.500 612 HB THR 81 HB THR 81 1.911 -7.376 11.079 613 HG1 THR 81 1HG THR 81 1.001 -9.356 12.567 614 HG21 THR 81 1HG2 THR 81 1.286 -7.095 13.369 615 HG22 THR 81 2HG2 THR 81 -0.373 -7.592 13.037 616 HG23 THR 81 3HG2 THR 81 0.232 -6.061 12.406 617 H LYS 82 H LYS 82 -2.243 -6.306 10.191 618 HA LYS 82 HA LYS 82 -1.483 -3.919 8.937 619 HB2 LYS 82 1HB LYS 82 -3.614 -3.010 9.842 620 HB3 LYS 82 2HB LYS 82 -3.803 -4.561 9.037 621 HG2 LYS 82 1HG LYS 82 -3.555 -5.536 11.432 622 HG3 LYS 82 2HG LYS 82 -3.983 -3.901 11.941 623 HD2 LYS 82 1HD LYS 82 -6.101 -4.028 11.016 624 HD3 LYS 82 2HD LYS 82 -5.641 -5.301 9.883 625 HE2 LYS 82 1HE LYS 82 -5.873 -6.961 11.444 626 HE3 LYS 82 2HE LYS 82 -5.512 -5.888 12.796 627 HZ1 LYS 82 1HZ LYS 82 -8.012 -5.663 11.229 628 HZ2 LYS 82 2HZ LYS 82 -7.668 -5.005 12.749 629 HZ3 LYS 82 3HZ LYS 82 -7.885 -6.674 12.580 630 H LEU 83 H LEU 83 0.427 -3.173 9.909 631 HA LEU 83 HA LEU 83 0.804 -2.696 12.635 632 HB2 LEU 83 1HB LEU 83 1.978 -1.050 10.407 633 HB3 LEU 83 2HB LEU 83 2.651 -1.325 12.012 634 HG LEU 83 HG LEU 83 2.352 -3.445 9.886 635 HD11 LEU 83 1HD1 LEU 83 5.050 -2.959 10.451 636 HD12 LEU 83 2HD1 LEU 83 4.313 -1.374 10.219 637 HD13 LEU 83 3HD1 LEU 83 4.180 -2.601 8.959 638 HD21 LEU 83 1HD2 LEU 83 2.411 -4.652 11.830 639 HD22 LEU 83 2HD2 LEU 83 3.329 -3.420 12.699 640 HD23 LEU 83 3HD2 LEU 83 4.139 -4.464 11.529 641 H LEU 84 H LEU 84 -0.647 -0.700 10.123 642 HA LEU 84 HA LEU 84 -1.130 1.444 12.054 643 HB2 LEU 84 1HB LEU 84 -1.730 1.362 9.102 644 HB3 LEU 84 2HB LEU 84 -1.823 2.774 10.153 645 HG LEU 84 HG LEU 84 0.748 1.303 9.608 646 HD11 LEU 84 1HD1 LEU 84 -0.575 2.438 7.612 647 HD12 LEU 84 2HD1 LEU 84 1.176 2.565 7.766 648 HD13 LEU 84 3HD1 LEU 84 0.148 3.894 8.295 649 HD21 LEU 84 1HD2 LEU 84 1.280 2.587 11.387 650 HD22 LEU 84 2HD2 LEU 84 -0.066 3.698 11.127 651 HD23 LEU 84 3HD2 LEU 84 1.404 3.852 10.163 652 H ASP 85 H ASP 85 -3.398 2.564 11.498 653 HA ASP 85 HA ASP 85 -5.462 0.471 11.431 654 HB2 ASP 85 1HB ASP 85 -5.216 2.716 13.439 655 HB3 ASP 85 2HB ASP 85 -6.681 1.763 13.218 656 HA PRO 86 HA PRO 86 -7.572 3.064 8.586 657 HB2 PRO 86 1HB PRO 86 -10.152 2.399 9.108 658 HB3 PRO 86 2HB PRO 86 -9.031 1.318 8.271 659 HG2 PRO 86 1HG PRO 86 -9.866 1.326 11.146 660 HG3 PRO 86 2HG PRO 86 -9.667 -0.048 10.043 661 HD2 PRO 86 1HD PRO 86 -7.795 0.631 11.877 662 HD3 PRO 86 2HD PRO 86 -7.378 -0.092 10.310 663 H GLU 87 H GLU 87 -7.610 3.615 11.856 664 HA GLU 87 HA GLU 87 -9.342 5.984 11.577 665 HB2 GLU 87 1HB GLU 87 -9.541 5.892 14.070 666 HB3 GLU 87 2HB GLU 87 -10.252 4.516 13.238 667 HG2 GLU 87 1HG GLU 87 -8.164 3.241 13.715 668 HG3 GLU 87 2HG GLU 87 -7.627 4.600 14.702 669 H ASP 88 H ASP 88 -6.275 4.760 12.797 670 HA ASP 88 HA ASP 88 -5.368 7.259 13.828 671 HB2 ASP 88 1HB ASP 88 -4.134 4.592 13.302 672 HB3 ASP 88 2HB ASP 88 -3.068 5.974 13.542 673 H VAL 89 H VAL 89 -4.792 5.483 10.814 674 HA VAL 89 HA VAL 89 -2.956 7.307 9.699 675 HB VAL 89 HB VAL 89 -4.841 5.406 8.299 676 HG11 VAL 89 1HG1 VAL 89 -3.019 7.402 7.278 677 HG12 VAL 89 2HG1 VAL 89 -2.570 5.783 6.739 678 HG13 VAL 89 3HG1 VAL 89 -4.190 6.402 6.418 679 HG21 VAL 89 1HG2 VAL 89 -1.918 5.063 8.949 680 HG22 VAL 89 2HG2 VAL 89 -3.232 4.386 9.911 681 HG23 VAL 89 3HG2 VAL 89 -3.005 3.868 8.241 682 H ASN 90 H ASN 90 -6.471 6.966 9.279 683 HA ASN 90 HA ASN 90 -6.798 9.079 7.459 684 HB2 ASN 90 1HB ASN 90 -8.476 7.251 8.098 685 HB3 ASN 90 2HB ASN 90 -8.873 8.257 9.488 686 HD21 ASN 90 1HD2 ASN 90 -11.000 8.064 8.328 687 HD22 ASN 90 2HD2 ASN 90 -11.368 9.290 7.167 688 H VAL 91 H VAL 91 -5.566 10.840 8.169 689 HA VAL 91 HA VAL 91 -6.948 12.569 10.032 690 HB VAL 91 HB VAL 91 -5.414 11.257 11.488 691 HG11 VAL 91 1HG1 VAL 91 -3.647 11.004 9.715 692 HG12 VAL 91 2HG1 VAL 91 -3.181 12.673 10.048 693 HG13 VAL 91 3HG1 VAL 91 -3.054 11.451 11.315 694 HG21 VAL 91 1HG2 VAL 91 -4.762 13.084 12.776 695 HG22 VAL 91 2HG2 VAL 91 -4.437 14.089 11.363 696 HG23 VAL 91 3HG2 VAL 91 -6.100 13.718 11.818 697 H ASP 92 H ASP 92 -5.864 14.750 10.138 698 HA ASP 92 HA ASP 92 -5.597 15.867 7.636 699 HB2 ASP 92 1HB ASP 92 -4.436 16.828 10.258 700 HB3 ASP 92 2HB ASP 92 -4.532 17.807 8.797 701 H GLN 93 H GLN 93 -2.936 15.084 9.879 702 HA GLN 93 HA GLN 93 -1.196 14.697 7.548 703 HB2 GLN 93 1HB GLN 93 -0.565 16.331 10.005 704 HB3 GLN 93 2HB GLN 93 0.661 15.774 8.875 705 HG2 GLN 93 1HG GLN 93 -1.670 17.330 7.862 706 HG3 GLN 93 2HG GLN 93 -0.343 18.165 8.667 707 HE21 GLN 93 1HE2 GLN 93 -1.394 17.917 5.802 708 HE22 GLN 93 2HE2 GLN 93 0.035 17.629 4.875 709 HA PRO 94 HA PRO 94 -0.957 11.043 10.322 710 HB2 PRO 94 1HB PRO 94 -0.696 9.259 8.293 711 HB3 PRO 94 2HB PRO 94 -2.264 9.849 8.858 712 HG2 PRO 94 1HG PRO 94 -0.648 10.727 6.495 713 HG3 PRO 94 2HG PRO 94 -2.394 10.438 6.612 714 HD2 PRO 94 1HD PRO 94 -1.320 12.922 6.699 715 HD3 PRO 94 2HD PRO 94 -2.796 12.488 7.584 716 H ASP 95 H ASP 95 0.911 10.353 11.159 717 HA ASP 95 HA ASP 95 3.398 11.244 10.443 718 HB2 ASP 95 1HB ASP 95 2.711 8.623 11.790 719 HB3 ASP 95 2HB ASP 95 4.312 9.357 11.773 720 H GLU 96 H GLU 96 3.954 11.143 8.311 721 HA GLU 96 HA GLU 96 3.561 9.091 6.519 722 HB2 GLU 96 1HB GLU 96 5.381 10.029 5.213 723 HB3 GLU 96 2HB GLU 96 4.417 11.323 5.912 724 HG2 GLU 96 1HG GLU 96 6.245 11.146 7.820 725 HG3 GLU 96 2HG GLU 96 7.204 10.507 6.487 726 H LYS 97 H LYS 97 6.220 9.513 8.811 727 HA LYS 97 HA LYS 97 7.842 7.404 7.973 728 HB2 LYS 97 1HB LYS 97 7.428 8.528 10.748 729 HB3 LYS 97 2HB LYS 97 8.728 7.429 10.306 730 HG2 LYS 97 1HG LYS 97 8.307 10.110 9.009 731 HG3 LYS 97 2HG LYS 97 9.361 9.844 10.400 732 HD2 LYS 97 1HD LYS 97 10.892 8.631 9.176 733 HD3 LYS 97 2HD LYS 97 9.699 8.146 7.968 734 HE2 LYS 97 1HE LYS 97 10.954 9.692 6.803 735 HE3 LYS 97 2HE LYS 97 9.630 10.687 7.411 736 HZ1 LYS 97 1HZ LYS 97 11.246 11.072 9.383 737 HZ2 LYS 97 2HZ LYS 97 11.456 11.942 7.948 738 HZ3 LYS 97 3HZ LYS 97 12.438 10.605 8.276 739 H SER 98 H SER 98 4.997 7.435 10.029 740 HA SER 98 HA SER 98 5.269 4.733 10.915 741 HB2 SER 98 1HB SER 98 3.888 6.705 11.946 742 HB3 SER 98 2HB SER 98 2.630 6.159 10.838 743 HG SER 98 HG SER 98 3.922 4.258 12.433 744 H ILE 99 H ILE 99 4.329 6.130 7.993 745 HA ILE 99 HA ILE 99 2.662 3.844 7.227 746 HB ILE 99 HB ILE 99 3.206 6.428 5.760 747 HG12 ILE 99 1HG1 ILE 99 0.665 5.464 7.087 748 HG13 ILE 99 2HG1 ILE 99 1.802 6.580 7.836 749 HG21 ILE 99 1HG2 ILE 99 1.080 4.446 5.042 750 HG22 ILE 99 2HG2 ILE 99 1.778 5.735 4.063 751 HG23 ILE 99 3HG2 ILE 99 2.718 4.285 4.411 752 HD11 ILE 99 1HD1 ILE 99 0.371 8.094 6.974 753 HD12 ILE 99 2HD1 ILE 99 1.382 7.879 5.546 754 HD13 ILE 99 3HD1 ILE 99 -0.155 7.025 5.675 755 H ILE 100 H ILE 100 5.492 5.669 6.071 756 HA ILE 100 HA ILE 100 6.182 4.174 3.875 757 HB ILE 100 HB ILE 100 8.063 5.397 5.897 758 HG12 ILE 100 1HG1 ILE 100 7.337 6.569 3.232 759 HG13 ILE 100 2HG1 ILE 100 6.275 6.806 4.615 760 HG21 ILE 100 1HG2 ILE 100 8.709 4.842 3.023 761 HG22 ILE 100 2HG2 ILE 100 9.805 5.195 4.358 762 HG23 ILE 100 3HG2 ILE 100 8.987 3.635 4.278 763 HD11 ILE 100 1HD1 ILE 100 8.101 8.564 4.039 764 HD12 ILE 100 2HD1 ILE 100 7.791 8.127 5.721 765 HD13 ILE 100 3HD1 ILE 100 9.174 7.438 4.871 766 H THR 101 H THR 101 6.677 3.412 7.265 767 HA THR 101 HA THR 101 8.397 1.180 6.813 768 HB THR 101 HB THR 101 6.697 1.738 9.250 769 HG1 THR 101 1HG THR 101 8.501 3.296 8.327 770 HG21 THR 101 1HG2 THR 101 7.733 0.023 10.257 771 HG22 THR 101 2HG2 THR 101 9.304 0.474 9.593 772 HG23 THR 101 3HG2 THR 101 8.186 -0.494 8.634 773 H TYR 102 H TYR 102 4.924 1.596 7.240 774 HA TYR 102 HA TYR 102 4.352 -1.204 7.347 775 HB2 TYR 102 1HB TYR 102 2.803 0.318 8.379 776 HB3 TYR 102 2HB TYR 102 2.592 1.207 6.876 777 HD1 TYR 102 1HD TYR 102 2.086 -2.178 8.354 778 HD2 TYR 102 2HD TYR 102 0.822 0.678 5.465 779 HE1 TYR 102 1HE TYR 102 0.173 -3.614 7.782 780 HE2 TYR 102 2HE TYR 102 -1.096 -0.749 4.885 781 HH TYR 102 HH TYR 102 -1.930 -3.556 6.754 782 H VAL 103 H VAL 103 3.753 1.285 4.863 783 HA VAL 103 HA VAL 103 2.833 -0.420 2.861 784 HB VAL 103 HB VAL 103 2.671 2.047 2.762 785 HG11 VAL 103 1HG1 VAL 103 5.610 1.790 2.676 786 HG12 VAL 103 2HG1 VAL 103 4.902 2.998 1.601 787 HG13 VAL 103 3HG1 VAL 103 4.600 3.075 3.338 788 HG21 VAL 103 1HG2 VAL 103 3.885 1.910 0.250 789 HG22 VAL 103 2HG2 VAL 103 3.366 0.263 0.609 790 HG23 VAL 103 3HG2 VAL 103 2.196 1.581 0.639 791 H ALA 104 H ALA 104 6.014 0.052 4.075 792 HA ALA 104 HA ALA 104 7.521 -0.705 1.815 793 HB1 ALA 104 1HB ALA 104 9.056 -1.530 3.906 794 HB2 ALA 104 2HB ALA 104 8.991 0.122 3.291 795 HB3 ALA 104 3HB ALA 104 8.007 -0.341 4.680 796 H THR 105 H THR 105 5.755 -2.533 4.197 797 HA THR 105 HA THR 105 6.985 -5.045 3.775 798 HB THR 105 HB THR 105 5.033 -6.017 4.866 799 HG1 THR 105 1HG THR 105 3.912 -3.503 4.252 800 HG21 THR 105 1HG2 THR 105 5.117 -3.697 6.577 801 HG22 THR 105 2HG2 THR 105 6.727 -4.082 5.968 802 HG23 THR 105 3HG2 THR 105 5.797 -5.302 6.836 803 H TYR 106 H TYR 106 4.195 -3.458 2.292 804 HA TYR 106 HA TYR 106 3.217 -5.584 0.789 805 HB2 TYR 106 1HB TYR 106 3.167 -2.606 0.416 806 HB3 TYR 106 2HB TYR 106 2.509 -3.662 -0.829 807 HD1 TYR 106 1HD TYR 106 2.351 -4.244 2.827 808 HD2 TYR 106 2HD TYR 106 0.217 -3.109 -0.675 809 HE1 TYR 106 1HE TYR 106 0.236 -4.391 4.076 810 HE2 TYR 106 2HE TYR 106 -1.903 -3.251 0.564 811 HH TYR 106 HH TYR 106 -2.257 -3.121 3.625 812 H TYR 107 H TYR 107 5.894 -3.397 0.160 813 HA TYR 107 HA TYR 107 6.320 -4.346 -2.521 814 HB2 TYR 107 1HB TYR 107 7.018 -2.131 -2.199 815 HB3 TYR 107 2HB TYR 107 7.814 -2.505 -0.674 816 HD1 TYR 107 2HD TYR 107 8.042 -3.276 -4.319 817 HD2 TYR 107 1HD TYR 107 10.118 -2.764 -0.640 818 HE1 TYR 107 2HE TYR 107 10.186 -3.506 -5.503 819 HE2 TYR 107 1HE TYR 107 12.267 -2.992 -1.814 820 HH TYR 107 HH TYR 107 12.914 -2.519 -4.573 821 H HIS 108 H HIS 108 7.874 -4.819 0.629 822 HA HIS 108 HA HIS 108 9.981 -6.453 -0.250 823 HB2 HIS 108 1HB HIS 108 8.580 -6.386 2.430 824 HB3 HIS 108 2HB HIS 108 10.108 -7.204 2.115 825 HD1 HIS 108 1HD HIS 108 11.783 -5.222 0.722 826 HD2 HIS 108 2HD HIS 108 9.155 -4.105 3.740 827 HE1 HIS 108 1HE HIS 108 12.647 -3.024 1.587 828 HE2 HIS 108 2HE HIS 108 11.090 -2.410 3.468 829 H TYR 109 H TYR 109 6.879 -7.388 1.242 830 HA TYR 109 HA TYR 109 7.134 -10.126 1.083 831 HB2 TYR 109 1HB TYR 109 5.271 -9.319 2.266 832 HB3 TYR 109 2HB TYR 109 4.732 -8.323 0.919 833 HD1 TYR 109 2HD TYR 109 5.413 -11.943 1.588 834 HD2 TYR 109 1HD TYR 109 2.841 -9.046 -0.171 835 HE1 TYR 109 2HE TYR 109 3.885 -13.736 0.881 836 HE2 TYR 109 1HE TYR 109 1.306 -10.831 -0.882 837 HH TYR 109 HH TYR 109 1.735 -13.537 -1.383 838 H PHE 110 H PHE 110 5.352 -8.134 -1.282 839 HA PHE 110 HA PHE 110 5.019 -10.132 -3.194 840 HB2 PHE 110 1HB PHE 110 4.919 -7.159 -3.211 841 HB3 PHE 110 2HB PHE 110 5.032 -7.969 -4.770 842 HD1 PHE 110 2HD PHE 110 3.334 -9.937 -5.124 843 HD2 PHE 110 1HD PHE 110 2.843 -6.794 -2.297 844 HE1 PHE 110 2HE PHE 110 0.910 -10.357 -5.084 845 HE2 PHE 110 1HE PHE 110 0.419 -7.208 -2.252 846 HZ PHE 110 HZ PHE 110 -0.551 -8.992 -3.646 847 H SER 111 H SER 111 7.651 -7.827 -2.736 848 HA SER 111 HA SER 111 9.077 -8.147 -5.061 849 HB2 SER 111 1HB SER 111 9.823 -7.533 -2.245 850 HB3 SER 111 2HB SER 111 11.128 -7.953 -3.354 851 HG SER 111 HG SER 111 10.196 -5.622 -3.107 852 H LYS 112 H LYS 112 9.359 -10.131 -2.118 853 HA LYS 112 HA LYS 112 11.304 -11.875 -2.647 854 HB2 LYS 112 1HB LYS 112 8.530 -12.652 -1.731 855 HB3 LYS 112 2HB LYS 112 9.964 -13.657 -1.562 856 HG2 LYS 112 1HG LYS 112 10.978 -11.828 -0.190 857 HG3 LYS 112 2HG LYS 112 9.409 -11.019 -0.227 858 HD2 LYS 112 1HD LYS 112 8.403 -13.071 0.766 859 HD3 LYS 112 2HD LYS 112 10.030 -13.736 0.928 860 HE2 LYS 112 1HE LYS 112 9.230 -11.092 2.115 861 HE3 LYS 112 2HE LYS 112 9.042 -12.615 2.982 862 HZ1 LYS 112 1HZ LYS 112 11.633 -11.728 1.850 863 HZ2 LYS 112 2HZ LYS 112 11.357 -12.963 2.972 864 HZ3 LYS 112 3HZ LYS 112 11.147 -11.347 3.426 865 H MET 113 H MET 113 8.040 -12.183 -4.036 866 HA MET 113 HA MET 113 8.887 -14.333 -5.772 867 HB2 MET 113 1HB MET 113 6.270 -12.821 -5.718 868 HB3 MET 113 2HB MET 113 6.582 -14.326 -6.573 869 HG2 MET 113 1HG MET 113 6.770 -14.015 -3.588 870 HG3 MET 113 2HG MET 113 5.335 -14.581 -4.438 871 HE1 MET 113 1HE MET 113 5.520 -16.376 -2.662 872 HE2 MET 113 2HE MET 113 6.437 -17.869 -2.876 873 HE3 MET 113 3HE MET 113 7.189 -16.475 -2.097 874 H LYS 114 H LYS 114 9.848 -14.034 -7.661 875 HA LYS 114 HA LYS 114 10.631 -13.058 -9.562 876 HB2 LYS 114 1HB LYS 114 7.887 -11.787 -9.513 877 HB3 LYS 114 2HB LYS 114 8.968 -11.793 -10.901 878 HG2 LYS 114 1HG LYS 114 8.804 -14.163 -11.110 879 HG3 LYS 114 2HG LYS 114 7.927 -14.290 -9.583 880 HD2 LYS 114 1HD LYS 114 5.972 -13.487 -10.484 881 HD3 LYS 114 2HD LYS 114 6.804 -12.571 -11.743 882 HE2 LYS 114 1HE LYS 114 7.292 -14.595 -12.955 883 HE3 LYS 114 2HE LYS 114 6.631 -15.581 -11.652 884 HZ1 LYS 114 1HZ LYS 114 5.279 -14.556 -13.842 885 HZ2 LYS 114 2HZ LYS 114 4.711 -13.693 -12.504 886 HZ3 LYS 114 3HZ LYS 114 4.618 -15.382 -12.520 887 H ALA 115 H ALA 115 11.490 -11.813 -7.246 888 HA ALA 115 HA ALA 115 11.116 -9.084 -7.007 889 HB1 ALA 115 1HB ALA 115 12.350 -10.027 -5.296 890 HB2 ALA 115 2HB ALA 115 13.428 -10.880 -6.402 891 HB3 ALA 115 3HB ALA 115 13.579 -9.136 -6.194 892 H LEU 116 H LEU 116 11.010 -7.891 -8.853 893 HA LEU 116 HA LEU 116 12.271 -8.016 -11.204 894 HB2 LEU 116 1HB LEU 116 12.355 -5.471 -11.174 895 HB3 LEU 116 2HB LEU 116 10.789 -6.241 -10.926 896 HG LEU 116 HG LEU 116 11.488 -5.921 -8.374 897 HD11 LEU 116 1HD1 LEU 116 13.417 -4.786 -8.249 898 HD12 LEU 116 2HD1 LEU 116 12.414 -3.381 -8.602 899 HD13 LEU 116 3HD1 LEU 116 13.292 -4.186 -9.902 900 HD21 LEU 116 1HD2 LEU 116 9.490 -4.967 -8.782 901 HD22 LEU 116 2HD2 LEU 116 10.007 -4.293 -10.327 902 HD23 LEU 116 3HD2 LEU 116 10.431 -3.476 -8.823 903 H ALA 117 H ALA 117 13.728 -6.704 -8.255 904 HA ALA 117 HA ALA 117 16.042 -5.607 -8.996 905 HB1 ALA 117 1HB ALA 117 16.163 -7.788 -6.944 906 HB2 ALA 117 2HB ALA 117 16.984 -6.227 -6.959 907 HB3 ALA 117 3HB ALA 117 15.250 -6.308 -6.651 908 H VAL 118 H VAL 118 17.780 -6.083 -10.178 909 HA VAL 118 HA VAL 118 17.966 -8.478 -11.653 910 HB VAL 118 HB VAL 118 20.231 -7.660 -12.307 911 HG11 VAL 118 1HG1 VAL 118 19.372 -5.496 -13.329 912 HG12 VAL 118 2HG1 VAL 118 18.453 -6.960 -13.682 913 HG13 VAL 118 3HG1 VAL 118 17.863 -5.816 -12.475 914 HG21 VAL 118 1HG2 VAL 118 20.315 -5.069 -11.416 915 HG22 VAL 118 2HG2 VAL 118 19.773 -5.949 -9.985 916 HG23 VAL 118 3HG2 VAL 118 21.280 -6.402 -10.781 917 H GLU 119 H GLU 119 20.262 -9.614 -11.696 918 HA GLU 119 HA GLU 119 20.868 -10.426 -8.928 919 HB2 GLU 119 1HB GLU 119 21.324 -12.676 -9.773 920 HB3 GLU 119 2HB GLU 119 19.676 -12.186 -10.142 921 HG2 GLU 119 1HG GLU 119 20.718 -11.440 -12.416 922 HG3 GLU 119 2HG GLU 119 21.994 -12.572 -11.972 923 H GLY 120 H GLY 120 23.071 -11.667 -8.898 924 HA2 GLY 120 1HA GLY 120 25.093 -9.815 -9.465 925 HA3 GLY 120 2HA GLY 120 25.354 -11.503 -9.054 926 H LYS 121 H LYS 121 25.130 -9.173 -11.607 927 HA LYS 121 HA LYS 121 26.661 -10.816 -13.365 928 HB2 LYS 121 1HB LYS 121 24.259 -11.684 -13.586 929 HB3 LYS 121 2HB LYS 121 23.899 -10.148 -14.366 930 HG2 LYS 121 1HG LYS 121 25.919 -10.774 -15.892 931 HG3 LYS 121 2HG LYS 121 25.587 -12.411 -15.323 932 HD2 LYS 121 1HD LYS 121 23.567 -12.520 -16.392 933 HD3 LYS 121 2HD LYS 121 23.299 -10.778 -16.292 934 HE2 LYS 121 1HE LYS 121 23.743 -10.966 -18.523 935 HE3 LYS 121 2HE LYS 121 25.382 -10.728 -17.920 936 HZ1 LYS 121 1HZ LYS 121 25.876 -12.612 -18.954 937 HZ2 LYS 121 2HZ LYS 121 24.252 -12.990 -19.238 938 HZ3 LYS 121 3HZ LYS 121 24.978 -13.428 -17.774 939 H SER 122 H SER 122 27.386 -9.688 -15.232 940 HA SER 122 HA SER 122 28.057 -7.066 -14.922 941 HB2 SER 122 1HB SER 122 28.460 -6.992 -17.363 942 HB3 SER 122 2HB SER 122 29.060 -8.486 -16.641 943 HG SER 122 HG SER 122 27.766 -9.539 -17.903 944 H GLY 123 H GLY 123 27.309 -5.073 -15.741 945 HA2 GLY 123 1HA GLY 123 25.483 -4.071 -17.198 946 HA3 GLY 123 2HA GLY 123 24.395 -5.036 -16.212 947 HA PRO 124 HA PRO 124 24.420 -0.912 -14.244 948 HB2 PRO 124 1HB PRO 124 21.853 -1.083 -13.376 949 HB3 PRO 124 2HB PRO 124 22.282 -0.564 -15.011 950 HG2 PRO 124 1HG PRO 124 21.362 -3.248 -14.058 951 HG3 PRO 124 2HG PRO 124 20.881 -2.350 -15.509 952 HD2 PRO 124 1HD PRO 124 22.678 -4.374 -15.578 953 HD3 PRO 124 2HD PRO 124 22.763 -2.984 -16.679 954 H SER 125 H SER 125 24.378 -4.064 -13.175 955 HA SER 125 HA SER 125 23.513 -4.290 -10.666 956 HB2 SER 125 1HB SER 125 24.968 -5.947 -11.859 957 HB3 SER 125 2HB SER 125 26.368 -4.979 -11.396 958 HG SER 125 HG SER 125 26.204 -6.447 -9.805 959 H SER 126 H SER 126 23.966 -3.588 -8.619 960 HA SER 126 HA SER 126 24.834 -1.021 -8.185 961 HB2 SER 126 1HB SER 126 23.604 -2.566 -6.570 962 HB3 SER 126 2HB SER 126 25.187 -3.210 -6.135 963 HG SER 126 HG SER 126 24.134 -1.243 -4.982 964 H GLY 127 H GLY 127 26.738 -0.130 -7.210 965 HA2 GLY 127 1HA GLY 127 29.037 -0.455 -6.462 966 HA3 GLY 127 2HA GLY 127 29.168 -1.751 -7.642 Start of MODEL 8 1 H1 GLY 1 H GLY 1 18.885 6.253 -14.095 2 HA2 GLY 1 1HA GLY 1 17.319 6.750 -11.646 3 HA3 GLY 1 2HA GLY 1 17.578 5.110 -12.221 4 H SER 2 H SER 2 18.360 5.489 -9.748 5 HA SER 2 HA SER 2 20.894 6.574 -9.282 6 HB2 SER 2 1HB SER 2 19.306 4.418 -7.904 7 HB3 SER 2 2HB SER 2 20.920 4.860 -7.347 8 HG SER 2 HG SER 2 20.180 6.967 -7.021 9 H SER 3 H SER 3 22.889 5.939 -9.779 10 HA SER 3 HA SER 3 23.264 3.535 -11.331 11 HB2 SER 3 1HB SER 3 25.096 5.785 -10.506 12 HB3 SER 3 2HB SER 3 25.688 4.361 -11.361 13 HG SER 3 HG SER 3 23.769 6.248 -12.249 14 H GLY 4 H GLY 4 24.900 4.840 -8.434 15 HA2 GLY 4 1HA GLY 4 25.567 2.075 -7.678 16 HA3 GLY 4 2HA GLY 4 26.402 3.514 -7.113 17 H SER 5 H SER 5 25.652 4.601 -5.335 18 HA SER 5 HA SER 5 24.210 3.177 -3.420 19 HB2 SER 5 1HB SER 5 25.780 5.301 -3.243 20 HB3 SER 5 2HB SER 5 24.244 6.164 -3.307 21 HG SER 5 HG SER 5 24.040 5.685 -1.283 22 H SER 6 H SER 6 22.125 3.450 -2.551 23 HA SER 6 HA SER 6 20.209 4.960 -4.174 24 HB2 SER 6 1HB SER 6 18.629 2.997 -4.036 25 HB3 SER 6 2HB SER 6 20.029 2.744 -5.078 26 HG SER 6 HG SER 6 20.930 1.438 -3.566 27 H GLY 7 H GLY 7 18.070 5.162 -3.085 28 HA2 GLY 7 1HA GLY 7 18.506 5.554 -0.209 29 HA3 GLY 7 2HA GLY 7 17.268 6.339 -1.178 30 H ALA 8 H ALA 8 16.138 5.544 0.914 31 HA ALA 8 HA ALA 8 15.076 2.837 0.422 32 HB1 ALA 8 1HB ALA 8 16.323 3.685 2.686 33 HB2 ALA 8 2HB ALA 8 14.629 3.972 3.087 34 HB3 ALA 8 3HB ALA 8 15.161 2.359 2.612 35 H LYS 9 H LYS 9 14.161 5.982 1.836 36 HA LYS 9 HA LYS 9 11.384 5.537 1.743 37 HB2 LYS 9 1HB LYS 9 12.617 7.310 3.073 38 HB3 LYS 9 2HB LYS 9 12.738 8.229 1.578 39 HG2 LYS 9 1HG LYS 9 10.184 8.003 1.468 40 HG3 LYS 9 2HG LYS 9 10.297 7.543 3.168 41 HD2 LYS 9 1HD LYS 9 10.010 9.806 3.380 42 HD3 LYS 9 2HD LYS 9 11.773 9.721 3.313 43 HE2 LYS 9 1HE LYS 9 11.742 10.268 0.957 44 HE3 LYS 9 2HE LYS 9 9.980 10.234 0.941 45 HZ1 LYS 9 1HZ LYS 9 11.228 12.479 1.145 46 HZ2 LYS 9 2HZ LYS 9 11.374 12.057 2.777 47 HZ3 LYS 9 3HZ LYS 9 9.841 12.207 2.077 48 H ASP 10 H ASP 10 13.535 7.292 -0.481 49 HA ASP 10 HA ASP 10 11.550 8.037 -2.326 50 HB2 ASP 10 1HB ASP 10 14.501 7.552 -2.786 51 HB3 ASP 10 2HB ASP 10 13.424 8.392 -3.897 52 H ALA 11 H ALA 11 13.821 5.294 -2.368 53 HA ALA 11 HA ALA 11 13.124 4.107 -4.738 54 HB1 ALA 11 1HB ALA 11 14.262 2.274 -4.019 55 HB2 ALA 11 2HB ALA 11 14.806 3.427 -2.800 56 HB3 ALA 11 3HB ALA 11 13.509 2.293 -2.425 57 H LEU 12 H LEU 12 11.494 3.777 -1.608 58 HA LEU 12 HA LEU 12 9.590 1.866 -2.448 59 HB2 LEU 12 1HB LEU 12 10.130 2.307 -0.097 60 HB3 LEU 12 2HB LEU 12 9.403 3.906 -0.235 61 HG LEU 12 HG LEU 12 7.215 2.831 -0.667 62 HD11 LEU 12 1HD1 LEU 12 7.140 0.363 0.074 63 HD12 LEU 12 2HD1 LEU 12 8.859 0.353 -0.319 64 HD13 LEU 12 3HD1 LEU 12 7.673 0.740 -1.565 65 HD21 LEU 12 1HD2 LEU 12 8.096 1.602 1.870 66 HD22 LEU 12 2HD2 LEU 12 6.753 2.698 1.542 67 HD23 LEU 12 3HD2 LEU 12 8.393 3.332 1.690 68 H LEU 13 H LEU 13 9.140 5.350 -1.801 69 HA LEU 13 HA LEU 13 6.610 5.756 -2.623 70 HB2 LEU 13 1HB LEU 13 8.072 7.540 -1.840 71 HB3 LEU 13 2HB LEU 13 8.979 7.474 -3.349 72 HG LEU 13 HG LEU 13 6.664 8.052 -4.425 73 HD11 LEU 13 1HD1 LEU 13 5.733 7.861 -1.938 74 HD12 LEU 13 2HD1 LEU 13 5.048 8.969 -3.126 75 HD13 LEU 13 3HD1 LEU 13 6.193 9.564 -1.923 76 HD21 LEU 13 1HD2 LEU 13 7.535 10.095 -4.756 77 HD22 LEU 13 2HD2 LEU 13 8.919 9.458 -3.868 78 HD23 LEU 13 3HD2 LEU 13 7.699 10.419 -3.030 79 H LEU 14 H LEU 14 9.408 5.638 -4.820 80 HA LEU 14 HA LEU 14 8.096 6.067 -7.217 81 HB2 LEU 14 1HB LEU 14 10.463 6.035 -7.185 82 HB3 LEU 14 2HB LEU 14 10.500 4.392 -6.548 83 HG LEU 14 HG LEU 14 9.613 3.580 -8.716 84 HD11 LEU 14 1HD1 LEU 14 8.461 5.350 -9.672 85 HD12 LEU 14 2HD1 LEU 14 9.942 5.283 -10.628 86 HD13 LEU 14 3HD1 LEU 14 9.763 6.498 -9.363 87 HD21 LEU 14 1HD2 LEU 14 12.121 5.210 -9.059 88 HD22 LEU 14 2HD2 LEU 14 11.683 3.716 -9.886 89 HD23 LEU 14 3HD2 LEU 14 12.055 3.694 -8.161 90 H TRP 15 H TRP 15 8.755 2.952 -5.624 91 HA TRP 15 HA TRP 15 7.648 1.229 -7.451 92 HB2 TRP 15 1HB TRP 15 8.817 0.583 -5.335 93 HB3 TRP 15 2HB TRP 15 7.344 0.977 -4.453 94 HD1 TRP 15 HD TRP 15 8.484 -1.443 -7.264 95 HE1 TRP 15 1HE TRP 15 7.093 -3.599 -7.061 96 HE3 TRP 15 3HE TRP 15 5.383 -0.054 -3.443 97 HZ2 TRP 15 2HZ TRP 15 4.962 -4.581 -5.491 98 HZ3 TRP 15 3HZ TRP 15 3.696 -1.660 -2.650 99 HH2 TRP 15 HH TRP 15 3.491 -3.875 -3.656 100 H CYS 16 H CYS 16 5.911 2.600 -4.648 101 HA CYS 16 HA CYS 16 3.383 1.662 -5.298 102 HB2 CYS 16 1HB CYS 16 4.001 4.294 -3.945 103 HB3 CYS 16 2HB CYS 16 2.511 3.368 -3.812 104 HG CYS 16 HG CYS 16 3.547 1.327 -2.319 105 H GLN 17 H GLN 17 5.025 4.609 -6.339 106 HA GLN 17 HA GLN 17 2.871 5.845 -7.626 107 HB2 GLN 17 1HB GLN 17 5.845 5.973 -8.080 108 HB3 GLN 17 2HB GLN 17 4.718 6.927 -9.033 109 HG2 GLN 17 1HG GLN 17 3.877 7.953 -6.956 110 HG3 GLN 17 2HG GLN 17 5.088 7.048 -6.050 111 HE21 GLN 17 1HE2 GLN 17 4.487 9.998 -6.918 112 HE22 GLN 17 2HE2 GLN 17 6.062 10.591 -7.309 113 H MET 18 H MET 18 5.321 3.606 -8.895 114 HA MET 18 HA MET 18 4.481 3.587 -11.557 115 HB2 MET 18 1HB MET 18 5.807 1.443 -9.896 116 HB3 MET 18 2HB MET 18 5.560 1.307 -11.631 117 HG2 MET 18 1HG MET 18 6.827 3.533 -11.780 118 HG3 MET 18 2HG MET 18 7.337 3.186 -10.130 119 HE1 MET 18 1HE MET 18 8.035 -0.030 -10.060 120 HE2 MET 18 2HE MET 18 9.738 0.344 -10.326 121 HE3 MET 18 3HE MET 18 8.736 1.430 -9.361 122 H LYS 19 H LYS 19 3.596 1.372 -8.910 123 HA LYS 19 HA LYS 19 1.786 -0.183 -10.392 124 HB2 LYS 19 1HB LYS 19 1.659 0.387 -7.427 125 HB3 LYS 19 2HB LYS 19 0.990 -1.006 -8.267 126 HG2 LYS 19 1HG LYS 19 3.914 -0.345 -7.978 127 HG3 LYS 19 2HG LYS 19 3.030 -1.594 -7.096 128 HD2 LYS 19 1HD LYS 19 2.438 -2.481 -9.466 129 HD3 LYS 19 2HD LYS 19 3.815 -1.506 -9.985 130 HE2 LYS 19 1HE LYS 19 5.333 -2.817 -8.883 131 HE3 LYS 19 2HE LYS 19 4.171 -3.321 -7.656 132 HZ1 LYS 19 1HZ LYS 19 3.112 -4.421 -9.839 133 HZ2 LYS 19 2HZ LYS 19 4.199 -5.223 -8.823 134 HZ3 LYS 19 3HZ LYS 19 4.753 -4.491 -10.244 135 H THR 20 H THR 20 1.114 2.447 -8.076 136 HA THR 20 HA THR 20 -1.637 2.584 -8.477 137 HB THR 20 HB THR 20 -1.503 4.899 -7.615 138 HG1 THR 20 1HG THR 20 1.255 4.466 -8.082 139 HG21 THR 20 1HG2 THR 20 -0.093 2.635 -6.287 140 HG22 THR 20 2HG2 THR 20 -1.587 3.456 -5.834 141 HG23 THR 20 3HG2 THR 20 -0.031 4.226 -5.529 142 H ALA 21 H ALA 21 0.982 3.788 -10.417 143 HA ALA 21 HA ALA 21 0.084 5.822 -11.891 144 HB1 ALA 21 1HB ALA 21 2.166 4.546 -12.329 145 HB2 ALA 21 2HB ALA 21 1.201 3.331 -13.169 146 HB3 ALA 21 3HB ALA 21 1.283 4.978 -13.793 147 H GLY 22 H GLY 22 -0.775 2.455 -12.736 148 HA2 GLY 22 1HA GLY 22 -2.463 2.724 -14.789 149 HA3 GLY 22 2HA GLY 22 -2.831 1.639 -13.457 150 H TYR 23 H TYR 23 -3.457 3.330 -11.426 151 HA TYR 23 HA TYR 23 -6.081 4.180 -12.181 152 HB2 TYR 23 1HB TYR 23 -4.608 4.595 -9.572 153 HB3 TYR 23 2HB TYR 23 -6.337 4.797 -9.826 154 HD1 TYR 23 2HD TYR 23 -3.609 2.372 -9.486 155 HD2 TYR 23 1HD TYR 23 -7.800 2.876 -10.022 156 HE1 TYR 23 2HE TYR 23 -3.960 0.002 -8.930 157 HE2 TYR 23 1HE TYR 23 -8.161 0.507 -9.466 158 HH TYR 23 HH TYR 23 -5.460 -1.594 -8.533 159 HA PRO 24 HA PRO 24 -4.720 8.263 -13.410 160 HB2 PRO 24 1HB PRO 24 -7.168 9.097 -14.238 161 HB3 PRO 24 2HB PRO 24 -6.136 8.038 -15.206 162 HG2 PRO 24 1HG PRO 24 -8.459 7.334 -13.454 163 HG3 PRO 24 2HG PRO 24 -8.049 6.725 -15.067 164 HD2 PRO 24 1HD PRO 24 -7.521 5.332 -12.806 165 HD3 PRO 24 2HD PRO 24 -6.488 5.239 -14.248 166 H ASN 25 H ASN 25 -7.277 7.432 -11.180 167 HA ASN 25 HA ASN 25 -7.442 10.165 -10.173 168 HB2 ASN 25 1HB ASN 25 -9.066 7.687 -9.854 169 HB3 ASN 25 2HB ASN 25 -9.094 8.859 -8.540 170 HD21 ASN 25 1HD2 ASN 25 -10.434 7.982 -11.459 171 HD22 ASN 25 2HD2 ASN 25 -11.271 9.450 -11.820 172 H VAL 26 H VAL 26 -5.099 8.234 -9.857 173 HA VAL 26 HA VAL 26 -4.799 8.629 -6.959 174 HB VAL 26 HB VAL 26 -3.914 6.160 -8.458 175 HG11 VAL 26 1HG1 VAL 26 -3.750 6.755 -5.508 176 HG12 VAL 26 2HG1 VAL 26 -3.139 5.327 -6.346 177 HG13 VAL 26 3HG1 VAL 26 -2.398 6.903 -6.630 178 HG21 VAL 26 1HG2 VAL 26 -6.435 6.755 -7.503 179 HG22 VAL 26 2HG2 VAL 26 -5.806 5.144 -7.849 180 HG23 VAL 26 3HG2 VAL 26 -5.718 5.792 -6.211 181 H ASN 27 H ASN 27 -2.715 9.095 -6.243 182 HA ASN 27 HA ASN 27 -0.467 9.084 -8.016 183 HB2 ASN 27 1HB ASN 27 -0.095 11.520 -8.026 184 HB3 ASN 27 2HB ASN 27 -1.589 11.089 -8.853 185 HD21 ASN 27 1HD2 ASN 27 -0.184 12.584 -6.056 186 HD22 ASN 27 2HD2 ASN 27 -1.624 13.352 -5.490 187 H VAL 28 H VAL 28 0.927 8.233 -6.606 188 HA VAL 28 HA VAL 28 0.883 8.903 -3.807 189 HB VAL 28 HB VAL 28 2.908 7.273 -5.345 190 HG11 VAL 28 1HG1 VAL 28 2.490 6.693 -2.516 191 HG12 VAL 28 2HG1 VAL 28 3.990 6.889 -3.425 192 HG13 VAL 28 3HG1 VAL 28 3.136 8.307 -2.814 193 HG21 VAL 28 1HG2 VAL 28 0.358 6.598 -5.198 194 HG22 VAL 28 2HG2 VAL 28 1.639 5.398 -5.025 195 HG23 VAL 28 3HG2 VAL 28 0.841 6.048 -3.593 196 H HIS 29 H HIS 29 1.242 11.227 -4.126 197 HA HIS 29 HA HIS 29 3.926 12.011 -4.938 198 HB2 HIS 29 1HB HIS 29 2.311 13.502 -5.767 199 HB3 HIS 29 2HB HIS 29 1.419 13.523 -4.248 200 HD1 HIS 29 1HD HIS 29 1.509 15.994 -3.777 201 HD2 HIS 29 2HD HIS 29 5.259 14.358 -4.509 202 HE1 HIS 29 1HE HIS 29 3.158 17.807 -3.211 203 HE2 HIS 29 2HE HIS 29 5.414 16.824 -3.743 204 H ASN 30 H ASN 30 2.003 11.626 -2.056 205 HA ASN 30 HA ASN 30 4.373 12.292 -0.450 206 HB2 ASN 30 1HB ASN 30 2.481 13.037 1.278 207 HB3 ASN 30 2HB ASN 30 3.172 14.159 0.110 208 HD21 ASN 30 1HD2 ASN 30 0.409 12.224 0.944 209 HD22 ASN 30 2HD2 ASN 30 -0.697 12.969 -0.153 210 H PHE 31 H PHE 31 3.796 11.579 1.970 211 HA PHE 31 HA PHE 31 2.728 8.837 1.791 212 HB2 PHE 31 1HB PHE 31 5.171 9.918 3.140 213 HB3 PHE 31 2HB PHE 31 4.355 8.522 3.839 214 HD1 PHE 31 2HD PHE 31 3.704 6.696 1.949 215 HD2 PHE 31 1HD PHE 31 6.931 9.464 1.760 216 HE1 PHE 31 2HE PHE 31 4.871 5.221 0.365 217 HE2 PHE 31 1HE PHE 31 8.105 7.993 0.173 218 HZ PHE 31 HZ PHE 31 7.075 5.868 -0.525 219 H THR 32 H THR 32 1.318 11.307 2.492 220 HA THR 32 HA THR 32 0.417 10.501 5.170 221 HB THR 32 HB THR 32 0.040 12.876 5.759 222 HG1 THR 32 1HG THR 32 0.292 14.352 4.272 223 HG21 THR 32 1HG2 THR 32 2.926 12.416 5.014 224 HG22 THR 32 2HG2 THR 32 2.138 11.621 6.377 225 HG23 THR 32 3HG2 THR 32 2.292 13.377 6.350 226 H THR 33 H THR 33 -0.523 13.026 2.843 227 HA THR 33 HA THR 33 -3.308 12.337 3.162 228 HB THR 33 HB THR 33 -3.762 14.209 1.656 229 HG1 THR 33 1HG THR 33 -1.699 15.443 1.099 230 HG21 THR 33 1HG2 THR 33 -3.594 15.062 3.781 231 HG22 THR 33 2HG2 THR 33 -2.305 15.966 2.985 232 HG23 THR 33 3HG2 THR 33 -1.915 14.554 3.968 233 H SER 34 H SER 34 -1.008 10.821 1.540 234 HA SER 34 HA SER 34 -2.441 10.479 -0.980 235 HB2 SER 34 1HB SER 34 0.301 9.869 -0.004 236 HB3 SER 34 2HB SER 34 -0.362 8.805 -1.244 237 HG SER 34 HG SER 34 0.109 10.314 -2.611 238 H TRP 35 H TRP 35 -1.913 8.888 2.040 239 HA TRP 35 HA TRP 35 -3.268 6.479 1.019 240 HB2 TRP 35 1HB TRP 35 -1.646 6.646 3.559 241 HB3 TRP 35 2HB TRP 35 -2.193 5.198 2.716 242 HD1 TRP 35 HD TRP 35 0.292 8.124 2.203 243 HE1 TRP 35 1HE TRP 35 2.236 7.269 0.749 244 HE3 TRP 35 3HE TRP 35 -1.454 3.427 1.193 245 HZ2 TRP 35 2HZ TRP 35 2.937 4.915 -0.642 246 HZ3 TRP 35 3HZ TRP 35 -0.087 1.937 -0.208 247 HH2 TRP 35 HH TRP 35 2.062 2.668 -1.106 248 H ARG 36 H ARG 36 -3.621 9.212 2.960 249 HA ARG 36 HA ARG 36 -5.134 8.422 5.116 250 HB2 ARG 36 1HB ARG 36 -4.449 10.738 4.749 251 HB3 ARG 36 2HB ARG 36 -5.539 10.859 3.374 252 HG2 ARG 36 1HG ARG 36 -7.370 10.235 5.111 253 HG3 ARG 36 2HG ARG 36 -6.171 10.775 6.287 254 HD2 ARG 36 1HD ARG 36 -7.250 12.750 5.909 255 HD3 ARG 36 2HD ARG 36 -6.015 12.842 4.653 256 HE ARG 36 HE ARG 36 -7.661 12.671 3.070 257 HH11 ARG 36 1HH1 ARG 36 -8.950 11.739 6.166 258 HH12 ARG 36 2HH1 ARG 36 -10.587 11.652 5.604 259 HH21 ARG 36 1HH2 ARG 36 -9.812 12.560 2.317 260 HH22 ARG 36 2HH2 ARG 36 -11.075 12.118 3.415 261 H ASP 37 H ASP 37 -6.315 9.180 1.845 262 HA ASP 37 HA ASP 37 -9.022 8.659 2.316 263 HB2 ASP 37 1HB ASP 37 -7.624 8.138 -0.307 264 HB3 ASP 37 2HB ASP 37 -9.296 8.628 -0.048 265 H GLY 38 H GLY 38 -6.440 6.510 1.162 266 HA2 GLY 38 1HA GLY 38 -6.485 4.216 2.075 267 HA3 GLY 38 2HA GLY 38 -8.219 4.232 1.783 268 H LEU 39 H LEU 39 -8.130 5.456 -0.791 269 HA LEU 39 HA LEU 39 -8.210 3.443 -2.536 270 HB2 LEU 39 1HB LEU 39 -7.030 6.170 -3.028 271 HB3 LEU 39 2HB LEU 39 -7.417 5.028 -4.314 272 HG LEU 39 HG LEU 39 -9.404 6.249 -2.398 273 HD11 LEU 39 1HD1 LEU 39 -8.857 8.002 -3.792 274 HD12 LEU 39 2HD1 LEU 39 -10.191 7.248 -4.664 275 HD13 LEU 39 3HD1 LEU 39 -8.527 6.948 -5.166 276 HD21 LEU 39 1HD2 LEU 39 -11.086 5.240 -3.843 277 HD22 LEU 39 2HD2 LEU 39 -10.039 4.007 -3.141 278 HD23 LEU 39 3HD2 LEU 39 -9.818 4.501 -4.820 279 H ALA 40 H ALA 40 -5.202 5.318 -2.105 280 HA ALA 40 HA ALA 40 -3.430 4.018 -3.621 281 HB1 ALA 40 1HB ALA 40 -3.220 5.234 -0.936 282 HB2 ALA 40 2HB ALA 40 -1.872 4.221 -1.453 283 HB3 ALA 40 3HB ALA 40 -2.355 5.610 -2.426 284 H PHE 41 H PHE 41 -4.225 2.902 -0.324 285 HA PHE 41 HA PHE 41 -2.752 0.533 -0.411 286 HB2 PHE 41 1HB PHE 41 -5.204 1.318 1.159 287 HB3 PHE 41 2HB PHE 41 -4.407 -0.236 1.379 288 HD1 PHE 41 1HD PHE 41 -1.721 0.054 1.624 289 HD2 PHE 41 2HD PHE 41 -4.670 2.936 2.678 290 HE1 PHE 41 1HE PHE 41 -0.141 1.089 3.200 291 HE2 PHE 41 2HE PHE 41 -3.095 3.976 4.255 292 HZ PHE 41 HZ PHE 41 -0.826 3.053 4.519 293 H ASN 42 H ASN 42 -6.059 1.220 -1.425 294 HA ASN 42 HA ASN 42 -6.654 -1.518 -2.052 295 HB2 ASN 42 1HB ASN 42 -8.099 1.030 -2.822 296 HB3 ASN 42 2HB ASN 42 -8.727 -0.602 -3.033 297 HD21 ASN 42 1HD2 ASN 42 -8.146 1.975 -0.838 298 HD22 ASN 42 2HD2 ASN 42 -8.922 1.271 0.536 299 H ALA 43 H ALA 43 -4.706 0.711 -3.499 300 HA ALA 43 HA ALA 43 -5.317 -0.103 -6.240 301 HB1 ALA 43 1HB ALA 43 -4.340 1.805 -6.937 302 HB2 ALA 43 2HB ALA 43 -4.621 2.314 -5.272 303 HB3 ALA 43 3HB ALA 43 -3.039 1.699 -5.750 304 H ILE 44 H ILE 44 -2.931 -0.526 -3.730 305 HA ILE 44 HA ILE 44 -0.889 -1.635 -5.370 306 HB ILE 44 HB ILE 44 -1.371 -1.937 -2.404 307 HG12 ILE 44 1HG1 ILE 44 0.612 -0.179 -3.859 308 HG13 ILE 44 2HG1 ILE 44 -0.957 0.385 -3.295 309 HG21 ILE 44 1HG2 ILE 44 1.341 -2.265 -2.959 310 HG22 ILE 44 2HG2 ILE 44 0.199 -3.508 -2.449 311 HG23 ILE 44 3HG2 ILE 44 0.502 -3.239 -4.166 312 HD11 ILE 44 1HD1 ILE 44 0.860 0.976 -1.767 313 HD12 ILE 44 2HD1 ILE 44 -0.329 -0.082 -1.007 314 HD13 ILE 44 3HD1 ILE 44 1.217 -0.737 -1.544 315 H VAL 45 H VAL 45 -3.317 -3.108 -3.222 316 HA VAL 45 HA VAL 45 -2.617 -5.784 -3.881 317 HB VAL 45 HB VAL 45 -5.210 -4.746 -2.728 318 HG11 VAL 45 1HG1 VAL 45 -4.494 -7.368 -1.858 319 HG12 VAL 45 2HG1 VAL 45 -5.932 -6.845 -2.735 320 HG13 VAL 45 3HG1 VAL 45 -4.483 -7.323 -3.620 321 HG21 VAL 45 1HG2 VAL 45 -2.664 -5.664 -1.403 322 HG22 VAL 45 2HG2 VAL 45 -3.407 -4.067 -1.309 323 HG23 VAL 45 3HG2 VAL 45 -4.196 -5.453 -0.554 324 H HIS 46 H HIS 46 -5.604 -3.982 -4.641 325 HA HIS 46 HA HIS 46 -6.859 -5.615 -6.350 326 HB2 HIS 46 1HB HIS 46 -7.434 -3.190 -5.740 327 HB3 HIS 46 2HB HIS 46 -6.452 -2.732 -7.128 328 HD1 HIS 46 1HD HIS 46 -7.794 -2.381 -9.162 329 HD2 HIS 46 2HD HIS 46 -9.515 -5.219 -6.663 330 HE1 HIS 46 1HE HIS 46 -9.922 -3.081 -10.304 331 HE2 HIS 46 2HE HIS 46 -10.989 -4.735 -8.733 332 H LYS 47 H LYS 47 -3.956 -3.774 -7.101 333 HA LYS 47 HA LYS 47 -3.871 -4.267 -9.866 334 HB2 LYS 47 1HB LYS 47 -2.461 -2.641 -8.448 335 HB3 LYS 47 2HB LYS 47 -1.416 -4.022 -8.143 336 HG2 LYS 47 1HG LYS 47 -0.379 -3.039 -9.938 337 HG3 LYS 47 2HG LYS 47 -1.398 -4.240 -10.735 338 HD2 LYS 47 1HD LYS 47 -2.880 -2.654 -11.522 339 HD3 LYS 47 2HD LYS 47 -2.457 -1.485 -10.268 340 HE2 LYS 47 1HE LYS 47 -1.552 -0.668 -12.304 341 HE3 LYS 47 2HE LYS 47 -0.201 -1.291 -11.358 342 HZ1 LYS 47 1HZ LYS 47 -0.387 -1.894 -13.844 343 HZ2 LYS 47 2HZ LYS 47 -1.539 -3.021 -13.330 344 HZ3 LYS 47 3HZ LYS 47 0.044 -3.102 -12.740 345 H HIS 48 H HIS 48 -2.393 -6.019 -7.149 346 HA HIS 48 HA HIS 48 -1.284 -8.055 -8.832 347 HB2 HIS 48 1HB HIS 48 -1.741 -8.292 -5.863 348 HB3 HIS 48 2HB HIS 48 -0.499 -9.069 -6.840 349 HD1 HIS 48 1HD HIS 48 0.976 -6.937 -8.172 350 HD2 HIS 48 2HD HIS 48 -0.574 -6.394 -4.355 351 HE1 HIS 48 1HE HIS 48 2.318 -5.065 -7.161 352 HE2 HIS 48 2HE HIS 48 1.419 -4.813 -4.822 353 H ARG 49 H ARG 49 -4.073 -7.856 -6.647 354 HA ARG 49 HA ARG 49 -5.248 -10.140 -8.071 355 HB2 ARG 49 1HB ARG 49 -5.416 -9.785 -5.076 356 HB3 ARG 49 2HB ARG 49 -6.026 -11.136 -6.022 357 HG2 ARG 49 1HG ARG 49 -3.116 -10.502 -6.108 358 HG3 ARG 49 2HG ARG 49 -3.783 -11.333 -4.701 359 HD2 ARG 49 1HD ARG 49 -3.989 -12.232 -7.573 360 HD3 ARG 49 2HD ARG 49 -2.949 -12.932 -6.333 361 HE ARG 49 HE ARG 49 -5.680 -12.965 -5.540 362 HH11 ARG 49 1HH1 ARG 49 -3.350 -14.579 -7.562 363 HH12 ARG 49 2HH1 ARG 49 -4.178 -16.100 -7.525 364 HH21 ARG 49 1HH2 ARG 49 -6.779 -14.963 -5.484 365 HH22 ARG 49 2HH2 ARG 49 -6.129 -16.317 -6.344 366 HA PRO 50 HA PRO 50 -8.244 -6.686 -8.087 367 HB2 PRO 50 1HB PRO 50 -9.362 -7.402 -10.455 368 HB3 PRO 50 2HB PRO 50 -7.887 -6.436 -10.343 369 HG2 PRO 50 1HG PRO 50 -8.196 -9.369 -10.852 370 HG3 PRO 50 2HG PRO 50 -7.115 -8.205 -11.640 371 HD2 PRO 50 1HD PRO 50 -6.270 -9.896 -9.701 372 HD3 PRO 50 2HD PRO 50 -5.581 -8.275 -9.920 373 H ASP 51 H ASP 51 -8.411 -9.937 -7.559 374 HA ASP 51 HA ASP 51 -11.304 -10.182 -7.744 375 HB2 ASP 51 1HB ASP 51 -9.049 -12.062 -7.164 376 HB3 ASP 51 2HB ASP 51 -10.676 -12.490 -6.641 377 H LEU 52 H LEU 52 -8.798 -9.796 -5.326 378 HA LEU 52 HA LEU 52 -10.215 -10.431 -3.021 379 HB2 LEU 52 1HB LEU 52 -8.153 -8.260 -3.368 380 HB3 LEU 52 2HB LEU 52 -8.648 -8.983 -1.838 381 HG LEU 52 HG LEU 52 -7.146 -10.341 -4.074 382 HD11 LEU 52 1HD1 LEU 52 -5.711 -10.563 -1.742 383 HD12 LEU 52 2HD1 LEU 52 -6.364 -8.928 -1.654 384 HD13 LEU 52 3HD1 LEU 52 -5.397 -9.416 -3.045 385 HD21 LEU 52 1HD2 LEU 52 -7.001 -12.073 -2.045 386 HD22 LEU 52 2HD2 LEU 52 -8.259 -12.147 -3.281 387 HD23 LEU 52 3HD2 LEU 52 -8.597 -11.393 -1.721 388 H LEU 53 H LEU 53 -9.721 -7.164 -4.372 389 HA LEU 53 HA LEU 53 -12.279 -6.382 -3.137 390 HB2 LEU 53 1HB LEU 53 -11.365 -4.112 -2.936 391 HB3 LEU 53 2HB LEU 53 -10.459 -5.297 -1.997 392 HG LEU 53 HG LEU 53 -9.465 -4.588 -4.713 393 HD11 LEU 53 1HD1 LEU 53 -9.559 -2.401 -4.161 394 HD12 LEU 53 2HD1 LEU 53 -8.111 -2.805 -3.239 395 HD13 LEU 53 3HD1 LEU 53 -9.677 -2.727 -2.432 396 HD21 LEU 53 1HD2 LEU 53 -7.584 -5.555 -3.990 397 HD22 LEU 53 2HD2 LEU 53 -8.577 -6.200 -2.684 398 HD23 LEU 53 3HD2 LEU 53 -7.644 -4.724 -2.436 399 H ASP 54 H ASP 54 -12.935 -4.123 -4.238 400 HA ASP 54 HA ASP 54 -12.668 -4.422 -7.151 401 HB2 ASP 54 1HB ASP 54 -15.168 -4.301 -5.512 402 HB3 ASP 54 2HB ASP 54 -15.166 -3.580 -7.119 403 H PHE 55 H PHE 55 -11.146 -2.698 -7.028 404 HA PHE 55 HA PHE 55 -11.324 -0.266 -5.852 405 HB2 PHE 55 1HB PHE 55 -9.617 -1.264 -7.616 406 HB3 PHE 55 2HB PHE 55 -10.550 -0.277 -8.736 407 HD1 PHE 55 1HD PHE 55 -8.689 -0.091 -5.525 408 HD2 PHE 55 2HD PHE 55 -10.063 1.974 -8.983 409 HE1 PHE 55 1HE PHE 55 -7.385 1.886 -4.858 410 HE2 PHE 55 2HE PHE 55 -8.761 3.954 -8.323 411 HZ PHE 55 HZ PHE 55 -7.420 3.912 -6.258 412 H GLU 56 H GLU 56 -12.976 -1.248 -8.824 413 HA GLU 56 HA GLU 56 -14.108 1.252 -9.442 414 HB2 GLU 56 1HB GLU 56 -15.601 0.037 -10.908 415 HB3 GLU 56 2HB GLU 56 -13.988 -0.651 -11.021 416 HG2 GLU 56 1HG GLU 56 -14.675 -2.454 -9.496 417 HG3 GLU 56 2HG GLU 56 -16.304 -1.781 -9.469 418 H SER 57 H SER 57 -15.140 -1.348 -7.322 419 HA SER 57 HA SER 57 -17.768 -0.348 -6.871 420 HB2 SER 57 1HB SER 57 -17.430 -2.656 -6.424 421 HB3 SER 57 2HB SER 57 -16.032 -2.332 -5.399 422 HG SER 57 HG SER 57 -17.903 -2.794 -4.169 423 H LEU 58 H LEU 58 -14.710 -0.104 -5.093 424 HA LEU 58 HA LEU 58 -15.643 1.262 -2.851 425 HB2 LEU 58 1HB LEU 58 -12.968 1.691 -4.163 426 HB3 LEU 58 2HB LEU 58 -13.378 1.924 -2.465 427 HG LEU 58 HG LEU 58 -13.350 -0.749 -3.862 428 HD11 LEU 58 1HD1 LEU 58 -11.284 0.562 -2.104 429 HD12 LEU 58 2HD1 LEU 58 -11.107 0.120 -3.801 430 HD13 LEU 58 3HD1 LEU 58 -11.275 -1.138 -2.577 431 HD21 LEU 58 1HD2 LEU 58 -13.202 -1.449 -1.374 432 HD22 LEU 58 2HD2 LEU 58 -14.767 -0.992 -2.045 433 HD23 LEU 58 3HD2 LEU 58 -13.862 0.155 -1.056 434 H LYS 59 H LYS 59 -15.216 3.555 -2.289 435 HA LYS 59 HA LYS 59 -15.421 5.376 -4.581 436 HB2 LYS 59 1HB LYS 59 -17.705 5.018 -3.869 437 HB3 LYS 59 2HB LYS 59 -17.272 5.322 -2.192 438 HG2 LYS 59 1HG LYS 59 -17.216 7.575 -2.465 439 HG3 LYS 59 2HG LYS 59 -16.713 7.469 -4.155 440 HD2 LYS 59 1HD LYS 59 -18.916 8.272 -4.240 441 HD3 LYS 59 2HD LYS 59 -19.056 6.551 -4.609 442 HE2 LYS 59 1HE LYS 59 -19.978 6.055 -2.543 443 HE3 LYS 59 2HE LYS 59 -19.323 7.507 -1.788 444 HZ1 LYS 59 1HZ LYS 59 -21.006 8.378 -3.797 445 HZ2 LYS 59 2HZ LYS 59 -21.284 8.447 -2.130 446 HZ3 LYS 59 3HZ LYS 59 -21.841 7.124 -3.026 447 H LYS 60 H LYS 60 -14.639 7.463 -4.224 448 HA LYS 60 HA LYS 60 -12.461 7.726 -2.512 449 HB2 LYS 60 1HB LYS 60 -12.889 9.100 -4.552 450 HB3 LYS 60 2HB LYS 60 -14.124 9.977 -3.657 451 HG2 LYS 60 1HG LYS 60 -12.388 11.399 -3.355 452 HG3 LYS 60 2HG LYS 60 -12.115 10.341 -1.970 453 HD2 LYS 60 1HD LYS 60 -10.013 10.333 -2.854 454 HD3 LYS 60 2HD LYS 60 -10.703 8.985 -3.760 455 HE2 LYS 60 1HE LYS 60 -11.353 10.761 -5.501 456 HE3 LYS 60 2HE LYS 60 -10.206 11.804 -4.660 457 HZ1 LYS 60 1HZ LYS 60 -9.381 10.434 -6.639 458 HZ2 LYS 60 2HZ LYS 60 -9.411 9.115 -5.580 459 HZ3 LYS 60 3HZ LYS 60 -8.433 10.451 -5.237 460 H CYS 61 H CYS 61 -15.812 8.787 -2.105 461 HA CYS 61 HA CYS 61 -15.625 10.332 0.153 462 HB2 CYS 61 1HB CYS 61 -17.699 9.637 -1.247 463 HB3 CYS 61 2HB CYS 61 -17.822 8.299 -0.111 464 HG CYS 61 HG CYS 61 -17.630 10.481 2.012 465 H ASN 62 H ASN 62 -16.370 6.840 0.204 466 HA ASN 62 HA ASN 62 -15.991 6.558 2.981 467 HB2 ASN 62 1HB ASN 62 -16.275 4.705 0.670 468 HB3 ASN 62 2HB ASN 62 -15.601 4.043 2.156 469 HD21 ASN 62 1HD2 ASN 62 -16.895 4.846 4.164 470 HD22 ASN 62 2HD2 ASN 62 -18.607 4.654 4.036 471 H ALA 63 H ALA 63 -14.073 7.282 3.769 472 HA ALA 63 HA ALA 63 -11.578 6.426 2.529 473 HB1 ALA 63 1HB ALA 63 -11.152 7.880 4.947 474 HB2 ALA 63 2HB ALA 63 -10.806 8.362 3.285 475 HB3 ALA 63 3HB ALA 63 -12.387 8.699 3.990 476 H HIS 64 H HIS 64 -13.141 6.258 5.727 477 HA HIS 64 HA HIS 64 -11.204 4.607 6.925 478 HB2 HIS 64 1HB HIS 64 -12.757 5.827 8.303 479 HB3 HIS 64 2HB HIS 64 -14.131 5.012 7.562 480 HD1 HIS 64 1HD HIS 64 -11.553 4.630 10.194 481 HD2 HIS 64 2HD HIS 64 -14.517 2.328 8.412 482 HE1 HIS 64 1HE HIS 64 -11.845 2.633 11.694 483 HE2 HIS 64 2HE HIS 64 -13.583 1.212 10.551 484 H TYR 65 H TYR 65 -14.388 3.775 5.555 485 HA TYR 65 HA TYR 65 -14.225 1.017 5.908 486 HB2 TYR 65 1HB TYR 65 -16.332 1.947 5.321 487 HB3 TYR 65 2HB TYR 65 -15.681 2.692 3.865 488 HD1 TYR 65 2HD TYR 65 -14.802 1.077 2.037 489 HD2 TYR 65 1HD TYR 65 -17.396 -0.117 5.191 490 HE1 TYR 65 2HE TYR 65 -15.485 -0.886 0.723 491 HE2 TYR 65 1HE TYR 65 -18.086 -2.085 3.886 492 HH TYR 65 HH TYR 65 -16.904 -2.609 0.589 493 H ASN 66 H ASN 66 -13.026 3.060 3.297 494 HA ASN 66 HA ASN 66 -12.268 0.946 1.565 495 HB2 ASN 66 1HB ASN 66 -11.611 3.865 1.754 496 HB3 ASN 66 2HB ASN 66 -10.689 2.838 0.661 497 HD21 ASN 66 1HD2 ASN 66 -11.762 4.543 -0.769 498 HD22 ASN 66 2HD2 ASN 66 -13.271 4.088 -1.477 499 H LEU 67 H LEU 67 -10.722 2.535 4.261 500 HA LEU 67 HA LEU 67 -8.094 1.551 3.742 501 HB2 LEU 67 1HB LEU 67 -9.457 2.829 6.074 502 HB3 LEU 67 2HB LEU 67 -7.867 2.098 6.279 503 HG LEU 67 HG LEU 67 -8.372 4.186 4.181 504 HD11 LEU 67 1HD1 LEU 67 -7.859 4.555 7.112 505 HD12 LEU 67 2HD1 LEU 67 -9.048 5.354 6.083 506 HD13 LEU 67 3HD1 LEU 67 -7.336 5.751 5.925 507 HD21 LEU 67 1HD2 LEU 67 -5.831 3.735 5.681 508 HD22 LEU 67 2HD2 LEU 67 -6.080 4.355 4.048 509 HD23 LEU 67 3HD2 LEU 67 -6.281 2.634 4.379 510 H GLN 68 H GLN 68 -10.159 0.797 6.543 511 HA GLN 68 HA GLN 68 -8.958 -1.426 7.477 512 HB2 GLN 68 1HB GLN 68 -11.015 -2.091 8.455 513 HB3 GLN 68 2HB GLN 68 -11.068 -0.336 8.349 514 HG2 GLN 68 1HG GLN 68 -13.154 -0.858 7.603 515 HG3 GLN 68 2HG GLN 68 -12.274 -0.822 6.076 516 HE21 GLN 68 1HE2 GLN 68 -13.431 -2.258 4.925 517 HE22 GLN 68 2HE2 GLN 68 -13.623 -3.922 5.345 518 H ASN 69 H ASN 69 -10.973 -1.243 4.607 519 HA ASN 69 HA ASN 69 -11.309 -3.977 4.127 520 HB2 ASN 69 1HB ASN 69 -12.454 -2.046 2.941 521 HB3 ASN 69 2HB ASN 69 -10.988 -1.880 1.980 522 HD21 ASN 69 1HD2 ASN 69 -11.072 -2.838 0.096 523 HD22 ASN 69 2HD2 ASN 69 -11.980 -4.256 -0.293 524 H ALA 70 H ALA 70 -8.771 -1.754 3.018 525 HA ALA 70 HA ALA 70 -7.322 -3.728 1.575 526 HB1 ALA 70 1HB ALA 70 -5.442 -1.952 1.845 527 HB2 ALA 70 2HB ALA 70 -6.858 -1.582 0.860 528 HB3 ALA 70 3HB ALA 70 -6.735 -0.948 2.502 529 H PHE 71 H PHE 71 -6.805 -2.215 4.757 530 HA PHE 71 HA PHE 71 -4.495 -3.551 5.491 531 HB2 PHE 71 1HB PHE 71 -6.793 -2.680 7.254 532 HB3 PHE 71 2HB PHE 71 -5.191 -3.126 7.834 533 HD1 PHE 71 2HD PHE 71 -3.478 -1.822 5.821 534 HD2 PHE 71 1HD PHE 71 -6.988 -0.431 7.786 535 HE1 PHE 71 2HE PHE 71 -2.723 0.500 5.518 536 HE2 PHE 71 1HE PHE 71 -6.239 1.893 7.486 537 HZ PHE 71 HZ PHE 71 -4.103 2.362 6.352 538 H ASN 72 H ASN 72 -7.861 -4.501 6.164 539 HA ASN 72 HA ASN 72 -7.219 -6.942 7.420 540 HB2 ASN 72 1HB ASN 72 -9.748 -6.068 6.010 541 HB3 ASN 72 2HB ASN 72 -9.609 -7.523 6.992 542 HD21 ASN 72 1HD2 ASN 72 -10.892 -4.641 7.089 543 HD22 ASN 72 2HD2 ASN 72 -10.687 -4.221 8.752 544 H LEU 73 H LEU 73 -8.180 -6.193 4.083 545 HA LEU 73 HA LEU 73 -8.259 -8.759 3.052 546 HB2 LEU 73 1HB LEU 73 -7.706 -6.070 1.918 547 HB3 LEU 73 2HB LEU 73 -7.342 -7.475 0.918 548 HG LEU 73 HG LEU 73 -10.039 -6.756 2.064 549 HD11 LEU 73 1HD1 LEU 73 -9.241 -5.330 0.195 550 HD12 LEU 73 2HD1 LEU 73 -10.678 -6.275 -0.196 551 HD13 LEU 73 3HD1 LEU 73 -9.100 -6.780 -0.799 552 HD21 LEU 73 1HD2 LEU 73 -8.962 -9.233 0.986 553 HD22 LEU 73 2HD2 LEU 73 -10.385 -8.667 0.110 554 HD23 LEU 73 3HD2 LEU 73 -10.469 -8.934 1.852 555 H ALA 74 H ALA 74 -5.473 -6.549 3.204 556 HA ALA 74 HA ALA 74 -3.647 -8.480 2.144 557 HB1 ALA 74 1HB ALA 74 -2.658 -6.516 1.741 558 HB2 ALA 74 2HB ALA 74 -3.542 -5.702 3.032 559 HB3 ALA 74 3HB ALA 74 -2.081 -6.617 3.405 560 H GLU 75 H GLU 75 -4.755 -7.596 5.327 561 HA GLU 75 HA GLU 75 -2.627 -8.882 6.748 562 HB2 GLU 75 1HB GLU 75 -3.804 -7.108 7.850 563 HB3 GLU 75 2HB GLU 75 -5.352 -7.904 7.602 564 HG2 GLU 75 1HG GLU 75 -3.172 -9.146 9.243 565 HG3 GLU 75 2HG GLU 75 -4.333 -8.010 9.927 566 H LYS 76 H LYS 76 -5.524 -9.925 5.240 567 HA LYS 76 HA LYS 76 -5.477 -12.475 6.693 568 HB2 LYS 76 1HB LYS 76 -7.634 -11.193 6.493 569 HB3 LYS 76 2HB LYS 76 -7.576 -11.483 4.760 570 HG2 LYS 76 1HG LYS 76 -9.023 -13.108 5.668 571 HG3 LYS 76 2HG LYS 76 -7.516 -13.943 5.284 572 HD2 LYS 76 1HD LYS 76 -7.983 -14.754 7.396 573 HD3 LYS 76 2HD LYS 76 -6.906 -13.403 7.759 574 HE2 LYS 76 1HE LYS 76 -8.764 -13.313 9.269 575 HE3 LYS 76 2HE LYS 76 -8.917 -11.983 8.122 576 HZ1 LYS 76 1HZ LYS 76 -10.645 -13.043 7.010 577 HZ2 LYS 76 2HZ LYS 76 -10.985 -13.348 8.638 578 HZ3 LYS 76 3HZ LYS 76 -10.295 -14.558 7.677 579 H GLU 77 H GLU 77 -5.957 -11.341 3.341 580 HA GLU 77 HA GLU 77 -5.468 -13.803 2.112 581 HB2 GLU 77 1HB GLU 77 -4.969 -11.037 0.999 582 HB3 GLU 77 2HB GLU 77 -5.108 -12.513 0.055 583 HG2 GLU 77 1HG GLU 77 -7.262 -11.171 1.666 584 HG3 GLU 77 2HG GLU 77 -7.168 -11.321 -0.088 585 H LEU 78 H LEU 78 -3.245 -11.025 1.945 586 HA LEU 78 HA LEU 78 -1.008 -12.539 1.209 587 HB2 LEU 78 1HB LEU 78 -0.915 -9.936 2.713 588 HB3 LEU 78 2HB LEU 78 0.285 -10.583 1.595 589 HG LEU 78 HG LEU 78 -2.485 -9.731 0.765 590 HD11 LEU 78 1HD1 LEU 78 0.080 -8.175 0.493 591 HD12 LEU 78 2HD1 LEU 78 -1.158 -7.851 1.705 592 HD13 LEU 78 3HD1 LEU 78 -1.535 -7.672 -0.008 593 HD21 LEU 78 1HD2 LEU 78 -0.989 -9.537 -1.431 594 HD22 LEU 78 2HD2 LEU 78 -1.808 -11.029 -0.969 595 HD23 LEU 78 3HD2 LEU 78 -0.095 -10.815 -0.607 596 H GLY 79 H GLY 79 -2.100 -11.411 4.389 597 HA2 GLY 79 1HA GLY 79 -1.785 -12.665 6.379 598 HA3 GLY 79 2HA GLY 79 -0.434 -13.488 5.614 599 H LEU 80 H LEU 80 -1.022 -10.005 5.797 600 HA LEU 80 HA LEU 80 1.589 -9.711 7.091 601 HB2 LEU 80 1HB LEU 80 -0.186 -7.758 5.640 602 HB3 LEU 80 2HB LEU 80 1.287 -7.289 6.486 603 HG LEU 80 HG LEU 80 1.347 -9.339 4.297 604 HD11 LEU 80 1HD1 LEU 80 0.817 -7.827 2.767 605 HD12 LEU 80 2HD1 LEU 80 2.203 -6.862 3.274 606 HD13 LEU 80 3HD1 LEU 80 0.623 -6.587 4.008 607 HD21 LEU 80 1HD2 LEU 80 3.518 -7.396 4.751 608 HD22 LEU 80 2HD2 LEU 80 3.590 -9.125 4.403 609 HD23 LEU 80 3HD2 LEU 80 3.246 -8.567 6.042 610 H THR 81 H THR 81 1.875 -8.502 8.967 611 HA THR 81 HA THR 81 -0.362 -8.537 10.778 612 HB THR 81 HB THR 81 2.460 -7.540 11.213 613 HG1 THR 81 1HG THR 81 1.339 -10.038 11.148 614 HG21 THR 81 1HG2 THR 81 1.657 -6.703 13.124 615 HG22 THR 81 2HG2 THR 81 1.360 -8.366 13.633 616 HG23 THR 81 3HG2 THR 81 0.077 -7.439 12.856 617 H LYS 82 H LYS 82 -1.775 -6.941 10.978 618 HA LYS 82 HA LYS 82 -1.653 -4.487 9.691 619 HB2 LYS 82 1HB LYS 82 -3.286 -5.618 11.903 620 HB3 LYS 82 2HB LYS 82 -3.329 -3.873 11.684 621 HG2 LYS 82 1HG LYS 82 -3.881 -4.344 9.251 622 HG3 LYS 82 2HG LYS 82 -4.157 -6.014 9.750 623 HD2 LYS 82 1HD LYS 82 -5.503 -3.730 11.156 624 HD3 LYS 82 2HD LYS 82 -6.170 -4.408 9.668 625 HE2 LYS 82 1HE LYS 82 -5.496 -6.069 12.089 626 HE3 LYS 82 2HE LYS 82 -7.086 -5.357 11.819 627 HZ1 LYS 82 1HZ LYS 82 -7.553 -6.797 10.156 628 HZ2 LYS 82 2HZ LYS 82 -6.473 -7.780 11.008 629 HZ3 LYS 82 3HZ LYS 82 -5.947 -6.932 9.643 630 H LEU 83 H LEU 83 0.065 -3.174 9.966 631 HA LEU 83 HA LEU 83 1.139 -2.667 12.612 632 HB2 LEU 83 1HB LEU 83 1.921 -1.432 9.978 633 HB3 LEU 83 2HB LEU 83 2.836 -1.379 11.482 634 HG LEU 83 HG LEU 83 2.343 -3.796 9.747 635 HD11 LEU 83 1HD1 LEU 83 5.080 -3.139 10.370 636 HD12 LEU 83 2HD1 LEU 83 4.264 -1.788 9.583 637 HD13 LEU 83 3HD1 LEU 83 4.305 -3.368 8.802 638 HD21 LEU 83 1HD2 LEU 83 2.525 -4.944 11.659 639 HD22 LEU 83 2HD2 LEU 83 3.110 -3.544 12.557 640 HD23 LEU 83 3HD2 LEU 83 4.231 -4.505 11.591 641 H LEU 84 H LEU 84 -0.726 -0.994 10.142 642 HA LEU 84 HA LEU 84 -0.924 1.356 11.893 643 HB2 LEU 84 1HB LEU 84 -1.531 0.988 8.966 644 HB3 LEU 84 2HB LEU 84 -1.893 2.460 9.866 645 HG LEU 84 HG LEU 84 0.848 1.316 9.332 646 HD11 LEU 84 1HD1 LEU 84 -0.849 2.996 7.797 647 HD12 LEU 84 2HD1 LEU 84 0.811 2.501 7.462 648 HD13 LEU 84 3HD1 LEU 84 0.499 3.966 8.393 649 HD21 LEU 84 1HD2 LEU 84 1.404 2.407 11.205 650 HD22 LEU 84 2HD2 LEU 84 -0.126 3.282 11.264 651 HD23 LEU 84 3HD2 LEU 84 1.187 3.870 10.243 652 H ASP 85 H ASP 85 -3.222 2.496 11.273 653 HA ASP 85 HA ASP 85 -5.341 0.484 11.497 654 HB2 ASP 85 1HB ASP 85 -4.780 2.700 13.461 655 HB3 ASP 85 2HB ASP 85 -6.379 1.977 13.308 656 HA PRO 86 HA PRO 86 -7.445 3.108 8.666 657 HB2 PRO 86 1HB PRO 86 -10.005 2.355 9.168 658 HB3 PRO 86 2HB PRO 86 -8.857 1.333 8.296 659 HG2 PRO 86 1HG PRO 86 -9.687 1.224 11.170 660 HG3 PRO 86 2HG PRO 86 -9.452 -0.107 10.022 661 HD2 PRO 86 1HD PRO 86 -7.595 0.563 11.876 662 HD3 PRO 86 2HD PRO 86 -7.162 -0.097 10.285 663 H GLU 87 H GLU 87 -7.540 3.518 11.971 664 HA GLU 87 HA GLU 87 -9.260 5.900 11.737 665 HB2 GLU 87 1HB GLU 87 -9.496 5.643 14.266 666 HB3 GLU 87 2HB GLU 87 -10.341 4.472 13.264 667 HG2 GLU 87 1HG GLU 87 -8.865 2.762 13.795 668 HG3 GLU 87 2HG GLU 87 -7.614 3.879 14.336 669 H ASP 88 H ASP 88 -6.161 4.655 12.560 670 HA ASP 88 HA ASP 88 -5.326 7.081 13.929 671 HB2 ASP 88 1HB ASP 88 -4.580 4.560 14.347 672 HB3 ASP 88 2HB ASP 88 -3.372 4.974 13.133 673 H VAL 89 H VAL 89 -5.113 5.598 10.791 674 HA VAL 89 HA VAL 89 -3.075 7.450 9.863 675 HB VAL 89 HB VAL 89 -4.654 5.471 8.220 676 HG11 VAL 89 1HG1 VAL 89 -3.609 6.945 6.749 677 HG12 VAL 89 2HG1 VAL 89 -2.171 7.089 7.760 678 HG13 VAL 89 3HG1 VAL 89 -2.474 5.602 6.860 679 HG21 VAL 89 1HG2 VAL 89 -3.032 3.827 8.625 680 HG22 VAL 89 2HG2 VAL 89 -1.912 4.984 9.347 681 HG23 VAL 89 3HG2 VAL 89 -3.373 4.511 10.215 682 H ASN 90 H ASN 90 -6.511 6.780 9.274 683 HA ASN 90 HA ASN 90 -6.921 8.771 7.333 684 HB2 ASN 90 1HB ASN 90 -8.554 7.028 7.604 685 HB3 ASN 90 2HB ASN 90 -8.828 7.473 9.286 686 HD21 ASN 90 1HD2 ASN 90 -9.396 8.317 5.964 687 HD22 ASN 90 2HD2 ASN 90 -10.653 9.466 6.261 688 H VAL 91 H VAL 91 -5.662 10.531 8.265 689 HA VAL 91 HA VAL 91 -7.355 12.249 9.915 690 HB VAL 91 HB VAL 91 -5.749 11.107 11.448 691 HG11 VAL 91 1HG1 VAL 91 -3.502 12.756 10.497 692 HG12 VAL 91 2HG1 VAL 91 -3.512 11.123 11.166 693 HG13 VAL 91 3HG1 VAL 91 -3.932 11.386 9.473 694 HG21 VAL 91 1HG2 VAL 91 -4.994 13.993 11.351 695 HG22 VAL 91 2HG2 VAL 91 -6.675 13.544 11.630 696 HG23 VAL 91 3HG2 VAL 91 -5.419 12.989 12.737 697 H ASP 92 H ASP 92 -6.505 14.520 9.965 698 HA ASP 92 HA ASP 92 -6.233 15.574 7.438 699 HB2 ASP 92 1HB ASP 92 -5.069 16.850 9.917 700 HB3 ASP 92 2HB ASP 92 -5.672 17.661 8.475 701 H GLN 93 H GLN 93 -3.603 15.141 9.811 702 HA GLN 93 HA GLN 93 -1.741 14.828 7.564 703 HB2 GLN 93 1HB GLN 93 -0.056 16.115 8.998 704 HB3 GLN 93 2HB GLN 93 -1.301 17.051 8.181 705 HG2 GLN 93 1HG GLN 93 -1.411 18.006 10.231 706 HG3 GLN 93 2HG GLN 93 -2.569 16.698 10.467 707 HE21 GLN 93 1HE2 GLN 93 0.944 17.190 10.658 708 HE22 GLN 93 2HE2 GLN 93 1.149 16.359 12.159 709 HA PRO 94 HA PRO 94 -1.265 11.338 10.515 710 HB2 PRO 94 1HB PRO 94 -0.756 9.500 8.582 711 HB3 PRO 94 2HB PRO 94 -2.394 9.960 9.064 712 HG2 PRO 94 1HG PRO 94 -0.779 10.887 6.720 713 HG3 PRO 94 2HG PRO 94 -2.492 10.434 6.790 714 HD2 PRO 94 1HD PRO 94 -1.665 13.013 6.796 715 HD3 PRO 94 2HD PRO 94 -3.127 12.477 7.650 716 H ASP 95 H ASP 95 0.591 9.780 10.711 717 HA ASP 95 HA ASP 95 3.070 11.221 10.282 718 HB2 ASP 95 1HB ASP 95 2.257 8.825 11.889 719 HB3 ASP 95 2HB ASP 95 3.962 9.098 11.540 720 H GLU 96 H GLU 96 3.859 11.059 8.268 721 HA GLU 96 HA GLU 96 3.495 8.951 6.488 722 HB2 GLU 96 1HB GLU 96 5.515 9.886 5.311 723 HB3 GLU 96 2HB GLU 96 4.242 11.052 5.647 724 HG2 GLU 96 1HG GLU 96 5.536 11.729 7.685 725 HG3 GLU 96 2HG GLU 96 6.854 10.717 7.093 726 H LYS 97 H LYS 97 5.855 9.397 9.027 727 HA LYS 97 HA LYS 97 7.653 7.358 8.224 728 HB2 LYS 97 1HB LYS 97 7.133 8.442 10.999 729 HB3 LYS 97 2HB LYS 97 8.543 7.517 10.499 730 HG2 LYS 97 1HG LYS 97 7.919 10.023 9.031 731 HG3 LYS 97 2HG LYS 97 8.589 10.146 10.659 732 HD2 LYS 97 1HD LYS 97 10.539 10.072 9.487 733 HD3 LYS 97 2HD LYS 97 10.275 8.336 9.675 734 HE2 LYS 97 1HE LYS 97 10.653 8.406 7.431 735 HE3 LYS 97 2HE LYS 97 8.912 8.680 7.428 736 HZ1 LYS 97 1HZ LYS 97 9.160 10.855 6.861 737 HZ2 LYS 97 2HZ LYS 97 10.539 10.232 6.107 738 HZ3 LYS 97 3HZ LYS 97 10.673 11.012 7.601 739 H SER 98 H SER 98 4.682 7.366 10.061 740 HA SER 98 HA SER 98 5.013 4.676 11.037 741 HB2 SER 98 1HB SER 98 2.781 6.692 11.130 742 HB3 SER 98 2HB SER 98 2.508 5.020 11.621 743 HG SER 98 HG SER 98 3.113 6.301 13.397 744 H ILE 99 H ILE 99 4.012 6.090 8.129 745 HA ILE 99 HA ILE 99 2.373 3.788 7.362 746 HB ILE 99 HB ILE 99 2.906 6.375 5.897 747 HG12 ILE 99 1HG1 ILE 99 0.269 5.479 7.025 748 HG13 ILE 99 2HG1 ILE 99 1.444 6.303 8.046 749 HG21 ILE 99 1HG2 ILE 99 0.787 4.388 5.173 750 HG22 ILE 99 2HG2 ILE 99 1.487 5.678 4.195 751 HG23 ILE 99 3HG2 ILE 99 2.427 4.228 4.546 752 HD11 ILE 99 1HD1 ILE 99 0.026 7.989 7.294 753 HD12 ILE 99 2HD1 ILE 99 1.447 8.122 6.257 754 HD13 ILE 99 3HD1 ILE 99 -0.018 7.347 5.652 755 H ILE 100 H ILE 100 5.218 5.602 6.239 756 HA ILE 100 HA ILE 100 5.901 4.115 4.028 757 HB ILE 100 HB ILE 100 7.753 5.371 6.054 758 HG12 ILE 100 1HG1 ILE 100 7.128 6.467 3.335 759 HG13 ILE 100 2HG1 ILE 100 5.992 6.723 4.655 760 HG21 ILE 100 1HG2 ILE 100 8.795 3.592 4.609 761 HG22 ILE 100 2HG2 ILE 100 8.425 4.615 3.222 762 HG23 ILE 100 3HG2 ILE 100 9.516 5.196 4.479 763 HD11 ILE 100 1HD1 ILE 100 8.819 7.367 5.202 764 HD12 ILE 100 2HD1 ILE 100 7.958 8.420 4.076 765 HD13 ILE 100 3HD1 ILE 100 7.343 8.187 5.712 766 H THR 101 H THR 101 6.387 3.350 7.417 767 HA THR 101 HA THR 101 8.136 1.145 7.006 768 HB THR 101 HB THR 101 6.317 1.657 9.367 769 HG1 THR 101 1HG THR 101 7.611 3.375 9.437 770 HG21 THR 101 1HG2 THR 101 8.627 -0.185 8.873 771 HG22 THR 101 2HG2 THR 101 7.075 -0.520 9.642 772 HG23 THR 101 3HG2 THR 101 8.300 0.414 10.499 773 H TYR 102 H TYR 102 4.633 1.432 7.460 774 HA TYR 102 HA TYR 102 4.110 -1.351 7.461 775 HB2 TYR 102 1HB TYR 102 2.503 0.231 8.376 776 HB3 TYR 102 2HB TYR 102 2.303 0.983 6.797 777 HD1 TYR 102 1HD TYR 102 2.121 -2.463 8.252 778 HD2 TYR 102 2HD TYR 102 0.372 0.437 5.675 779 HE1 TYR 102 1HE TYR 102 0.289 -4.025 7.748 780 HE2 TYR 102 2HE TYR 102 -1.465 -1.117 5.165 781 HH TYR 102 HH TYR 102 -2.479 -3.337 6.702 782 H VAL 103 H VAL 103 3.376 1.061 4.932 783 HA VAL 103 HA VAL 103 2.680 -0.661 2.905 784 HB VAL 103 HB VAL 103 2.438 1.757 2.701 785 HG11 VAL 103 1HG1 VAL 103 5.368 1.676 3.011 786 HG12 VAL 103 2HG1 VAL 103 4.750 2.830 1.827 787 HG13 VAL 103 3HG1 VAL 103 4.206 2.907 3.503 788 HG21 VAL 103 1HG2 VAL 103 2.267 0.747 0.623 789 HG22 VAL 103 2HG2 VAL 103 3.508 1.968 0.349 790 HG23 VAL 103 3HG2 VAL 103 3.967 0.283 0.594 791 H ALA 104 H ALA 104 5.864 0.117 4.101 792 HA ALA 104 HA ALA 104 7.495 -0.653 2.018 793 HB1 ALA 104 1HB ALA 104 7.809 -0.112 4.761 794 HB2 ALA 104 2HB ALA 104 8.595 -1.662 4.457 795 HB3 ALA 104 3HB ALA 104 9.065 -0.238 3.528 796 H THR 105 H THR 105 5.786 -2.679 4.341 797 HA THR 105 HA THR 105 7.002 -5.130 3.700 798 HB THR 105 HB THR 105 5.127 -6.207 4.771 799 HG1 THR 105 1HG THR 105 3.840 -3.670 4.548 800 HG21 THR 105 1HG2 THR 105 4.909 -4.569 6.826 801 HG22 THR 105 2HG2 THR 105 6.191 -3.699 5.983 802 HG23 THR 105 3HG2 THR 105 6.434 -5.378 6.468 803 H TYR 106 H TYR 106 4.251 -3.432 2.294 804 HA TYR 106 HA TYR 106 3.248 -5.466 0.673 805 HB2 TYR 106 1HB TYR 106 3.243 -2.469 0.429 806 HB3 TYR 106 2HB TYR 106 2.523 -3.480 -0.820 807 HD1 TYR 106 1HD TYR 106 2.435 -4.395 2.738 808 HD2 TYR 106 2HD TYR 106 0.288 -2.640 -0.490 809 HE1 TYR 106 1HE TYR 106 0.360 -4.531 4.051 810 HE2 TYR 106 2HE TYR 106 -1.792 -2.770 0.815 811 HH TYR 106 HH TYR 106 -2.005 -4.541 3.763 812 H TYR 107 H TYR 107 5.961 -3.290 0.203 813 HA TYR 107 HA TYR 107 6.386 -4.039 -2.537 814 HB2 TYR 107 1HB TYR 107 7.180 -1.898 -2.076 815 HB3 TYR 107 2HB TYR 107 7.879 -2.381 -0.534 816 HD1 TYR 107 2HD TYR 107 8.274 -3.149 -4.174 817 HD2 TYR 107 1HD TYR 107 10.175 -2.534 -0.418 818 HE1 TYR 107 2HE TYR 107 10.470 -3.390 -5.254 819 HE2 TYR 107 1HE TYR 107 12.377 -2.773 -1.486 820 HH TYR 107 HH TYR 107 12.928 -4.148 -4.277 821 H HIS 108 H HIS 108 8.170 -4.633 0.491 822 HA HIS 108 HA HIS 108 10.086 -6.366 -0.558 823 HB2 HIS 108 1HB HIS 108 8.910 -6.057 2.194 824 HB3 HIS 108 2HB HIS 108 10.135 -7.277 1.857 825 HD1 HIS 108 1HD HIS 108 12.192 -5.877 0.266 826 HD2 HIS 108 2HD HIS 108 10.173 -3.988 3.366 827 HE1 HIS 108 1HE HIS 108 13.675 -3.973 0.971 828 HE2 HIS 108 2HE HIS 108 12.473 -2.896 2.904 829 H TYR 109 H TYR 109 7.151 -7.273 1.261 830 HA TYR 109 HA TYR 109 7.195 -9.962 1.083 831 HB2 TYR 109 1HB TYR 109 5.360 -8.964 2.197 832 HB3 TYR 109 2HB TYR 109 4.862 -8.083 0.758 833 HD1 TYR 109 1HD TYR 109 3.765 -9.294 -1.112 834 HD2 TYR 109 2HD TYR 109 4.648 -11.207 2.586 835 HE1 TYR 109 1HE TYR 109 2.196 -11.100 -1.679 836 HE2 TYR 109 2HE TYR 109 3.082 -13.020 2.027 837 HH TYR 109 HH TYR 109 1.281 -13.533 0.631 838 H PHE 110 H PHE 110 5.486 -8.017 -1.373 839 HA PHE 110 HA PHE 110 5.132 -10.069 -3.217 840 HB2 PHE 110 1HB PHE 110 5.098 -7.101 -3.334 841 HB3 PHE 110 2HB PHE 110 5.231 -7.956 -4.867 842 HD1 PHE 110 2HD PHE 110 3.512 -9.967 -5.120 843 HD2 PHE 110 1HD PHE 110 3.001 -6.604 -2.562 844 HE1 PHE 110 2HE PHE 110 1.081 -10.340 -5.123 845 HE2 PHE 110 1HE PHE 110 0.567 -6.972 -2.560 846 HZ PHE 110 HZ PHE 110 -0.396 -8.841 -3.843 847 H SER 111 H SER 111 7.833 -7.850 -2.779 848 HA SER 111 HA SER 111 9.301 -8.154 -5.038 849 HB2 SER 111 1HB SER 111 9.883 -6.926 -2.829 850 HB3 SER 111 2HB SER 111 10.662 -8.441 -2.369 851 HG SER 111 HG SER 111 11.234 -7.285 -4.864 852 H LYS 112 H LYS 112 9.199 -10.446 -2.330 853 HA LYS 112 HA LYS 112 11.046 -12.292 -2.917 854 HB2 LYS 112 1HB LYS 112 8.162 -12.962 -2.299 855 HB3 LYS 112 2HB LYS 112 9.540 -14.029 -2.061 856 HG2 LYS 112 1HG LYS 112 9.604 -11.379 -0.731 857 HG3 LYS 112 2HG LYS 112 8.503 -12.602 -0.091 858 HD2 LYS 112 1HD LYS 112 10.358 -13.144 1.111 859 HD3 LYS 112 2HD LYS 112 10.681 -14.114 -0.327 860 HE2 LYS 112 1HE LYS 112 12.690 -13.049 -0.124 861 HE3 LYS 112 2HE LYS 112 11.841 -11.884 -1.139 862 HZ1 LYS 112 1HZ LYS 112 12.678 -10.539 0.490 863 HZ2 LYS 112 2HZ LYS 112 12.537 -11.705 1.708 864 HZ3 LYS 112 3HZ LYS 112 11.162 -10.890 1.153 865 H MET 113 H MET 113 7.995 -11.896 -4.664 866 HA MET 113 HA MET 113 8.267 -14.131 -6.355 867 HB2 MET 113 1HB MET 113 6.829 -11.525 -6.893 868 HB3 MET 113 2HB MET 113 6.588 -13.033 -7.766 869 HG2 MET 113 1HG MET 113 6.117 -12.773 -4.813 870 HG3 MET 113 2HG MET 113 4.870 -12.454 -6.016 871 HE1 MET 113 1HE MET 113 4.142 -14.386 -3.890 872 HE2 MET 113 2HE MET 113 4.535 -16.093 -4.094 873 HE3 MET 113 3HE MET 113 5.770 -14.964 -3.538 874 H LYS 114 H LYS 114 9.110 -14.374 -8.401 875 HA LYS 114 HA LYS 114 11.480 -13.270 -9.092 876 HB2 LYS 114 1HB LYS 114 9.280 -14.240 -10.918 877 HB3 LYS 114 2HB LYS 114 10.896 -13.845 -11.488 878 HG2 LYS 114 1HG LYS 114 10.413 -15.856 -9.313 879 HG3 LYS 114 2HG LYS 114 10.401 -16.286 -11.024 880 HD2 LYS 114 1HD LYS 114 12.713 -14.749 -9.937 881 HD3 LYS 114 2HD LYS 114 12.602 -16.477 -9.596 882 HE2 LYS 114 1HE LYS 114 12.474 -15.267 -12.355 883 HE3 LYS 114 2HE LYS 114 13.936 -15.926 -11.624 884 HZ1 LYS 114 1HZ LYS 114 11.671 -17.298 -12.779 885 HZ2 LYS 114 2HZ LYS 114 12.199 -17.947 -11.308 886 HZ3 LYS 114 3HZ LYS 114 13.276 -17.810 -12.607 887 H ALA 115 H ALA 115 11.959 -11.165 -9.123 888 HA ALA 115 HA ALA 115 10.140 -9.328 -10.529 889 HB1 ALA 115 1HB ALA 115 10.693 -8.904 -8.103 890 HB2 ALA 115 2HB ALA 115 12.336 -8.540 -8.630 891 HB3 ALA 115 3HB ALA 115 10.988 -7.559 -9.206 892 H LEU 116 H LEU 116 11.479 -7.326 -11.379 893 HA LEU 116 HA LEU 116 14.086 -7.787 -12.380 894 HB2 LEU 116 1HB LEU 116 13.477 -7.917 -14.789 895 HB3 LEU 116 2HB LEU 116 13.082 -9.359 -13.855 896 HG LEU 116 HG LEU 116 10.718 -8.591 -13.779 897 HD11 LEU 116 1HD1 LEU 116 10.350 -6.878 -15.798 898 HD12 LEU 116 2HD1 LEU 116 11.915 -6.306 -15.218 899 HD13 LEU 116 3HD1 LEU 116 10.536 -6.364 -14.121 900 HD21 LEU 116 1HD2 LEU 116 12.182 -9.340 -16.237 901 HD22 LEU 116 2HD2 LEU 116 10.513 -8.803 -16.435 902 HD23 LEU 116 3HD2 LEU 116 10.881 -10.176 -15.389 903 H ALA 117 H ALA 117 14.550 -6.140 -14.243 904 HA ALA 117 HA ALA 117 14.865 -3.895 -14.595 905 HB1 ALA 117 1HB ALA 117 12.832 -4.590 -15.958 906 HB2 ALA 117 2HB ALA 117 11.866 -3.780 -14.723 907 HB3 ALA 117 3HB ALA 117 13.044 -2.864 -15.663 908 H VAL 118 H VAL 118 14.712 -4.585 -11.809 909 HA VAL 118 HA VAL 118 13.110 -2.580 -10.492 910 HB VAL 118 HB VAL 118 13.410 -4.596 -9.273 911 HG11 VAL 118 1HG1 VAL 118 15.277 -5.650 -10.147 912 HG12 VAL 118 2HG1 VAL 118 16.306 -4.232 -9.930 913 HG13 VAL 118 3HG1 VAL 118 15.822 -5.194 -8.533 914 HG21 VAL 118 1HG2 VAL 118 14.191 -3.807 -7.194 915 HG22 VAL 118 2HG2 VAL 118 15.322 -2.688 -7.953 916 HG23 VAL 118 3HG2 VAL 118 13.587 -2.383 -8.041 917 H GLU 119 H GLU 119 13.797 -0.697 -9.546 918 HA GLU 119 HA GLU 119 16.577 0.020 -9.429 919 HB2 GLU 119 1HB GLU 119 15.737 0.413 -11.858 920 HB3 GLU 119 2HB GLU 119 14.890 1.791 -11.170 921 HG2 GLU 119 1HG GLU 119 16.885 2.680 -11.961 922 HG3 GLU 119 2HG GLU 119 17.154 2.493 -10.228 923 H GLY 120 H GLY 120 16.942 2.031 -8.327 924 HA2 GLY 120 1HA GLY 120 14.822 2.612 -6.433 925 HA3 GLY 120 2HA GLY 120 16.473 3.208 -6.368 926 H LYS 121 H LYS 121 16.055 5.349 -6.072 927 HA LYS 121 HA LYS 121 15.023 6.774 -8.396 928 HB2 LYS 121 1HB LYS 121 13.231 6.319 -6.495 929 HB3 LYS 121 2HB LYS 121 14.026 7.692 -5.736 930 HG2 LYS 121 1HG LYS 121 13.651 8.900 -7.961 931 HG3 LYS 121 2HG LYS 121 12.522 7.593 -8.325 932 HD2 LYS 121 1HD LYS 121 11.158 9.225 -7.381 933 HD3 LYS 121 2HD LYS 121 11.492 8.146 -6.023 934 HE2 LYS 121 1HE LYS 121 11.904 10.169 -5.039 935 HE3 LYS 121 2HE LYS 121 13.514 9.790 -5.651 936 HZ1 LYS 121 1HZ LYS 121 13.367 11.819 -6.555 937 HZ2 LYS 121 2HZ LYS 121 11.680 11.874 -6.453 938 HZ3 LYS 121 3HZ LYS 121 12.422 11.065 -7.740 939 H SER 122 H SER 122 15.512 9.093 -8.323 940 HA SER 122 HA SER 122 18.118 9.698 -7.864 941 HB2 SER 122 1HB SER 122 16.306 11.119 -9.007 942 HB3 SER 122 2HB SER 122 15.975 11.771 -7.402 943 HG SER 122 HG SER 122 18.479 12.026 -7.520 944 H GLY 123 H GLY 123 19.402 10.260 -6.193 945 HA2 GLY 123 1HA GLY 123 18.195 10.970 -3.625 946 HA3 GLY 123 2HA GLY 123 19.193 9.524 -3.672 947 HA PRO 124 HA PRO 124 22.001 13.416 -4.492 948 HB2 PRO 124 1HB PRO 124 20.989 15.742 -3.525 949 HB3 PRO 124 2HB PRO 124 20.728 15.197 -5.186 950 HG2 PRO 124 1HG PRO 124 18.909 14.989 -2.818 951 HG3 PRO 124 2HG PRO 124 18.523 15.440 -4.488 952 HD2 PRO 124 1HD PRO 124 18.049 12.964 -3.502 953 HD3 PRO 124 2HD PRO 124 18.474 13.249 -5.202 954 H SER 125 H SER 125 20.006 12.919 -1.679 955 HA SER 125 HA SER 125 22.358 13.404 0.026 956 HB2 SER 125 1HB SER 125 19.470 14.088 0.617 957 HB3 SER 125 2HB SER 125 20.760 14.128 1.819 958 HG SER 125 HG SER 125 20.941 15.568 -0.604 959 H SER 126 H SER 126 22.536 12.086 1.896 960 HA SER 126 HA SER 126 22.094 9.404 1.561 961 HB2 SER 126 1HB SER 126 23.577 10.491 3.290 962 HB3 SER 126 2HB SER 126 22.133 10.759 4.265 963 HG SER 126 HG SER 126 23.593 8.502 3.939 964 H GLY 127 H GLY 127 20.023 11.720 3.279 965 HA2 GLY 127 1HA GLY 127 17.734 9.991 2.798 966 HA3 GLY 127 2HA GLY 127 18.143 10.258 4.486 Start of MODEL 9 1 H1 GLY 1 H GLY 1 17.207 -9.691 1.308 2 HA2 GLY 1 1HA GLY 1 15.736 -8.129 0.299 3 HA3 GLY 1 2HA GLY 1 17.066 -7.135 0.876 4 H SER 2 H SER 2 18.165 -5.947 -0.558 5 HA SER 2 HA SER 2 18.476 -6.707 -3.297 6 HB2 SER 2 1HB SER 2 16.064 -5.704 -2.995 7 HB3 SER 2 2HB SER 2 16.924 -4.164 -2.979 8 HG SER 2 HG SER 2 16.161 -5.349 -5.086 9 H SER 3 H SER 3 20.431 -6.014 -3.819 10 HA SER 3 HA SER 3 21.747 -3.981 -2.265 11 HB2 SER 3 1HB SER 3 22.543 -5.909 -4.389 12 HB3 SER 3 2HB SER 3 23.537 -4.466 -4.193 13 HG SER 3 HG SER 3 24.425 -5.570 -2.641 14 H GLY 4 H GLY 4 23.194 -2.402 -3.666 15 HA2 GLY 4 1HA GLY 4 23.286 -0.905 -5.522 16 HA3 GLY 4 2HA GLY 4 21.592 -1.247 -5.841 17 H SER 5 H SER 5 21.900 1.253 -5.968 18 HA SER 5 HA SER 5 22.108 2.753 -3.594 19 HB2 SER 5 1HB SER 5 20.700 3.454 -6.183 20 HB3 SER 5 2HB SER 5 21.126 4.599 -4.909 21 HG SER 5 HG SER 5 23.338 3.957 -5.261 22 H SER 6 H SER 6 20.818 2.073 -1.944 23 HA SER 6 HA SER 6 17.924 1.933 -2.426 24 HB2 SER 6 1HB SER 6 19.652 0.843 -0.200 25 HB3 SER 6 2HB SER 6 17.890 0.842 -0.136 26 HG SER 6 HG SER 6 19.457 -0.934 -1.285 27 H GLY 7 H GLY 7 17.017 3.881 -2.164 28 HA2 GLY 7 1HA GLY 7 18.043 5.774 -0.231 29 HA3 GLY 7 2HA GLY 7 16.691 6.024 -1.325 30 H ALA 8 H ALA 8 15.870 7.051 0.726 31 HA ALA 8 HA ALA 8 14.831 5.102 2.648 32 HB1 ALA 8 1HB ALA 8 14.211 7.086 3.987 33 HB2 ALA 8 2HB ALA 8 15.935 7.014 3.617 34 HB3 ALA 8 3HB ALA 8 14.887 8.116 2.724 35 H LYS 9 H LYS 9 13.608 7.923 0.831 36 HA LYS 9 HA LYS 9 10.999 6.560 0.673 37 HB2 LYS 9 1HB LYS 9 11.615 9.485 1.068 38 HB3 LYS 9 2HB LYS 9 10.035 8.910 0.554 39 HG2 LYS 9 1HG LYS 9 9.680 9.035 2.793 40 HG3 LYS 9 2HG LYS 9 10.291 7.382 2.693 41 HD2 LYS 9 1HD LYS 9 12.615 8.543 3.032 42 HD3 LYS 9 2HD LYS 9 11.636 9.849 3.705 43 HE2 LYS 9 1HE LYS 9 10.688 8.366 5.341 44 HE3 LYS 9 2HE LYS 9 11.479 6.975 4.602 45 HZ1 LYS 9 1HZ LYS 9 13.099 7.341 6.061 46 HZ2 LYS 9 2HZ LYS 9 12.519 8.876 6.472 47 HZ3 LYS 9 3HZ LYS 9 13.527 8.685 5.128 48 H ASP 10 H ASP 10 13.156 6.353 -1.214 49 HA ASP 10 HA ASP 10 12.015 7.789 -3.520 50 HB2 ASP 10 1HB ASP 10 14.816 6.803 -2.989 51 HB3 ASP 10 2HB ASP 10 14.269 7.274 -4.597 52 H ALA 11 H ALA 11 13.797 4.771 -2.840 53 HA ALA 11 HA ALA 11 12.983 3.390 -5.119 54 HB1 ALA 11 1HB ALA 11 14.486 2.827 -2.796 55 HB2 ALA 11 2HB ALA 11 13.285 1.546 -2.965 56 HB3 ALA 11 3HB ALA 11 14.394 1.894 -4.291 57 H LEU 12 H LEU 12 11.398 3.809 -2.016 58 HA LEU 12 HA LEU 12 9.311 1.904 -2.645 59 HB2 LEU 12 1HB LEU 12 10.226 2.334 -0.331 60 HB3 LEU 12 2HB LEU 12 9.377 3.878 -0.374 61 HG LEU 12 HG LEU 12 7.242 2.621 -0.648 62 HD11 LEU 12 1HD1 LEU 12 7.206 0.243 -0.160 63 HD12 LEU 12 2HD1 LEU 12 8.964 0.224 -0.035 64 HD13 LEU 12 3HD1 LEU 12 8.195 0.566 -1.584 65 HD21 LEU 12 1HD2 LEU 12 7.217 3.105 1.526 66 HD22 LEU 12 2HD2 LEU 12 8.941 2.771 1.700 67 HD23 LEU 12 3HD2 LEU 12 7.772 1.453 1.800 68 H LEU 13 H LEU 13 9.438 5.411 -1.997 69 HA LEU 13 HA LEU 13 6.825 6.057 -2.582 70 HB2 LEU 13 1HB LEU 13 8.302 7.688 -1.658 71 HB3 LEU 13 2HB LEU 13 9.357 7.611 -3.067 72 HG LEU 13 HG LEU 13 7.318 8.509 -4.368 73 HD11 LEU 13 1HD1 LEU 13 5.461 8.946 -3.246 74 HD12 LEU 13 2HD1 LEU 13 6.343 10.046 -2.186 75 HD13 LEU 13 3HD1 LEU 13 6.209 8.338 -1.768 76 HD21 LEU 13 1HD2 LEU 13 7.886 10.854 -3.631 77 HD22 LEU 13 2HD2 LEU 13 9.251 9.853 -4.129 78 HD23 LEU 13 3HD2 LEU 13 8.936 10.128 -2.414 79 H LEU 14 H LEU 14 9.524 5.586 -4.806 80 HA LEU 14 HA LEU 14 8.121 6.422 -7.135 81 HB2 LEU 14 1HB LEU 14 10.470 6.482 -7.240 82 HB3 LEU 14 2HB LEU 14 10.618 4.821 -6.672 83 HG LEU 14 HG LEU 14 9.639 4.069 -8.843 84 HD11 LEU 14 1HD1 LEU 14 9.490 5.592 -10.686 85 HD12 LEU 14 2HD1 LEU 14 10.095 6.922 -9.697 86 HD13 LEU 14 3HD1 LEU 14 8.511 6.222 -9.360 87 HD21 LEU 14 1HD2 LEU 14 12.196 5.661 -8.854 88 HD22 LEU 14 2HD2 LEU 14 11.697 4.600 -10.172 89 HD23 LEU 14 3HD2 LEU 14 12.000 3.932 -8.567 90 H TRP 15 H TRP 15 8.716 3.281 -5.622 91 HA TRP 15 HA TRP 15 7.723 1.604 -7.588 92 HB2 TRP 15 1HB TRP 15 8.840 0.912 -5.441 93 HB3 TRP 15 2HB TRP 15 7.311 1.215 -4.619 94 HD1 TRP 15 HD TRP 15 8.451 -0.907 -7.679 95 HE1 TRP 15 1HE TRP 15 7.215 -3.163 -7.570 96 HE3 TRP 15 3HE TRP 15 5.649 -0.095 -3.481 97 HZ2 TRP 15 2HZ TRP 15 5.305 -4.429 -5.923 98 HZ3 TRP 15 3HZ TRP 15 4.142 -1.879 -2.705 99 HH2 TRP 15 HH TRP 15 3.974 -4.000 -3.903 100 H CYS 16 H CYS 16 5.899 2.867 -4.791 101 HA CYS 16 HA CYS 16 3.396 1.933 -5.586 102 HB2 CYS 16 1HB CYS 16 3.968 4.443 -3.998 103 HB3 CYS 16 2HB CYS 16 2.464 3.531 -4.007 104 HG CYS 16 HG CYS 16 5.149 3.111 -2.145 105 H GLN 17 H GLN 17 5.090 4.916 -6.384 106 HA GLN 17 HA GLN 17 2.990 6.298 -7.600 107 HB2 GLN 17 1HB GLN 17 5.964 6.378 -7.827 108 HB3 GLN 17 2HB GLN 17 5.011 7.248 -9.021 109 HG2 GLN 17 1HG GLN 17 3.989 8.589 -7.327 110 HG3 GLN 17 2HG GLN 17 4.729 7.622 -6.051 111 HE21 GLN 17 1HE2 GLN 17 5.040 10.320 -6.054 112 HE22 GLN 17 2HE2 GLN 17 6.673 10.730 -6.441 113 H MET 18 H MET 18 5.206 3.874 -8.890 114 HA MET 18 HA MET 18 4.309 4.109 -11.587 115 HB2 MET 18 1HB MET 18 5.838 1.937 -10.150 116 HB3 MET 18 2HB MET 18 5.502 1.911 -11.876 117 HG2 MET 18 1HG MET 18 6.664 4.168 -11.976 118 HG3 MET 18 2HG MET 18 7.226 3.825 -10.342 119 HE1 MET 18 1HE MET 18 9.172 2.119 -9.766 120 HE2 MET 18 2HE MET 18 7.883 0.964 -10.099 121 HE3 MET 18 3HE MET 18 9.486 0.722 -10.795 122 H LYS 19 H LYS 19 3.622 1.821 -8.959 123 HA LYS 19 HA LYS 19 1.857 0.180 -10.414 124 HB2 LYS 19 1HB LYS 19 1.835 0.707 -7.438 125 HB3 LYS 19 2HB LYS 19 1.154 -0.690 -8.261 126 HG2 LYS 19 1HG LYS 19 4.074 0.029 -8.121 127 HG3 LYS 19 2HG LYS 19 3.266 -1.243 -7.201 128 HD2 LYS 19 1HD LYS 19 2.558 -2.112 -9.553 129 HD3 LYS 19 2HD LYS 19 3.906 -1.125 -10.121 130 HE2 LYS 19 1HE LYS 19 5.227 -2.352 -8.236 131 HE3 LYS 19 2HE LYS 19 3.927 -3.538 -8.357 132 HZ1 LYS 19 1HZ LYS 19 4.520 -4.099 -10.494 133 HZ2 LYS 19 2HZ LYS 19 6.034 -3.814 -9.796 134 HZ3 LYS 19 3HZ LYS 19 5.324 -2.641 -10.788 135 H THR 20 H THR 20 1.098 2.682 -7.984 136 HA THR 20 HA THR 20 -1.655 2.702 -8.314 137 HB THR 20 HB THR 20 -1.634 4.973 -7.377 138 HG1 THR 20 1HG THR 20 1.160 4.780 -7.885 139 HG21 THR 20 1HG2 THR 20 -1.021 4.289 -5.297 140 HG22 THR 20 2HG2 THR 20 0.539 3.674 -5.842 141 HG23 THR 20 3HG2 THR 20 -0.923 2.724 -6.103 142 H ALA 21 H ALA 21 0.824 4.015 -10.345 143 HA ALA 21 HA ALA 21 -0.403 6.030 -11.728 144 HB1 ALA 21 1HB ALA 21 1.149 5.712 -13.411 145 HB2 ALA 21 2HB ALA 21 1.933 4.941 -12.031 146 HB3 ALA 21 3HB ALA 21 1.122 3.955 -13.248 147 H GLY 22 H GLY 22 -0.722 2.540 -12.353 148 HA2 GLY 22 1HA GLY 22 -2.187 2.375 -14.590 149 HA3 GLY 22 2HA GLY 22 -2.577 1.407 -13.175 150 H TYR 23 H TYR 23 -3.462 3.488 -11.484 151 HA TYR 23 HA TYR 23 -6.019 4.102 -12.790 152 HB2 TYR 23 1HB TYR 23 -5.542 4.354 -9.838 153 HB3 TYR 23 2HB TYR 23 -7.045 4.025 -10.694 154 HD1 TYR 23 2HD TYR 23 -3.815 2.540 -9.659 155 HD2 TYR 23 1HD TYR 23 -7.737 1.805 -11.136 156 HE1 TYR 23 2HE TYR 23 -3.507 0.133 -9.263 157 HE2 TYR 23 1HE TYR 23 -7.439 -0.605 -10.742 158 HH TYR 23 HH TYR 23 -4.413 -1.994 -10.056 159 HA PRO 24 HA PRO 24 -4.958 8.386 -12.915 160 HB2 PRO 24 1HB PRO 24 -7.455 9.372 -13.318 161 HB3 PRO 24 2HB PRO 24 -6.527 8.558 -14.584 162 HG2 PRO 24 1HG PRO 24 -8.699 7.473 -12.833 163 HG3 PRO 24 2HG PRO 24 -8.441 7.238 -14.572 164 HD2 PRO 24 1HD PRO 24 -7.738 5.381 -12.730 165 HD3 PRO 24 2HD PRO 24 -6.837 5.615 -14.242 166 H ASN 25 H ASN 25 -7.938 7.614 -11.103 167 HA ASN 25 HA ASN 25 -8.024 9.841 -9.474 168 HB2 ASN 25 1HB ASN 25 -8.754 7.097 -8.465 169 HB3 ASN 25 2HB ASN 25 -9.512 8.641 -8.084 170 HD21 ASN 25 1HD2 ASN 25 -11.091 9.425 -9.377 171 HD22 ASN 25 2HD2 ASN 25 -11.725 8.581 -10.745 172 H VAL 26 H VAL 26 -6.352 6.763 -8.883 173 HA VAL 26 HA VAL 26 -5.281 7.571 -6.366 174 HB VAL 26 HB VAL 26 -4.290 5.363 -8.172 175 HG11 VAL 26 1HG1 VAL 26 -2.833 6.150 -6.253 176 HG12 VAL 26 2HG1 VAL 26 -4.094 5.544 -5.177 177 HG13 VAL 26 3HG1 VAL 26 -3.255 4.438 -6.264 178 HG21 VAL 26 1HG2 VAL 26 -5.751 4.125 -6.255 179 HG22 VAL 26 2HG2 VAL 26 -6.693 5.596 -6.495 180 HG23 VAL 26 3HG2 VAL 26 -6.358 4.531 -7.861 181 H ASN 27 H ASN 27 -3.477 8.670 -5.911 182 HA ASN 27 HA ASN 27 -1.346 8.880 -7.887 183 HB2 ASN 27 1HB ASN 27 -1.358 11.210 -8.081 184 HB3 ASN 27 2HB ASN 27 -3.068 10.797 -8.154 185 HD21 ASN 27 1HD2 ASN 27 -4.346 11.098 -6.255 186 HD22 ASN 27 2HD2 ASN 27 -3.893 12.285 -5.084 187 H VAL 28 H VAL 28 0.572 8.711 -6.929 188 HA VAL 28 HA VAL 28 0.710 9.101 -4.017 189 HB VAL 28 HB VAL 28 2.716 7.618 -5.708 190 HG11 VAL 28 1HG1 VAL 28 3.849 7.509 -3.804 191 HG12 VAL 28 2HG1 VAL 28 2.562 8.364 -2.951 192 HG13 VAL 28 3HG1 VAL 28 2.515 6.606 -3.088 193 HG21 VAL 28 1HG2 VAL 28 0.383 6.675 -5.881 194 HG22 VAL 28 2HG2 VAL 28 1.605 5.573 -5.247 195 HG23 VAL 28 3HG2 VAL 28 0.471 6.357 -4.148 196 H HIS 29 H HIS 29 1.483 11.033 -3.476 197 HA HIS 29 HA HIS 29 3.858 12.028 -4.903 198 HB2 HIS 29 1HB HIS 29 3.029 14.315 -4.683 199 HB3 HIS 29 2HB HIS 29 1.878 13.330 -5.581 200 HD1 HIS 29 1HD HIS 29 1.764 15.906 -3.292 201 HD2 HIS 29 2HD HIS 29 -0.039 12.165 -3.373 202 HE1 HIS 29 1HE HIS 29 -0.224 16.085 -1.762 203 HE2 HIS 29 2HE HIS 29 -1.251 13.786 -1.761 204 H ASN 30 H ASN 30 2.705 10.879 -2.076 205 HA ASN 30 HA ASN 30 4.957 11.643 -0.573 206 HB2 ASN 30 1HB ASN 30 3.520 12.910 1.210 207 HB3 ASN 30 2HB ASN 30 4.142 13.783 -0.188 208 HD21 ASN 30 1HD2 ASN 30 1.425 11.540 -0.004 209 HD22 ASN 30 2HD2 ASN 30 0.220 12.684 -0.477 210 H PHE 31 H PHE 31 4.517 11.137 1.881 211 HA PHE 31 HA PHE 31 2.964 8.638 1.936 212 HB2 PHE 31 1HB PHE 31 5.417 9.521 3.448 213 HB3 PHE 31 2HB PHE 31 4.452 8.141 3.962 214 HD1 PHE 31 2HD PHE 31 3.979 6.369 2.075 215 HD2 PHE 31 1HD PHE 31 7.191 9.162 2.036 216 HE1 PHE 31 2HE PHE 31 5.213 4.923 0.512 217 HE2 PHE 31 1HE PHE 31 8.429 7.721 0.472 218 HZ PHE 31 HZ PHE 31 7.441 5.599 -0.291 219 H THR 32 H THR 32 1.921 11.359 2.392 220 HA THR 32 HA THR 32 0.896 10.939 5.121 221 HB THR 32 HB THR 32 0.648 13.472 5.231 222 HG1 THR 32 1HG THR 32 2.587 14.296 3.801 223 HG21 THR 32 1HG2 THR 32 2.611 13.627 6.382 224 HG22 THR 32 2HG2 THR 32 3.552 12.874 5.093 225 HG23 THR 32 3HG2 THR 32 2.572 11.877 6.169 226 H THR 33 H THR 33 0.178 13.182 2.448 227 HA THR 33 HA THR 33 -2.665 12.675 2.803 228 HB THR 33 HB THR 33 -3.011 14.505 1.213 229 HG1 THR 33 1HG THR 33 -0.190 14.828 1.127 230 HG21 THR 33 1HG2 THR 33 -1.732 16.307 2.512 231 HG22 THR 33 2HG2 THR 33 -1.086 14.977 3.474 232 HG23 THR 33 3HG2 THR 33 -2.824 15.269 3.426 233 H SER 34 H SER 34 -0.905 10.600 1.677 234 HA SER 34 HA SER 34 -2.134 10.344 -0.990 235 HB2 SER 34 1HB SER 34 0.305 10.491 -1.126 236 HB3 SER 34 2HB SER 34 0.464 9.158 0.016 237 HG SER 34 HG SER 34 -0.780 9.010 -2.533 238 H TRP 35 H TRP 35 -1.712 8.951 2.132 239 HA TRP 35 HA TRP 35 -3.242 6.582 1.274 240 HB2 TRP 35 1HB TRP 35 -1.455 6.641 3.698 241 HB3 TRP 35 2HB TRP 35 -2.113 5.241 2.857 242 HD1 TRP 35 HD TRP 35 0.368 8.130 2.078 243 HE1 TRP 35 1HE TRP 35 2.246 7.176 0.599 244 HE3 TRP 35 3HE TRP 35 -1.364 3.349 1.551 245 HZ2 TRP 35 2HZ TRP 35 2.906 4.721 -0.629 246 HZ3 TRP 35 3HZ TRP 35 -0.052 1.760 0.207 247 HH2 TRP 35 HH TRP 35 2.039 2.434 -0.859 248 H ARG 36 H ARG 36 -3.746 9.410 2.598 249 HA ARG 36 HA ARG 36 -4.854 9.006 5.126 250 HB2 ARG 36 1HB ARG 36 -4.422 11.227 4.129 251 HB3 ARG 36 2HB ARG 36 -5.751 10.969 3.008 252 HG2 ARG 36 1HG ARG 36 -7.119 10.606 5.223 253 HG3 ARG 36 2HG ARG 36 -5.810 11.563 5.919 254 HD2 ARG 36 1HD ARG 36 -6.230 13.324 4.265 255 HD3 ARG 36 2HD ARG 36 -7.547 12.367 3.588 256 HE ARG 36 HE ARG 36 -7.595 13.924 6.013 257 HH11 ARG 36 1HH1 ARG 36 -9.062 11.325 4.220 258 HH12 ARG 36 2HH1 ARG 36 -10.586 11.450 5.034 259 HH21 ARG 36 1HH2 ARG 36 -9.597 14.098 7.092 260 HH22 ARG 36 2HH2 ARG 36 -10.889 13.028 6.666 261 H ASP 37 H ASP 37 -6.561 9.155 1.994 262 HA ASP 37 HA ASP 37 -9.054 8.333 3.034 263 HB2 ASP 37 1HB ASP 37 -7.879 8.513 0.283 264 HB3 ASP 37 2HB ASP 37 -9.430 7.711 0.517 265 H GLY 38 H GLY 38 -6.450 6.547 1.411 266 HA2 GLY 38 1HA GLY 38 -5.991 4.301 2.346 267 HA3 GLY 38 2HA GLY 38 -7.731 4.052 2.348 268 H LEU 39 H LEU 39 -8.006 5.403 -0.279 269 HA LEU 39 HA LEU 39 -8.240 3.358 -1.995 270 HB2 LEU 39 1HB LEU 39 -7.259 6.136 -2.608 271 HB3 LEU 39 2HB LEU 39 -7.711 4.973 -3.853 272 HG LEU 39 HG LEU 39 -9.571 6.032 -1.726 273 HD11 LEU 39 1HD1 LEU 39 -9.637 6.719 -4.644 274 HD12 LEU 39 2HD1 LEU 39 -8.715 7.676 -3.486 275 HD13 LEU 39 3HD1 LEU 39 -10.461 7.509 -3.300 276 HD21 LEU 39 1HD2 LEU 39 -11.254 5.084 -3.432 277 HD22 LEU 39 2HD2 LEU 39 -10.421 3.961 -2.357 278 HD23 LEU 39 3HD2 LEU 39 -9.888 4.143 -4.029 279 H ALA 40 H ALA 40 -5.229 5.159 -1.460 280 HA ALA 40 HA ALA 40 -3.575 4.034 -3.323 281 HB1 ALA 40 1HB ALA 40 -3.250 5.525 -0.954 282 HB2 ALA 40 2HB ALA 40 -2.132 4.163 -0.862 283 HB3 ALA 40 3HB ALA 40 -2.075 5.258 -2.243 284 H PHE 41 H PHE 41 -4.179 2.747 -0.053 285 HA PHE 41 HA PHE 41 -2.628 0.431 -0.326 286 HB2 PHE 41 1HB PHE 41 -5.029 1.016 1.411 287 HB3 PHE 41 2HB PHE 41 -4.074 -0.457 1.546 288 HD1 PHE 41 1HD PHE 41 -1.455 -0.003 1.748 289 HD2 PHE 41 2HD PHE 41 -4.526 2.738 2.832 290 HE1 PHE 41 1HE PHE 41 0.110 1.149 3.258 291 HE2 PHE 41 2HE PHE 41 -2.966 3.894 4.343 292 HZ PHE 41 HZ PHE 41 -0.644 3.101 4.557 293 H ASN 42 H ASN 42 -6.026 1.053 -1.061 294 HA ASN 42 HA ASN 42 -6.560 -1.670 -1.809 295 HB2 ASN 42 1HB ASN 42 -8.183 0.832 -2.330 296 HB3 ASN 42 2HB ASN 42 -8.751 -0.825 -2.513 297 HD21 ASN 42 1HD2 ASN 42 -8.374 1.789 -0.417 298 HD22 ASN 42 2HD2 ASN 42 -8.857 1.006 1.046 299 H ALA 43 H ALA 43 -4.788 0.675 -3.251 300 HA ALA 43 HA ALA 43 -5.613 0.022 -5.985 301 HB1 ALA 43 1HB ALA 43 -3.382 1.904 -5.534 302 HB2 ALA 43 2HB ALA 43 -4.748 2.002 -6.647 303 HB3 ALA 43 3HB ALA 43 -4.967 2.409 -4.945 304 H ILE 44 H ILE 44 -2.901 -0.274 -3.764 305 HA ILE 44 HA ILE 44 -1.005 -1.241 -5.617 306 HB ILE 44 HB ILE 44 -1.194 -1.736 -2.643 307 HG12 ILE 44 1HG1 ILE 44 0.587 0.209 -4.110 308 HG13 ILE 44 2HG1 ILE 44 -0.995 0.659 -3.485 309 HG21 ILE 44 1HG2 ILE 44 1.302 -2.137 -2.908 310 HG22 ILE 44 2HG2 ILE 44 0.226 -3.410 -3.485 311 HG23 ILE 44 3HG2 ILE 44 0.981 -2.306 -4.635 312 HD11 ILE 44 1HD1 ILE 44 1.287 -0.396 -1.834 313 HD12 ILE 44 2HD1 ILE 44 0.819 1.298 -1.978 314 HD13 ILE 44 3HD1 ILE 44 -0.282 0.139 -1.232 315 H VAL 45 H VAL 45 -3.131 -2.966 -3.338 316 HA VAL 45 HA VAL 45 -2.364 -5.563 -4.074 317 HB VAL 45 HB VAL 45 -5.045 -4.666 -3.008 318 HG11 VAL 45 1HG1 VAL 45 -5.429 -6.834 -3.691 319 HG12 VAL 45 2HG1 VAL 45 -3.766 -7.338 -3.381 320 HG13 VAL 45 3HG1 VAL 45 -4.877 -7.080 -2.034 321 HG21 VAL 45 1HG2 VAL 45 -3.690 -3.974 -1.317 322 HG22 VAL 45 2HG2 VAL 45 -3.826 -5.674 -0.867 323 HG23 VAL 45 3HG2 VAL 45 -2.403 -5.104 -1.737 324 H HIS 46 H HIS 46 -5.372 -3.855 -4.959 325 HA HIS 46 HA HIS 46 -6.530 -5.515 -6.702 326 HB2 HIS 46 1HB HIS 46 -7.238 -3.151 -6.185 327 HB3 HIS 46 2HB HIS 46 -6.086 -2.609 -7.402 328 HD1 HIS 46 1HD HIS 46 -7.372 -1.954 -9.403 329 HD2 HIS 46 2HD HIS 46 -8.889 -5.407 -7.662 330 HE1 HIS 46 1HE HIS 46 -9.245 -2.699 -10.906 331 HE2 HIS 46 2HE HIS 46 -10.203 -4.741 -9.788 332 H LYS 47 H LYS 47 -3.655 -3.592 -7.406 333 HA LYS 47 HA LYS 47 -3.444 -4.212 -10.139 334 HB2 LYS 47 1HB LYS 47 -2.179 -2.424 -8.860 335 HB3 LYS 47 2HB LYS 47 -1.124 -3.705 -8.274 336 HG2 LYS 47 1HG LYS 47 0.031 -2.833 -10.083 337 HG3 LYS 47 2HG LYS 47 -0.762 -4.257 -10.757 338 HD2 LYS 47 1HD LYS 47 -2.346 -2.983 -11.900 339 HD3 LYS 47 2HD LYS 47 -2.065 -1.561 -10.893 340 HE2 LYS 47 1HE LYS 47 0.150 -1.293 -11.895 341 HE3 LYS 47 2HE LYS 47 -0.124 -2.720 -12.893 342 HZ1 LYS 47 1HZ LYS 47 -0.985 -1.354 -14.393 343 HZ2 LYS 47 2HZ LYS 47 -0.956 -0.039 -13.331 344 HZ3 LYS 47 3HZ LYS 47 -2.286 -1.083 -13.345 345 H HIS 48 H HIS 48 -2.048 -5.779 -7.277 346 HA HIS 48 HA HIS 48 -0.759 -7.829 -8.822 347 HB2 HIS 48 1HB HIS 48 -1.308 -7.928 -5.859 348 HB3 HIS 48 2HB HIS 48 -0.008 -8.712 -6.751 349 HD1 HIS 48 1HD HIS 48 1.522 -6.688 -8.097 350 HD2 HIS 48 2HD HIS 48 -0.347 -5.822 -4.489 351 HE1 HIS 48 1HE HIS 48 2.742 -4.694 -7.169 352 HE2 HIS 48 2HE HIS 48 1.648 -4.241 -4.946 353 H ARG 49 H ARG 49 -3.502 -7.801 -6.544 354 HA ARG 49 HA ARG 49 -4.534 -10.193 -7.920 355 HB2 ARG 49 1HB ARG 49 -4.816 -9.553 -4.979 356 HB3 ARG 49 2HB ARG 49 -5.439 -10.978 -5.797 357 HG2 ARG 49 1HG ARG 49 -2.537 -10.486 -6.040 358 HG3 ARG 49 2HG ARG 49 -3.137 -10.950 -4.445 359 HD2 ARG 49 1HD ARG 49 -2.400 -12.778 -6.157 360 HD3 ARG 49 2HD ARG 49 -3.834 -13.021 -5.162 361 HE ARG 49 HE ARG 49 -4.909 -11.929 -7.334 362 HH11 ARG 49 1HH1 ARG 49 -2.525 -14.446 -7.012 363 HH12 ARG 49 2HH1 ARG 49 -2.990 -15.253 -8.474 364 HH21 ARG 49 1HH2 ARG 49 -5.530 -12.982 -9.260 365 HH22 ARG 49 2HH2 ARG 49 -4.698 -14.417 -9.751 366 HA PRO 50 HA PRO 50 -7.692 -6.903 -8.399 367 HB2 PRO 50 1HB PRO 50 -8.562 -7.806 -10.807 368 HB3 PRO 50 2HB PRO 50 -7.160 -6.744 -10.629 369 HG2 PRO 50 1HG PRO 50 -7.253 -9.714 -10.997 370 HG3 PRO 50 2HG PRO 50 -6.179 -8.525 -11.758 371 HD2 PRO 50 1HD PRO 50 -5.405 -10.060 -9.667 372 HD3 PRO 50 2HD PRO 50 -4.796 -8.412 -9.919 373 H ASP 51 H ASP 51 -7.713 -10.114 -7.683 374 HA ASP 51 HA ASP 51 -10.555 -10.567 -8.106 375 HB2 ASP 51 1HB ASP 51 -9.159 -12.467 -8.517 376 HB3 ASP 51 2HB ASP 51 -8.353 -12.287 -6.961 377 H LEU 52 H LEU 52 -8.285 -10.220 -5.405 378 HA LEU 52 HA LEU 52 -9.894 -10.687 -3.251 379 HB2 LEU 52 1HB LEU 52 -7.957 -8.388 -3.461 380 HB3 LEU 52 2HB LEU 52 -8.501 -9.178 -1.983 381 HG LEU 52 HG LEU 52 -6.609 -10.212 -4.073 382 HD11 LEU 52 1HD1 LEU 52 -5.521 -10.760 -1.682 383 HD12 LEU 52 2HD1 LEU 52 -6.471 -9.335 -1.261 384 HD13 LEU 52 3HD1 LEU 52 -5.265 -9.243 -2.544 385 HD21 LEU 52 1HD2 LEU 52 -6.631 -12.355 -2.823 386 HD22 LEU 52 2HD2 LEU 52 -8.136 -12.026 -3.680 387 HD23 LEU 52 3HD2 LEU 52 -8.043 -11.781 -1.935 388 H LEU 53 H LEU 53 -9.411 -7.443 -4.664 389 HA LEU 53 HA LEU 53 -12.157 -6.781 -3.825 390 HB2 LEU 53 1HB LEU 53 -11.479 -4.568 -3.256 391 HB3 LEU 53 2HB LEU 53 -10.427 -5.702 -2.411 392 HG LEU 53 HG LEU 53 -9.558 -4.452 -4.993 393 HD11 LEU 53 1HD1 LEU 53 -9.969 -3.112 -2.428 394 HD12 LEU 53 2HD1 LEU 53 -9.721 -2.437 -4.038 395 HD13 LEU 53 3HD1 LEU 53 -8.336 -2.947 -3.073 396 HD21 LEU 53 1HD2 LEU 53 -7.666 -5.528 -4.560 397 HD22 LEU 53 2HD2 LEU 53 -8.455 -6.295 -3.182 398 HD23 LEU 53 3HD2 LEU 53 -7.562 -4.790 -2.962 399 H ASP 54 H ASP 54 -12.850 -4.649 -5.000 400 HA ASP 54 HA ASP 54 -12.277 -5.053 -7.857 401 HB2 ASP 54 1HB ASP 54 -14.696 -3.949 -6.428 402 HB3 ASP 54 2HB ASP 54 -14.466 -3.794 -8.168 403 H PHE 55 H PHE 55 -12.625 -2.592 -5.351 404 HA PHE 55 HA PHE 55 -11.812 -0.474 -5.178 405 HB2 PHE 55 1HB PHE 55 -9.698 -1.568 -5.968 406 HB3 PHE 55 2HB PHE 55 -10.145 -1.131 -7.614 407 HD1 PHE 55 1HD PHE 55 -9.368 0.282 -4.279 408 HD2 PHE 55 2HD PHE 55 -9.649 0.985 -8.468 409 HE1 PHE 55 1HE PHE 55 -8.295 2.476 -3.979 410 HE2 PHE 55 2HE PHE 55 -8.576 3.180 -8.174 411 HZ PHE 55 HZ PHE 55 -7.897 3.928 -5.929 412 H GLU 56 H GLU 56 -14.180 -1.028 -6.726 413 HA GLU 56 HA GLU 56 -14.104 1.256 -8.587 414 HB2 GLU 56 1HB GLU 56 -15.698 0.183 -9.993 415 HB3 GLU 56 2HB GLU 56 -14.435 -0.995 -9.666 416 HG2 GLU 56 1HG GLU 56 -15.902 -1.933 -7.867 417 HG3 GLU 56 2HG GLU 56 -17.182 -0.873 -8.456 418 H SER 57 H SER 57 -15.928 -0.490 -6.143 419 HA SER 57 HA SER 57 -18.184 1.253 -6.167 420 HB2 SER 57 1HB SER 57 -18.835 0.108 -4.100 421 HB3 SER 57 2HB SER 57 -18.314 -1.059 -5.316 422 HG SER 57 HG SER 57 -16.169 -0.805 -4.199 423 H LEU 58 H LEU 58 -15.246 1.040 -4.211 424 HA LEU 58 HA LEU 58 -15.605 2.705 -2.157 425 HB2 LEU 58 1HB LEU 58 -13.276 3.013 -4.042 426 HB3 LEU 58 2HB LEU 58 -13.311 3.412 -2.326 427 HG LEU 58 HG LEU 58 -13.522 0.627 -3.469 428 HD11 LEU 58 1HD1 LEU 58 -11.207 1.644 -1.887 429 HD12 LEU 58 2HD1 LEU 58 -11.293 1.971 -3.616 430 HD13 LEU 58 3HD1 LEU 58 -11.286 0.306 -3.034 431 HD21 LEU 58 1HD2 LEU 58 -14.633 1.212 -1.219 432 HD22 LEU 58 2HD2 LEU 58 -12.982 1.355 -0.613 433 HD23 LEU 58 3HD2 LEU 58 -13.546 -0.175 -1.287 434 H LYS 59 H LYS 59 -16.776 4.500 -2.027 435 HA LYS 59 HA LYS 59 -16.917 6.363 -4.242 436 HB2 LYS 59 1HB LYS 59 -18.814 5.619 -2.574 437 HB3 LYS 59 2HB LYS 59 -18.149 6.899 -1.568 438 HG2 LYS 59 1HG LYS 59 -18.388 8.330 -3.741 439 HG3 LYS 59 2HG LYS 59 -19.554 7.083 -4.188 440 HD2 LYS 59 1HD LYS 59 -19.731 8.313 -1.479 441 HD3 LYS 59 2HD LYS 59 -20.302 9.236 -2.870 442 HE2 LYS 59 1HE LYS 59 -22.222 8.131 -2.265 443 HE3 LYS 59 2HE LYS 59 -21.553 7.008 -3.447 444 HZ1 LYS 59 1HZ LYS 59 -20.737 6.630 -0.677 445 HZ2 LYS 59 2HZ LYS 59 -21.088 5.482 -1.869 446 HZ3 LYS 59 3HZ LYS 59 -22.346 6.256 -1.044 447 H LYS 60 H LYS 60 -14.363 6.042 -2.890 448 HA LYS 60 HA LYS 60 -12.754 7.236 -1.731 449 HB2 LYS 60 1HB LYS 60 -12.161 9.239 -2.922 450 HB3 LYS 60 2HB LYS 60 -12.757 8.061 -4.083 451 HG2 LYS 60 1HG LYS 60 -14.999 9.229 -3.901 452 HG3 LYS 60 2HG LYS 60 -14.142 10.514 -3.046 453 HD2 LYS 60 1HD LYS 60 -14.035 11.304 -5.196 454 HD3 LYS 60 2HD LYS 60 -12.536 10.374 -5.126 455 HE2 LYS 60 1HE LYS 60 -13.501 8.562 -6.307 456 HE3 LYS 60 2HE LYS 60 -15.129 9.211 -6.117 457 HZ1 LYS 60 1HZ LYS 60 -14.494 11.072 -7.543 458 HZ2 LYS 60 2HZ LYS 60 -14.319 9.594 -8.344 459 HZ3 LYS 60 3HZ LYS 60 -12.955 10.402 -7.754 460 H CYS 61 H CYS 61 -15.304 7.278 -0.361 461 HA CYS 61 HA CYS 61 -15.053 9.880 0.995 462 HB2 CYS 61 1HB CYS 61 -17.193 9.475 -0.394 463 HB3 CYS 61 2HB CYS 61 -17.638 8.343 0.877 464 HG CYS 61 HG CYS 61 -16.722 11.276 2.129 465 H ASN 62 H ASN 62 -16.328 6.577 1.431 466 HA ASN 62 HA ASN 62 -16.058 6.715 4.286 467 HB2 ASN 62 1HB ASN 62 -16.519 4.156 4.002 468 HB3 ASN 62 2HB ASN 62 -17.802 5.314 3.665 469 HD21 ASN 62 1HD2 ASN 62 -15.311 3.323 2.189 470 HD22 ASN 62 2HD2 ASN 62 -16.085 3.170 0.652 471 H ALA 63 H ALA 63 -13.794 7.256 4.411 472 HA ALA 63 HA ALA 63 -11.751 5.563 3.432 473 HB1 ALA 63 1HB ALA 63 -10.424 7.195 4.154 474 HB2 ALA 63 2HB ALA 63 -11.873 8.030 4.713 475 HB3 ALA 63 3HB ALA 63 -10.973 6.991 5.818 476 H HIS 64 H HIS 64 -13.713 5.511 6.309 477 HA HIS 64 HA HIS 64 -12.147 3.899 7.964 478 HB2 HIS 64 1HB HIS 64 -14.206 5.064 8.692 479 HB3 HIS 64 2HB HIS 64 -15.165 3.928 7.748 480 HD1 HIS 64 1HD HIS 64 -12.289 3.160 10.107 481 HD2 HIS 64 2HD HIS 64 -16.358 2.438 9.681 482 HE1 HIS 64 1HE HIS 64 -12.885 1.561 11.954 483 HE2 HIS 64 2HE HIS 64 -15.334 1.072 11.624 484 H TYR 65 H TYR 65 -14.668 2.950 5.636 485 HA TYR 65 HA TYR 65 -14.245 0.156 6.014 486 HB2 TYR 65 1HB TYR 65 -16.395 0.982 5.235 487 HB3 TYR 65 2HB TYR 65 -15.645 1.666 3.798 488 HD1 TYR 65 2HD TYR 65 -14.812 0.180 2.010 489 HD2 TYR 65 1HD TYR 65 -16.922 -1.351 5.372 490 HE1 TYR 65 2HE TYR 65 -15.199 -1.927 0.800 491 HE2 TYR 65 1HE TYR 65 -17.314 -3.463 4.173 492 HH TYR 65 HH TYR 65 -17.438 -4.193 1.725 493 H ASN 66 H ASN 66 -13.169 2.521 3.616 494 HA ASN 66 HA ASN 66 -11.972 0.795 1.792 495 HB2 ASN 66 1HB ASN 66 -11.119 3.589 2.587 496 HB3 ASN 66 2HB ASN 66 -10.577 2.738 1.144 497 HD21 ASN 66 1HD2 ASN 66 -11.532 4.859 0.329 498 HD22 ASN 66 2HD2 ASN 66 -13.191 4.805 -0.150 499 H LEU 67 H LEU 67 -10.491 2.446 4.579 500 HA LEU 67 HA LEU 67 -7.946 1.268 4.287 501 HB2 LEU 67 1HB LEU 67 -9.274 2.346 6.770 502 HB3 LEU 67 2HB LEU 67 -7.553 2.009 6.590 503 HG LEU 67 HG LEU 67 -8.823 3.939 4.711 504 HD11 LEU 67 1HD1 LEU 67 -7.778 5.318 6.991 505 HD12 LEU 67 2HD1 LEU 67 -9.076 4.234 7.493 506 HD13 LEU 67 3HD1 LEU 67 -9.370 5.444 6.243 507 HD21 LEU 67 1HD2 LEU 67 -6.529 5.026 5.234 508 HD22 LEU 67 2HD2 LEU 67 -6.590 3.587 4.214 509 HD23 LEU 67 3HD2 LEU 67 -6.128 3.448 5.911 510 H GLN 68 H GLN 68 -10.228 0.636 6.950 511 HA GLN 68 HA GLN 68 -9.174 -1.601 8.013 512 HB2 GLN 68 1HB GLN 68 -11.279 -2.128 8.899 513 HB3 GLN 68 2HB GLN 68 -11.360 -0.395 8.617 514 HG2 GLN 68 1HG GLN 68 -12.435 -1.001 6.376 515 HG3 GLN 68 2HG GLN 68 -12.652 -2.607 7.068 516 HE21 GLN 68 1HE2 GLN 68 -14.820 -2.632 7.272 517 HE22 GLN 68 2HE2 GLN 68 -15.717 -1.545 8.272 518 H ASN 69 H ASN 69 -11.094 -1.464 5.052 519 HA ASN 69 HA ASN 69 -11.410 -4.185 4.584 520 HB2 ASN 69 1HB ASN 69 -12.568 -2.511 3.252 521 HB3 ASN 69 2HB ASN 69 -11.039 -1.941 2.589 522 HD21 ASN 69 1HD2 ASN 69 -11.248 -2.406 0.493 523 HD22 ASN 69 2HD2 ASN 69 -11.536 -3.985 -0.146 524 H ALA 70 H ALA 70 -8.870 -2.054 3.264 525 HA ALA 70 HA ALA 70 -7.355 -4.059 2.046 526 HB1 ALA 70 1HB ALA 70 -6.017 -2.375 1.443 527 HB2 ALA 70 2HB ALA 70 -7.194 -1.327 2.238 528 HB3 ALA 70 3HB ALA 70 -5.759 -1.864 3.111 529 H PHE 71 H PHE 71 -6.913 -2.543 5.241 530 HA PHE 71 HA PHE 71 -4.696 -3.927 6.101 531 HB2 PHE 71 1HB PHE 71 -7.076 -3.173 7.810 532 HB3 PHE 71 2HB PHE 71 -5.436 -3.468 8.378 533 HD1 PHE 71 2HD PHE 71 -4.202 -1.999 5.894 534 HD2 PHE 71 1HD PHE 71 -7.135 -0.968 8.801 535 HE1 PHE 71 2HE PHE 71 -3.666 0.382 5.585 536 HE2 PHE 71 1HE PHE 71 -6.604 1.416 8.495 537 HZ PHE 71 HZ PHE 71 -4.867 2.093 6.887 538 H ASN 72 H ASN 72 -8.100 -4.883 6.496 539 HA ASN 72 HA ASN 72 -7.601 -7.318 7.803 540 HB2 ASN 72 1HB ASN 72 -9.938 -6.492 6.067 541 HB3 ASN 72 2HB ASN 72 -9.910 -7.925 7.091 542 HD21 ASN 72 1HD2 ASN 72 -11.497 -5.351 7.059 543 HD22 ASN 72 2HD2 ASN 72 -11.404 -4.782 8.688 544 H LEU 73 H LEU 73 -8.438 -6.745 4.380 545 HA LEU 73 HA LEU 73 -8.206 -9.303 3.419 546 HB2 LEU 73 1HB LEU 73 -7.773 -6.610 2.248 547 HB3 LEU 73 2HB LEU 73 -7.226 -8.003 1.318 548 HG LEU 73 HG LEU 73 -10.050 -7.713 2.322 549 HD11 LEU 73 1HD1 LEU 73 -8.915 -6.907 -0.351 550 HD12 LEU 73 2HD1 LEU 73 -9.568 -5.823 0.877 551 HD13 LEU 73 3HD1 LEU 73 -10.628 -6.972 0.059 552 HD21 LEU 73 1HD2 LEU 73 -10.568 -9.476 0.870 553 HD22 LEU 73 2HD2 LEU 73 -9.058 -9.968 1.641 554 HD23 LEU 73 3HD2 LEU 73 -9.041 -9.324 -0.001 555 H ALA 74 H ALA 74 -5.584 -6.882 3.304 556 HA ALA 74 HA ALA 74 -3.557 -8.584 2.473 557 HB1 ALA 74 1HB ALA 74 -2.860 -6.428 2.357 558 HB2 ALA 74 2HB ALA 74 -3.656 -5.972 3.863 559 HB3 ALA 74 3HB ALA 74 -2.128 -6.851 3.906 560 H GLU 75 H GLU 75 -4.987 -8.193 5.618 561 HA GLU 75 HA GLU 75 -2.867 -9.568 7.011 562 HB2 GLU 75 1HB GLU 75 -4.257 -7.816 8.096 563 HB3 GLU 75 2HB GLU 75 -5.652 -8.878 7.964 564 HG2 GLU 75 1HG GLU 75 -4.061 -10.542 9.253 565 HG3 GLU 75 2HG GLU 75 -3.307 -9.036 9.773 566 H LYS 76 H LYS 76 -5.747 -10.415 5.332 567 HA LYS 76 HA LYS 76 -5.732 -13.112 6.494 568 HB2 LYS 76 1HB LYS 76 -7.860 -11.612 6.257 569 HB3 LYS 76 2HB LYS 76 -7.817 -12.128 4.576 570 HG2 LYS 76 1HG LYS 76 -8.194 -14.363 5.128 571 HG3 LYS 76 2HG LYS 76 -7.748 -14.115 6.818 572 HD2 LYS 76 1HD LYS 76 -10.078 -14.270 6.868 573 HD3 LYS 76 2HD LYS 76 -9.771 -12.533 6.910 574 HE2 LYS 76 1HE LYS 76 -11.475 -12.770 5.332 575 HE3 LYS 76 2HE LYS 76 -10.010 -12.626 4.360 576 HZ1 LYS 76 1HZ LYS 76 -11.667 -15.005 4.872 577 HZ2 LYS 76 2HZ LYS 76 -10.033 -15.190 4.476 578 HZ3 LYS 76 3HZ LYS 76 -11.081 -14.408 3.401 579 H GLU 77 H GLU 77 -6.366 -11.727 3.265 580 HA GLU 77 HA GLU 77 -5.792 -14.013 1.803 581 HB2 GLU 77 1HB GLU 77 -5.358 -11.147 0.947 582 HB3 GLU 77 2HB GLU 77 -5.501 -12.532 -0.126 583 HG2 GLU 77 1HG GLU 77 -7.674 -11.657 1.759 584 HG3 GLU 77 2HG GLU 77 -7.553 -11.121 0.084 585 H LEU 78 H LEU 78 -3.629 -11.184 1.954 586 HA LEU 78 HA LEU 78 -1.368 -12.588 1.033 587 HB2 LEU 78 1HB LEU 78 -1.287 -10.113 2.735 588 HB3 LEU 78 2HB LEU 78 -0.121 -10.637 1.522 589 HG LEU 78 HG LEU 78 -2.936 -9.804 0.848 590 HD11 LEU 78 1HD1 LEU 78 -2.176 -7.630 0.370 591 HD12 LEU 78 2HD1 LEU 78 -0.486 -8.087 0.577 592 HD13 LEU 78 3HD1 LEU 78 -1.555 -8.004 1.977 593 HD21 LEU 78 1HD2 LEU 78 -2.380 -10.583 -1.155 594 HD22 LEU 78 2HD2 LEU 78 -0.735 -10.930 -0.621 595 HD23 LEU 78 3HD2 LEU 78 -1.142 -9.331 -1.247 596 H GLY 79 H GLY 79 -2.480 -11.765 4.293 597 HA2 GLY 79 1HA GLY 79 -2.098 -13.083 6.206 598 HA3 GLY 79 2HA GLY 79 -0.803 -13.907 5.350 599 H LEU 80 H LEU 80 -1.341 -10.439 5.892 600 HA LEU 80 HA LEU 80 1.322 -10.325 7.136 601 HB2 LEU 80 1HB LEU 80 -0.281 -8.193 5.735 602 HB3 LEU 80 2HB LEU 80 1.262 -7.915 6.540 603 HG LEU 80 HG LEU 80 1.066 -9.928 4.335 604 HD11 LEU 80 1HD1 LEU 80 0.059 -8.004 3.342 605 HD12 LEU 80 2HD1 LEU 80 1.723 -8.101 2.768 606 HD13 LEU 80 3HD1 LEU 80 1.291 -6.940 4.023 607 HD21 LEU 80 1HD2 LEU 80 3.306 -9.900 4.403 608 HD22 LEU 80 2HD2 LEU 80 3.089 -9.181 5.999 609 HD23 LEU 80 3HD2 LEU 80 3.378 -8.149 4.597 610 H THR 81 H THR 81 1.390 -8.116 8.523 611 HA THR 81 HA THR 81 -0.844 -8.318 10.437 612 HB THR 81 HB THR 81 2.038 -7.629 11.042 613 HG1 THR 81 1HG THR 81 2.131 -9.676 11.935 614 HG21 THR 81 1HG2 THR 81 0.939 -8.199 13.426 615 HG22 THR 81 2HG2 THR 81 -0.468 -7.516 12.612 616 HG23 THR 81 3HG2 THR 81 1.010 -6.566 12.765 617 H LYS 82 H LYS 82 -2.102 -6.584 10.315 618 HA LYS 82 HA LYS 82 -1.359 -4.134 9.143 619 HB2 LYS 82 1HB LYS 82 -3.510 -3.386 9.661 620 HB3 LYS 82 2HB LYS 82 -3.711 -5.128 9.519 621 HG2 LYS 82 1HG LYS 82 -3.514 -5.280 12.000 622 HG3 LYS 82 2HG LYS 82 -3.524 -3.516 12.053 623 HD2 LYS 82 1HD LYS 82 -5.752 -3.932 12.362 624 HD3 LYS 82 2HD LYS 82 -5.706 -3.832 10.600 625 HE2 LYS 82 1HE LYS 82 -5.264 -6.471 11.911 626 HE3 LYS 82 2HE LYS 82 -6.903 -5.832 11.816 627 HZ1 LYS 82 1HZ LYS 82 -5.203 -6.873 9.720 628 HZ2 LYS 82 2HZ LYS 82 -6.037 -5.459 9.313 629 HZ3 LYS 82 3HZ LYS 82 -6.891 -6.827 9.824 630 H LEU 83 H LEU 83 -0.102 -2.585 9.922 631 HA LEU 83 HA LEU 83 0.402 -2.465 12.802 632 HB2 LEU 83 1HB LEU 83 1.825 -0.781 10.788 633 HB3 LEU 83 2HB LEU 83 2.403 -1.404 12.333 634 HG LEU 83 HG LEU 83 1.844 -3.302 10.093 635 HD11 LEU 83 1HD1 LEU 83 4.593 -2.670 10.080 636 HD12 LEU 83 2HD1 LEU 83 3.708 -1.153 9.934 637 HD13 LEU 83 3HD1 LEU 83 3.416 -2.457 8.783 638 HD21 LEU 83 1HD2 LEU 83 3.309 -3.267 12.655 639 HD22 LEU 83 2HD2 LEU 83 4.067 -4.156 11.333 640 HD23 LEU 83 3HD2 LEU 83 2.437 -4.579 11.860 641 H LEU 84 H LEU 84 -0.887 -0.574 10.147 642 HA LEU 84 HA LEU 84 -1.276 1.754 11.852 643 HB2 LEU 84 1HB LEU 84 -1.954 1.267 8.956 644 HB3 LEU 84 2HB LEU 84 -2.196 2.792 9.805 645 HG LEU 84 HG LEU 84 0.524 1.543 9.547 646 HD11 LEU 84 1HD1 LEU 84 -0.100 3.730 7.713 647 HD12 LEU 84 2HD1 LEU 84 -0.961 2.232 7.362 648 HD13 LEU 84 3HD1 LEU 84 0.800 2.238 7.441 649 HD21 LEU 84 1HD2 LEU 84 1.083 4.054 9.669 650 HD22 LEU 84 2HD2 LEU 84 0.574 3.233 11.146 651 HD23 LEU 84 3HD2 LEU 84 -0.569 4.241 10.257 652 H ASP 85 H ASP 85 -3.540 2.854 11.417 653 HA ASP 85 HA ASP 85 -5.642 0.814 11.711 654 HB2 ASP 85 1HB ASP 85 -4.928 3.062 13.532 655 HB3 ASP 85 2HB ASP 85 -6.639 2.698 13.315 656 HA PRO 86 HA PRO 86 -7.833 3.106 8.667 657 HB2 PRO 86 1HB PRO 86 -10.374 2.375 9.282 658 HB3 PRO 86 2HB PRO 86 -9.222 1.284 8.501 659 HG2 PRO 86 1HG PRO 86 -10.011 1.460 11.384 660 HG3 PRO 86 2HG PRO 86 -9.773 0.021 10.375 661 HD2 PRO 86 1HD PRO 86 -7.900 0.903 12.122 662 HD3 PRO 86 2HD PRO 86 -7.479 0.089 10.601 663 H GLU 87 H GLU 87 -7.872 3.863 11.905 664 HA GLU 87 HA GLU 87 -9.652 6.170 11.466 665 HB2 GLU 87 1HB GLU 87 -9.088 4.562 13.946 666 HB3 GLU 87 2HB GLU 87 -9.764 6.182 14.032 667 HG2 GLU 87 1HG GLU 87 -11.491 5.173 12.312 668 HG3 GLU 87 2HG GLU 87 -10.990 3.660 13.065 669 H ASP 88 H ASP 88 -6.494 5.099 12.282 670 HA ASP 88 HA ASP 88 -5.679 7.674 13.365 671 HB2 ASP 88 1HB ASP 88 -4.446 4.974 13.134 672 HB3 ASP 88 2HB ASP 88 -3.362 6.360 13.196 673 H VAL 89 H VAL 89 -5.240 5.723 10.464 674 HA VAL 89 HA VAL 89 -3.299 7.373 9.233 675 HB VAL 89 HB VAL 89 -5.280 5.432 8.040 676 HG11 VAL 89 1HG1 VAL 89 -3.026 6.950 6.742 677 HG12 VAL 89 2HG1 VAL 89 -3.770 5.513 6.037 678 HG13 VAL 89 3HG1 VAL 89 -4.733 6.967 6.304 679 HG21 VAL 89 1HG2 VAL 89 -3.215 4.042 7.768 680 HG22 VAL 89 2HG2 VAL 89 -2.356 5.233 8.744 681 HG23 VAL 89 3HG2 VAL 89 -3.695 4.324 9.442 682 H ASN 90 H ASN 90 -6.834 7.200 8.899 683 HA ASN 90 HA ASN 90 -7.051 9.251 6.973 684 HB2 ASN 90 1HB ASN 90 -9.469 9.356 7.853 685 HB3 ASN 90 2HB ASN 90 -8.921 7.835 7.153 686 HD21 ASN 90 1HD2 ASN 90 -11.068 8.308 9.034 687 HD22 ASN 90 2HD2 ASN 90 -10.702 7.374 10.440 688 H VAL 91 H VAL 91 -5.718 10.951 7.712 689 HA VAL 91 HA VAL 91 -7.091 12.796 9.474 690 HB VAL 91 HB VAL 91 -5.668 11.467 11.014 691 HG11 VAL 91 1HG1 VAL 91 -3.837 11.439 9.028 692 HG12 VAL 91 2HG1 VAL 91 -3.189 12.725 10.049 693 HG13 VAL 91 3HG1 VAL 91 -3.463 11.117 10.721 694 HG21 VAL 91 1HG2 VAL 91 -4.710 14.309 10.706 695 HG22 VAL 91 2HG2 VAL 91 -6.252 13.850 11.431 696 HG23 VAL 91 3HG2 VAL 91 -4.738 13.347 12.185 697 H ASP 92 H ASP 92 -6.190 14.958 9.397 698 HA ASP 92 HA ASP 92 -5.637 15.891 6.876 699 HB2 ASP 92 1HB ASP 92 -4.952 17.056 9.574 700 HB3 ASP 92 2HB ASP 92 -4.675 17.928 8.069 701 H GLN 93 H GLN 93 -3.250 15.357 9.470 702 HA GLN 93 HA GLN 93 -1.225 14.893 7.397 703 HB2 GLN 93 1HB GLN 93 -0.910 16.662 9.826 704 HB3 GLN 93 2HB GLN 93 0.427 16.128 8.816 705 HG2 GLN 93 1HG GLN 93 -0.491 17.295 6.915 706 HG3 GLN 93 2HG GLN 93 -1.913 17.754 7.850 707 HE21 GLN 93 1HE2 GLN 93 -1.579 19.940 7.599 708 HE22 GLN 93 2HE2 GLN 93 -0.290 20.786 8.376 709 HA PRO 94 HA PRO 94 -1.214 11.412 10.386 710 HB2 PRO 94 1HB PRO 94 -0.593 9.542 8.520 711 HB3 PRO 94 2HB PRO 94 -2.248 10.082 8.824 712 HG2 PRO 94 1HG PRO 94 -0.348 10.916 6.666 713 HG3 PRO 94 2HG PRO 94 -2.079 10.549 6.551 714 HD2 PRO 94 1HD PRO 94 -1.133 13.083 6.645 715 HD3 PRO 94 2HD PRO 94 -2.701 12.624 7.338 716 H ASP 95 H ASP 95 0.536 9.692 10.675 717 HA ASP 95 HA ASP 95 3.108 11.034 10.600 718 HB2 ASP 95 1HB ASP 95 2.073 8.549 11.941 719 HB3 ASP 95 2HB ASP 95 3.800 8.889 11.872 720 H GLU 96 H GLU 96 3.586 10.960 8.374 721 HA GLU 96 HA GLU 96 3.492 8.863 6.635 722 HB2 GLU 96 1HB GLU 96 5.686 9.882 5.682 723 HB3 GLU 96 2HB GLU 96 4.219 10.850 5.684 724 HG2 GLU 96 1HG GLU 96 4.948 12.059 7.620 725 HG3 GLU 96 2HG GLU 96 6.348 11.005 7.803 726 H LYS 97 H LYS 97 5.749 9.345 9.259 727 HA LYS 97 HA LYS 97 7.665 7.416 8.517 728 HB2 LYS 97 1HB LYS 97 6.945 8.872 10.999 729 HB3 LYS 97 2HB LYS 97 7.868 7.388 11.201 730 HG2 LYS 97 1HG LYS 97 9.419 9.176 11.100 731 HG3 LYS 97 2HG LYS 97 9.531 8.306 9.568 732 HD2 LYS 97 1HD LYS 97 7.637 10.586 9.713 733 HD3 LYS 97 2HD LYS 97 9.361 10.961 9.695 734 HE2 LYS 97 1HE LYS 97 7.975 9.201 7.677 735 HE3 LYS 97 2HE LYS 97 8.305 10.916 7.440 736 HZ1 LYS 97 1HZ LYS 97 10.723 10.049 8.098 737 HZ2 LYS 97 2HZ LYS 97 10.168 10.105 6.501 738 HZ3 LYS 97 3HZ LYS 97 10.122 8.650 7.361 739 H SER 98 H SER 98 4.730 7.208 10.485 740 HA SER 98 HA SER 98 5.109 4.440 11.123 741 HB2 SER 98 1HB SER 98 2.833 6.380 11.473 742 HB3 SER 98 2HB SER 98 2.635 4.665 11.835 743 HG SER 98 HG SER 98 4.857 5.962 12.907 744 H ILE 99 H ILE 99 4.195 6.016 8.336 745 HA ILE 99 HA ILE 99 2.419 3.872 7.427 746 HB ILE 99 HB ILE 99 3.142 6.501 6.128 747 HG12 ILE 99 1HG1 ILE 99 0.489 5.592 7.254 748 HG13 ILE 99 2HG1 ILE 99 1.654 6.541 8.173 749 HG21 ILE 99 1HG2 ILE 99 2.670 4.589 4.553 750 HG22 ILE 99 2HG2 ILE 99 1.041 4.549 5.223 751 HG23 ILE 99 3HG2 ILE 99 1.614 5.992 4.390 752 HD11 ILE 99 1HD1 ILE 99 0.331 7.388 5.607 753 HD12 ILE 99 2HD1 ILE 99 -0.093 7.939 7.228 754 HD13 ILE 99 3HD1 ILE 99 1.482 8.340 6.544 755 H ILE 100 H ILE 100 5.351 5.593 6.360 756 HA ILE 100 HA ILE 100 5.994 4.165 4.118 757 HB ILE 100 HB ILE 100 7.896 5.183 6.231 758 HG12 ILE 100 1HG1 ILE 100 7.456 6.508 3.595 759 HG13 ILE 100 2HG1 ILE 100 6.211 6.690 4.827 760 HG21 ILE 100 1HG2 ILE 100 8.825 3.431 4.669 761 HG22 ILE 100 2HG2 ILE 100 8.552 4.578 3.359 762 HG23 ILE 100 3HG2 ILE 100 9.661 4.983 4.669 763 HD11 ILE 100 1HD1 ILE 100 8.148 8.423 4.613 764 HD12 ILE 100 2HD1 ILE 100 7.560 7.925 6.199 765 HD13 ILE 100 3HD1 ILE 100 9.045 7.229 5.550 766 H THR 101 H THR 101 6.363 3.190 7.466 767 HA THR 101 HA THR 101 7.974 0.898 6.951 768 HB THR 101 HB THR 101 6.163 1.249 9.336 769 HG1 THR 101 1HG THR 101 8.833 2.157 9.300 770 HG21 THR 101 1HG2 THR 101 8.667 0.221 10.051 771 HG22 THR 101 2HG2 THR 101 8.220 -0.619 8.566 772 HG23 THR 101 3HG2 THR 101 7.140 -0.656 9.960 773 H TYR 102 H TYR 102 4.506 1.463 7.227 774 HA TYR 102 HA TYR 102 3.745 -1.271 7.201 775 HB2 TYR 102 1HB TYR 102 2.258 0.504 8.028 776 HB3 TYR 102 2HB TYR 102 2.155 1.179 6.405 777 HD1 TYR 102 2HD TYR 102 1.368 -0.585 4.565 778 HD2 TYR 102 1HD TYR 102 0.548 -0.873 8.729 779 HE1 TYR 102 2HE TYR 102 -0.557 -2.037 4.079 780 HE2 TYR 102 1HE TYR 102 -1.378 -2.328 8.256 781 HH TYR 102 HH TYR 102 -2.013 -3.546 5.041 782 H VAL 103 H VAL 103 3.540 1.223 4.656 783 HA VAL 103 HA VAL 103 2.751 -0.428 2.570 784 HB VAL 103 HB VAL 103 2.690 1.948 2.274 785 HG11 VAL 103 1HG1 VAL 103 5.697 1.888 2.514 786 HG12 VAL 103 2HG1 VAL 103 4.730 3.304 2.096 787 HG13 VAL 103 3HG1 VAL 103 4.566 2.563 3.688 788 HG21 VAL 103 1HG2 VAL 103 4.641 0.583 0.433 789 HG22 VAL 103 2HG2 VAL 103 2.904 0.792 0.211 790 HG23 VAL 103 3HG2 VAL 103 3.980 2.187 0.120 791 H ALA 104 H ALA 104 5.896 0.020 3.996 792 HA ALA 104 HA ALA 104 7.558 -0.919 1.979 793 HB1 ALA 104 1HB ALA 104 8.004 -1.596 4.868 794 HB2 ALA 104 2HB ALA 104 9.197 -1.234 3.619 795 HB3 ALA 104 3HB ALA 104 8.176 0.052 4.262 796 H THR 105 H THR 105 5.608 -2.704 4.312 797 HA THR 105 HA THR 105 6.632 -5.267 3.858 798 HB THR 105 HB THR 105 4.568 -6.132 4.791 799 HG1 THR 105 1HG THR 105 3.600 -3.574 4.092 800 HG21 THR 105 1HG2 THR 105 5.570 -5.466 6.685 801 HG22 THR 105 2HG2 THR 105 4.409 -4.139 6.678 802 HG23 THR 105 3HG2 THR 105 6.019 -3.905 5.999 803 H TYR 106 H TYR 106 4.050 -3.490 2.212 804 HA TYR 106 HA TYR 106 3.073 -5.514 0.582 805 HB2 TYR 106 1HB TYR 106 3.268 -2.533 0.217 806 HB3 TYR 106 2HB TYR 106 2.567 -3.558 -1.031 807 HD1 TYR 106 1HD TYR 106 2.134 -4.530 2.445 808 HD2 TYR 106 2HD TYR 106 0.434 -2.339 -0.781 809 HE1 TYR 106 1HE TYR 106 -0.025 -4.482 3.623 810 HE2 TYR 106 2HE TYR 106 -1.728 -2.282 0.388 811 HH TYR 106 HH TYR 106 -2.329 -2.497 3.158 812 H TYR 107 H TYR 107 5.764 -3.274 0.000 813 HA TYR 107 HA TYR 107 6.381 -4.248 -2.588 814 HB2 TYR 107 1HB TYR 107 7.193 -2.092 -2.082 815 HB3 TYR 107 2HB TYR 107 7.907 -2.624 -0.563 816 HD1 TYR 107 2HD TYR 107 8.249 -2.851 -4.248 817 HD2 TYR 107 1HD TYR 107 10.140 -3.375 -0.473 818 HE1 TYR 107 2HE TYR 107 10.410 -3.162 -5.381 819 HE2 TYR 107 1HE TYR 107 12.306 -3.686 -1.595 820 HH TYR 107 HH TYR 107 12.602 -3.426 -5.122 821 H HIS 108 H HIS 108 8.043 -4.738 0.532 822 HA HIS 108 HA HIS 108 9.927 -6.582 -0.306 823 HB2 HIS 108 1HB HIS 108 8.581 -6.069 2.321 824 HB3 HIS 108 2HB HIS 108 9.653 -7.456 2.154 825 HD1 HIS 108 1HD HIS 108 11.905 -6.248 0.492 826 HD2 HIS 108 2HD HIS 108 10.114 -4.304 3.697 827 HE1 HIS 108 1HE HIS 108 13.594 -4.563 1.286 828 HE2 HIS 108 2HE HIS 108 12.523 -3.458 3.279 829 H TYR 109 H TYR 109 6.931 -7.440 1.433 830 HA TYR 109 HA TYR 109 6.911 -10.115 1.232 831 HB2 TYR 109 1HB TYR 109 5.065 -9.031 2.281 832 HB3 TYR 109 2HB TYR 109 4.606 -8.218 0.789 833 HD1 TYR 109 2HD TYR 109 4.566 -11.406 2.611 834 HD2 TYR 109 1HD TYR 109 3.329 -9.361 -0.909 835 HE1 TYR 109 2HE TYR 109 3.016 -13.244 2.095 836 HE2 TYR 109 1HE TYR 109 1.775 -11.192 -1.434 837 HH TYR 109 HH TYR 109 0.638 -12.997 -0.394 838 H PHE 110 H PHE 110 5.288 -8.161 -1.274 839 HA PHE 110 HA PHE 110 4.941 -10.185 -3.127 840 HB2 PHE 110 1HB PHE 110 5.077 -7.216 -3.277 841 HB3 PHE 110 2HB PHE 110 5.182 -8.108 -4.791 842 HD1 PHE 110 2HD PHE 110 3.360 -10.183 -4.760 843 HD2 PHE 110 1HD PHE 110 2.991 -6.409 -2.826 844 HE1 PHE 110 2HE PHE 110 0.910 -10.407 -4.796 845 HE2 PHE 110 1HE PHE 110 0.540 -6.627 -2.859 846 HZ PHE 110 HZ PHE 110 -0.504 -8.627 -3.847 847 H SER 111 H SER 111 7.723 -8.079 -2.614 848 HA SER 111 HA SER 111 9.242 -8.535 -4.835 849 HB2 SER 111 1HB SER 111 9.798 -7.153 -2.733 850 HB3 SER 111 2HB SER 111 10.478 -8.648 -2.089 851 HG SER 111 HG SER 111 11.269 -7.237 -4.415 852 H LYS 112 H LYS 112 9.419 -10.518 -1.873 853 HA LYS 112 HA LYS 112 11.135 -12.465 -2.578 854 HB2 LYS 112 1HB LYS 112 8.463 -12.925 -1.238 855 HB3 LYS 112 2HB LYS 112 9.822 -14.041 -1.202 856 HG2 LYS 112 1HG LYS 112 11.067 -11.910 -0.241 857 HG3 LYS 112 2HG LYS 112 9.423 -11.483 0.240 858 HD2 LYS 112 1HD LYS 112 10.051 -12.688 2.075 859 HD3 LYS 112 2HD LYS 112 9.410 -13.996 1.079 860 HE2 LYS 112 1HE LYS 112 11.684 -14.474 0.279 861 HE3 LYS 112 2HE LYS 112 12.308 -13.192 1.314 862 HZ1 LYS 112 1HZ LYS 112 10.680 -15.168 2.662 863 HZ2 LYS 112 2HZ LYS 112 12.147 -14.469 3.133 864 HZ3 LYS 112 3HZ LYS 112 12.138 -15.760 2.040 865 H MET 113 H MET 113 7.685 -12.465 -3.461 866 HA MET 113 HA MET 113 8.075 -14.740 -5.217 867 HB2 MET 113 1HB MET 113 5.646 -14.506 -5.654 868 HB3 MET 113 2HB MET 113 6.022 -14.655 -3.943 869 HG2 MET 113 1HG MET 113 5.689 -12.313 -3.599 870 HG3 MET 113 2HG MET 113 5.519 -12.036 -5.331 871 HE1 MET 113 1HE MET 113 2.314 -13.581 -6.343 872 HE2 MET 113 2HE MET 113 2.649 -11.851 -6.269 873 HE3 MET 113 3HE MET 113 3.921 -12.977 -6.748 874 H LYS 114 H LYS 114 7.069 -14.585 -7.460 875 HA LYS 114 HA LYS 114 8.526 -13.003 -9.121 876 HB2 LYS 114 1HB LYS 114 5.826 -14.259 -9.416 877 HB3 LYS 114 2HB LYS 114 6.431 -13.215 -10.695 878 HG2 LYS 114 1HG LYS 114 8.066 -15.495 -9.645 879 HG3 LYS 114 2HG LYS 114 6.837 -15.733 -10.890 880 HD2 LYS 114 1HD LYS 114 8.004 -14.532 -12.463 881 HD3 LYS 114 2HD LYS 114 8.845 -13.560 -11.251 882 HE2 LYS 114 1HE LYS 114 10.397 -15.231 -10.810 883 HE3 LYS 114 2HE LYS 114 9.366 -16.500 -11.469 884 HZ1 LYS 114 1HZ LYS 114 10.394 -14.372 -13.227 885 HZ2 LYS 114 2HZ LYS 114 9.912 -15.943 -13.624 886 HZ3 LYS 114 3HZ LYS 114 11.381 -15.687 -12.826 887 H ALA 115 H ALA 115 8.763 -10.871 -9.154 888 HA ALA 115 HA ALA 115 6.440 -9.166 -9.423 889 HB1 ALA 115 1HB ALA 115 7.442 -9.540 -6.878 890 HB2 ALA 115 2HB ALA 115 8.185 -8.028 -7.401 891 HB3 ALA 115 3HB ALA 115 6.429 -8.198 -7.415 892 H LEU 116 H LEU 116 6.971 -7.018 -10.127 893 HA LEU 116 HA LEU 116 9.473 -6.956 -11.619 894 HB2 LEU 116 1HB LEU 116 6.874 -5.515 -11.773 895 HB3 LEU 116 2HB LEU 116 8.308 -4.735 -12.436 896 HG LEU 116 HG LEU 116 7.131 -5.837 -14.209 897 HD11 LEU 116 1HD1 LEU 116 8.926 -6.838 -15.190 898 HD12 LEU 116 2HD1 LEU 116 9.339 -7.768 -13.750 899 HD13 LEU 116 3HD1 LEU 116 9.741 -6.053 -13.836 900 HD21 LEU 116 1HD2 LEU 116 5.894 -7.626 -13.766 901 HD22 LEU 116 2HD2 LEU 116 6.685 -7.847 -12.206 902 HD23 LEU 116 3HD2 LEU 116 7.379 -8.572 -13.656 903 H ALA 117 H ALA 117 11.074 -5.467 -11.339 904 HA ALA 117 HA ALA 117 10.778 -3.153 -9.687 905 HB1 ALA 117 1HB ALA 117 12.822 -4.902 -8.495 906 HB2 ALA 117 2HB ALA 117 11.693 -3.783 -7.729 907 HB3 ALA 117 3HB ALA 117 11.149 -5.388 -8.218 908 H VAL 118 H VAL 118 12.751 -1.883 -9.563 909 HA VAL 118 HA VAL 118 14.853 -2.701 -11.442 910 HB VAL 118 HB VAL 118 13.453 -1.284 -12.772 911 HG11 VAL 118 1HG1 VAL 118 12.231 -0.208 -10.935 912 HG12 VAL 118 2HG1 VAL 118 13.655 0.768 -10.568 913 HG13 VAL 118 3HG1 VAL 118 12.820 0.968 -12.110 914 HG21 VAL 118 1HG2 VAL 118 15.301 -0.391 -13.619 915 HG22 VAL 118 2HG2 VAL 118 15.247 0.879 -12.397 916 HG23 VAL 118 3HG2 VAL 118 16.130 -0.614 -12.079 917 H GLU 119 H GLU 119 16.852 -2.322 -10.713 918 HA GLU 119 HA GLU 119 17.204 -1.143 -8.115 919 HB2 GLU 119 1HB GLU 119 18.525 -3.077 -8.668 920 HB3 GLU 119 2HB GLU 119 19.159 -2.291 -10.108 921 HG2 GLU 119 1HG GLU 119 20.215 -0.592 -8.595 922 HG3 GLU 119 2HG GLU 119 19.749 -1.620 -7.241 923 H GLY 120 H GLY 120 18.157 0.777 -7.586 924 HA2 GLY 120 1HA GLY 120 18.449 2.691 -9.792 925 HA3 GLY 120 2HA GLY 120 18.209 3.100 -8.099 926 H LYS 121 H LYS 121 20.167 4.304 -9.676 927 HA LYS 121 HA LYS 121 22.604 3.303 -8.364 928 HB2 LYS 121 1HB LYS 121 22.441 2.843 -10.887 929 HB3 LYS 121 2HB LYS 121 22.636 4.580 -11.091 930 HG2 LYS 121 1HG LYS 121 24.787 4.508 -10.005 931 HG3 LYS 121 2HG LYS 121 24.585 2.791 -9.653 932 HD2 LYS 121 1HD LYS 121 24.545 3.888 -12.455 933 HD3 LYS 121 2HD LYS 121 26.035 3.381 -11.655 934 HE2 LYS 121 1HE LYS 121 23.693 1.527 -11.736 935 HE3 LYS 121 2HE LYS 121 24.707 1.710 -13.167 936 HZ1 LYS 121 1HZ LYS 121 25.977 1.192 -10.568 937 HZ2 LYS 121 2HZ LYS 121 26.507 0.785 -12.122 938 HZ3 LYS 121 3HZ LYS 121 25.254 -0.093 -11.400 939 H SER 122 H SER 122 20.952 5.256 -7.280 940 HA SER 122 HA SER 122 22.203 7.822 -7.900 941 HB2 SER 122 1HB SER 122 20.482 8.795 -6.455 942 HB3 SER 122 2HB SER 122 19.747 7.740 -7.661 943 HG SER 122 HG SER 122 19.330 6.253 -6.129 944 H GLY 123 H GLY 123 23.666 8.798 -6.628 945 HA2 GLY 123 1HA GLY 123 24.983 7.336 -4.593 946 HA3 GLY 123 2HA GLY 123 25.253 9.028 -4.982 947 HA PRO 124 HA PRO 124 22.728 8.305 -0.955 948 HB2 PRO 124 1HB PRO 124 24.725 8.226 0.882 949 HB3 PRO 124 2HB PRO 124 24.065 6.775 0.118 950 HG2 PRO 124 1HG PRO 124 26.558 8.295 -0.541 951 HG3 PRO 124 2HG PRO 124 26.309 6.541 -0.442 952 HD2 PRO 124 1HD PRO 124 26.363 7.875 -2.799 953 HD3 PRO 124 2HD PRO 124 25.362 6.431 -2.541 954 H SER 125 H SER 125 22.267 9.985 0.466 955 HA SER 125 HA SER 125 24.047 12.207 0.819 956 HB2 SER 125 1HB SER 125 22.614 13.896 -0.250 957 HB3 SER 125 2HB SER 125 23.190 12.717 -1.429 958 HG SER 125 HG SER 125 21.092 11.624 -0.962 959 H SER 126 H SER 126 23.141 13.859 2.240 960 HA SER 126 HA SER 126 20.697 13.098 3.653 961 HB2 SER 126 1HB SER 126 23.437 13.296 4.894 962 HB3 SER 126 2HB SER 126 21.973 13.529 5.850 963 HG SER 126 HG SER 126 23.102 11.236 5.011 964 H GLY 127 H GLY 127 19.522 14.806 4.332 965 HA2 GLY 127 1HA GLY 127 20.811 17.430 4.541 966 HA3 GLY 127 2HA GLY 127 19.494 17.250 3.391 Start of MODEL 10 1 H1 GLY 1 H GLY 1 5.372 13.145 -7.734 2 HA2 GLY 1 1HA GLY 1 6.878 12.222 -9.199 3 HA3 GLY 1 2HA GLY 1 6.290 13.395 -10.367 4 H SER 2 H SER 2 8.982 12.321 -8.829 5 HA SER 2 HA SER 2 10.555 14.537 -9.727 6 HB2 SER 2 1HB SER 2 11.422 15.296 -7.629 7 HB3 SER 2 2HB SER 2 9.664 15.326 -7.492 8 HG SER 2 HG SER 2 10.089 13.046 -6.620 9 H SER 3 H SER 3 12.753 14.054 -9.845 10 HA SER 3 HA SER 3 13.657 11.483 -8.798 11 HB2 SER 3 1HB SER 3 12.768 11.028 -11.072 12 HB3 SER 3 2HB SER 3 13.900 12.212 -11.727 13 HG SER 3 HG SER 3 14.963 10.333 -11.926 14 H GLY 4 H GLY 4 15.768 11.473 -8.218 15 HA2 GLY 4 1HA GLY 4 17.665 13.336 -9.331 16 HA3 GLY 4 2HA GLY 4 17.185 13.734 -7.688 17 H SER 5 H SER 5 17.760 12.345 -5.984 18 HA SER 5 HA SER 5 20.092 10.687 -6.599 19 HB2 SER 5 1HB SER 5 19.072 11.777 -3.966 20 HB3 SER 5 2HB SER 5 20.528 10.801 -4.153 21 HG SER 5 HG SER 5 21.526 12.567 -4.657 22 H SER 6 H SER 6 20.353 8.605 -5.615 23 HA SER 6 HA SER 6 17.875 7.106 -5.585 24 HB2 SER 6 1HB SER 6 20.745 6.177 -5.318 25 HB3 SER 6 2HB SER 6 19.344 5.121 -5.489 26 HG SER 6 HG SER 6 19.870 5.332 -7.537 27 H GLY 7 H GLY 7 16.950 7.898 -3.636 28 HA2 GLY 7 1HA GLY 7 18.353 7.137 -1.163 29 HA3 GLY 7 2HA GLY 7 17.018 8.275 -1.270 30 H ALA 8 H ALA 8 17.116 6.165 0.577 31 HA ALA 8 HA ALA 8 15.722 3.863 -0.257 32 HB1 ALA 8 1HB ALA 8 17.031 4.363 1.941 33 HB2 ALA 8 2HB ALA 8 15.461 4.914 2.525 34 HB3 ALA 8 3HB ALA 8 15.659 3.254 1.965 35 H LYS 9 H LYS 9 14.554 6.783 1.422 36 HA LYS 9 HA LYS 9 11.870 6.145 1.573 37 HB2 LYS 9 1HB LYS 9 12.814 8.102 2.675 38 HB3 LYS 9 2HB LYS 9 13.132 8.855 1.117 39 HG2 LYS 9 1HG LYS 9 10.863 9.239 0.708 40 HG3 LYS 9 2HG LYS 9 10.356 8.094 1.952 41 HD2 LYS 9 1HD LYS 9 10.834 9.560 3.679 42 HD3 LYS 9 2HD LYS 9 11.970 10.497 2.705 43 HE2 LYS 9 1HE LYS 9 10.204 11.939 2.717 44 HE3 LYS 9 2HE LYS 9 9.791 10.990 1.291 45 HZ1 LYS 9 1HZ LYS 9 7.835 11.061 2.511 46 HZ2 LYS 9 2HZ LYS 9 8.618 10.854 3.996 47 HZ3 LYS 9 3HZ LYS 9 8.480 9.552 2.925 48 H ASP 10 H ASP 10 13.576 7.807 -1.066 49 HA ASP 10 HA ASP 10 11.328 8.176 -2.718 50 HB2 ASP 10 1HB ASP 10 13.460 9.380 -3.028 51 HB3 ASP 10 2HB ASP 10 14.228 7.876 -3.527 52 H ALA 11 H ALA 11 13.816 5.633 -2.713 53 HA ALA 11 HA ALA 11 13.167 4.114 -4.841 54 HB1 ALA 11 1HB ALA 11 14.560 3.691 -2.458 55 HB2 ALA 11 2HB ALA 11 13.416 2.354 -2.577 56 HB3 ALA 11 3HB ALA 11 14.552 2.661 -3.891 57 H LEU 12 H LEU 12 11.501 3.933 -1.698 58 HA LEU 12 HA LEU 12 9.583 2.025 -2.541 59 HB2 LEU 12 1HB LEU 12 10.196 2.479 -0.182 60 HB3 LEU 12 2HB LEU 12 9.371 4.032 -0.300 61 HG LEU 12 HG LEU 12 7.266 2.712 -0.824 62 HD11 LEU 12 1HD1 LEU 12 8.692 0.409 0.454 63 HD12 LEU 12 2HD1 LEU 12 8.674 0.609 -1.298 64 HD13 LEU 12 3HD1 LEU 12 7.158 0.427 -0.416 65 HD21 LEU 12 1HD2 LEU 12 8.281 3.613 1.506 66 HD22 LEU 12 2HD2 LEU 12 8.088 1.902 1.887 67 HD23 LEU 12 3HD2 LEU 12 6.699 2.849 1.353 68 H LEU 13 H LEU 13 9.310 5.539 -1.996 69 HA LEU 13 HA LEU 13 6.718 5.971 -2.722 70 HB2 LEU 13 1HB LEU 13 8.071 7.771 -1.937 71 HB3 LEU 13 2HB LEU 13 9.156 7.631 -3.318 72 HG LEU 13 HG LEU 13 7.198 8.332 -4.761 73 HD11 LEU 13 1HD1 LEU 13 5.204 8.832 -3.894 74 HD12 LEU 13 2HD1 LEU 13 5.912 9.693 -2.529 75 HD13 LEU 13 3HD1 LEU 13 5.742 7.939 -2.471 76 HD21 LEU 13 1HD2 LEU 13 8.680 10.039 -4.602 77 HD22 LEU 13 2HD2 LEU 13 8.701 10.007 -2.839 78 HD23 LEU 13 3HD2 LEU 13 7.359 10.770 -3.691 79 H LEU 14 H LEU 14 9.490 5.617 -4.899 80 HA LEU 14 HA LEU 14 8.121 6.138 -7.299 81 HB2 LEU 14 1HB LEU 14 10.470 6.196 -7.362 82 HB3 LEU 14 2HB LEU 14 10.610 4.592 -6.645 83 HG LEU 14 HG LEU 14 9.650 3.665 -8.773 84 HD11 LEU 14 1HD1 LEU 14 10.278 6.373 -9.918 85 HD12 LEU 14 2HD1 LEU 14 8.649 5.874 -9.466 86 HD13 LEU 14 3HD1 LEU 14 9.523 4.997 -10.721 87 HD21 LEU 14 1HD2 LEU 14 11.726 3.436 -9.678 88 HD22 LEU 14 2HD2 LEU 14 12.179 4.086 -8.102 89 HD23 LEU 14 3HD2 LEU 14 12.113 5.149 -9.508 90 H TRP 15 H TRP 15 8.724 3.122 -5.544 91 HA TRP 15 HA TRP 15 7.738 1.306 -7.391 92 HB2 TRP 15 1HB TRP 15 8.879 0.764 -5.217 93 HB3 TRP 15 2HB TRP 15 7.360 1.116 -4.398 94 HD1 TRP 15 HD TRP 15 8.746 -1.339 -7.055 95 HE1 TRP 15 1HE TRP 15 7.413 -3.534 -6.879 96 HE3 TRP 15 3HE TRP 15 5.334 0.064 -3.515 97 HZ2 TRP 15 2HZ TRP 15 5.208 -4.538 -5.431 98 HZ3 TRP 15 3HZ TRP 15 3.647 -1.572 -2.789 99 HH2 TRP 15 HH TRP 15 3.586 -3.825 -3.729 100 H CYS 16 H CYS 16 5.916 2.658 -4.633 101 HA CYS 16 HA CYS 16 3.428 1.672 -5.237 102 HB2 CYS 16 1HB CYS 16 3.920 4.456 -4.168 103 HB3 CYS 16 2HB CYS 16 2.502 3.449 -3.902 104 HG CYS 16 HG CYS 16 5.243 3.651 -2.127 105 H GLN 17 H GLN 17 5.053 4.463 -6.630 106 HA GLN 17 HA GLN 17 2.833 5.493 -8.043 107 HB2 GLN 17 1HB GLN 17 5.804 5.815 -8.279 108 HB3 GLN 17 2HB GLN 17 4.748 6.485 -9.515 109 HG2 GLN 17 1HG GLN 17 3.527 7.674 -7.658 110 HG3 GLN 17 2HG GLN 17 4.843 7.176 -6.595 111 HE21 GLN 17 1HE2 GLN 17 4.962 9.568 -6.376 112 HE22 GLN 17 2HE2 GLN 17 5.964 10.424 -7.494 113 H MET 18 H MET 18 5.192 3.008 -8.764 114 HA MET 18 HA MET 18 4.637 2.784 -11.534 115 HB2 MET 18 1HB MET 18 5.886 0.926 -9.521 116 HB3 MET 18 2HB MET 18 5.649 0.447 -11.196 117 HG2 MET 18 1HG MET 18 6.898 2.698 -11.687 118 HG3 MET 18 2HG MET 18 7.494 2.473 -10.044 119 HE1 MET 18 1HE MET 18 9.787 1.016 -9.646 120 HE2 MET 18 2HE MET 18 8.312 0.137 -9.242 121 HE3 MET 18 3HE MET 18 9.597 -0.665 -10.145 122 H LYS 19 H LYS 19 3.281 1.273 -8.657 123 HA LYS 19 HA LYS 19 1.613 -0.536 -10.151 124 HB2 LYS 19 1HB LYS 19 1.203 0.190 -7.263 125 HB3 LYS 19 2HB LYS 19 0.852 -1.330 -8.075 126 HG2 LYS 19 1HG LYS 19 3.556 -0.231 -7.352 127 HG3 LYS 19 2HG LYS 19 2.753 -1.647 -6.672 128 HD2 LYS 19 1HD LYS 19 2.749 -2.495 -9.132 129 HD3 LYS 19 2HD LYS 19 4.022 -1.293 -9.358 130 HE2 LYS 19 1HE LYS 19 5.423 -2.342 -7.768 131 HE3 LYS 19 2HE LYS 19 4.109 -3.353 -7.168 132 HZ1 LYS 19 1HZ LYS 19 4.934 -3.576 -9.981 133 HZ2 LYS 19 2HZ LYS 19 4.232 -4.740 -8.974 134 HZ3 LYS 19 3HZ LYS 19 5.862 -4.332 -8.785 135 H THR 20 H THR 20 1.027 2.355 -8.156 136 HA THR 20 HA THR 20 -1.739 2.510 -8.677 137 HB THR 20 HB THR 20 -1.591 4.833 -7.864 138 HG1 THR 20 1HG THR 20 1.209 4.398 -7.627 139 HG21 THR 20 1HG2 THR 20 0.093 2.933 -6.229 140 HG22 THR 20 2HG2 THR 20 -1.670 2.950 -6.266 141 HG23 THR 20 3HG2 THR 20 -0.787 4.337 -5.628 142 H ALA 21 H ALA 21 0.888 3.054 -10.699 143 HA ALA 21 HA ALA 21 0.207 5.242 -12.240 144 HB1 ALA 21 1HB ALA 21 2.156 3.384 -12.365 145 HB2 ALA 21 2HB ALA 21 1.176 2.907 -13.751 146 HB3 ALA 21 3HB ALA 21 1.821 4.545 -13.650 147 H GLY 22 H GLY 22 -1.417 5.724 -13.576 148 HA2 GLY 22 1HA GLY 22 -2.843 5.066 -15.435 149 HA3 GLY 22 2HA GLY 22 -3.040 3.505 -14.652 150 H TYR 23 H TYR 23 -3.669 4.157 -12.093 151 HA TYR 23 HA TYR 23 -6.394 4.716 -12.225 152 HB2 TYR 23 1HB TYR 23 -4.443 4.805 -9.927 153 HB3 TYR 23 2HB TYR 23 -6.166 5.090 -9.710 154 HD1 TYR 23 1HD TYR 23 -7.786 3.263 -10.181 155 HD2 TYR 23 2HD TYR 23 -3.583 2.605 -10.227 156 HE1 TYR 23 1HE TYR 23 -8.170 0.839 -10.010 157 HE2 TYR 23 2HE TYR 23 -3.954 0.179 -10.058 158 HH TYR 23 HH TYR 23 -6.251 -1.260 -9.007 159 HA PRO 24 HA PRO 24 -6.183 9.141 -12.795 160 HB2 PRO 24 1HB PRO 24 -8.869 9.509 -12.942 161 HB3 PRO 24 2HB PRO 24 -7.910 8.881 -14.287 162 HG2 PRO 24 1HG PRO 24 -9.581 7.395 -12.296 163 HG3 PRO 24 2HG PRO 24 -9.452 7.157 -14.048 164 HD2 PRO 24 1HD PRO 24 -8.153 5.587 -12.265 165 HD3 PRO 24 2HD PRO 24 -7.489 5.961 -13.867 166 H ASN 25 H ASN 25 -8.396 7.571 -10.502 167 HA ASN 25 HA ASN 25 -8.524 9.969 -8.867 168 HB2 ASN 25 1HB ASN 25 -9.841 7.264 -8.719 169 HB3 ASN 25 2HB ASN 25 -9.946 8.411 -7.387 170 HD21 ASN 25 1HD2 ASN 25 -11.217 10.205 -7.579 171 HD22 ASN 25 2HD2 ASN 25 -12.302 10.461 -8.899 172 H VAL 26 H VAL 26 -5.992 8.444 -9.245 173 HA VAL 26 HA VAL 26 -5.332 8.193 -6.404 174 HB VAL 26 HB VAL 26 -4.454 6.146 -8.444 175 HG11 VAL 26 1HG1 VAL 26 -3.250 5.116 -6.786 176 HG12 VAL 26 2HG1 VAL 26 -3.058 6.807 -6.317 177 HG13 VAL 26 3HG1 VAL 26 -4.243 5.792 -5.494 178 HG21 VAL 26 1HG2 VAL 26 -6.870 5.996 -7.917 179 HG22 VAL 26 2HG2 VAL 26 -5.955 4.589 -7.374 180 HG23 VAL 26 3HG2 VAL 26 -6.457 5.818 -6.211 181 H ASN 27 H ASN 27 -3.284 8.847 -5.872 182 HA ASN 27 HA ASN 27 -1.246 9.255 -7.851 183 HB2 ASN 27 1HB ASN 27 -2.464 11.694 -6.537 184 HB3 ASN 27 2HB ASN 27 -1.075 11.681 -7.619 185 HD21 ASN 27 1HD2 ASN 27 -4.416 11.937 -7.383 186 HD22 ASN 27 2HD2 ASN 27 -4.797 11.852 -9.065 187 H VAL 28 H VAL 28 0.542 8.664 -6.835 188 HA VAL 28 HA VAL 28 0.727 8.997 -3.932 189 HB VAL 28 HB VAL 28 2.637 7.481 -5.705 190 HG11 VAL 28 1HG1 VAL 28 3.679 6.833 -3.828 191 HG12 VAL 28 2HG1 VAL 28 2.885 8.228 -3.095 192 HG13 VAL 28 3HG1 VAL 28 2.168 6.623 -2.945 193 HG21 VAL 28 1HG2 VAL 28 1.278 5.701 -5.799 194 HG22 VAL 28 2HG2 VAL 28 0.718 5.919 -4.141 195 HG23 VAL 28 3HG2 VAL 28 -0.010 6.853 -5.449 196 H HIS 29 H HIS 29 1.355 11.084 -3.589 197 HA HIS 29 HA HIS 29 3.877 11.936 -4.854 198 HB2 HIS 29 1HB HIS 29 1.878 13.330 -5.404 199 HB3 HIS 29 2HB HIS 29 1.720 13.711 -3.692 200 HD1 HIS 29 1HD HIS 29 4.684 13.824 -6.091 201 HD2 HIS 29 2HD HIS 29 2.697 16.192 -3.315 202 HE1 HIS 29 1HE HIS 29 5.964 15.987 -6.014 203 HE2 HIS 29 2HE HIS 29 4.793 17.371 -4.265 204 H ASN 30 H ASN 30 2.048 11.752 -1.853 205 HA ASN 30 HA ASN 30 4.564 12.158 -0.383 206 HB2 ASN 30 1HB ASN 30 2.844 13.095 1.433 207 HB3 ASN 30 2HB ASN 30 3.582 14.137 0.220 208 HD21 ASN 30 1HD2 ASN 30 0.769 12.023 0.652 209 HD22 ASN 30 2HD2 ASN 30 -0.344 13.050 -0.180 210 H PHE 31 H PHE 31 4.250 11.411 1.989 211 HA PHE 31 HA PHE 31 2.901 8.798 1.905 212 HB2 PHE 31 1HB PHE 31 5.372 9.760 3.322 213 HB3 PHE 31 2HB PHE 31 4.514 8.326 3.876 214 HD1 PHE 31 2HD PHE 31 4.075 6.495 2.099 215 HD2 PHE 31 1HD PHE 31 6.985 9.573 1.682 216 HE1 PHE 31 2HE PHE 31 5.268 5.137 0.431 217 HE2 PHE 31 1HE PHE 31 8.182 8.220 0.013 218 HZ PHE 31 HZ PHE 31 7.324 5.998 -0.614 219 H THR 32 H THR 32 1.739 11.441 2.637 220 HA THR 32 HA THR 32 0.794 10.693 5.323 221 HB THR 32 HB THR 32 0.608 13.049 5.937 222 HG1 THR 32 1HG THR 32 1.875 14.496 4.394 223 HG21 THR 32 1HG2 THR 32 3.390 12.467 4.919 224 HG22 THR 32 2HG2 THR 32 2.712 11.794 6.401 225 HG23 THR 32 3HG2 THR 32 2.945 13.535 6.248 226 H THR 33 H THR 33 -0.014 13.137 2.853 227 HA THR 33 HA THR 33 -2.843 12.564 3.234 228 HB THR 33 HB THR 33 -3.253 14.516 1.816 229 HG1 THR 33 1HG THR 33 -1.359 15.737 1.138 230 HG21 THR 33 1HG2 THR 33 -1.308 15.883 3.383 231 HG22 THR 33 2HG2 THR 33 -1.931 14.530 4.329 232 HG23 THR 33 3HG2 THR 33 -3.041 15.732 3.669 233 H SER 34 H SER 34 -1.116 10.599 1.923 234 HA SER 34 HA SER 34 -2.399 10.546 -0.731 235 HB2 SER 34 1HB SER 34 0.093 10.787 -0.791 236 HB3 SER 34 2HB SER 34 0.219 9.229 0.027 237 HG SER 34 HG SER 34 -1.326 9.382 -2.296 238 H TRP 35 H TRP 35 -1.906 8.951 2.264 239 HA TRP 35 HA TRP 35 -3.296 6.564 1.236 240 HB2 TRP 35 1HB TRP 35 -1.570 6.624 3.709 241 HB3 TRP 35 2HB TRP 35 -2.167 5.216 2.835 242 HD1 TRP 35 HD TRP 35 0.339 8.126 2.338 243 HE1 TRP 35 1HE TRP 35 2.219 7.300 0.785 244 HE3 TRP 35 3HE TRP 35 -1.507 3.491 1.224 245 HZ2 TRP 35 2HZ TRP 35 2.836 4.989 -0.714 246 HZ3 TRP 35 3HZ TRP 35 -0.212 2.035 -0.278 247 HH2 TRP 35 HH TRP 35 1.915 2.770 -1.226 248 H ARG 36 H ARG 36 -3.795 9.309 2.909 249 HA ARG 36 HA ARG 36 -5.071 8.613 5.272 250 HB2 ARG 36 1HB ARG 36 -4.544 10.939 4.444 251 HB3 ARG 36 2HB ARG 36 -5.967 10.821 3.419 252 HG2 ARG 36 1HG ARG 36 -7.152 10.233 5.692 253 HG3 ARG 36 2HG ARG 36 -5.770 11.096 6.371 254 HD2 ARG 36 1HD ARG 36 -7.680 12.586 6.003 255 HD3 ARG 36 2HD ARG 36 -6.294 13.043 5.013 256 HE ARG 36 HE ARG 36 -7.886 11.364 3.476 257 HH11 ARG 36 1HH1 ARG 36 -8.109 14.490 4.992 258 HH12 ARG 36 2HH1 ARG 36 -9.220 15.122 3.821 259 HH21 ARG 36 1HH2 ARG 36 -9.348 12.184 1.930 260 HH22 ARG 36 2HH2 ARG 36 -9.925 13.810 2.082 261 H ASP 37 H ASP 37 -6.590 9.145 2.087 262 HA ASP 37 HA ASP 37 -9.167 8.343 2.831 263 HB2 ASP 37 1HB ASP 37 -8.829 9.569 0.786 264 HB3 ASP 37 2HB ASP 37 -7.793 8.299 0.140 265 H GLY 38 H GLY 38 -6.805 6.473 0.907 266 HA2 GLY 38 1HA GLY 38 -6.408 4.170 1.945 267 HA3 GLY 38 2HA GLY 38 -8.155 4.022 1.836 268 H LEU 39 H LEU 39 -8.419 5.344 -0.701 269 HA LEU 39 HA LEU 39 -8.531 3.382 -2.499 270 HB2 LEU 39 1HB LEU 39 -7.662 6.224 -2.935 271 HB3 LEU 39 2HB LEU 39 -7.922 5.110 -4.275 272 HG LEU 39 HG LEU 39 -10.002 6.002 -2.279 273 HD11 LEU 39 1HD1 LEU 39 -9.370 7.758 -3.847 274 HD12 LEU 39 2HD1 LEU 39 -10.995 7.163 -4.181 275 HD13 LEU 39 3HD1 LEU 39 -9.646 6.660 -5.200 276 HD21 LEU 39 1HD2 LEU 39 -10.460 3.747 -2.972 277 HD22 LEU 39 2HD2 LEU 39 -10.176 4.163 -4.663 278 HD23 LEU 39 3HD2 LEU 39 -11.568 4.832 -3.811 279 H ALA 40 H ALA 40 -5.584 5.294 -1.937 280 HA ALA 40 HA ALA 40 -3.885 4.193 -3.775 281 HB1 ALA 40 1HB ALA 40 -2.397 4.432 -1.378 282 HB2 ALA 40 2HB ALA 40 -2.492 5.563 -2.729 283 HB3 ALA 40 3HB ALA 40 -3.619 5.704 -1.380 284 H PHE 41 H PHE 41 -4.348 2.990 -0.446 285 HA PHE 41 HA PHE 41 -2.730 0.734 -0.657 286 HB2 PHE 41 1HB PHE 41 -5.107 1.389 1.065 287 HB3 PHE 41 2HB PHE 41 -4.317 -0.181 1.175 288 HD1 PHE 41 1HD PHE 41 -1.551 0.252 1.095 289 HD2 PHE 41 2HD PHE 41 -4.539 2.753 2.808 290 HE1 PHE 41 1HE PHE 41 0.126 1.201 2.624 291 HE2 PHE 41 2HE PHE 41 -2.867 3.706 4.339 292 HZ PHE 41 HZ PHE 41 -0.531 2.932 4.249 293 H ASN 42 H ASN 42 -6.193 1.105 -1.324 294 HA ASN 42 HA ASN 42 -6.603 -1.627 -2.013 295 HB2 ASN 42 1HB ASN 42 -8.254 0.809 -2.724 296 HB3 ASN 42 2HB ASN 42 -8.780 -0.866 -2.867 297 HD21 ASN 42 1HD2 ASN 42 -8.403 1.820 -0.810 298 HD22 ASN 42 2HD2 ASN 42 -8.994 1.087 0.639 299 H ALA 43 H ALA 43 -4.783 0.615 -3.515 300 HA ALA 43 HA ALA 43 -5.518 -0.156 -6.242 301 HB1 ALA 43 1HB ALA 43 -3.251 1.671 -5.883 302 HB2 ALA 43 2HB ALA 43 -4.662 1.799 -6.936 303 HB3 ALA 43 3HB ALA 43 -4.785 2.258 -5.238 304 H ILE 44 H ILE 44 -2.885 -0.392 -3.920 305 HA ILE 44 HA ILE 44 -0.936 -1.473 -5.634 306 HB ILE 44 HB ILE 44 -1.290 -1.907 -2.666 307 HG12 ILE 44 1HG1 ILE 44 0.576 0.003 -4.073 308 HG13 ILE 44 2HG1 ILE 44 -1.025 0.474 -3.515 309 HG21 ILE 44 1HG2 ILE 44 1.281 -2.245 -2.908 310 HG22 ILE 44 2HG2 ILE 44 0.182 -3.580 -3.253 311 HG23 ILE 44 3HG2 ILE 44 0.879 -2.647 -4.578 312 HD11 ILE 44 1HD1 ILE 44 0.758 1.103 -1.953 313 HD12 ILE 44 2HD1 ILE 44 -0.408 -0.009 -1.234 314 HD13 ILE 44 3HD1 ILE 44 1.168 -0.601 -1.760 315 H VAL 45 H VAL 45 -3.344 -3.044 -3.549 316 HA VAL 45 HA VAL 45 -2.560 -5.695 -4.214 317 HB VAL 45 HB VAL 45 -5.199 -4.716 -3.117 318 HG11 VAL 45 1HG1 VAL 45 -4.515 -7.347 -2.278 319 HG12 VAL 45 2HG1 VAL 45 -5.906 -6.818 -3.226 320 HG13 VAL 45 3HG1 VAL 45 -4.407 -7.276 -4.036 321 HG21 VAL 45 1HG2 VAL 45 -3.347 -4.078 -1.683 322 HG22 VAL 45 2HG2 VAL 45 -4.280 -5.373 -0.931 323 HG23 VAL 45 3HG2 VAL 45 -2.735 -5.732 -1.703 324 H HIS 46 H HIS 46 -5.499 -3.870 -5.096 325 HA HIS 46 HA HIS 46 -6.710 -5.516 -6.838 326 HB2 HIS 46 1HB HIS 46 -7.428 -3.183 -6.294 327 HB3 HIS 46 2HB HIS 46 -6.235 -2.593 -7.446 328 HD1 HIS 46 1HD HIS 46 -6.693 -3.123 -9.985 329 HD2 HIS 46 2HD HIS 46 -9.793 -4.086 -7.392 330 HE1 HIS 46 1HE HIS 46 -8.709 -3.470 -11.447 331 HE2 HIS 46 2HE HIS 46 -10.593 -3.967 -9.850 332 H LYS 47 H LYS 47 -3.865 -3.545 -7.583 333 HA LYS 47 HA LYS 47 -3.665 -4.123 -10.306 334 HB2 LYS 47 1HB LYS 47 -2.339 -2.428 -8.917 335 HB3 LYS 47 2HB LYS 47 -1.284 -3.769 -8.494 336 HG2 LYS 47 1HG LYS 47 -0.184 -2.824 -10.279 337 HG3 LYS 47 2HG LYS 47 -1.105 -4.113 -11.056 338 HD2 LYS 47 1HD LYS 47 -2.715 -2.598 -11.884 339 HD3 LYS 47 2HD LYS 47 -2.146 -1.300 -10.832 340 HE2 LYS 47 1HE LYS 47 -0.347 -0.826 -12.163 341 HE3 LYS 47 2HE LYS 47 -0.225 -2.475 -12.772 342 HZ1 LYS 47 1HZ LYS 47 -1.980 -2.120 -14.262 343 HZ2 LYS 47 2HZ LYS 47 -1.026 -0.730 -14.386 344 HZ3 LYS 47 3HZ LYS 47 -2.468 -0.688 -13.504 345 H HIS 48 H HIS 48 -2.271 -5.812 -7.511 346 HA HIS 48 HA HIS 48 -1.027 -7.833 -9.114 347 HB2 HIS 48 1HB HIS 48 -1.638 -7.996 -6.162 348 HB3 HIS 48 2HB HIS 48 -0.380 -8.850 -7.051 349 HD1 HIS 48 1HD HIS 48 1.071 -6.664 -8.483 350 HD2 HIS 48 2HD HIS 48 -0.332 -6.229 -4.596 351 HE1 HIS 48 1HE HIS 48 2.463 -4.832 -7.467 352 HE2 HIS 48 2HE HIS 48 1.654 -4.645 -5.089 353 H ARG 49 H ARG 49 -3.770 -7.899 -6.833 354 HA ARG 49 HA ARG 49 -4.919 -10.087 -8.429 355 HB2 ARG 49 1HB ARG 49 -5.001 -9.904 -5.413 356 HB3 ARG 49 2HB ARG 49 -5.678 -11.190 -6.402 357 HG2 ARG 49 1HG ARG 49 -2.763 -10.586 -6.575 358 HG3 ARG 49 2HG ARG 49 -3.388 -11.512 -5.210 359 HD2 ARG 49 1HD ARG 49 -4.016 -12.234 -8.058 360 HD3 ARG 49 2HD ARG 49 -2.568 -12.821 -7.241 361 HE ARG 49 HE ARG 49 -5.284 -13.679 -6.800 362 HH11 ARG 49 1HH1 ARG 49 -2.067 -13.496 -5.482 363 HH12 ARG 49 2HH1 ARG 49 -2.298 -14.821 -4.391 364 HH21 ARG 49 1HH2 ARG 49 -5.601 -15.425 -5.366 365 HH22 ARG 49 2HH2 ARG 49 -4.308 -15.918 -4.326 366 HA PRO 50 HA PRO 50 -8.026 -6.735 -8.199 367 HB2 PRO 50 1HB PRO 50 -9.128 -7.316 -10.611 368 HB3 PRO 50 2HB PRO 50 -7.687 -6.309 -10.431 369 HG2 PRO 50 1HG PRO 50 -7.896 -9.208 -11.151 370 HG3 PRO 50 2HG PRO 50 -6.860 -7.953 -11.854 371 HD2 PRO 50 1HD PRO 50 -5.949 -9.749 -10.043 372 HD3 PRO 50 2HD PRO 50 -5.317 -8.093 -10.146 373 H ASP 51 H ASP 51 -8.081 -10.031 -7.940 374 HA ASP 51 HA ASP 51 -10.927 -10.437 -8.206 375 HB2 ASP 51 1HB ASP 51 -8.630 -12.174 -7.336 376 HB3 ASP 51 2HB ASP 51 -10.298 -12.701 -7.132 377 H LEU 52 H LEU 52 -8.587 -10.107 -5.579 378 HA LEU 52 HA LEU 52 -10.180 -10.722 -3.409 379 HB2 LEU 52 1HB LEU 52 -8.155 -8.495 -3.504 380 HB3 LEU 52 2HB LEU 52 -8.697 -9.375 -2.077 381 HG LEU 52 HG LEU 52 -7.024 -10.466 -4.339 382 HD11 LEU 52 1HD1 LEU 52 -5.659 -10.832 -2.006 383 HD12 LEU 52 2HD1 LEU 52 -6.433 -9.270 -1.738 384 HD13 LEU 52 3HD1 LEU 52 -5.394 -9.510 -3.143 385 HD21 LEU 52 1HD2 LEU 52 -6.905 -12.343 -2.421 386 HD22 LEU 52 2HD2 LEU 52 -8.053 -12.391 -3.758 387 HD23 LEU 52 3HD2 LEU 52 -8.557 -11.775 -2.184 388 H LEU 53 H LEU 53 -9.641 -7.468 -4.769 389 HA LEU 53 HA LEU 53 -12.293 -6.709 -3.738 390 HB2 LEU 53 1HB LEU 53 -11.469 -4.499 -3.250 391 HB3 LEU 53 2HB LEU 53 -10.497 -5.699 -2.403 392 HG LEU 53 HG LEU 53 -9.549 -4.607 -5.020 393 HD11 LEU 53 1HD1 LEU 53 -9.043 -3.265 -2.374 394 HD12 LEU 53 2HD1 LEU 53 -10.214 -2.687 -3.559 395 HD13 LEU 53 3HD1 LEU 53 -8.500 -2.746 -3.970 396 HD21 LEU 53 1HD2 LEU 53 -7.946 -6.063 -4.470 397 HD22 LEU 53 2HD2 LEU 53 -8.504 -6.186 -2.801 398 HD23 LEU 53 3HD2 LEU 53 -7.443 -4.860 -3.282 399 H ASP 54 H ASP 54 -13.063 -4.617 -4.853 400 HA ASP 54 HA ASP 54 -12.354 -4.701 -7.710 401 HB2 ASP 54 1HB ASP 54 -15.077 -4.696 -6.431 402 HB3 ASP 54 2HB ASP 54 -14.839 -4.103 -8.072 403 H PHE 55 H PHE 55 -11.174 -2.860 -7.839 404 HA PHE 55 HA PHE 55 -11.494 -0.510 -6.437 405 HB2 PHE 55 1HB PHE 55 -9.701 -1.304 -8.223 406 HB3 PHE 55 2HB PHE 55 -10.689 -0.329 -9.305 407 HD1 PHE 55 2HD PHE 55 -10.912 2.087 -8.944 408 HD2 PHE 55 1HD PHE 55 -8.325 -0.303 -6.552 409 HE1 PHE 55 2HE PHE 55 -9.759 4.117 -8.168 410 HE2 PHE 55 1HE PHE 55 -7.170 1.724 -5.771 411 HZ PHE 55 HZ PHE 55 -7.885 3.937 -6.580 412 H GLU 56 H GLU 56 -12.878 -1.332 -9.609 413 HA GLU 56 HA GLU 56 -14.232 1.051 -10.081 414 HB2 GLU 56 1HB GLU 56 -14.923 -1.775 -10.894 415 HB3 GLU 56 2HB GLU 56 -15.761 -0.356 -11.505 416 HG2 GLU 56 1HG GLU 56 -13.665 0.478 -12.444 417 HG3 GLU 56 2HG GLU 56 -12.831 -0.955 -11.843 418 H SER 57 H SER 57 -14.925 -1.491 -7.858 419 HA SER 57 HA SER 57 -17.690 -0.685 -7.480 420 HB2 SER 57 1HB SER 57 -16.710 -3.099 -7.311 421 HB3 SER 57 2HB SER 57 -16.237 -2.605 -5.685 422 HG SER 57 HG SER 57 -18.641 -1.859 -5.729 423 H LEU 58 H LEU 58 -14.589 -0.413 -5.846 424 HA LEU 58 HA LEU 58 -15.407 0.517 -3.364 425 HB2 LEU 58 1HB LEU 58 -12.981 1.317 -4.964 426 HB3 LEU 58 2HB LEU 58 -13.207 1.630 -3.244 427 HG LEU 58 HG LEU 58 -13.009 -1.103 -4.508 428 HD11 LEU 58 1HD1 LEU 58 -10.989 0.773 -3.850 429 HD12 LEU 58 2HD1 LEU 58 -10.808 -0.891 -4.404 430 HD13 LEU 58 3HD1 LEU 58 -10.915 -0.543 -2.678 431 HD21 LEU 58 1HD2 LEU 58 -14.383 -1.099 -2.502 432 HD22 LEU 58 2HD2 LEU 58 -13.120 -0.241 -1.619 433 HD23 LEU 58 3HD2 LEU 58 -12.835 -1.886 -2.192 434 H LYS 59 H LYS 59 -15.240 2.745 -2.510 435 HA LYS 59 HA LYS 59 -15.893 4.831 -4.458 436 HB2 LYS 59 1HB LYS 59 -17.626 3.908 -2.188 437 HB3 LYS 59 2HB LYS 59 -17.686 5.584 -2.720 438 HG2 LYS 59 1HG LYS 59 -18.044 3.313 -4.644 439 HG3 LYS 59 2HG LYS 59 -19.389 3.956 -3.700 440 HD2 LYS 59 1HD LYS 59 -17.624 5.720 -5.376 441 HD3 LYS 59 2HD LYS 59 -19.043 4.909 -6.043 442 HE2 LYS 59 1HE LYS 59 -20.252 5.976 -3.986 443 HE3 LYS 59 2HE LYS 59 -18.877 7.080 -3.998 444 HZ1 LYS 59 1HZ LYS 59 -19.935 6.753 -6.610 445 HZ2 LYS 59 2HZ LYS 59 -19.740 8.169 -5.708 446 HZ3 LYS 59 3HZ LYS 59 -21.150 7.250 -5.543 447 H LYS 60 H LYS 60 -15.563 6.978 -3.693 448 HA LYS 60 HA LYS 60 -13.608 7.101 -1.513 449 HB2 LYS 60 1HB LYS 60 -13.137 9.393 -2.462 450 HB3 LYS 60 2HB LYS 60 -12.761 8.044 -3.524 451 HG2 LYS 60 1HG LYS 60 -15.443 9.289 -3.765 452 HG3 LYS 60 2HG LYS 60 -14.050 10.185 -4.376 453 HD2 LYS 60 1HD LYS 60 -14.341 7.311 -5.111 454 HD3 LYS 60 2HD LYS 60 -15.370 8.500 -5.913 455 HE2 LYS 60 1HE LYS 60 -13.493 9.678 -6.762 456 HE3 LYS 60 2HE LYS 60 -12.378 8.776 -5.736 457 HZ1 LYS 60 1HZ LYS 60 -12.190 7.229 -7.290 458 HZ2 LYS 60 2HZ LYS 60 -13.129 8.177 -8.329 459 HZ3 LYS 60 3HZ LYS 60 -13.865 7.001 -7.361 460 H CYS 61 H CYS 61 -16.089 6.767 -0.528 461 HA CYS 61 HA CYS 61 -16.896 9.459 0.357 462 HB2 CYS 61 1HB CYS 61 -18.593 8.072 -0.934 463 HB3 CYS 61 2HB CYS 61 -18.625 6.988 0.452 464 HG CYS 61 HG CYS 61 -20.804 8.981 0.197 465 H ASN 62 H ASN 62 -16.544 6.085 1.407 466 HA ASN 62 HA ASN 62 -16.271 7.056 4.174 467 HB2 ASN 62 1HB ASN 62 -18.145 5.386 3.521 468 HB3 ASN 62 2HB ASN 62 -16.849 4.196 3.452 469 HD21 ASN 62 1HD2 ASN 62 -18.020 6.776 5.590 470 HD22 ASN 62 2HD2 ASN 62 -17.807 5.887 7.056 471 H ALA 63 H ALA 63 -14.064 7.505 4.060 472 HA ALA 63 HA ALA 63 -12.071 5.887 2.999 473 HB1 ALA 63 1HB ALA 63 -11.012 7.127 5.309 474 HB2 ALA 63 2HB ALA 63 -10.871 7.641 3.627 475 HB3 ALA 63 3HB ALA 63 -12.208 8.225 4.617 476 H HIS 64 H HIS 64 -13.073 6.083 6.421 477 HA HIS 64 HA HIS 64 -11.531 4.206 7.585 478 HB2 HIS 64 1HB HIS 64 -13.402 5.512 8.663 479 HB3 HIS 64 2HB HIS 64 -14.516 4.299 8.038 480 HD1 HIS 64 1HD HIS 64 -11.228 4.062 9.958 481 HD2 HIS 64 2HD HIS 64 -15.118 2.604 10.041 482 HE1 HIS 64 1HE HIS 64 -11.320 2.502 11.928 483 HE2 HIS 64 2HE HIS 64 -13.658 1.566 11.908 484 H TYR 65 H TYR 65 -14.269 3.572 5.465 485 HA TYR 65 HA TYR 65 -14.199 0.731 5.848 486 HB2 TYR 65 1HB TYR 65 -16.293 1.722 5.225 487 HB3 TYR 65 2HB TYR 65 -15.578 2.481 3.806 488 HD1 TYR 65 2HD TYR 65 -14.673 0.922 1.972 489 HD2 TYR 65 1HD TYR 65 -17.299 -0.379 5.058 490 HE1 TYR 65 2HE TYR 65 -15.299 -1.028 0.610 491 HE2 TYR 65 1HE TYR 65 -17.930 -2.334 3.704 492 HH TYR 65 HH TYR 65 -17.382 -2.594 0.484 493 H ASN 66 H ASN 66 -12.904 3.000 3.489 494 HA ASN 66 HA ASN 66 -12.009 1.044 1.634 495 HB2 ASN 66 1HB ASN 66 -11.141 3.907 2.087 496 HB3 ASN 66 2HB ASN 66 -10.606 2.915 0.734 497 HD21 ASN 66 1HD2 ASN 66 -12.398 5.389 1.178 498 HD22 ASN 66 2HD2 ASN 66 -13.766 5.060 0.174 499 H LEU 67 H LEU 67 -10.623 2.502 4.496 500 HA LEU 67 HA LEU 67 -7.976 1.482 4.024 501 HB2 LEU 67 1HB LEU 67 -9.262 2.662 6.481 502 HB3 LEU 67 2HB LEU 67 -7.558 2.229 6.357 503 HG LEU 67 HG LEU 67 -8.802 4.215 4.481 504 HD11 LEU 67 1HD1 LEU 67 -9.012 4.675 7.083 505 HD12 LEU 67 2HD1 LEU 67 -8.600 5.949 5.936 506 HD13 LEU 67 3HD1 LEU 67 -7.330 5.164 6.875 507 HD21 LEU 67 1HD2 LEU 67 -5.992 4.192 5.500 508 HD22 LEU 67 2HD2 LEU 67 -6.630 4.828 3.984 509 HD23 LEU 67 3HD2 LEU 67 -6.476 3.086 4.215 510 H GLN 68 H GLN 68 -10.258 0.854 6.696 511 HA GLN 68 HA GLN 68 -9.107 -1.357 7.781 512 HB2 GLN 68 1HB GLN 68 -11.234 -1.946 8.686 513 HB3 GLN 68 2HB GLN 68 -11.185 -0.192 8.581 514 HG2 GLN 68 1HG GLN 68 -12.385 -0.491 6.335 515 HG3 GLN 68 2HG GLN 68 -12.715 -2.131 6.892 516 HE21 GLN 68 1HE2 GLN 68 -14.755 -2.214 7.500 517 HE22 GLN 68 2HE2 GLN 68 -15.561 -1.067 8.510 518 H ASN 69 H ASN 69 -11.294 -1.298 4.990 519 HA ASN 69 HA ASN 69 -11.549 -4.029 4.571 520 HB2 ASN 69 1HB ASN 69 -12.902 -2.469 3.327 521 HB3 ASN 69 2HB ASN 69 -11.476 -1.763 2.571 522 HD21 ASN 69 1HD2 ASN 69 -10.191 -3.208 1.195 523 HD22 ASN 69 2HD2 ASN 69 -11.020 -4.403 0.262 524 H ALA 70 H ALA 70 -9.158 -1.815 3.126 525 HA ALA 70 HA ALA 70 -7.716 -3.745 1.706 526 HB1 ALA 70 1HB ALA 70 -6.102 -1.546 2.765 527 HB2 ALA 70 2HB ALA 70 -6.414 -2.028 1.096 528 HB3 ALA 70 3HB ALA 70 -7.585 -1.032 1.960 529 H PHE 71 H PHE 71 -7.096 -2.378 4.936 530 HA PHE 71 HA PHE 71 -4.793 -3.789 5.551 531 HB2 PHE 71 1HB PHE 71 -7.029 -2.826 7.339 532 HB3 PHE 71 2HB PHE 71 -5.524 -3.502 7.956 533 HD1 PHE 71 2HD PHE 71 -3.541 -2.339 6.147 534 HD2 PHE 71 1HD PHE 71 -6.990 -0.591 7.926 535 HE1 PHE 71 2HE PHE 71 -2.486 -0.121 6.003 536 HE2 PHE 71 1HE PHE 71 -5.941 1.631 7.785 537 HZ PHE 71 HZ PHE 71 -3.686 1.867 6.824 538 H ASN 72 H ASN 72 -8.174 -4.710 6.138 539 HA ASN 72 HA ASN 72 -7.654 -7.155 7.410 540 HB2 ASN 72 1HB ASN 72 -10.037 -6.339 5.732 541 HB3 ASN 72 2HB ASN 72 -9.983 -7.741 6.797 542 HD21 ASN 72 1HD2 ASN 72 -11.388 -4.965 6.651 543 HD22 ASN 72 2HD2 ASN 72 -11.313 -4.423 8.289 544 H LEU 73 H LEU 73 -8.316 -6.436 3.990 545 HA LEU 73 HA LEU 73 -8.226 -9.035 3.006 546 HB2 LEU 73 1HB LEU 73 -7.651 -6.354 1.822 547 HB3 LEU 73 2HB LEU 73 -7.331 -7.811 0.882 548 HG LEU 73 HG LEU 73 -10.009 -6.972 1.993 549 HD11 LEU 73 1HD1 LEU 73 -8.862 -6.921 -0.791 550 HD12 LEU 73 2HD1 LEU 73 -9.412 -5.550 0.172 551 HD13 LEU 73 3HD1 LEU 73 -10.577 -6.732 -0.424 552 HD21 LEU 73 1HD2 LEU 73 -9.008 -9.511 1.061 553 HD22 LEU 73 2HD2 LEU 73 -10.321 -8.931 0.034 554 HD23 LEU 73 3HD2 LEU 73 -10.573 -9.110 1.771 555 H ALA 74 H ALA 74 -5.589 -6.690 3.403 556 HA ALA 74 HA ALA 74 -3.575 -8.446 2.401 557 HB1 ALA 74 1HB ALA 74 -2.840 -6.310 2.194 558 HB2 ALA 74 2HB ALA 74 -3.639 -5.773 3.672 559 HB3 ALA 74 3HB ALA 74 -2.125 -6.675 3.765 560 H GLU 75 H GLU 75 -4.929 -7.783 5.559 561 HA GLU 75 HA GLU 75 -2.869 -9.180 6.998 562 HB2 GLU 75 1HB GLU 75 -4.388 -7.293 7.872 563 HB3 GLU 75 2HB GLU 75 -5.611 -8.541 8.061 564 HG2 GLU 75 1HG GLU 75 -3.667 -9.761 9.358 565 HG3 GLU 75 2HG GLU 75 -3.093 -8.108 9.566 566 H LYS 76 H LYS 76 -5.516 -10.128 5.154 567 HA LYS 76 HA LYS 76 -5.666 -12.727 6.534 568 HB2 LYS 76 1HB LYS 76 -7.787 -11.364 6.380 569 HB3 LYS 76 2HB LYS 76 -7.715 -11.579 4.636 570 HG2 LYS 76 1HG LYS 76 -9.209 -13.208 5.441 571 HG3 LYS 76 2HG LYS 76 -7.714 -14.064 5.062 572 HD2 LYS 76 1HD LYS 76 -8.425 -14.905 7.150 573 HD3 LYS 76 2HD LYS 76 -7.102 -13.794 7.508 574 HE2 LYS 76 1HE LYS 76 -9.886 -12.740 7.505 575 HE3 LYS 76 2HE LYS 76 -9.364 -13.731 8.866 576 HZ1 LYS 76 1HZ LYS 76 -8.670 -11.747 9.636 577 HZ2 LYS 76 2HZ LYS 76 -8.541 -11.051 8.100 578 HZ3 LYS 76 3HZ LYS 76 -7.313 -12.062 8.676 579 H GLU 77 H GLU 77 -6.182 -11.426 3.248 580 HA GLU 77 HA GLU 77 -5.665 -13.810 1.895 581 HB2 GLU 77 1HB GLU 77 -5.175 -11.002 0.887 582 HB3 GLU 77 2HB GLU 77 -5.390 -12.440 -0.101 583 HG2 GLU 77 1HG GLU 77 -7.502 -11.447 1.785 584 HG3 GLU 77 2HG GLU 77 -7.378 -10.897 0.115 585 H LEU 78 H LEU 78 -3.475 -11.007 2.210 586 HA LEU 78 HA LEU 78 -1.214 -12.485 1.285 587 HB2 LEU 78 1HB LEU 78 -1.155 -9.895 2.811 588 HB3 LEU 78 2HB LEU 78 0.047 -10.514 1.681 589 HG LEU 78 HG LEU 78 -2.737 -9.690 0.870 590 HD11 LEU 78 1HD1 LEU 78 -1.919 -7.585 0.237 591 HD12 LEU 78 2HD1 LEU 78 -0.241 -8.070 0.472 592 HD13 LEU 78 3HD1 LEU 78 -1.297 -7.846 1.867 593 HD21 LEU 78 1HD2 LEU 78 -0.249 -10.506 -0.591 594 HD22 LEU 78 2HD2 LEU 78 -1.475 -9.498 -1.362 595 HD23 LEU 78 3HD2 LEU 78 -1.897 -11.107 -0.776 596 H GLY 79 H GLY 79 -2.412 -11.483 4.456 597 HA2 GLY 79 1HA GLY 79 -2.058 -12.631 6.467 598 HA3 GLY 79 2HA GLY 79 -0.783 -13.556 5.689 599 H LEU 80 H LEU 80 -1.205 -10.041 5.951 600 HA LEU 80 HA LEU 80 1.480 -9.895 7.122 601 HB2 LEU 80 1HB LEU 80 -0.230 -7.838 5.742 602 HB3 LEU 80 2HB LEU 80 1.301 -7.461 6.531 603 HG LEU 80 HG LEU 80 1.164 -9.508 4.344 604 HD11 LEU 80 1HD1 LEU 80 1.443 -6.525 4.003 605 HD12 LEU 80 2HD1 LEU 80 0.114 -7.528 3.423 606 HD13 LEU 80 3HD1 LEU 80 1.730 -7.730 2.746 607 HD21 LEU 80 1HD2 LEU 80 3.170 -8.743 6.016 608 HD22 LEU 80 2HD2 LEU 80 3.451 -7.695 4.625 609 HD23 LEU 80 3HD2 LEU 80 3.405 -9.447 4.416 610 H THR 81 H THR 81 1.862 -8.284 8.815 611 HA THR 81 HA THR 81 -0.320 -8.316 10.755 612 HB THR 81 HB THR 81 2.574 -7.524 11.138 613 HG1 THR 81 1HG THR 81 2.543 -9.622 12.288 614 HG21 THR 81 1HG2 THR 81 1.649 -6.536 12.961 615 HG22 THR 81 2HG2 THR 81 1.694 -8.183 13.589 616 HG23 THR 81 3HG2 THR 81 0.202 -7.541 12.904 617 H LYS 82 H LYS 82 -1.639 -6.625 10.792 618 HA LYS 82 HA LYS 82 -1.100 -4.137 9.589 619 HB2 LYS 82 1HB LYS 82 -3.197 -5.074 11.531 620 HB3 LYS 82 2HB LYS 82 -3.128 -3.400 10.996 621 HG2 LYS 82 1HG LYS 82 -3.764 -3.912 8.855 622 HG3 LYS 82 2HG LYS 82 -3.150 -5.564 8.951 623 HD2 LYS 82 1HD LYS 82 -5.589 -5.539 8.920 624 HD3 LYS 82 2HD LYS 82 -4.986 -6.156 10.460 625 HE2 LYS 82 1HE LYS 82 -5.523 -3.244 10.260 626 HE3 LYS 82 2HE LYS 82 -6.914 -4.326 10.306 627 HZ1 LYS 82 1HZ LYS 82 -5.552 -3.405 12.465 628 HZ2 LYS 82 2HZ LYS 82 -4.933 -4.967 12.276 629 HZ3 LYS 82 3HZ LYS 82 -6.598 -4.734 12.458 630 H LEU 83 H LEU 83 0.423 -2.775 10.261 631 HA LEU 83 HA LEU 83 1.151 -2.611 13.061 632 HB2 LEU 83 1HB LEU 83 2.229 -0.827 10.915 633 HB3 LEU 83 2HB LEU 83 3.016 -1.396 12.386 634 HG LEU 83 HG LEU 83 2.341 -3.263 10.129 635 HD11 LEU 83 1HD1 LEU 83 4.335 -2.846 9.049 636 HD12 LEU 83 2HD1 LEU 83 5.054 -2.056 10.450 637 HD13 LEU 83 3HD1 LEU 83 3.821 -1.221 9.505 638 HD21 LEU 83 1HD2 LEU 83 3.813 -3.386 12.676 639 HD22 LEU 83 2HD2 LEU 83 4.597 -4.169 11.304 640 HD23 LEU 83 3HD2 LEU 83 2.971 -4.654 11.785 641 H LEU 84 H LEU 84 -0.594 -0.738 10.682 642 HA LEU 84 HA LEU 84 -1.026 1.381 12.678 643 HB2 LEU 84 1HB LEU 84 -1.589 1.535 9.726 644 HB3 LEU 84 2HB LEU 84 -1.551 2.862 10.885 645 HG LEU 84 HG LEU 84 0.900 1.251 10.227 646 HD11 LEU 84 1HD1 LEU 84 0.554 3.895 8.976 647 HD12 LEU 84 2HD1 LEU 84 -0.415 2.588 8.299 648 HD13 LEU 84 3HD1 LEU 84 1.341 2.439 8.365 649 HD21 LEU 84 1HD2 LEU 84 2.006 2.711 11.518 650 HD22 LEU 84 2HD2 LEU 84 0.418 3.063 12.203 651 HD23 LEU 84 3HD2 LEU 84 1.077 4.089 10.928 652 H ASP 85 H ASP 85 -3.277 2.534 12.050 653 HA ASP 85 HA ASP 85 -5.312 0.412 11.882 654 HB2 ASP 85 1HB ASP 85 -4.995 2.594 13.906 655 HB3 ASP 85 2HB ASP 85 -6.615 2.047 13.482 656 HA PRO 86 HA PRO 86 -7.285 2.844 8.805 657 HB2 PRO 86 1HB PRO 86 -9.884 2.171 9.210 658 HB3 PRO 86 2HB PRO 86 -8.707 1.066 8.491 659 HG2 PRO 86 1HG PRO 86 -9.705 1.198 11.310 660 HG3 PRO 86 2HG PRO 86 -9.430 -0.224 10.285 661 HD2 PRO 86 1HD PRO 86 -7.672 0.563 12.189 662 HD3 PRO 86 2HD PRO 86 -7.159 -0.227 10.684 663 H GLU 87 H GLU 87 -7.844 3.360 12.126 664 HA GLU 87 HA GLU 87 -9.419 5.784 11.583 665 HB2 GLU 87 1HB GLU 87 -9.902 5.737 14.041 666 HB3 GLU 87 2HB GLU 87 -10.535 4.361 13.150 667 HG2 GLU 87 1HG GLU 87 -8.728 2.969 13.931 668 HG3 GLU 87 2HG GLU 87 -7.978 4.346 14.737 669 H ASP 88 H ASP 88 -6.325 4.693 12.382 670 HA ASP 88 HA ASP 88 -5.565 7.147 13.765 671 HB2 ASP 88 1HB ASP 88 -4.282 4.488 13.314 672 HB3 ASP 88 2HB ASP 88 -3.245 5.878 13.625 673 H VAL 89 H VAL 89 -5.081 5.487 10.707 674 HA VAL 89 HA VAL 89 -3.133 7.361 9.734 675 HB VAL 89 HB VAL 89 -4.731 5.229 8.315 676 HG11 VAL 89 1HG1 VAL 89 -2.857 7.291 7.299 677 HG12 VAL 89 2HG1 VAL 89 -2.724 5.664 6.627 678 HG13 VAL 89 3HG1 VAL 89 -4.250 6.543 6.520 679 HG21 VAL 89 1HG2 VAL 89 -2.540 4.070 8.240 680 HG22 VAL 89 2HG2 VAL 89 -1.865 5.350 9.250 681 HG23 VAL 89 3HG2 VAL 89 -3.145 4.312 9.879 682 H ASN 90 H ASN 90 -6.607 6.891 9.396 683 HA ASN 90 HA ASN 90 -6.989 8.832 7.361 684 HB2 ASN 90 1HB ASN 90 -8.646 7.090 7.771 685 HB3 ASN 90 2HB ASN 90 -8.933 7.714 9.392 686 HD21 ASN 90 1HD2 ASN 90 -11.057 7.427 7.824 687 HD22 ASN 90 2HD2 ASN 90 -11.638 8.954 7.265 688 H VAL 91 H VAL 91 -5.682 10.580 8.200 689 HA VAL 91 HA VAL 91 -7.260 12.361 9.890 690 HB VAL 91 HB VAL 91 -5.609 11.151 11.361 691 HG11 VAL 91 1HG1 VAL 91 -3.732 10.915 9.926 692 HG12 VAL 91 2HG1 VAL 91 -3.660 12.654 9.625 693 HG13 VAL 91 3HG1 VAL 91 -3.250 12.014 11.218 694 HG21 VAL 91 1HG2 VAL 91 -6.580 13.537 11.662 695 HG22 VAL 91 2HG2 VAL 91 -5.233 13.022 12.677 696 HG23 VAL 91 3HG2 VAL 91 -4.940 14.067 11.288 697 H ASP 92 H ASP 92 -6.330 14.605 9.892 698 HA ASP 92 HA ASP 92 -6.035 15.561 7.300 699 HB2 ASP 92 1HB ASP 92 -5.569 16.718 10.015 700 HB3 ASP 92 2HB ASP 92 -5.005 17.617 8.609 701 H GLN 93 H GLN 93 -3.517 15.227 9.802 702 HA GLN 93 HA GLN 93 -1.542 14.904 7.653 703 HB2 GLN 93 1HB GLN 93 -1.367 16.775 10.009 704 HB3 GLN 93 2HB GLN 93 0.058 16.239 9.126 705 HG2 GLN 93 1HG GLN 93 -0.827 17.212 7.080 706 HG3 GLN 93 2HG GLN 93 -2.277 17.725 7.941 707 HE21 GLN 93 1HE2 GLN 93 -1.872 19.882 7.402 708 HE22 GLN 93 2HE2 GLN 93 -0.645 20.801 8.196 709 HA PRO 94 HA PRO 94 -1.150 11.453 10.649 710 HB2 PRO 94 1HB PRO 94 -0.450 9.627 8.767 711 HB3 PRO 94 2HB PRO 94 -2.130 10.038 9.127 712 HG2 PRO 94 1HG PRO 94 -0.379 11.007 6.901 713 HG3 PRO 94 2HG PRO 94 -2.078 10.504 6.850 714 HD2 PRO 94 1HD PRO 94 -1.330 13.105 6.903 715 HD3 PRO 94 2HD PRO 94 -2.832 12.528 7.652 716 H ASP 95 H ASP 95 0.776 9.647 10.401 717 HA ASP 95 HA ASP 95 3.233 11.257 10.331 718 HB2 ASP 95 1HB ASP 95 2.445 8.789 11.860 719 HB3 ASP 95 2HB ASP 95 4.139 9.231 11.661 720 H GLU 96 H GLU 96 4.019 11.114 8.297 721 HA GLU 96 HA GLU 96 3.793 9.027 6.510 722 HB2 GLU 96 1HB GLU 96 5.692 9.982 5.332 723 HB3 GLU 96 2HB GLU 96 4.642 11.262 5.924 724 HG2 GLU 96 1HG GLU 96 6.316 11.170 7.976 725 HG3 GLU 96 2HG GLU 96 7.396 10.534 6.736 726 H LYS 97 H LYS 97 6.071 9.443 9.141 727 HA LYS 97 HA LYS 97 7.826 7.335 8.403 728 HB2 LYS 97 1HB LYS 97 7.314 8.539 11.131 729 HB3 LYS 97 2HB LYS 97 8.685 7.525 10.698 730 HG2 LYS 97 1HG LYS 97 8.179 10.035 9.170 731 HG3 LYS 97 2HG LYS 97 8.928 10.116 10.766 732 HD2 LYS 97 1HD LYS 97 10.798 9.928 9.459 733 HD3 LYS 97 2HD LYS 97 10.465 8.220 9.763 734 HE2 LYS 97 1HE LYS 97 9.610 7.880 7.631 735 HE3 LYS 97 2HE LYS 97 9.283 9.593 7.380 736 HZ1 LYS 97 1HZ LYS 97 11.539 8.144 6.611 737 HZ2 LYS 97 2HZ LYS 97 12.038 9.247 7.793 738 HZ3 LYS 97 3HZ LYS 97 11.244 9.797 6.403 739 H SER 98 H SER 98 4.845 7.495 10.220 740 HA SER 98 HA SER 98 5.083 4.807 11.244 741 HB2 SER 98 1HB SER 98 3.813 6.822 12.301 742 HB3 SER 98 2HB SER 98 2.515 6.365 11.197 743 HG SER 98 HG SER 98 2.030 5.042 12.768 744 H ILE 99 H ILE 99 4.149 6.204 8.323 745 HA ILE 99 HA ILE 99 2.390 3.967 7.615 746 HB ILE 99 HB ILE 99 2.963 6.531 6.124 747 HG12 ILE 99 1HG1 ILE 99 0.481 5.613 7.593 748 HG13 ILE 99 2HG1 ILE 99 1.627 6.808 8.188 749 HG21 ILE 99 1HG2 ILE 99 2.437 4.493 4.723 750 HG22 ILE 99 2HG2 ILE 99 0.847 4.495 5.484 751 HG23 ILE 99 3HG2 ILE 99 1.362 5.875 4.515 752 HD11 ILE 99 1HD1 ILE 99 1.036 7.931 5.846 753 HD12 ILE 99 2HD1 ILE 99 -0.466 7.047 6.123 754 HD13 ILE 99 3HD1 ILE 99 0.101 8.218 7.314 755 H ILE 100 H ILE 100 5.102 5.786 6.172 756 HA ILE 100 HA ILE 100 5.747 4.294 4.029 757 HB ILE 100 HB ILE 100 7.706 5.363 6.063 758 HG12 ILE 100 1HG1 ILE 100 7.101 6.610 3.409 759 HG13 ILE 100 2HG1 ILE 100 5.990 6.862 4.750 760 HG21 ILE 100 1HG2 ILE 100 8.278 4.701 3.185 761 HG22 ILE 100 2HG2 ILE 100 9.424 5.153 4.447 762 HG23 ILE 100 3HG2 ILE 100 8.611 3.590 4.514 763 HD11 ILE 100 1HD1 ILE 100 8.921 7.539 4.745 764 HD12 ILE 100 2HD1 ILE 100 7.588 8.680 4.563 765 HD13 ILE 100 3HD1 ILE 100 7.798 7.805 6.079 766 H THR 101 H THR 101 6.439 3.432 7.383 767 HA THR 101 HA THR 101 8.004 1.152 6.871 768 HB THR 101 HB THR 101 6.189 1.551 9.253 769 HG1 THR 101 1HG THR 101 8.173 2.493 10.159 770 HG21 THR 101 1HG2 THR 101 7.137 -0.680 9.108 771 HG22 THR 101 2HG2 THR 101 7.912 0.215 10.414 772 HG23 THR 101 3HG2 THR 101 8.750 -0.006 8.877 773 H TYR 102 H TYR 102 4.517 1.495 7.468 774 HA TYR 102 HA TYR 102 3.864 -1.224 7.345 775 HB2 TYR 102 1HB TYR 102 2.382 0.664 8.138 776 HB3 TYR 102 2HB TYR 102 2.082 1.043 6.445 777 HD1 TYR 102 2HD TYR 102 1.449 -1.224 5.043 778 HD2 TYR 102 1HD TYR 102 0.718 -0.533 9.176 779 HE1 TYR 102 2HE TYR 102 -0.371 -2.877 4.991 780 HE2 TYR 102 1HE TYR 102 -1.104 -2.185 9.137 781 HH TYR 102 HH TYR 102 -1.561 -4.379 7.427 782 H VAL 103 H VAL 103 3.249 1.198 4.797 783 HA VAL 103 HA VAL 103 2.563 -0.471 2.746 784 HB VAL 103 HB VAL 103 2.461 1.939 2.503 785 HG11 VAL 103 1HG1 VAL 103 4.373 2.714 3.644 786 HG12 VAL 103 2HG1 VAL 103 5.460 1.771 2.624 787 HG13 VAL 103 3HG1 VAL 103 4.613 3.167 1.957 788 HG21 VAL 103 1HG2 VAL 103 4.101 1.860 0.270 789 HG22 VAL 103 2HG2 VAL 103 3.650 0.175 0.535 790 HG23 VAL 103 3HG2 VAL 103 2.399 1.403 0.340 791 H ALA 104 H ALA 104 5.789 0.237 3.942 792 HA ALA 104 HA ALA 104 7.407 -0.691 1.940 793 HB1 ALA 104 1HB ALA 104 9.036 -0.531 3.462 794 HB2 ALA 104 2HB ALA 104 7.773 0.023 4.562 795 HB3 ALA 104 3HB ALA 104 8.252 -1.674 4.552 796 H THR 105 H THR 105 5.466 -2.571 4.181 797 HA THR 105 HA THR 105 6.586 -5.101 3.653 798 HB THR 105 HB THR 105 4.615 -6.053 4.656 799 HG1 THR 105 1HG THR 105 3.475 -3.506 4.124 800 HG21 THR 105 1HG2 THR 105 5.348 -3.425 5.952 801 HG22 THR 105 2HG2 THR 105 6.128 -4.985 6.215 802 HG23 THR 105 3HG2 THR 105 4.466 -4.729 6.747 803 H TYR 106 H TYR 106 4.048 -3.253 2.062 804 HA TYR 106 HA TYR 106 3.076 -5.313 0.399 805 HB2 TYR 106 1HB TYR 106 3.004 -2.311 0.233 806 HB3 TYR 106 2HB TYR 106 2.343 -3.309 -1.058 807 HD1 TYR 106 1HD TYR 106 2.157 -4.431 2.415 808 HD2 TYR 106 2HD TYR 106 0.102 -2.409 -0.713 809 HE1 TYR 106 1HE TYR 106 0.052 -4.648 3.667 810 HE2 TYR 106 2HE TYR 106 -2.010 -2.619 0.530 811 HH TYR 106 HH TYR 106 -2.966 -4.115 2.291 812 H TYR 107 H TYR 107 5.870 -3.267 0.217 813 HA TYR 107 HA TYR 107 6.376 -3.931 -2.570 814 HB2 TYR 107 1HB TYR 107 7.010 -1.733 -2.163 815 HB3 TYR 107 2HB TYR 107 7.649 -2.104 -0.564 816 HD1 TYR 107 2HD TYR 107 8.309 -2.649 -4.187 817 HD2 TYR 107 1HD TYR 107 9.941 -2.427 -0.264 818 HE1 TYR 107 2HE TYR 107 10.578 -2.776 -5.130 819 HE2 TYR 107 1HE TYR 107 12.213 -2.552 -1.195 820 HH TYR 107 HH TYR 107 13.036 -1.894 -4.130 821 H HIS 108 H HIS 108 7.661 -4.640 0.636 822 HA HIS 108 HA HIS 108 9.899 -6.142 -0.267 823 HB2 HIS 108 1HB HIS 108 8.456 -6.057 2.386 824 HB3 HIS 108 2HB HIS 108 9.914 -7.006 2.108 825 HD1 HIS 108 1HD HIS 108 11.540 -4.938 0.490 826 HD2 HIS 108 2HD HIS 108 9.447 -4.076 3.975 827 HE1 HIS 108 1HE HIS 108 12.635 -2.884 1.443 828 HE2 HIS 108 2HE HIS 108 11.406 -2.431 3.594 829 H TYR 109 H TYR 109 6.805 -7.173 1.181 830 HA TYR 109 HA TYR 109 7.077 -9.890 0.988 831 HB2 TYR 109 1HB TYR 109 5.149 -9.012 2.072 832 HB3 TYR 109 2HB TYR 109 4.634 -8.159 0.622 833 HD1 TYR 109 2HD TYR 109 5.065 -11.542 2.081 834 HD2 TYR 109 1HD TYR 109 3.212 -9.194 -0.944 835 HE1 TYR 109 2HE TYR 109 3.657 -13.461 1.462 836 HE2 TYR 109 1HE TYR 109 1.798 -11.105 -1.571 837 HH TYR 109 HH TYR 109 2.291 -14.287 -0.190 838 H PHE 110 H PHE 110 5.252 -8.013 -1.433 839 HA PHE 110 HA PHE 110 5.085 -9.973 -3.367 840 HB2 PHE 110 1HB PHE 110 4.976 -7.000 -3.401 841 HB3 PHE 110 2HB PHE 110 5.164 -7.816 -4.949 842 HD1 PHE 110 2HD PHE 110 3.504 -9.905 -5.225 843 HD2 PHE 110 1HD PHE 110 2.845 -6.523 -2.727 844 HE1 PHE 110 2HE PHE 110 1.081 -10.332 -5.291 845 HE2 PHE 110 1HE PHE 110 0.422 -6.945 -2.788 846 HZ PHE 110 HZ PHE 110 -0.463 -8.850 -4.072 847 H SER 111 H SER 111 7.641 -7.562 -2.904 848 HA SER 111 HA SER 111 9.171 -8.024 -5.150 849 HB2 SER 111 1HB SER 111 9.851 -6.233 -3.783 850 HB3 SER 111 2HB SER 111 9.920 -7.244 -2.340 851 HG SER 111 HG SER 111 11.978 -7.264 -2.835 852 H LYS 112 H LYS 112 9.457 -9.659 -1.998 853 HA LYS 112 HA LYS 112 11.512 -11.358 -2.379 854 HB2 LYS 112 1HB LYS 112 8.828 -12.001 -1.153 855 HB3 LYS 112 2HB LYS 112 10.236 -13.045 -1.013 856 HG2 LYS 112 1HG LYS 112 10.196 -10.183 -0.090 857 HG3 LYS 112 2HG LYS 112 9.806 -11.554 0.949 858 HD2 LYS 112 1HD LYS 112 12.073 -12.500 0.283 859 HD3 LYS 112 2HD LYS 112 12.425 -10.903 -0.379 860 HE2 LYS 112 1HE LYS 112 11.517 -11.331 2.457 861 HE3 LYS 112 2HE LYS 112 13.217 -11.347 1.987 862 HZ1 LYS 112 1HZ LYS 112 11.489 -9.127 2.412 863 HZ2 LYS 112 2HZ LYS 112 12.179 -9.063 0.870 864 HZ3 LYS 112 3HZ LYS 112 13.172 -9.157 2.236 865 H MET 113 H MET 113 8.198 -11.951 -3.531 866 HA MET 113 HA MET 113 8.541 -14.429 -4.684 867 HB2 MET 113 1HB MET 113 6.860 -12.126 -5.686 868 HB3 MET 113 2HB MET 113 6.701 -13.791 -6.229 869 HG2 MET 113 1HG MET 113 6.309 -12.853 -3.398 870 HG3 MET 113 2HG MET 113 5.017 -13.153 -4.557 871 HE1 MET 113 1HE MET 113 7.186 -14.658 -1.783 872 HE2 MET 113 2HE MET 113 5.454 -14.379 -1.599 873 HE3 MET 113 3HE MET 113 6.093 -16.023 -1.551 874 H LYS 114 H LYS 114 8.654 -14.970 -7.029 875 HA LYS 114 HA LYS 114 11.020 -14.525 -8.194 876 HB2 LYS 114 1HB LYS 114 9.913 -14.890 -10.422 877 HB3 LYS 114 2HB LYS 114 9.506 -16.079 -9.191 878 HG2 LYS 114 1HG LYS 114 7.485 -14.410 -8.788 879 HG3 LYS 114 2HG LYS 114 7.813 -14.014 -10.476 880 HD2 LYS 114 1HD LYS 114 7.296 -16.149 -11.211 881 HD3 LYS 114 2HD LYS 114 7.593 -16.875 -9.629 882 HE2 LYS 114 1HE LYS 114 5.224 -16.869 -10.077 883 HE3 LYS 114 2HE LYS 114 5.573 -15.736 -8.772 884 HZ1 LYS 114 1HZ LYS 114 4.045 -14.723 -10.274 885 HZ2 LYS 114 2HZ LYS 114 5.024 -15.067 -11.610 886 HZ3 LYS 114 3HZ LYS 114 5.534 -13.941 -10.455 887 H ALA 115 H ALA 115 12.011 -12.587 -8.229 888 HA ALA 115 HA ALA 115 10.917 -10.559 -10.015 889 HB1 ALA 115 1HB ALA 115 11.257 -10.220 -7.095 890 HB2 ALA 115 2HB ALA 115 11.764 -8.880 -8.123 891 HB3 ALA 115 3HB ALA 115 10.105 -9.470 -8.201 892 H LEU 116 H LEU 116 12.625 -8.645 -10.067 893 HA LEU 116 HA LEU 116 15.176 -9.930 -10.675 894 HB2 LEU 116 1HB LEU 116 15.592 -8.218 -12.157 895 HB3 LEU 116 2HB LEU 116 13.839 -8.375 -12.251 896 HG LEU 116 HG LEU 116 14.984 -6.367 -10.374 897 HD11 LEU 116 1HD1 LEU 116 15.573 -4.838 -11.955 898 HD12 LEU 116 2HD1 LEU 116 14.514 -5.531 -13.183 899 HD13 LEU 116 3HD1 LEU 116 16.045 -6.315 -12.795 900 HD21 LEU 116 1HD2 LEU 116 12.962 -5.156 -10.986 901 HD22 LEU 116 2HD2 LEU 116 12.576 -6.791 -10.447 902 HD23 LEU 116 3HD2 LEU 116 12.560 -6.403 -12.167 903 H ALA 117 H ALA 117 13.746 -7.700 -8.450 904 HA ALA 117 HA ALA 117 16.038 -6.329 -7.580 905 HB1 ALA 117 1HB ALA 117 14.307 -5.269 -6.639 906 HB2 ALA 117 2HB ALA 117 13.300 -6.717 -6.633 907 HB3 ALA 117 3HB ALA 117 14.474 -6.453 -5.343 908 H VAL 118 H VAL 118 17.640 -6.821 -6.189 909 HA VAL 118 HA VAL 118 17.507 -9.423 -4.810 910 HB VAL 118 HB VAL 118 19.056 -9.678 -6.623 911 HG11 VAL 118 1HG1 VAL 118 21.150 -7.892 -6.059 912 HG12 VAL 118 2HG1 VAL 118 20.090 -7.903 -7.470 913 HG13 VAL 118 3HG1 VAL 118 19.669 -6.936 -6.056 914 HG21 VAL 118 1HG2 VAL 118 19.644 -10.295 -4.101 915 HG22 VAL 118 2HG2 VAL 118 20.752 -10.622 -5.434 916 HG23 VAL 118 3HG2 VAL 118 20.986 -9.196 -4.424 917 H GLU 119 H GLU 119 17.995 -9.431 -2.694 918 HA GLU 119 HA GLU 119 18.257 -6.976 -1.296 919 HB2 GLU 119 1HB GLU 119 18.466 -8.379 0.712 920 HB3 GLU 119 2HB GLU 119 17.120 -8.885 -0.299 921 HG2 GLU 119 1HG GLU 119 18.749 -10.599 -1.277 922 HG3 GLU 119 2HG GLU 119 19.758 -10.233 0.121 923 H GLY 120 H GLY 120 20.020 -6.841 0.507 924 HA2 GLY 120 1HA GLY 120 22.622 -7.835 -0.255 925 HA3 GLY 120 2HA GLY 120 22.410 -6.113 -0.538 926 H LYS 121 H LYS 121 20.875 -5.408 1.656 927 HA LYS 121 HA LYS 121 22.166 -6.346 4.062 928 HB2 LYS 121 1HB LYS 121 23.709 -4.608 2.966 929 HB3 LYS 121 2HB LYS 121 22.479 -3.426 3.397 930 HG2 LYS 121 1HG LYS 121 22.728 -3.997 5.747 931 HG3 LYS 121 2HG LYS 121 23.931 -5.219 5.332 932 HD2 LYS 121 1HD LYS 121 25.218 -3.296 4.224 933 HD3 LYS 121 2HD LYS 121 24.140 -2.230 5.128 934 HE2 LYS 121 1HE LYS 121 25.960 -2.432 6.547 935 HE3 LYS 121 2HE LYS 121 24.849 -3.649 7.173 936 HZ1 LYS 121 1HZ LYS 121 26.665 -4.591 5.128 937 HZ2 LYS 121 2HZ LYS 121 26.216 -5.309 6.592 938 HZ3 LYS 121 3HZ LYS 121 27.414 -4.115 6.568 939 H SER 122 H SER 122 20.851 -6.135 5.778 940 HA SER 122 HA SER 122 18.297 -4.794 5.358 941 HB2 SER 122 1HB SER 122 18.720 -7.204 6.359 942 HB3 SER 122 2HB SER 122 18.934 -6.304 7.861 943 HG SER 122 HG SER 122 16.649 -6.529 6.231 944 H GLY 123 H GLY 123 20.810 -3.306 5.870 945 HA2 GLY 123 1HA GLY 123 20.147 -1.106 7.128 946 HA3 GLY 123 2HA GLY 123 20.309 -2.163 8.522 947 HA PRO 124 HA PRO 124 24.546 -0.783 6.553 948 HB2 PRO 124 1HB PRO 124 24.668 1.914 6.839 949 HB3 PRO 124 2HB PRO 124 24.096 1.130 5.362 950 HG2 PRO 124 1HG PRO 124 22.515 2.315 7.610 951 HG3 PRO 124 2HG PRO 124 22.246 2.447 5.862 952 HD2 PRO 124 1HD PRO 124 20.843 0.740 7.428 953 HD3 PRO 124 2HD PRO 124 21.236 0.379 5.735 954 H SER 125 H SER 125 22.708 0.262 9.307 955 HA SER 125 HA SER 125 24.431 1.407 11.027 956 HB2 SER 125 1HB SER 125 22.537 -0.870 11.653 957 HB3 SER 125 2HB SER 125 23.299 0.153 12.871 958 HG SER 125 HG SER 125 21.120 0.639 11.353 959 H SER 126 H SER 126 24.128 -2.142 10.798 960 HA SER 126 HA SER 126 27.008 -2.392 11.184 961 HB2 SER 126 1HB SER 126 26.865 -3.846 13.064 962 HB3 SER 126 2HB SER 126 25.850 -2.457 13.450 963 HG SER 126 HG SER 126 24.832 -4.471 13.915 964 H GLY 127 H GLY 127 27.875 -4.366 10.464 965 HA2 GLY 127 1HA GLY 127 27.034 -6.730 9.805 966 HA3 GLY 127 2HA GLY 127 26.079 -5.818 8.646 Start of MODEL 11 1 H1 GLY 1 H GLY 1 16.566 4.765 -9.948 2 HA2 GLY 1 1HA GLY 1 17.309 2.947 -11.804 3 HA3 GLY 1 2HA GLY 1 18.854 3.593 -11.274 4 H SER 2 H SER 2 15.902 2.008 -10.142 5 HA SER 2 HA SER 2 16.380 1.508 -7.537 6 HB2 SER 2 1HB SER 2 15.279 -0.726 -7.865 7 HB3 SER 2 2HB SER 2 14.408 0.619 -8.600 8 HG SER 2 HG SER 2 16.127 -1.211 -9.927 9 H SER 3 H SER 3 18.376 1.200 -6.730 10 HA SER 3 HA SER 3 20.217 -0.665 -7.970 11 HB2 SER 3 1HB SER 3 21.853 0.162 -6.451 12 HB3 SER 3 2HB SER 3 20.898 1.562 -6.939 13 HG SER 3 HG SER 3 20.889 0.167 -4.494 14 H GLY 4 H GLY 4 17.911 -1.945 -7.109 15 HA2 GLY 4 1HA GLY 4 17.410 -3.947 -6.074 16 HA3 GLY 4 2HA GLY 4 19.038 -3.959 -5.410 17 H SER 5 H SER 5 19.406 -3.192 -3.361 18 HA SER 5 HA SER 5 17.044 -2.254 -1.871 19 HB2 SER 5 1HB SER 5 17.417 -4.571 -1.262 20 HB3 SER 5 2HB SER 5 19.126 -4.255 -0.960 21 HG SER 5 HG SER 5 17.552 -2.576 0.462 22 H SER 6 H SER 6 17.336 -0.386 -0.859 23 HA SER 6 HA SER 6 19.918 0.332 0.246 24 HB2 SER 6 1HB SER 6 20.039 2.485 -0.945 25 HB3 SER 6 2HB SER 6 20.111 1.129 -2.070 26 HG SER 6 HG SER 6 18.167 3.066 -1.746 27 H GLY 7 H GLY 7 19.780 1.787 1.920 28 HA2 GLY 7 1HA GLY 7 17.178 2.142 3.075 29 HA3 GLY 7 2HA GLY 7 18.702 2.704 3.745 30 H ALA 8 H ALA 8 15.879 3.552 2.010 31 HA ALA 8 HA ALA 8 16.320 6.325 2.366 32 HB1 ALA 8 1HB ALA 8 17.519 6.800 0.553 33 HB2 ALA 8 2HB ALA 8 17.307 5.175 -0.099 34 HB3 ALA 8 3HB ALA 8 16.085 6.411 -0.397 35 H LYS 9 H LYS 9 14.550 7.639 1.460 36 HA LYS 9 HA LYS 9 12.086 6.050 1.315 37 HB2 LYS 9 1HB LYS 9 12.342 7.787 3.114 38 HB3 LYS 9 2HB LYS 9 12.358 9.010 1.852 39 HG2 LYS 9 1HG LYS 9 10.098 7.805 1.174 40 HG3 LYS 9 2HG LYS 9 10.115 7.374 2.886 41 HD2 LYS 9 1HD LYS 9 9.020 9.374 3.012 42 HD3 LYS 9 2HD LYS 9 10.684 9.947 3.152 43 HE2 LYS 9 1HE LYS 9 9.415 9.695 0.457 44 HE3 LYS 9 2HE LYS 9 9.042 11.085 1.474 45 HZ1 LYS 9 1HZ LYS 9 10.842 11.749 0.170 46 HZ2 LYS 9 2HZ LYS 9 11.660 10.282 0.360 47 HZ3 LYS 9 3HZ LYS 9 11.543 11.359 1.658 48 H ASP 10 H ASP 10 13.479 6.031 -1.013 49 HA ASP 10 HA ASP 10 11.853 7.782 -2.734 50 HB2 ASP 10 1HB ASP 10 14.612 6.942 -3.560 51 HB3 ASP 10 2HB ASP 10 13.654 8.313 -4.114 52 H ALA 11 H ALA 11 13.764 4.797 -2.556 53 HA ALA 11 HA ALA 11 12.957 3.644 -4.960 54 HB1 ALA 11 1HB ALA 11 13.756 2.376 -2.348 55 HB2 ALA 11 2HB ALA 11 13.491 1.465 -3.836 56 HB3 ALA 11 3HB ALA 11 14.769 2.678 -3.760 57 H LEU 12 H LEU 12 11.365 3.735 -1.826 58 HA LEU 12 HA LEU 12 9.299 1.884 -2.578 59 HB2 LEU 12 1HB LEU 12 10.126 2.300 -0.234 60 HB3 LEU 12 2HB LEU 12 9.268 3.839 -0.288 61 HG LEU 12 HG LEU 12 7.153 2.556 -0.657 62 HD11 LEU 12 1HD1 LEU 12 8.312 0.507 -1.514 63 HD12 LEU 12 2HD1 LEU 12 7.078 0.209 -0.289 64 HD13 LEU 12 3HD1 LEU 12 8.786 0.159 0.149 65 HD21 LEU 12 1HD2 LEU 12 7.026 3.041 1.513 66 HD22 LEU 12 2HD2 LEU 12 8.750 2.754 1.755 67 HD23 LEU 12 3HD2 LEU 12 7.613 1.406 1.820 68 H LEU 13 H LEU 13 9.289 5.374 -1.829 69 HA LEU 13 HA LEU 13 6.724 6.023 -2.462 70 HB2 LEU 13 1HB LEU 13 8.369 7.618 -1.617 71 HB3 LEU 13 2HB LEU 13 9.192 7.603 -3.175 72 HG LEU 13 HG LEU 13 7.082 8.544 -4.177 73 HD11 LEU 13 1HD1 LEU 13 5.508 7.908 -2.462 74 HD12 LEU 13 2HD1 LEU 13 5.536 9.664 -2.617 75 HD13 LEU 13 3HD1 LEU 13 6.365 8.885 -1.269 76 HD21 LEU 13 1HD2 LEU 13 8.072 10.418 -2.080 77 HD22 LEU 13 2HD2 LEU 13 7.763 10.703 -3.793 78 HD23 LEU 13 3HD2 LEU 13 9.197 9.807 -3.293 79 H LEU 14 H LEU 14 9.421 5.728 -4.755 80 HA LEU 14 HA LEU 14 7.932 6.399 -7.057 81 HB2 LEU 14 1HB LEU 14 10.280 6.538 -7.200 82 HB3 LEU 14 2HB LEU 14 10.490 4.885 -6.628 83 HG LEU 14 HG LEU 14 9.456 4.112 -8.784 84 HD11 LEU 14 1HD1 LEU 14 8.280 6.085 -9.455 85 HD12 LEU 14 2HD1 LEU 14 9.527 5.750 -10.655 86 HD13 LEU 14 3HD1 LEU 14 9.770 7.030 -9.466 87 HD21 LEU 14 1HD2 LEU 14 11.491 4.426 -10.075 88 HD22 LEU 14 2HD2 LEU 14 11.876 4.094 -8.386 89 HD23 LEU 14 3HD2 LEU 14 11.985 5.741 -9.008 90 H TRP 15 H TRP 15 8.630 3.322 -5.473 91 HA TRP 15 HA TRP 15 7.708 1.547 -7.379 92 HB2 TRP 15 1HB TRP 15 8.788 1.011 -5.146 93 HB3 TRP 15 2HB TRP 15 7.199 1.234 -4.419 94 HD1 TRP 15 HD TRP 15 8.793 -0.953 -7.208 95 HE1 TRP 15 1HE TRP 15 7.640 -3.254 -7.158 96 HE3 TRP 15 3HE TRP 15 5.354 -0.059 -3.532 97 HZ2 TRP 15 2HZ TRP 15 5.549 -4.521 -5.748 98 HZ3 TRP 15 3HZ TRP 15 3.815 -1.868 -2.893 99 HH2 TRP 15 HH TRP 15 3.911 -4.052 -3.978 100 H CYS 16 H CYS 16 5.791 2.853 -4.663 101 HA CYS 16 HA CYS 16 3.331 1.833 -5.504 102 HB2 CYS 16 1HB CYS 16 3.803 4.374 -3.931 103 HB3 CYS 16 2HB CYS 16 2.319 3.430 -3.969 104 HG CYS 16 HG CYS 16 5.256 2.698 -2.417 105 H GLN 17 H GLN 17 4.975 4.842 -6.305 106 HA GLN 17 HA GLN 17 2.829 6.095 -7.632 107 HB2 GLN 17 1HB GLN 17 5.787 6.440 -7.577 108 HB3 GLN 17 2HB GLN 17 4.897 7.207 -8.885 109 HG2 GLN 17 1HG GLN 17 3.412 8.188 -7.048 110 HG3 GLN 17 2HG GLN 17 4.691 7.698 -5.939 111 HE21 GLN 17 1HE2 GLN 17 5.136 9.832 -5.387 112 HE22 GLN 17 2HE2 GLN 17 5.961 10.905 -6.460 113 H MET 18 H MET 18 5.371 3.915 -8.760 114 HA MET 18 HA MET 18 4.758 4.101 -11.514 115 HB2 MET 18 1HB MET 18 6.190 2.030 -9.861 116 HB3 MET 18 2HB MET 18 5.963 1.838 -11.595 117 HG2 MET 18 1HG MET 18 7.062 4.136 -11.804 118 HG3 MET 18 2HG MET 18 7.565 3.900 -10.131 119 HE1 MET 18 1HE MET 18 10.231 1.566 -10.004 120 HE2 MET 18 2HE MET 18 8.731 2.109 -9.252 121 HE3 MET 18 3HE MET 18 8.780 0.570 -10.114 122 H LYS 19 H LYS 19 3.890 1.652 -9.076 123 HA LYS 19 HA LYS 19 2.282 0.087 -10.768 124 HB2 LYS 19 1HB LYS 19 1.960 0.421 -7.783 125 HB3 LYS 19 2HB LYS 19 1.438 -0.949 -8.756 126 HG2 LYS 19 1HG LYS 19 4.283 -0.111 -8.231 127 HG3 LYS 19 2HG LYS 19 3.445 -1.499 -7.531 128 HD2 LYS 19 1HD LYS 19 3.070 -2.183 -10.015 129 HD3 LYS 19 2HD LYS 19 4.410 -1.078 -10.333 130 HE2 LYS 19 1HE LYS 19 5.505 -3.091 -10.051 131 HE3 LYS 19 2HE LYS 19 5.598 -2.398 -8.434 132 HZ1 LYS 19 1HZ LYS 19 3.245 -3.778 -8.442 133 HZ2 LYS 19 2HZ LYS 19 4.696 -4.291 -7.743 134 HZ3 LYS 19 3HZ LYS 19 4.293 -4.783 -9.310 135 H THR 20 H THR 20 1.249 2.401 -8.254 136 HA THR 20 HA THR 20 -1.462 2.398 -8.835 137 HB THR 20 HB THR 20 -1.582 4.593 -7.745 138 HG1 THR 20 1HG THR 20 1.152 4.575 -8.337 139 HG21 THR 20 1HG2 THR 20 0.330 3.596 -5.889 140 HG22 THR 20 2HG2 THR 20 -0.483 2.220 -6.634 141 HG23 THR 20 3HG2 THR 20 -1.427 3.471 -5.828 142 H ALA 21 H ALA 21 1.159 3.904 -10.529 143 HA ALA 21 HA ALA 21 0.103 6.001 -11.872 144 HB1 ALA 21 1HB ALA 21 2.377 4.688 -12.140 145 HB2 ALA 21 2HB ALA 21 1.544 4.005 -13.537 146 HB3 ALA 21 3HB ALA 21 1.770 5.749 -13.413 147 H GLY 22 H GLY 22 -0.578 2.592 -12.486 148 HA2 GLY 22 1HA GLY 22 -1.892 2.673 -14.888 149 HA3 GLY 22 2HA GLY 22 -2.358 1.612 -13.568 150 H TYR 23 H TYR 23 -3.312 3.383 -11.706 151 HA TYR 23 HA TYR 23 -5.798 4.207 -12.980 152 HB2 TYR 23 1HB TYR 23 -5.291 4.445 -10.038 153 HB3 TYR 23 2HB TYR 23 -6.792 4.086 -10.885 154 HD1 TYR 23 2HD TYR 23 -3.531 2.663 -9.860 155 HD2 TYR 23 1HD TYR 23 -7.449 1.852 -11.308 156 HE1 TYR 23 2HE TYR 23 -3.178 0.264 -9.453 157 HE2 TYR 23 1HE TYR 23 -7.106 -0.550 -10.904 158 HH TYR 23 HH TYR 23 -5.397 -1.892 -9.130 159 HA PRO 24 HA PRO 24 -4.620 8.466 -13.085 160 HB2 PRO 24 1HB PRO 24 -7.089 9.503 -13.528 161 HB3 PRO 24 2HB PRO 24 -6.155 8.678 -14.782 162 HG2 PRO 24 1HG PRO 24 -8.380 7.627 -13.076 163 HG3 PRO 24 2HG PRO 24 -8.095 7.396 -14.812 164 HD2 PRO 24 1HD PRO 24 -7.463 5.516 -12.968 165 HD3 PRO 24 2HD PRO 24 -6.529 5.740 -14.461 166 H ASN 25 H ASN 25 -7.646 7.740 -11.330 167 HA ASN 25 HA ASN 25 -7.670 9.969 -9.679 168 HB2 ASN 25 1HB ASN 25 -8.865 8.218 -8.062 169 HB3 ASN 25 2HB ASN 25 -9.649 8.826 -9.517 170 HD21 ASN 25 1HD2 ASN 25 -8.563 6.102 -7.851 171 HD22 ASN 25 2HD2 ASN 25 -8.844 4.928 -9.087 172 H VAL 26 H VAL 26 -6.166 6.803 -9.143 173 HA VAL 26 HA VAL 26 -5.198 7.393 -6.540 174 HB VAL 26 HB VAL 26 -4.117 5.363 -8.501 175 HG11 VAL 26 1HG1 VAL 26 -2.634 5.851 -6.603 176 HG12 VAL 26 2HG1 VAL 26 -3.949 5.466 -5.490 177 HG13 VAL 26 3HG1 VAL 26 -3.281 4.212 -6.535 178 HG21 VAL 26 1HG2 VAL 26 -5.789 4.287 -6.422 179 HG22 VAL 26 2HG2 VAL 26 -6.670 5.492 -7.360 180 HG23 VAL 26 3HG2 VAL 26 -5.928 4.113 -8.172 181 H ASN 27 H ASN 27 -3.345 8.314 -5.862 182 HA ASN 27 HA ASN 27 -1.118 8.722 -7.661 183 HB2 ASN 27 1HB ASN 27 -1.120 11.070 -7.713 184 HB3 ASN 27 2HB ASN 27 -2.802 10.641 -8.010 185 HD21 ASN 27 1HD2 ASN 27 -0.644 12.353 -6.051 186 HD22 ASN 27 2HD2 ASN 27 -1.771 12.885 -4.853 187 H VAL 28 H VAL 28 0.700 8.471 -6.545 188 HA VAL 28 HA VAL 28 0.607 8.833 -3.624 189 HB VAL 28 HB VAL 28 2.482 7.110 -5.252 190 HG11 VAL 28 1HG1 VAL 28 3.750 6.859 -3.440 191 HG12 VAL 28 2HG1 VAL 28 2.869 8.213 -2.730 192 HG13 VAL 28 3HG1 VAL 28 2.345 6.559 -2.418 193 HG21 VAL 28 1HG2 VAL 28 -0.020 6.462 -4.947 194 HG22 VAL 28 2HG2 VAL 28 1.234 5.255 -4.658 195 HG23 VAL 28 3HG2 VAL 28 0.470 6.075 -3.297 196 H HIS 29 H HIS 29 0.994 11.143 -4.030 197 HA HIS 29 HA HIS 29 3.625 11.865 -5.029 198 HB2 HIS 29 1HB HIS 29 1.263 13.471 -4.061 199 HB3 HIS 29 2HB HIS 29 2.814 14.215 -4.438 200 HD1 HIS 29 1HD HIS 29 0.161 14.813 -6.000 201 HD2 HIS 29 2HD HIS 29 3.117 12.154 -7.202 202 HE1 HIS 29 1HE HIS 29 -0.097 14.603 -8.493 203 HE2 HIS 29 2HE HIS 29 1.647 12.925 -9.186 204 H ASN 30 H ASN 30 1.909 11.612 -1.987 205 HA ASN 30 HA ASN 30 4.443 12.113 -0.586 206 HB2 ASN 30 1HB ASN 30 2.778 13.078 1.256 207 HB3 ASN 30 2HB ASN 30 3.458 14.100 -0.006 208 HD21 ASN 30 1HD2 ASN 30 0.739 11.837 0.328 209 HD22 ASN 30 2HD2 ASN 30 -0.435 12.882 -0.389 210 H PHE 31 H PHE 31 4.003 11.513 1.889 211 HA PHE 31 HA PHE 31 2.795 8.828 1.844 212 HB2 PHE 31 1HB PHE 31 5.205 9.941 3.233 213 HB3 PHE 31 2HB PHE 31 4.358 8.565 3.934 214 HD1 PHE 31 2HD PHE 31 3.803 6.660 2.132 215 HD2 PHE 31 1HD PHE 31 6.977 9.484 1.862 216 HE1 PHE 31 2HE PHE 31 5.022 5.143 0.627 217 HE2 PHE 31 1HE PHE 31 8.200 7.971 0.357 218 HZ PHE 31 HZ PHE 31 7.223 5.796 -0.263 219 H THR 32 H THR 32 1.646 11.573 2.514 220 HA THR 32 HA THR 32 0.564 10.828 5.153 221 HB THR 32 HB THR 32 0.260 13.255 5.615 222 HG1 THR 32 1HG THR 32 2.043 14.331 4.029 223 HG21 THR 32 1HG2 THR 32 2.214 11.978 6.471 224 HG22 THR 32 2HG2 THR 32 2.554 13.692 6.230 225 HG23 THR 32 3HG2 THR 32 3.132 12.505 5.060 226 H THR 33 H THR 33 -0.217 13.302 2.712 227 HA THR 33 HA THR 33 -3.036 12.695 2.975 228 HB THR 33 HB THR 33 -3.404 14.585 1.469 229 HG1 THR 33 1HG THR 33 -0.653 15.154 1.403 230 HG21 THR 33 1HG2 THR 33 -1.361 15.142 3.624 231 HG22 THR 33 2HG2 THR 33 -3.113 15.095 3.821 232 HG23 THR 33 3HG2 THR 33 -2.369 16.362 2.847 233 H SER 34 H SER 34 -1.375 10.624 1.844 234 HA SER 34 HA SER 34 -2.541 10.480 -0.861 235 HB2 SER 34 1HB SER 34 -0.150 10.650 -1.093 236 HB3 SER 34 2HB SER 34 0.109 9.403 0.128 237 HG SER 34 HG SER 34 -1.092 9.066 -2.423 238 H TRP 35 H TRP 35 -1.927 8.884 2.169 239 HA TRP 35 HA TRP 35 -3.428 6.530 1.228 240 HB2 TRP 35 1HB TRP 35 -1.734 6.622 3.719 241 HB3 TRP 35 2HB TRP 35 -2.309 5.208 2.840 242 HD1 TRP 35 HD TRP 35 0.215 8.110 2.404 243 HE1 TRP 35 1HE TRP 35 2.127 7.282 0.892 244 HE3 TRP 35 3HE TRP 35 -1.626 3.488 1.226 245 HZ2 TRP 35 2HZ TRP 35 2.768 4.975 -0.603 246 HZ3 TRP 35 3HZ TRP 35 -0.302 2.033 -0.250 247 HH2 TRP 35 HH TRP 35 1.849 2.763 -1.146 248 H ARG 36 H ARG 36 -3.940 9.331 2.763 249 HA ARG 36 HA ARG 36 -5.238 8.693 5.153 250 HB2 ARG 36 1HB ARG 36 -4.613 10.995 4.332 251 HB3 ARG 36 2HB ARG 36 -6.018 10.926 3.276 252 HG2 ARG 36 1HG ARG 36 -7.240 10.369 5.558 253 HG3 ARG 36 2HG ARG 36 -5.862 11.253 6.217 254 HD2 ARG 36 1HD ARG 36 -6.415 13.206 5.038 255 HD3 ARG 36 2HD ARG 36 -7.506 12.344 3.954 256 HE ARG 36 HE ARG 36 -8.329 12.235 6.697 257 HH11 ARG 36 1HH1 ARG 36 -8.390 14.143 3.786 258 HH12 ARG 36 2HH1 ARG 36 -9.835 14.995 4.219 259 HH21 ARG 36 1HH2 ARG 36 -10.233 13.349 7.278 260 HH22 ARG 36 2HH2 ARG 36 -10.883 14.543 6.206 261 H ASP 37 H ASP 37 -6.586 9.088 1.884 262 HA ASP 37 HA ASP 37 -9.245 8.470 2.582 263 HB2 ASP 37 1HB ASP 37 -7.715 8.478 -0.001 264 HB3 ASP 37 2HB ASP 37 -9.367 7.870 0.051 265 H GLY 38 H GLY 38 -6.942 6.433 0.762 266 HA2 GLY 38 1HA GLY 38 -6.674 4.154 1.933 267 HA3 GLY 38 2HA GLY 38 -8.419 4.076 1.729 268 H LEU 39 H LEU 39 -8.412 5.364 -0.872 269 HA LEU 39 HA LEU 39 -8.489 3.291 -2.593 270 HB2 LEU 39 1HB LEU 39 -7.631 6.126 -3.091 271 HB3 LEU 39 2HB LEU 39 -7.826 4.961 -4.400 272 HG LEU 39 HG LEU 39 -10.008 5.847 -2.513 273 HD11 LEU 39 1HD1 LEU 39 -9.345 7.648 -3.994 274 HD12 LEU 39 2HD1 LEU 39 -10.915 7.009 -4.476 275 HD13 LEU 39 3HD1 LEU 39 -9.470 6.576 -5.389 276 HD21 LEU 39 1HD2 LEU 39 -10.076 4.096 -4.968 277 HD22 LEU 39 2HD2 LEU 39 -11.488 4.670 -4.082 278 HD23 LEU 39 3HD2 LEU 39 -10.342 3.577 -3.303 279 H ALA 40 H ALA 40 -5.589 5.208 -1.873 280 HA ALA 40 HA ALA 40 -3.773 4.155 -3.616 281 HB1 ALA 40 1HB ALA 40 -2.438 4.302 -1.130 282 HB2 ALA 40 2HB ALA 40 -2.460 5.492 -2.431 283 HB3 ALA 40 3HB ALA 40 -3.665 5.570 -1.146 284 H PHE 41 H PHE 41 -4.388 2.856 -0.347 285 HA PHE 41 HA PHE 41 -2.801 0.573 -0.613 286 HB2 PHE 41 1HB PHE 41 -5.211 1.133 1.115 287 HB3 PHE 41 2HB PHE 41 -4.269 -0.348 1.243 288 HD1 PHE 41 1HD PHE 41 -1.577 0.277 1.244 289 HD2 PHE 41 2HD PHE 41 -4.769 2.649 2.763 290 HE1 PHE 41 1HE PHE 41 -0.009 1.406 2.765 291 HE2 PHE 41 2HE PHE 41 -3.205 3.784 4.286 292 HZ PHE 41 HZ PHE 41 -0.821 3.163 4.289 293 H ASN 42 H ASN 42 -6.162 1.160 -1.469 294 HA ASN 42 HA ASN 42 -6.687 -1.583 -2.149 295 HB2 ASN 42 1HB ASN 42 -8.254 0.938 -2.739 296 HB3 ASN 42 2HB ASN 42 -8.831 -0.702 -3.029 297 HD21 ASN 42 1HD2 ASN 42 -8.731 1.826 -0.865 298 HD22 ASN 42 2HD2 ASN 42 -9.251 0.986 0.552 299 H ALA 43 H ALA 43 -4.752 0.585 -3.564 300 HA ALA 43 HA ALA 43 -5.512 -0.063 -6.320 301 HB1 ALA 43 1HB ALA 43 -4.099 1.717 -7.022 302 HB2 ALA 43 2HB ALA 43 -5.048 2.311 -5.659 303 HB3 ALA 43 3HB ALA 43 -3.364 1.846 -5.423 304 H ILE 44 H ILE 44 -2.875 -0.403 -4.007 305 HA ILE 44 HA ILE 44 -0.985 -1.535 -5.764 306 HB ILE 44 HB ILE 44 -1.257 -1.983 -2.790 307 HG12 ILE 44 1HG1 ILE 44 0.609 -0.037 -4.120 308 HG13 ILE 44 2HG1 ILE 44 -1.042 0.427 -3.720 309 HG21 ILE 44 1HG2 ILE 44 0.236 -3.608 -3.462 310 HG22 ILE 44 2HG2 ILE 44 0.871 -2.625 -4.782 311 HG23 ILE 44 3HG2 ILE 44 1.312 -2.254 -3.114 312 HD11 ILE 44 1HD1 ILE 44 0.709 -0.768 -1.624 313 HD12 ILE 44 2HD1 ILE 44 0.884 0.931 -2.066 314 HD13 ILE 44 3HD1 ILE 44 -0.658 0.333 -1.456 315 H VAL 45 H VAL 45 -3.221 -3.083 -3.461 316 HA VAL 45 HA VAL 45 -2.568 -5.734 -4.120 317 HB VAL 45 HB VAL 45 -5.177 -4.650 -3.051 318 HG11 VAL 45 1HG1 VAL 45 -4.285 -7.413 -2.480 319 HG12 VAL 45 2HG1 VAL 45 -5.913 -6.767 -2.692 320 HG13 VAL 45 3HG1 VAL 45 -4.899 -7.088 -4.100 321 HG21 VAL 45 1HG2 VAL 45 -4.291 -5.318 -0.861 322 HG22 VAL 45 2HG2 VAL 45 -2.766 -5.770 -1.624 323 HG23 VAL 45 3HG2 VAL 45 -3.288 -4.086 -1.627 324 H HIS 46 H HIS 46 -5.474 -3.891 -5.072 325 HA HIS 46 HA HIS 46 -6.694 -5.574 -6.775 326 HB2 HIS 46 1HB HIS 46 -7.388 -3.217 -6.290 327 HB3 HIS 46 2HB HIS 46 -6.192 -2.672 -7.462 328 HD1 HIS 46 1HD HIS 46 -6.743 -2.990 -9.952 329 HD2 HIS 46 2HD HIS 46 -9.686 -4.411 -7.387 330 HE1 HIS 46 1HE HIS 46 -8.745 -3.431 -11.407 331 HE2 HIS 46 2HE HIS 46 -10.540 -4.210 -9.821 332 H LYS 47 H LYS 47 -3.732 -3.799 -7.444 333 HA LYS 47 HA LYS 47 -3.538 -4.366 -10.192 334 HB2 LYS 47 1HB LYS 47 -2.178 -2.672 -8.961 335 HB3 LYS 47 2HB LYS 47 -1.262 -3.988 -8.239 336 HG2 LYS 47 1HG LYS 47 0.101 -3.397 -9.980 337 HG3 LYS 47 2HG LYS 47 -0.853 -4.685 -10.719 338 HD2 LYS 47 1HD LYS 47 -2.164 -3.174 -11.933 339 HD3 LYS 47 2HD LYS 47 -1.697 -1.811 -10.914 340 HE2 LYS 47 1HE LYS 47 -0.446 -1.436 -12.816 341 HE3 LYS 47 2HE LYS 47 0.696 -2.314 -11.800 342 HZ1 LYS 47 1HZ LYS 47 0.286 -2.990 -14.284 343 HZ2 LYS 47 2HZ LYS 47 -1.006 -3.855 -13.618 344 HZ3 LYS 47 3HZ LYS 47 0.576 -4.162 -13.099 345 H HIS 48 H HIS 48 -2.327 -6.102 -7.349 346 HA HIS 48 HA HIS 48 -1.140 -8.190 -8.937 347 HB2 HIS 48 1HB HIS 48 -1.709 -8.340 -5.982 348 HB3 HIS 48 2HB HIS 48 -0.437 -9.150 -6.893 349 HD1 HIS 48 1HD HIS 48 0.929 -6.883 -8.307 350 HD2 HIS 48 2HD HIS 48 -0.405 -6.596 -4.383 351 HE1 HIS 48 1HE HIS 48 2.292 -5.045 -7.267 352 HE2 HIS 48 2HE HIS 48 1.528 -4.946 -4.869 353 H ARG 49 H ARG 49 -3.959 -7.928 -6.785 354 HA ARG 49 HA ARG 49 -5.146 -10.209 -8.210 355 HB2 ARG 49 1HB ARG 49 -5.290 -9.762 -5.223 356 HB3 ARG 49 2HB ARG 49 -6.060 -11.068 -6.113 357 HG2 ARG 49 1HG ARG 49 -3.087 -10.668 -6.127 358 HG3 ARG 49 2HG ARG 49 -3.908 -11.609 -4.880 359 HD2 ARG 49 1HD ARG 49 -4.121 -12.131 -7.843 360 HD3 ARG 49 2HD ARG 49 -3.023 -12.980 -6.755 361 HE ARG 49 HE ARG 49 -5.882 -13.341 -6.979 362 HH11 ARG 49 1HH1 ARG 49 -3.028 -13.850 -5.052 363 HH12 ARG 49 2HH1 ARG 49 -3.709 -15.168 -4.156 364 HH21 ARG 49 1HH2 ARG 49 -6.790 -15.075 -5.807 365 HH22 ARG 49 2HH2 ARG 49 -5.849 -15.864 -4.588 366 HA PRO 50 HA PRO 50 -8.095 -6.731 -8.421 367 HB2 PRO 50 1HB PRO 50 -9.195 -7.541 -10.767 368 HB3 PRO 50 2HB PRO 50 -7.704 -6.596 -10.682 369 HG2 PRO 50 1HG PRO 50 -8.058 -9.545 -11.051 370 HG3 PRO 50 2HG PRO 50 -6.947 -8.439 -11.880 371 HD2 PRO 50 1HD PRO 50 -6.156 -10.048 -9.850 372 HD3 PRO 50 2HD PRO 50 -5.437 -8.450 -10.139 373 H ASP 51 H ASP 51 -8.340 -10.010 -7.869 374 HA ASP 51 HA ASP 51 -11.236 -10.162 -8.014 375 HB2 ASP 51 1HB ASP 51 -9.908 -12.124 -8.646 376 HB3 ASP 51 2HB ASP 51 -9.201 -12.176 -7.033 377 H LEU 52 H LEU 52 -8.708 -10.237 -5.524 378 HA LEU 52 HA LEU 52 -10.080 -10.688 -3.245 379 HB2 LEU 52 1HB LEU 52 -8.044 -8.505 -3.667 380 HB3 LEU 52 2HB LEU 52 -8.544 -9.134 -2.099 381 HG LEU 52 HG LEU 52 -6.965 -10.548 -4.238 382 HD11 LEU 52 1HD1 LEU 52 -5.327 -9.578 -3.054 383 HD12 LEU 52 2HD1 LEU 52 -5.660 -10.848 -1.877 384 HD13 LEU 52 3HD1 LEU 52 -6.377 -9.251 -1.675 385 HD21 LEU 52 1HD2 LEU 52 -8.624 -11.628 -2.050 386 HD22 LEU 52 2HD2 LEU 52 -7.002 -12.302 -2.204 387 HD23 LEU 52 3HD2 LEU 52 -8.118 -12.370 -3.568 388 H LEU 53 H LEU 53 -9.685 -7.405 -4.592 389 HA LEU 53 HA LEU 53 -12.317 -6.728 -3.465 390 HB2 LEU 53 1HB LEU 53 -11.535 -4.581 -2.774 391 HB3 LEU 53 2HB LEU 53 -10.476 -5.810 -2.084 392 HG LEU 53 HG LEU 53 -9.834 -4.094 -4.482 393 HD11 LEU 53 1HD1 LEU 53 -9.810 -2.697 -2.572 394 HD12 LEU 53 2HD1 LEU 53 -8.132 -3.128 -2.899 395 HD13 LEU 53 3HD1 LEU 53 -9.008 -3.928 -1.594 396 HD21 LEU 53 1HD2 LEU 53 -8.424 -5.788 -4.906 397 HD22 LEU 53 2HD2 LEU 53 -8.586 -6.465 -3.286 398 HD23 LEU 53 3HD2 LEU 53 -7.488 -5.115 -3.572 399 H ASP 54 H ASP 54 -13.421 -4.979 -4.545 400 HA ASP 54 HA ASP 54 -12.709 -4.845 -7.390 401 HB2 ASP 54 1HB ASP 54 -15.341 -4.304 -5.998 402 HB3 ASP 54 2HB ASP 54 -15.070 -4.165 -7.733 403 H PHE 55 H PHE 55 -11.074 -3.216 -6.885 404 HA PHE 55 HA PHE 55 -11.323 -0.818 -5.667 405 HB2 PHE 55 1HB PHE 55 -9.341 -1.722 -7.002 406 HB3 PHE 55 2HB PHE 55 -10.107 -1.013 -8.420 407 HD1 PHE 55 1HD PHE 55 -9.519 0.133 -4.914 408 HD2 PHE 55 2HD PHE 55 -9.069 0.918 -9.074 409 HE1 PHE 55 1HE PHE 55 -8.475 2.298 -4.389 410 HE2 PHE 55 2HE PHE 55 -8.022 3.083 -8.555 411 HZ PHE 55 HZ PHE 55 -7.722 3.775 -6.211 412 H GLU 56 H GLU 56 -12.469 -1.562 -8.943 413 HA GLU 56 HA GLU 56 -13.415 0.987 -9.597 414 HB2 GLU 56 1HB GLU 56 -14.715 -0.094 -11.324 415 HB3 GLU 56 2HB GLU 56 -13.142 -0.874 -11.211 416 HG2 GLU 56 1HG GLU 56 -14.250 -2.617 -9.762 417 HG3 GLU 56 2HG GLU 56 -15.789 -1.901 -10.236 418 H SER 57 H SER 57 -14.944 -1.678 -7.867 419 HA SER 57 HA SER 57 -17.528 -0.505 -7.735 420 HB2 SER 57 1HB SER 57 -17.055 -2.943 -7.418 421 HB3 SER 57 2HB SER 57 -16.331 -2.555 -5.858 422 HG SER 57 HG SER 57 -18.889 -1.576 -6.343 423 H LEU 58 H LEU 58 -14.766 -0.570 -5.520 424 HA LEU 58 HA LEU 58 -15.838 0.588 -3.280 425 HB2 LEU 58 1HB LEU 58 -13.143 1.283 -4.430 426 HB3 LEU 58 2HB LEU 58 -13.633 1.381 -2.740 427 HG LEU 58 HG LEU 58 -13.393 -1.187 -4.306 428 HD11 LEU 58 1HD1 LEU 58 -11.512 -0.685 -2.130 429 HD12 LEU 58 2HD1 LEU 58 -11.312 0.393 -3.511 430 HD13 LEU 58 3HD1 LEU 58 -11.238 -1.354 -3.738 431 HD21 LEU 58 1HD2 LEU 58 -13.831 -0.615 -1.378 432 HD22 LEU 58 2HD2 LEU 58 -13.488 -2.207 -2.055 433 HD23 LEU 58 3HD2 LEU 58 -14.973 -1.364 -2.494 434 H LYS 59 H LYS 59 -16.326 2.628 -2.583 435 HA LYS 59 HA LYS 59 -16.545 4.670 -4.679 436 HB2 LYS 59 1HB LYS 59 -18.021 4.153 -2.120 437 HB3 LYS 59 2HB LYS 59 -18.031 5.762 -2.830 438 HG2 LYS 59 1HG LYS 59 -19.205 5.069 -4.705 439 HG3 LYS 59 2HG LYS 59 -18.771 3.374 -4.471 440 HD2 LYS 59 1HD LYS 59 -20.386 4.749 -2.377 441 HD3 LYS 59 2HD LYS 59 -21.178 4.253 -3.874 442 HE2 LYS 59 1HE LYS 59 -19.532 2.403 -2.160 443 HE3 LYS 59 2HE LYS 59 -21.279 2.579 -2.007 444 HZ1 LYS 59 1HZ LYS 59 -20.126 1.966 -4.638 445 HZ2 LYS 59 2HZ LYS 59 -21.649 1.573 -4.017 446 HZ3 LYS 59 3HZ LYS 59 -20.280 0.724 -3.500 447 H LYS 60 H LYS 60 -16.335 6.977 -3.859 448 HA LYS 60 HA LYS 60 -13.922 7.152 -2.183 449 HB2 LYS 60 1HB LYS 60 -14.057 7.984 -4.678 450 HB3 LYS 60 2HB LYS 60 -14.829 9.387 -3.951 451 HG2 LYS 60 1HG LYS 60 -12.857 9.701 -2.514 452 HG3 LYS 60 2HG LYS 60 -12.081 8.330 -3.311 453 HD2 LYS 60 1HD LYS 60 -11.202 10.067 -4.524 454 HD3 LYS 60 2HD LYS 60 -12.636 9.704 -5.487 455 HE2 LYS 60 1HE LYS 60 -13.765 11.457 -3.899 456 HE3 LYS 60 2HE LYS 60 -12.106 11.997 -3.651 457 HZ1 LYS 60 1HZ LYS 60 -11.873 12.538 -5.895 458 HZ2 LYS 60 2HZ LYS 60 -13.420 13.095 -5.502 459 HZ3 LYS 60 3HZ LYS 60 -13.236 11.649 -6.362 460 H CYS 61 H CYS 61 -16.313 6.914 -0.846 461 HA CYS 61 HA CYS 61 -16.834 9.653 0.105 462 HB2 CYS 61 1HB CYS 61 -18.756 8.278 -0.898 463 HB3 CYS 61 2HB CYS 61 -18.655 7.296 0.559 464 HG CYS 61 HG CYS 61 -20.678 8.831 1.296 465 H ASN 62 H ASN 62 -17.007 6.315 1.360 466 HA ASN 62 HA ASN 62 -16.222 7.275 3.993 467 HB2 ASN 62 1HB ASN 62 -17.299 4.682 2.930 468 HB3 ASN 62 2HB ASN 62 -16.531 4.738 4.514 469 HD21 ASN 62 1HD2 ASN 62 -17.357 6.581 5.923 470 HD22 ASN 62 2HD2 ASN 62 -19.070 6.802 5.950 471 H ALA 63 H ALA 63 -14.105 7.575 4.274 472 HA ALA 63 HA ALA 63 -12.101 6.152 2.833 473 HB1 ALA 63 1HB ALA 63 -12.218 8.390 4.638 474 HB2 ALA 63 2HB ALA 63 -10.885 7.316 5.061 475 HB3 ALA 63 3HB ALA 63 -10.997 7.983 3.433 476 H HIS 64 H HIS 64 -12.943 6.189 6.304 477 HA HIS 64 HA HIS 64 -11.283 4.326 7.322 478 HB2 HIS 64 1HB HIS 64 -13.239 5.551 8.459 479 HB3 HIS 64 2HB HIS 64 -14.225 4.183 7.954 480 HD1 HIS 64 1HD HIS 64 -10.891 4.587 9.764 481 HD2 HIS 64 2HD HIS 64 -14.396 2.363 9.931 482 HE1 HIS 64 1HE HIS 64 -10.634 3.075 11.757 483 HE2 HIS 64 2HE HIS 64 -12.731 1.680 11.788 484 H TYR 65 H TYR 65 -14.480 3.433 6.005 485 HA TYR 65 HA TYR 65 -14.266 0.711 6.088 486 HB2 TYR 65 1HB TYR 65 -16.328 1.692 5.397 487 HB3 TYR 65 2HB TYR 65 -15.571 2.468 4.010 488 HD1 TYR 65 1HD TYR 65 -16.825 -0.705 5.367 489 HD2 TYR 65 2HD TYR 65 -15.136 1.237 1.980 490 HE1 TYR 65 1HE TYR 65 -17.429 -2.635 3.968 491 HE2 TYR 65 2HE TYR 65 -15.734 -0.688 0.570 492 HH TYR 65 HH TYR 65 -17.835 -3.158 1.629 493 H ASN 66 H ASN 66 -13.167 2.818 3.441 494 HA ASN 66 HA ASN 66 -12.169 0.799 1.778 495 HB2 ASN 66 1HB ASN 66 -11.513 3.722 2.071 496 HB3 ASN 66 2HB ASN 66 -10.667 2.709 0.905 497 HD21 ASN 66 1HD2 ASN 66 -12.769 4.969 0.863 498 HD22 ASN 66 2HD2 ASN 66 -13.919 4.405 -0.296 499 H LEU 67 H LEU 67 -10.633 2.633 4.381 500 HA LEU 67 HA LEU 67 -8.028 1.600 4.008 501 HB2 LEU 67 1HB LEU 67 -9.424 2.862 6.348 502 HB3 LEU 67 2HB LEU 67 -7.755 2.304 6.446 503 HG LEU 67 HG LEU 67 -8.652 4.307 4.391 504 HD11 LEU 67 1HD1 LEU 67 -9.198 5.123 6.667 505 HD12 LEU 67 2HD1 LEU 67 -7.959 6.078 5.854 506 HD13 LEU 67 3HD1 LEU 67 -7.502 4.924 7.106 507 HD21 LEU 67 1HD2 LEU 67 -5.964 3.672 5.603 508 HD22 LEU 67 2HD2 LEU 67 -6.284 4.883 4.363 509 HD23 LEU 67 3HD2 LEU 67 -6.519 3.171 4.006 510 H GLN 68 H GLN 68 -10.156 0.932 6.786 511 HA GLN 68 HA GLN 68 -8.922 -1.247 7.817 512 HB2 GLN 68 1HB GLN 68 -10.896 -1.763 8.935 513 HB3 GLN 68 2HB GLN 68 -11.104 -0.059 8.549 514 HG2 GLN 68 1HG GLN 68 -12.565 -0.569 6.739 515 HG3 GLN 68 2HG GLN 68 -12.217 -2.292 6.873 516 HE21 GLN 68 1HE2 GLN 68 -14.781 -1.576 6.870 517 HE22 GLN 68 2HE2 GLN 68 -15.474 -1.720 8.446 518 H ASN 69 H ASN 69 -11.075 -1.205 5.023 519 HA ASN 69 HA ASN 69 -11.383 -3.945 4.643 520 HB2 ASN 69 1HB ASN 69 -12.626 -2.185 3.400 521 HB3 ASN 69 2HB ASN 69 -11.161 -1.832 2.487 522 HD21 ASN 69 1HD2 ASN 69 -10.747 -2.973 0.712 523 HD22 ASN 69 2HD2 ASN 69 -11.627 -4.367 0.196 524 H ALA 70 H ALA 70 -8.988 -1.788 3.113 525 HA ALA 70 HA ALA 70 -7.550 -3.725 1.740 526 HB1 ALA 70 1HB ALA 70 -5.606 -1.942 2.344 527 HB2 ALA 70 2HB ALA 70 -6.798 -1.715 1.065 528 HB3 ALA 70 3HB ALA 70 -7.049 -0.974 2.645 529 H PHE 71 H PHE 71 -6.748 -2.315 4.921 530 HA PHE 71 HA PHE 71 -4.555 -3.833 5.553 531 HB2 PHE 71 1HB PHE 71 -6.751 -2.940 7.432 532 HB3 PHE 71 2HB PHE 71 -5.144 -3.464 7.927 533 HD1 PHE 71 2HD PHE 71 -3.417 -2.147 5.986 534 HD2 PHE 71 1HD PHE 71 -6.893 -0.701 7.973 535 HE1 PHE 71 2HE PHE 71 -2.591 0.158 5.746 536 HE2 PHE 71 1HE PHE 71 -6.073 1.606 7.735 537 HZ PHE 71 HZ PHE 71 -3.919 2.039 6.622 538 H ASN 72 H ASN 72 -7.953 -4.648 6.227 539 HA ASN 72 HA ASN 72 -7.516 -7.103 7.469 540 HB2 ASN 72 1HB ASN 72 -9.847 -6.169 5.783 541 HB3 ASN 72 2HB ASN 72 -9.858 -7.643 6.747 542 HD21 ASN 72 1HD2 ASN 72 -11.329 -4.986 6.830 543 HD22 ASN 72 2HD2 ASN 72 -11.207 -4.500 8.484 544 H LEU 73 H LEU 73 -8.389 -6.523 4.058 545 HA LEU 73 HA LEU 73 -8.248 -9.091 3.108 546 HB2 LEU 73 1HB LEU 73 -7.734 -6.422 1.906 547 HB3 LEU 73 2HB LEU 73 -7.283 -7.850 0.977 548 HG LEU 73 HG LEU 73 -10.044 -7.120 1.946 549 HD11 LEU 73 1HD1 LEU 73 -8.685 -7.098 -0.726 550 HD12 LEU 73 2HD1 LEU 73 -9.589 -5.811 0.070 551 HD13 LEU 73 3HD1 LEU 73 -10.438 -7.213 -0.581 552 HD21 LEU 73 1HD2 LEU 73 -8.921 -9.634 0.800 553 HD22 LEU 73 2HD2 LEU 73 -10.563 -9.150 0.376 554 HD23 LEU 73 3HD2 LEU 73 -10.128 -9.413 2.066 555 H ALA 74 H ALA 74 -5.568 -6.772 3.382 556 HA ALA 74 HA ALA 74 -3.596 -8.584 2.416 557 HB1 ALA 74 1HB ALA 74 -2.787 -6.493 2.153 558 HB2 ALA 74 2HB ALA 74 -3.622 -5.872 3.578 559 HB3 ALA 74 3HB ALA 74 -2.125 -6.787 3.763 560 H GLU 75 H GLU 75 -4.953 -7.893 5.551 561 HA GLU 75 HA GLU 75 -2.883 -9.180 7.054 562 HB2 GLU 75 1HB GLU 75 -4.548 -7.399 7.870 563 HB3 GLU 75 2HB GLU 75 -5.698 -8.721 8.013 564 HG2 GLU 75 1HG GLU 75 -3.015 -8.816 9.342 565 HG3 GLU 75 2HG GLU 75 -4.405 -8.039 10.097 566 H LYS 76 H LYS 76 -5.533 -10.265 5.221 567 HA LYS 76 HA LYS 76 -5.531 -12.871 6.584 568 HB2 LYS 76 1HB LYS 76 -7.710 -11.584 6.242 569 HB3 LYS 76 2HB LYS 76 -7.532 -11.942 4.530 570 HG2 LYS 76 1HG LYS 76 -7.313 -14.405 5.361 571 HG3 LYS 76 2HG LYS 76 -8.122 -13.779 6.801 572 HD2 LYS 76 1HD LYS 76 -9.222 -13.200 4.077 573 HD3 LYS 76 2HD LYS 76 -9.542 -14.752 4.854 574 HE2 LYS 76 1HE LYS 76 -10.460 -13.559 6.803 575 HE3 LYS 76 2HE LYS 76 -10.179 -12.025 5.979 576 HZ1 LYS 76 1HZ LYS 76 -11.792 -14.093 4.653 577 HZ2 LYS 76 2HZ LYS 76 -11.863 -12.412 4.492 578 HZ3 LYS 76 3HZ LYS 76 -12.497 -13.156 5.872 579 H GLU 77 H GLU 77 -5.997 -11.695 3.245 580 HA GLU 77 HA GLU 77 -5.239 -14.054 1.977 581 HB2 GLU 77 1HB GLU 77 -5.285 -11.181 1.113 582 HB3 GLU 77 2HB GLU 77 -4.644 -12.418 0.041 583 HG2 GLU 77 1HG GLU 77 -7.366 -12.662 1.266 584 HG3 GLU 77 2HG GLU 77 -7.092 -11.755 -0.221 585 H LEU 78 H LEU 78 -3.253 -11.093 2.062 586 HA LEU 78 HA LEU 78 -0.868 -12.442 1.370 587 HB2 LEU 78 1HB LEU 78 -1.017 -9.810 2.813 588 HB3 LEU 78 2HB LEU 78 0.237 -10.379 1.712 589 HG LEU 78 HG LEU 78 -2.582 -9.785 0.834 590 HD11 LEU 78 1HD1 LEU 78 -1.311 -7.814 1.840 591 HD12 LEU 78 2HD1 LEU 78 -1.947 -7.623 0.206 592 HD13 LEU 78 3HD1 LEU 78 -0.233 -7.958 0.450 593 HD21 LEU 78 1HD2 LEU 78 -1.783 -10.944 -0.923 594 HD22 LEU 78 2HD2 LEU 78 -0.100 -10.698 -0.460 595 HD23 LEU 78 3HD2 LEU 78 -0.978 -9.423 -1.306 596 H GLY 79 H GLY 79 -2.251 -11.429 4.459 597 HA2 GLY 79 1HA GLY 79 -1.886 -12.439 6.533 598 HA3 GLY 79 2HA GLY 79 -0.564 -13.358 5.827 599 H LEU 80 H LEU 80 -1.086 -9.849 5.888 600 HA LEU 80 HA LEU 80 1.572 -9.553 7.078 601 HB2 LEU 80 1HB LEU 80 -0.243 -7.603 5.676 602 HB3 LEU 80 2HB LEU 80 1.282 -7.148 6.434 603 HG LEU 80 HG LEU 80 1.133 -9.201 4.243 604 HD11 LEU 80 1HD1 LEU 80 2.140 -6.717 3.300 605 HD12 LEU 80 2HD1 LEU 80 0.548 -6.442 4.005 606 HD13 LEU 80 3HD1 LEU 80 0.750 -7.638 2.723 607 HD21 LEU 80 1HD2 LEU 80 3.526 -7.939 4.065 608 HD22 LEU 80 2HD2 LEU 80 3.247 -9.429 4.968 609 HD23 LEU 80 3HD2 LEU 80 3.237 -7.876 5.804 610 H THR 81 H THR 81 1.888 -8.783 9.078 611 HA THR 81 HA THR 81 -0.268 -8.604 10.901 612 HB THR 81 HB THR 81 2.564 -7.618 11.293 613 HG1 THR 81 1HG THR 81 1.411 -10.163 11.297 614 HG21 THR 81 1HG2 THR 81 1.582 -6.811 13.172 615 HG22 THR 81 2HG2 THR 81 1.754 -8.482 13.709 616 HG23 THR 81 3HG2 THR 81 0.213 -7.918 13.060 617 H LYS 82 H LYS 82 -1.642 -6.981 11.151 618 HA LYS 82 HA LYS 82 -1.409 -4.483 9.906 619 HB2 LYS 82 1HB LYS 82 -3.189 -5.644 11.996 620 HB3 LYS 82 2HB LYS 82 -3.202 -3.899 11.780 621 HG2 LYS 82 1HG LYS 82 -3.561 -4.429 9.286 622 HG3 LYS 82 2HG LYS 82 -4.003 -6.041 9.851 623 HD2 LYS 82 1HD LYS 82 -5.255 -3.538 10.956 624 HD3 LYS 82 2HD LYS 82 -5.900 -4.376 9.544 625 HE2 LYS 82 1HE LYS 82 -7.134 -5.364 11.200 626 HE3 LYS 82 2HE LYS 82 -5.760 -6.467 11.137 627 HZ1 LYS 82 1HZ LYS 82 -4.890 -5.634 13.086 628 HZ2 LYS 82 2HZ LYS 82 -6.550 -5.578 13.403 629 HZ3 LYS 82 3HZ LYS 82 -5.723 -4.166 12.975 630 H LEU 83 H LEU 83 0.057 -2.978 10.341 631 HA LEU 83 HA LEU 83 1.073 -2.689 13.066 632 HB2 LEU 83 1HB LEU 83 2.026 -1.248 10.604 633 HB3 LEU 83 2HB LEU 83 2.873 -1.451 12.137 634 HG LEU 83 HG LEU 83 2.246 -3.721 10.254 635 HD11 LEU 83 1HD1 LEU 83 3.920 -3.062 8.965 636 HD12 LEU 83 2HD1 LEU 83 5.012 -3.165 10.345 637 HD13 LEU 83 3HD1 LEU 83 4.184 -1.649 9.987 638 HD21 LEU 83 1HD2 LEU 83 4.376 -4.480 11.719 639 HD22 LEU 83 2HD2 LEU 83 2.706 -4.836 12.159 640 HD23 LEU 83 3HD2 LEU 83 3.538 -3.463 12.890 641 H LEU 84 H LEU 84 -0.664 -0.917 10.578 642 HA LEU 84 HA LEU 84 -0.990 1.338 12.440 643 HB2 LEU 84 1HB LEU 84 -1.384 1.194 9.455 644 HB3 LEU 84 2HB LEU 84 -1.710 2.615 10.444 645 HG LEU 84 HG LEU 84 1.005 1.343 10.111 646 HD11 LEU 84 1HD1 LEU 84 -0.467 3.021 8.341 647 HD12 LEU 84 2HD1 LEU 84 1.177 2.406 8.177 648 HD13 LEU 84 3HD1 LEU 84 0.888 3.937 9.003 649 HD21 LEU 84 1HD2 LEU 84 1.361 2.500 12.004 650 HD22 LEU 84 2HD2 LEU 84 -0.079 3.496 11.791 651 HD23 LEU 84 3HD2 LEU 84 1.405 3.895 10.926 652 H ASP 85 H ASP 85 -3.189 2.516 11.968 653 HA ASP 85 HA ASP 85 -5.322 0.489 11.844 654 HB2 ASP 85 1HB ASP 85 -5.068 2.807 13.768 655 HB3 ASP 85 2HB ASP 85 -6.539 1.859 13.562 656 HA PRO 86 HA PRO 86 -7.262 3.042 8.843 657 HB2 PRO 86 1HB PRO 86 -9.868 2.404 9.267 658 HB3 PRO 86 2HB PRO 86 -8.721 1.300 8.499 659 HG2 PRO 86 1HG PRO 86 -9.677 1.367 11.336 660 HG3 PRO 86 2HG PRO 86 -9.442 -0.028 10.266 661 HD2 PRO 86 1HD PRO 86 -7.642 0.671 12.165 662 HD3 PRO 86 2HD PRO 86 -7.166 -0.083 10.631 663 H GLU 87 H GLU 87 -7.424 3.660 12.094 664 HA GLU 87 HA GLU 87 -9.167 6.004 11.722 665 HB2 GLU 87 1HB GLU 87 -9.360 5.995 14.217 666 HB3 GLU 87 2HB GLU 87 -10.052 4.583 13.433 667 HG2 GLU 87 1HG GLU 87 -7.901 3.383 13.934 668 HG3 GLU 87 2HG GLU 87 -7.455 4.767 14.930 669 H ASP 88 H ASP 88 -6.081 4.881 12.994 670 HA ASP 88 HA ASP 88 -5.211 7.407 13.961 671 HB2 ASP 88 1HB ASP 88 -3.839 4.811 13.332 672 HB3 ASP 88 2HB ASP 88 -2.893 6.242 13.733 673 H VAL 89 H VAL 89 -4.588 5.621 10.956 674 HA VAL 89 HA VAL 89 -2.890 7.582 9.815 675 HB VAL 89 HB VAL 89 -4.531 5.432 8.471 676 HG11 VAL 89 1HG1 VAL 89 -3.107 7.617 7.343 677 HG12 VAL 89 2HG1 VAL 89 -2.225 6.133 6.978 678 HG13 VAL 89 3HG1 VAL 89 -3.920 6.288 6.518 679 HG21 VAL 89 1HG2 VAL 89 -1.609 5.484 9.215 680 HG22 VAL 89 2HG2 VAL 89 -2.865 4.608 10.089 681 HG23 VAL 89 3HG2 VAL 89 -2.468 4.159 8.431 682 H ASN 90 H ASN 90 -6.321 6.806 9.249 683 HA ASN 90 HA ASN 90 -6.854 8.800 7.381 684 HB2 ASN 90 1HB ASN 90 -8.402 6.950 7.876 685 HB3 ASN 90 2HB ASN 90 -8.732 7.651 9.459 686 HD21 ASN 90 1HD2 ASN 90 -10.933 7.367 8.357 687 HD22 ASN 90 2HD2 ASN 90 -11.538 8.757 7.529 688 H VAL 91 H VAL 91 -5.754 10.686 8.049 689 HA VAL 91 HA VAL 91 -7.346 12.397 9.751 690 HB VAL 91 HB VAL 91 -5.779 11.269 11.336 691 HG11 VAL 91 1HG1 VAL 91 -3.713 10.898 10.570 692 HG12 VAL 91 2HG1 VAL 91 -3.854 12.146 9.330 693 HG13 VAL 91 3HG1 VAL 91 -3.394 12.584 10.975 694 HG21 VAL 91 1HG2 VAL 91 -6.716 13.613 11.604 695 HG22 VAL 91 2HG2 VAL 91 -5.278 13.229 12.551 696 HG23 VAL 91 3HG2 VAL 91 -5.135 14.195 11.083 697 H ASP 92 H ASP 92 -6.466 14.658 9.768 698 HA ASP 92 HA ASP 92 -6.132 15.644 7.217 699 HB2 ASP 92 1HB ASP 92 -5.377 16.805 9.895 700 HB3 ASP 92 2HB ASP 92 -5.186 17.710 8.396 701 H GLN 93 H GLN 93 -3.572 15.229 9.666 702 HA GLN 93 HA GLN 93 -1.650 14.879 7.475 703 HB2 GLN 93 1HB GLN 93 -1.308 16.663 9.887 704 HB3 GLN 93 2HB GLN 93 0.014 16.184 8.832 705 HG2 GLN 93 1HG GLN 93 -1.025 17.295 6.959 706 HG3 GLN 93 2HG GLN 93 -2.432 17.695 7.944 707 HE21 GLN 93 1HE2 GLN 93 0.957 18.332 7.394 708 HE22 GLN 93 2HE2 GLN 93 1.008 19.846 8.225 709 HA PRO 94 HA PRO 94 -1.299 11.400 10.458 710 HB2 PRO 94 1HB PRO 94 -0.762 9.545 8.550 711 HB3 PRO 94 2HB PRO 94 -2.407 10.027 8.986 712 HG2 PRO 94 1HG PRO 94 -0.720 10.920 6.679 713 HG3 PRO 94 2HG PRO 94 -2.440 10.490 6.706 714 HD2 PRO 94 1HD PRO 94 -1.580 13.057 6.719 715 HD3 PRO 94 2HD PRO 94 -3.070 12.545 7.538 716 H ASP 95 H ASP 95 0.533 9.632 10.409 717 HA ASP 95 HA ASP 95 3.045 11.100 10.152 718 HB2 ASP 95 1HB ASP 95 2.215 9.743 12.247 719 HB3 ASP 95 2HB ASP 95 2.856 8.366 11.356 720 H GLU 96 H GLU 96 3.897 10.942 8.168 721 HA GLU 96 HA GLU 96 3.503 8.899 6.326 722 HB2 GLU 96 1HB GLU 96 5.613 9.764 5.249 723 HB3 GLU 96 2HB GLU 96 4.376 10.974 5.557 724 HG2 GLU 96 1HG GLU 96 5.732 11.285 7.797 725 HG3 GLU 96 2HG GLU 96 7.035 10.613 6.820 726 H LYS 97 H LYS 97 6.181 9.355 8.616 727 HA LYS 97 HA LYS 97 7.743 7.181 7.902 728 HB2 LYS 97 1HB LYS 97 7.286 8.402 10.628 729 HB3 LYS 97 2HB LYS 97 8.553 7.234 10.274 730 HG2 LYS 97 1HG LYS 97 8.289 9.872 8.855 731 HG3 LYS 97 2HG LYS 97 9.275 9.631 10.299 732 HD2 LYS 97 1HD LYS 97 10.783 8.258 9.195 733 HD3 LYS 97 2HD LYS 97 9.631 7.848 7.922 734 HE2 LYS 97 1HE LYS 97 11.243 9.302 6.959 735 HE3 LYS 97 2HE LYS 97 9.766 10.241 7.170 736 HZ1 LYS 97 1HZ LYS 97 10.673 11.441 8.899 737 HZ2 LYS 97 2HZ LYS 97 12.007 11.255 7.877 738 HZ3 LYS 97 3HZ LYS 97 11.852 10.278 9.250 739 H SER 98 H SER 98 5.059 7.316 10.224 740 HA SER 98 HA SER 98 5.218 4.576 10.952 741 HB2 SER 98 1HB SER 98 4.010 6.629 12.108 742 HB3 SER 98 2HB SER 98 2.638 6.075 11.148 743 HG SER 98 HG SER 98 2.380 4.547 12.550 744 H ILE 99 H ILE 99 4.215 6.064 8.130 745 HA ILE 99 HA ILE 99 2.296 3.953 7.454 746 HB ILE 99 HB ILE 99 2.971 6.549 6.076 747 HG12 ILE 99 1HG1 ILE 99 0.368 5.574 7.265 748 HG13 ILE 99 2HG1 ILE 99 1.514 6.599 8.122 749 HG21 ILE 99 1HG2 ILE 99 2.562 4.814 4.407 750 HG22 ILE 99 2HG2 ILE 99 1.038 4.412 5.194 751 HG23 ILE 99 3HG2 ILE 99 1.251 5.992 4.439 752 HD11 ILE 99 1HD1 ILE 99 -0.084 7.267 5.671 753 HD12 ILE 99 2HD1 ILE 99 -0.173 8.009 7.269 754 HD13 ILE 99 3HD1 ILE 99 1.250 8.261 6.257 755 H ILE 100 H ILE 100 5.407 5.291 6.510 756 HA ILE 100 HA ILE 100 5.785 3.839 4.138 757 HB ILE 100 HB ILE 100 7.832 4.866 6.106 758 HG12 ILE 100 1HG1 ILE 100 7.265 6.064 3.424 759 HG13 ILE 100 2HG1 ILE 100 6.167 6.403 4.756 760 HG21 ILE 100 1HG2 ILE 100 9.493 4.564 4.407 761 HG22 ILE 100 2HG2 ILE 100 8.673 3.024 4.659 762 HG23 ILE 100 3HG2 ILE 100 8.280 4.012 3.251 763 HD11 ILE 100 1HD1 ILE 100 8.186 7.977 4.237 764 HD12 ILE 100 2HD1 ILE 100 7.720 7.628 5.901 765 HD13 ILE 100 3HD1 ILE 100 9.087 6.784 5.172 766 H THR 101 H THR 101 6.369 3.016 7.508 767 HA THR 101 HA THR 101 7.882 0.685 7.109 768 HB THR 101 HB THR 101 5.939 1.079 9.382 769 HG1 THR 101 1HG THR 101 8.617 1.975 9.457 770 HG21 THR 101 1HG2 THR 101 8.402 0.044 10.242 771 HG22 THR 101 2HG2 THR 101 8.003 -0.827 8.761 772 HG23 THR 101 3HG2 THR 101 6.867 -0.813 10.110 773 H TYR 102 H TYR 102 4.380 1.165 7.409 774 HA TYR 102 HA TYR 102 3.701 -1.580 7.249 775 HB2 TYR 102 1HB TYR 102 2.225 0.270 8.121 776 HB3 TYR 102 2HB TYR 102 1.958 0.756 6.451 777 HD1 TYR 102 2HD TYR 102 1.300 -1.393 4.898 778 HD2 TYR 102 1HD TYR 102 0.548 -0.985 9.066 779 HE1 TYR 102 2HE TYR 102 -0.540 -3.015 4.718 780 HE2 TYR 102 1HE TYR 102 -1.294 -2.607 8.898 781 HH TYR 102 HH TYR 102 -2.638 -3.724 7.459 782 H VAL 103 H VAL 103 3.252 0.992 4.814 783 HA VAL 103 HA VAL 103 2.514 -0.541 2.669 784 HB VAL 103 HB VAL 103 2.550 1.894 2.573 785 HG11 VAL 103 1HG1 VAL 103 4.530 3.183 2.418 786 HG12 VAL 103 2HG1 VAL 103 4.759 2.091 3.784 787 HG13 VAL 103 3HG1 VAL 103 5.538 1.747 2.239 788 HG21 VAL 103 1HG2 VAL 103 3.831 2.067 0.299 789 HG22 VAL 103 2HG2 VAL 103 3.987 0.321 0.483 790 HG23 VAL 103 3HG2 VAL 103 2.389 1.062 0.432 791 H ALA 104 H ALA 104 5.716 -0.130 4.022 792 HA ALA 104 HA ALA 104 7.285 -1.088 1.933 793 HB1 ALA 104 1HB ALA 104 7.643 -1.265 4.915 794 HB2 ALA 104 2HB ALA 104 8.870 -1.798 3.764 795 HB3 ALA 104 3HB ALA 104 8.365 -0.108 3.796 796 H THR 105 H THR 105 5.414 -2.828 4.355 797 HA THR 105 HA THR 105 6.415 -5.397 3.980 798 HB THR 105 HB THR 105 4.365 -6.236 4.919 799 HG1 THR 105 1HG THR 105 3.334 -3.733 4.083 800 HG21 THR 105 1HG2 THR 105 4.042 -4.238 6.715 801 HG22 THR 105 2HG2 THR 105 5.604 -3.800 6.025 802 HG23 THR 105 3HG2 THR 105 5.377 -5.388 6.754 803 H TYR 106 H TYR 106 4.160 -3.542 2.053 804 HA TYR 106 HA TYR 106 3.159 -5.681 0.492 805 HB2 TYR 106 1HB TYR 106 3.267 -2.700 0.124 806 HB3 TYR 106 2HB TYR 106 2.675 -3.743 -1.164 807 HD1 TYR 106 1HD TYR 106 2.144 -4.468 2.405 808 HD2 TYR 106 2HD TYR 106 0.433 -2.887 -1.155 809 HE1 TYR 106 1HE TYR 106 -0.076 -4.505 3.463 810 HE2 TYR 106 2HE TYR 106 -1.791 -2.918 -0.106 811 HH TYR 106 HH TYR 106 -2.967 -4.011 1.686 812 H TYR 107 H TYR 107 5.756 -3.323 -0.084 813 HA TYR 107 HA TYR 107 6.504 -4.360 -2.610 814 HB2 TYR 107 1HB TYR 107 7.190 -2.153 -2.182 815 HB3 TYR 107 2HB TYR 107 7.865 -2.571 -0.611 816 HD1 TYR 107 2HD TYR 107 8.348 -3.358 -4.232 817 HD2 TYR 107 1HD TYR 107 10.158 -2.784 -0.424 818 HE1 TYR 107 2HE TYR 107 10.570 -3.601 -5.259 819 HE2 TYR 107 1HE TYR 107 12.385 -3.024 -1.440 820 HH TYR 107 HH TYR 107 13.030 -4.390 -4.157 821 H HIS 108 H HIS 108 7.935 -4.748 0.627 822 HA HIS 108 HA HIS 108 10.015 -6.461 -0.073 823 HB2 HIS 108 1HB HIS 108 8.477 -5.988 2.452 824 HB3 HIS 108 2HB HIS 108 9.624 -7.322 2.380 825 HD1 HIS 108 1HD HIS 108 11.882 -6.712 3.153 826 HD2 HIS 108 2HD HIS 108 9.864 -3.441 1.576 827 HE1 HIS 108 1HE HIS 108 13.441 -4.760 3.439 828 HE2 HIS 108 2HE HIS 108 12.165 -2.776 2.554 829 H TYR 109 H TYR 109 6.900 -7.423 1.384 830 HA TYR 109 HA TYR 109 7.108 -10.133 1.201 831 HB2 TYR 109 1HB TYR 109 5.187 -9.261 2.263 832 HB3 TYR 109 2HB TYR 109 4.717 -8.337 0.839 833 HD1 TYR 109 1HD TYR 109 3.582 -9.412 -1.024 834 HD2 TYR 109 2HD TYR 109 4.702 -11.634 2.426 835 HE1 TYR 109 1HE TYR 109 2.106 -11.246 -1.734 836 HE2 TYR 109 2HE TYR 109 3.230 -13.476 1.725 837 HH TYR 109 HH TYR 109 1.572 -14.070 0.310 838 H PHE 110 H PHE 110 5.354 -8.241 -1.262 839 HA PHE 110 HA PHE 110 5.139 -10.217 -3.171 840 HB2 PHE 110 1HB PHE 110 5.160 -7.241 -3.259 841 HB3 PHE 110 2HB PHE 110 5.302 -8.103 -4.788 842 HD1 PHE 110 2HD PHE 110 3.541 -10.069 -5.075 843 HD2 PHE 110 1HD PHE 110 3.062 -6.695 -2.524 844 HE1 PHE 110 2HE PHE 110 1.101 -10.382 -5.124 845 HE2 PHE 110 1HE PHE 110 0.621 -7.004 -2.568 846 HZ PHE 110 HZ PHE 110 -0.363 -8.849 -3.870 847 H SER 111 H SER 111 7.795 -7.935 -2.667 848 HA SER 111 HA SER 111 9.327 -8.492 -4.907 849 HB2 SER 111 1HB SER 111 9.923 -7.499 -2.161 850 HB3 SER 111 2HB SER 111 11.284 -8.016 -3.157 851 HG SER 111 HG SER 111 11.059 -6.283 -4.319 852 H LYS 112 H LYS 112 9.321 -10.131 -1.760 853 HA LYS 112 HA LYS 112 11.380 -11.876 -1.972 854 HB2 LYS 112 1HB LYS 112 8.592 -12.489 -0.978 855 HB3 LYS 112 2HB LYS 112 9.997 -13.503 -0.680 856 HG2 LYS 112 1HG LYS 112 9.818 -10.625 0.172 857 HG3 LYS 112 2HG LYS 112 9.361 -11.985 1.200 858 HD2 LYS 112 1HD LYS 112 11.548 -12.759 1.359 859 HD3 LYS 112 2HD LYS 112 12.062 -11.896 -0.091 860 HE2 LYS 112 1HE LYS 112 12.973 -10.827 1.883 861 HE3 LYS 112 2HE LYS 112 11.799 -9.765 1.107 862 HZ1 LYS 112 1HZ LYS 112 11.336 -11.442 3.514 863 HZ2 LYS 112 2HZ LYS 112 10.148 -10.518 2.742 864 HZ3 LYS 112 3HZ LYS 112 11.469 -9.755 3.473 865 H MET 113 H MET 113 8.092 -12.633 -3.143 866 HA MET 113 HA MET 113 8.519 -15.031 -4.345 867 HB2 MET 113 1HB MET 113 6.855 -12.739 -5.399 868 HB3 MET 113 2HB MET 113 6.747 -14.394 -5.984 869 HG2 MET 113 1HG MET 113 6.257 -13.585 -3.130 870 HG3 MET 113 2HG MET 113 4.991 -13.744 -4.345 871 HE1 MET 113 1HE MET 113 5.705 -16.698 -1.462 872 HE2 MET 113 2HE MET 113 5.656 -14.936 -1.504 873 HE3 MET 113 3HE MET 113 4.226 -15.869 -1.949 874 H LYS 114 H LYS 114 9.321 -15.806 -6.264 875 HA LYS 114 HA LYS 114 11.525 -14.575 -7.408 876 HB2 LYS 114 1HB LYS 114 9.760 -16.846 -8.169 877 HB3 LYS 114 2HB LYS 114 10.828 -16.205 -9.411 878 HG2 LYS 114 1HG LYS 114 11.977 -17.992 -8.385 879 HG3 LYS 114 2HG LYS 114 12.725 -16.510 -7.789 880 HD2 LYS 114 1HD LYS 114 11.069 -16.740 -5.819 881 HD3 LYS 114 2HD LYS 114 10.893 -18.409 -6.364 882 HE2 LYS 114 1HE LYS 114 13.608 -17.231 -5.904 883 HE3 LYS 114 2HE LYS 114 12.658 -17.847 -4.553 884 HZ1 LYS 114 1HZ LYS 114 14.297 -19.326 -6.109 885 HZ2 LYS 114 2HZ LYS 114 12.783 -19.649 -6.792 886 HZ3 LYS 114 3HZ LYS 114 13.050 -19.946 -5.148 887 H ALA 115 H ALA 115 11.135 -12.457 -8.009 888 HA ALA 115 HA ALA 115 9.500 -12.137 -10.437 889 HB1 ALA 115 1HB ALA 115 9.344 -9.665 -9.375 890 HB2 ALA 115 2HB ALA 115 8.133 -10.922 -9.119 891 HB3 ALA 115 3HB ALA 115 9.379 -10.638 -7.904 892 H LEU 116 H LEU 116 10.314 -10.796 -12.022 893 HA LEU 116 HA LEU 116 13.072 -9.848 -11.591 894 HB2 LEU 116 1HB LEU 116 13.019 -10.037 -14.228 895 HB3 LEU 116 2HB LEU 116 13.425 -11.407 -13.196 896 HG LEU 116 HG LEU 116 11.917 -12.000 -15.060 897 HD11 LEU 116 1HD1 LEU 116 10.041 -12.537 -12.978 898 HD12 LEU 116 2HD1 LEU 116 11.677 -12.666 -12.333 899 HD13 LEU 116 3HD1 LEU 116 11.205 -13.624 -13.735 900 HD21 LEU 116 1HD2 LEU 116 10.593 -10.114 -15.429 901 HD22 LEU 116 2HD2 LEU 116 10.159 -9.969 -13.725 902 HD23 LEU 116 3HD2 LEU 116 9.483 -11.275 -14.700 903 H ALA 117 H ALA 117 13.614 -8.173 -13.459 904 HA ALA 117 HA ALA 117 11.549 -6.454 -14.347 905 HB1 ALA 117 1HB ALA 117 12.150 -6.109 -11.658 906 HB2 ALA 117 2HB ALA 117 13.013 -4.807 -12.477 907 HB3 ALA 117 3HB ALA 117 11.273 -4.986 -12.698 908 H VAL 118 H VAL 118 12.502 -4.295 -15.114 909 HA VAL 118 HA VAL 118 14.998 -4.902 -16.487 910 HB VAL 118 HB VAL 118 13.457 -4.054 -18.006 911 HG11 VAL 118 1HG1 VAL 118 12.335 -1.735 -17.370 912 HG12 VAL 118 2HG1 VAL 118 11.627 -3.279 -16.896 913 HG13 VAL 118 3HG1 VAL 118 12.583 -2.353 -15.738 914 HG21 VAL 118 1HG2 VAL 118 14.264 -1.831 -18.657 915 HG22 VAL 118 2HG2 VAL 118 15.043 -1.658 -17.084 916 HG23 VAL 118 3HG2 VAL 118 15.592 -2.900 -18.209 917 H GLU 119 H GLU 119 16.907 -3.962 -16.078 918 HA GLU 119 HA GLU 119 16.957 -1.694 -14.199 919 HB2 GLU 119 1HB GLU 119 17.670 -3.883 -13.179 920 HB3 GLU 119 2HB GLU 119 19.015 -3.900 -14.311 921 HG2 GLU 119 1HG GLU 119 20.046 -2.072 -13.306 922 HG3 GLU 119 2HG GLU 119 18.572 -1.577 -12.478 923 H GLY 120 H GLY 120 18.570 -0.139 -14.508 924 HA2 GLY 120 1HA GLY 120 20.465 -0.421 -16.675 925 HA3 GLY 120 2HA GLY 120 19.167 0.718 -16.999 926 H LYS 121 H LYS 121 22.228 0.342 -15.708 927 HA LYS 121 HA LYS 121 22.140 3.057 -14.621 928 HB2 LYS 121 1HB LYS 121 23.774 2.099 -12.795 929 HB3 LYS 121 2HB LYS 121 22.031 2.019 -12.570 930 HG2 LYS 121 1HG LYS 121 22.614 -0.109 -12.007 931 HG3 LYS 121 2HG LYS 121 22.315 -0.319 -13.733 932 HD2 LYS 121 1HD LYS 121 25.059 0.449 -12.918 933 HD3 LYS 121 2HD LYS 121 24.536 -1.194 -12.538 934 HE2 LYS 121 1HE LYS 121 24.402 -1.803 -14.731 935 HE3 LYS 121 2HE LYS 121 23.999 -0.175 -15.273 936 HZ1 LYS 121 1HZ LYS 121 26.212 0.467 -15.244 937 HZ2 LYS 121 2HZ LYS 121 26.293 -1.111 -15.846 938 HZ3 LYS 121 3HZ LYS 121 26.689 -0.801 -14.231 939 H SER 122 H SER 122 24.642 3.468 -13.844 940 HA SER 122 HA SER 122 26.356 2.592 -16.070 941 HB2 SER 122 1HB SER 122 25.346 5.044 -16.108 942 HB3 SER 122 2HB SER 122 26.671 5.359 -14.988 943 HG SER 122 HG SER 122 27.807 5.538 -16.747 944 H GLY 123 H GLY 123 28.719 3.134 -15.609 945 HA2 GLY 123 1HA GLY 123 29.468 1.862 -13.190 946 HA3 GLY 123 2HA GLY 123 30.559 2.644 -14.323 947 HA PRO 124 HA PRO 124 31.293 5.549 -11.077 948 HB2 PRO 124 1HB PRO 124 32.725 7.337 -12.534 949 HB3 PRO 124 2HB PRO 124 33.389 5.793 -11.989 950 HG2 PRO 124 1HG PRO 124 32.280 6.537 -14.668 951 HG3 PRO 124 2HG PRO 124 33.731 5.593 -14.280 952 HD2 PRO 124 1HD PRO 124 31.396 4.438 -15.021 953 HD3 PRO 124 2HD PRO 124 32.526 3.667 -13.890 954 H SER 125 H SER 125 30.754 7.712 -10.485 955 HA SER 125 HA SER 125 28.772 8.985 -12.256 956 HB2 SER 125 1HB SER 125 27.441 9.581 -10.347 957 HB3 SER 125 2HB SER 125 27.787 7.856 -10.228 958 HG SER 125 HG SER 125 29.639 8.604 -8.868 959 H SER 126 H SER 126 28.521 11.306 -11.966 960 HA SER 126 HA SER 126 31.078 12.562 -11.241 961 HB2 SER 126 1HB SER 126 29.966 12.729 -13.618 962 HB3 SER 126 2HB SER 126 28.971 13.965 -12.846 963 HG SER 126 HG SER 126 30.698 15.226 -12.588 964 H GLY 127 H GLY 127 31.007 14.702 -10.255 965 HA2 GLY 127 1HA GLY 127 28.620 15.030 -8.541 966 HA3 GLY 127 2HA GLY 127 30.258 15.321 -7.977 Start of MODEL 12 1 H1 GLY 1 H GLY 1 29.432 -7.036 -0.390 2 HA2 GLY 1 1HA GLY 1 28.574 -4.510 -1.220 3 HA3 GLY 1 2HA GLY 1 27.357 -5.672 -1.734 4 H SER 2 H SER 2 25.719 -5.829 -0.373 5 HA SER 2 HA SER 2 24.492 -5.431 1.543 6 HB2 SER 2 1HB SER 2 24.954 -7.092 3.236 7 HB3 SER 2 2HB SER 2 25.277 -7.806 1.657 8 HG SER 2 HG SER 2 27.016 -8.317 2.880 9 H SER 3 H SER 3 26.260 -3.318 1.176 10 HA SER 3 HA SER 3 27.475 -2.818 3.789 11 HB2 SER 3 1HB SER 3 28.882 -2.273 1.907 12 HB3 SER 3 2HB SER 3 27.606 -1.298 1.176 13 HG SER 3 HG SER 3 28.453 -0.642 3.756 14 H GLY 4 H GLY 4 25.284 -1.149 1.518 15 HA2 GLY 4 1HA GLY 4 24.069 0.181 3.862 16 HA3 GLY 4 2HA GLY 4 24.261 0.971 2.304 17 H SER 5 H SER 5 22.282 -1.018 4.247 18 HA SER 5 HA SER 5 20.641 -2.002 2.085 19 HB2 SER 5 1HB SER 5 19.190 -2.858 3.929 20 HB3 SER 5 2HB SER 5 20.868 -3.385 4.062 21 HG SER 5 HG SER 5 19.408 -2.000 5.820 22 H SER 6 H SER 6 18.266 -1.591 2.092 23 HA SER 6 HA SER 6 17.596 0.961 1.495 24 HB2 SER 6 1HB SER 6 15.929 -1.276 2.617 25 HB3 SER 6 2HB SER 6 15.205 0.289 2.247 26 HG SER 6 HG SER 6 15.018 -0.670 0.351 27 H GLY 7 H GLY 7 16.792 2.768 2.525 28 HA2 GLY 7 1HA GLY 7 16.370 2.731 5.400 29 HA3 GLY 7 2HA GLY 7 17.764 3.655 4.858 30 H ALA 8 H ALA 8 16.668 4.677 2.462 31 HA ALA 8 HA ALA 8 15.138 6.857 3.550 32 HB1 ALA 8 1HB ALA 8 16.596 6.298 1.076 33 HB2 ALA 8 2HB ALA 8 15.140 7.269 0.854 34 HB3 ALA 8 3HB ALA 8 16.400 7.810 1.964 35 H LYS 9 H LYS 9 13.359 7.634 1.749 36 HA LYS 9 HA LYS 9 11.497 5.372 1.434 37 HB2 LYS 9 1HB LYS 9 9.661 7.045 1.894 38 HB3 LYS 9 2HB LYS 9 10.662 6.620 3.276 39 HG2 LYS 9 1HG LYS 9 10.603 8.871 3.543 40 HG3 LYS 9 2HG LYS 9 12.015 8.753 2.489 41 HD2 LYS 9 1HD LYS 9 10.507 9.128 0.540 42 HD3 LYS 9 2HD LYS 9 9.186 9.411 1.676 43 HE2 LYS 9 1HE LYS 9 10.033 11.541 1.056 44 HE3 LYS 9 2HE LYS 9 10.592 11.226 2.698 45 HZ1 LYS 9 1HZ LYS 9 12.747 10.862 1.982 46 HZ2 LYS 9 2HZ LYS 9 12.250 12.137 0.988 47 HZ3 LYS 9 3HZ LYS 9 12.290 10.558 0.381 48 H ASP 10 H ASP 10 13.377 6.759 -0.436 49 HA ASP 10 HA ASP 10 11.616 8.134 -2.286 50 HB2 ASP 10 1HB ASP 10 14.456 7.340 -2.872 51 HB3 ASP 10 2HB ASP 10 13.542 8.706 -3.502 52 H ALA 11 H ALA 11 13.731 5.265 -2.437 53 HA ALA 11 HA ALA 11 12.991 4.304 -4.909 54 HB1 ALA 11 1HB ALA 11 13.291 2.061 -3.200 55 HB2 ALA 11 2HB ALA 11 14.462 2.754 -4.323 56 HB3 ALA 11 3HB ALA 11 14.402 3.316 -2.652 57 H LEU 12 H LEU 12 11.510 3.475 -1.773 58 HA LEU 12 HA LEU 12 9.517 1.788 -2.770 59 HB2 LEU 12 1HB LEU 12 10.151 1.974 -0.396 60 HB3 LEU 12 2HB LEU 12 9.396 3.565 -0.337 61 HG LEU 12 HG LEU 12 7.213 2.495 -0.832 62 HD11 LEU 12 1HD1 LEU 12 6.997 0.082 -0.638 63 HD12 LEU 12 2HD1 LEU 12 8.743 -0.076 -0.453 64 HD13 LEU 12 3HD1 LEU 12 8.068 0.506 -1.975 65 HD21 LEU 12 1HD2 LEU 12 6.992 1.384 1.400 66 HD22 LEU 12 2HD2 LEU 12 7.706 2.996 1.445 67 HD23 LEU 12 3HD2 LEU 12 8.735 1.571 1.597 68 H LEU 13 H LEU 13 9.243 5.221 -1.832 69 HA LEU 13 HA LEU 13 6.664 5.754 -2.469 70 HB2 LEU 13 1HB LEU 13 8.040 7.473 -1.579 71 HB3 LEU 13 2HB LEU 13 9.118 7.420 -2.972 72 HG LEU 13 HG LEU 13 7.101 8.231 -4.328 73 HD11 LEU 13 1HD1 LEU 13 5.883 7.974 -1.784 74 HD12 LEU 13 2HD1 LEU 13 5.167 8.536 -3.294 75 HD13 LEU 13 3HD1 LEU 13 5.924 9.688 -2.196 76 HD21 LEU 13 1HD2 LEU 13 7.770 10.404 -2.479 77 HD22 LEU 13 2HD2 LEU 13 8.006 10.281 -4.222 78 HD23 LEU 13 3HD2 LEU 13 9.162 9.531 -3.121 79 H LEU 14 H LEU 14 9.347 5.432 -4.742 80 HA LEU 14 HA LEU 14 7.884 6.194 -7.050 81 HB2 LEU 14 1HB LEU 14 10.243 6.305 -7.156 82 HB3 LEU 14 2HB LEU 14 10.417 4.629 -6.640 83 HG LEU 14 HG LEU 14 9.373 3.958 -8.830 84 HD11 LEU 14 1HD1 LEU 14 8.996 6.771 -9.024 85 HD12 LEU 14 2HD1 LEU 14 8.484 5.506 -10.140 86 HD13 LEU 14 3HD1 LEU 14 10.069 6.255 -10.324 87 HD21 LEU 14 1HD2 LEU 14 11.441 4.374 -10.123 88 HD22 LEU 14 2HD2 LEU 14 11.752 3.773 -8.494 89 HD23 LEU 14 3HD2 LEU 14 11.973 5.484 -8.861 90 H TRP 15 H TRP 15 8.479 3.112 -5.456 91 HA TRP 15 HA TRP 15 7.562 1.367 -7.410 92 HB2 TRP 15 1HB TRP 15 8.645 0.722 -5.244 93 HB3 TRP 15 2HB TRP 15 7.120 1.065 -4.433 94 HD1 TRP 15 HD TRP 15 8.209 -1.154 -7.443 95 HE1 TRP 15 1HE TRP 15 6.964 -3.398 -7.250 96 HE3 TRP 15 3HE TRP 15 5.487 -0.211 -3.220 97 HZ2 TRP 15 2HZ TRP 15 5.076 -4.608 -5.536 98 HZ3 TRP 15 3HZ TRP 15 3.984 -1.965 -2.369 99 HH2 TRP 15 HH TRP 15 3.784 -4.116 -3.505 100 H CYS 16 H CYS 16 5.672 2.717 -4.699 101 HA CYS 16 HA CYS 16 3.194 1.718 -5.501 102 HB2 CYS 16 1HB CYS 16 3.687 4.303 -4.013 103 HB3 CYS 16 2HB CYS 16 2.212 3.343 -3.994 104 HG CYS 16 HG CYS 16 3.488 1.139 -2.727 105 H GLN 17 H GLN 17 4.972 4.531 -6.548 106 HA GLN 17 HA GLN 17 2.856 5.911 -7.802 107 HB2 GLN 17 1HB GLN 17 5.837 5.956 -8.034 108 HB3 GLN 17 2HB GLN 17 4.875 6.802 -9.239 109 HG2 GLN 17 1HG GLN 17 3.896 8.206 -7.580 110 HG3 GLN 17 2HG GLN 17 4.616 7.260 -6.279 111 HE21 GLN 17 1HE2 GLN 17 4.933 10.007 -6.497 112 HE22 GLN 17 2HE2 GLN 17 6.591 10.354 -6.836 113 H MET 18 H MET 18 5.102 3.439 -8.954 114 HA MET 18 HA MET 18 4.325 3.522 -11.668 115 HB2 MET 18 1HB MET 18 5.543 1.283 -10.043 116 HB3 MET 18 2HB MET 18 5.373 1.263 -11.793 117 HG2 MET 18 1HG MET 18 6.729 3.422 -11.776 118 HG3 MET 18 2HG MET 18 7.118 3.017 -10.106 119 HE1 MET 18 1HE MET 18 7.566 0.527 -9.562 120 HE2 MET 18 2HE MET 18 8.735 -0.452 -10.447 121 HE3 MET 18 3HE MET 18 9.264 1.002 -9.599 122 H LYS 19 H LYS 19 3.330 1.404 -8.989 123 HA LYS 19 HA LYS 19 1.498 -0.136 -10.470 124 HB2 LYS 19 1HB LYS 19 1.295 0.486 -7.524 125 HB3 LYS 19 2HB LYS 19 0.689 -0.936 -8.363 126 HG2 LYS 19 1HG LYS 19 3.599 -0.226 -8.064 127 HG3 LYS 19 2HG LYS 19 2.726 -1.377 -7.052 128 HD2 LYS 19 1HD LYS 19 2.159 -2.621 -9.179 129 HD3 LYS 19 2HD LYS 19 3.322 -1.576 -9.998 130 HE2 LYS 19 1HE LYS 19 4.876 -2.371 -8.006 131 HE3 LYS 19 2HE LYS 19 3.769 -3.743 -8.010 132 HZ1 LYS 19 1HZ LYS 19 5.864 -3.839 -9.466 133 HZ2 LYS 19 2HZ LYS 19 5.016 -2.823 -10.518 134 HZ3 LYS 19 3HZ LYS 19 4.397 -4.350 -10.136 135 H THR 20 H THR 20 0.968 2.663 -8.334 136 HA THR 20 HA THR 20 -1.815 2.838 -8.836 137 HB THR 20 HB THR 20 -1.668 5.090 -7.828 138 HG1 THR 20 1HG THR 20 1.075 4.614 -8.229 139 HG21 THR 20 1HG2 THR 20 -1.677 2.920 -6.482 140 HG22 THR 20 2HG2 THR 20 -1.131 4.374 -5.647 141 HG23 THR 20 3HG2 THR 20 0.046 3.200 -6.233 142 H ALA 21 H ALA 21 0.989 4.002 -10.513 143 HA ALA 21 HA ALA 21 0.102 6.159 -11.936 144 HB1 ALA 21 1HB ALA 21 2.094 5.887 -12.868 145 HB2 ALA 21 2HB ALA 21 2.200 4.263 -12.189 146 HB3 ALA 21 3HB ALA 21 1.483 4.507 -13.781 147 H GLY 22 H GLY 22 -1.773 6.435 -12.954 148 HA2 GLY 22 1HA GLY 22 -2.983 5.994 -15.022 149 HA3 GLY 22 2HA GLY 22 -2.696 4.281 -14.749 150 H TYR 23 H TYR 23 -3.349 4.284 -11.960 151 HA TYR 23 HA TYR 23 -6.033 3.669 -12.018 152 HB2 TYR 23 1HB TYR 23 -4.129 4.377 -9.827 153 HB3 TYR 23 2HB TYR 23 -5.843 4.255 -9.443 154 HD1 TYR 23 2HD TYR 23 -3.314 2.302 -11.394 155 HD2 TYR 23 1HD TYR 23 -6.523 2.226 -8.603 156 HE1 TYR 23 2HE TYR 23 -3.091 -0.141 -11.214 157 HE2 TYR 23 1HE TYR 23 -6.309 -0.217 -8.414 158 HH TYR 23 HH TYR 23 -4.648 -2.089 -10.570 159 HA PRO 24 HA PRO 24 -8.361 7.386 -11.910 160 HB2 PRO 24 1HB PRO 24 -10.363 6.769 -10.182 161 HB3 PRO 24 2HB PRO 24 -10.252 6.084 -11.809 162 HG2 PRO 24 1HG PRO 24 -9.444 4.884 -9.188 163 HG3 PRO 24 2HG PRO 24 -10.297 4.131 -10.548 164 HD2 PRO 24 1HD PRO 24 -7.650 3.772 -10.112 165 HD3 PRO 24 2HD PRO 24 -8.356 3.788 -11.740 166 H ASN 25 H ASN 25 -7.870 9.264 -10.983 167 HA ASN 25 HA ASN 25 -6.967 10.718 -9.444 168 HB2 ASN 25 1HB ASN 25 -9.399 9.534 -8.116 169 HB3 ASN 25 2HB ASN 25 -8.484 10.840 -7.368 170 HD21 ASN 25 1HD2 ASN 25 -10.995 10.094 -9.400 171 HD22 ASN 25 2HD2 ASN 25 -11.193 11.630 -10.165 172 H VAL 26 H VAL 26 -5.709 8.107 -9.398 173 HA VAL 26 HA VAL 26 -4.959 7.937 -6.552 174 HB VAL 26 HB VAL 26 -4.807 5.796 -8.678 175 HG11 VAL 26 1HG1 VAL 26 -3.072 6.073 -6.604 176 HG12 VAL 26 2HG1 VAL 26 -4.329 5.070 -5.875 177 HG13 VAL 26 3HG1 VAL 26 -3.513 4.535 -7.345 178 HG21 VAL 26 1HG2 VAL 26 -6.859 5.242 -8.038 179 HG22 VAL 26 2HG2 VAL 26 -6.276 5.000 -6.392 180 HG23 VAL 26 3HG2 VAL 26 -6.880 6.580 -6.891 181 H ASN 27 H ASN 27 -3.225 9.256 -6.384 182 HA ASN 27 HA ASN 27 -0.884 8.570 -8.015 183 HB2 ASN 27 1HB ASN 27 -1.572 11.427 -7.326 184 HB3 ASN 27 2HB ASN 27 -0.331 10.849 -8.433 185 HD21 ASN 27 1HD2 ASN 27 -0.972 9.962 -10.439 186 HD22 ASN 27 2HD2 ASN 27 -2.500 10.365 -11.138 187 H VAL 28 H VAL 28 0.615 7.864 -6.658 188 HA VAL 28 HA VAL 28 0.622 8.699 -3.880 189 HB VAL 28 HB VAL 28 2.453 6.776 -5.322 190 HG11 VAL 28 1HG1 VAL 28 2.702 7.991 -2.791 191 HG12 VAL 28 2HG1 VAL 28 2.228 6.314 -2.512 192 HG13 VAL 28 3HG1 VAL 28 3.667 6.677 -3.466 193 HG21 VAL 28 1HG2 VAL 28 0.977 5.123 -4.963 194 HG22 VAL 28 2HG2 VAL 28 0.518 5.743 -3.377 195 HG23 VAL 28 3HG2 VAL 28 -0.203 6.427 -4.834 196 H HIS 29 H HIS 29 1.286 10.844 -3.925 197 HA HIS 29 HA HIS 29 3.915 11.429 -5.076 198 HB2 HIS 29 1HB HIS 29 2.276 13.026 -5.734 199 HB3 HIS 29 2HB HIS 29 1.677 13.194 -4.087 200 HD1 HIS 29 1HD HIS 29 3.064 14.670 -2.464 201 HD2 HIS 29 2HD HIS 29 4.533 14.546 -6.349 202 HE1 HIS 29 1HE HIS 29 4.739 16.541 -2.610 203 HE2 HIS 29 2HE HIS 29 5.551 16.500 -4.994 204 H ASN 30 H ASN 30 2.124 11.705 -2.025 205 HA ASN 30 HA ASN 30 4.712 11.884 -0.630 206 HB2 ASN 30 1HB ASN 30 3.195 13.024 1.195 207 HB3 ASN 30 2HB ASN 30 3.824 13.964 -0.155 208 HD21 ASN 30 1HD2 ASN 30 1.028 11.982 0.743 209 HD22 ASN 30 2HD2 ASN 30 -0.145 12.968 -0.057 210 H PHE 31 H PHE 31 4.367 11.277 1.798 211 HA PHE 31 HA PHE 31 2.980 8.689 1.809 212 HB2 PHE 31 1HB PHE 31 5.313 9.763 3.383 213 HB3 PHE 31 2HB PHE 31 4.446 8.317 3.888 214 HD1 PHE 31 2HD PHE 31 4.318 6.373 2.269 215 HD2 PHE 31 1HD PHE 31 6.974 9.659 1.750 216 HE1 PHE 31 2HE PHE 31 5.693 5.017 0.745 217 HE2 PHE 31 1HE PHE 31 8.352 8.308 0.224 218 HZ PHE 31 HZ PHE 31 7.714 5.983 -0.279 219 H THR 32 H THR 32 2.055 11.594 2.469 220 HA THR 32 HA THR 32 0.856 10.951 5.084 221 HB THR 32 HB THR 32 0.510 13.419 5.335 222 HG1 THR 32 1HG THR 32 2.199 14.536 3.849 223 HG21 THR 32 1HG2 THR 32 2.599 13.766 6.261 224 HG22 THR 32 2HG2 THR 32 3.437 12.951 4.939 225 HG23 THR 32 3HG2 THR 32 2.560 12.008 6.144 226 H THR 33 H THR 33 0.032 13.311 2.557 227 HA THR 33 HA THR 33 -2.769 12.654 2.816 228 HB THR 33 HB THR 33 -3.162 14.459 1.218 229 HG1 THR 33 1HG THR 33 -1.303 15.618 0.422 230 HG21 THR 33 1HG2 THR 33 -1.314 14.945 3.522 231 HG22 THR 33 2HG2 THR 33 -3.025 15.338 3.359 232 HG23 THR 33 3HG2 THR 33 -1.815 16.288 2.497 233 H SER 34 H SER 34 -1.149 10.520 1.832 234 HA SER 34 HA SER 34 -2.242 10.246 -0.892 235 HB2 SER 34 1HB SER 34 0.264 10.402 -0.801 236 HB3 SER 34 2HB SER 34 0.270 8.916 0.148 237 HG SER 34 HG SER 34 -1.098 8.162 -1.785 238 H TRP 35 H TRP 35 -1.849 8.880 2.259 239 HA TRP 35 HA TRP 35 -3.428 6.537 1.416 240 HB2 TRP 35 1HB TRP 35 -1.640 6.509 3.831 241 HB3 TRP 35 2HB TRP 35 -2.274 5.149 2.909 242 HD1 TRP 35 HD TRP 35 0.237 8.065 2.377 243 HE1 TRP 35 1HE TRP 35 2.133 7.205 0.864 244 HE3 TRP 35 3HE TRP 35 -1.538 3.362 1.444 245 HZ2 TRP 35 2HZ TRP 35 2.789 4.845 -0.540 246 HZ3 TRP 35 3HZ TRP 35 -0.217 1.866 0.007 247 HH2 TRP 35 HH TRP 35 1.902 2.594 -0.964 248 H ARG 36 H ARG 36 -3.879 9.361 2.734 249 HA ARG 36 HA ARG 36 -4.961 8.925 5.290 250 HB2 ARG 36 1HB ARG 36 -4.417 11.158 4.399 251 HB3 ARG 36 2HB ARG 36 -5.739 11.014 3.247 252 HG2 ARG 36 1HG ARG 36 -7.128 10.607 5.470 253 HG3 ARG 36 2HG ARG 36 -5.804 11.549 6.158 254 HD2 ARG 36 1HD ARG 36 -6.257 13.392 4.745 255 HD3 ARG 36 2HD ARG 36 -7.336 12.437 3.729 256 HE ARG 36 HE ARG 36 -8.156 12.704 6.490 257 HH11 ARG 36 1HH1 ARG 36 -8.366 13.967 3.253 258 HH12 ARG 36 2HH1 ARG 36 -9.864 14.791 3.532 259 HH21 ARG 36 1HH2 ARG 36 -10.128 13.783 6.870 260 HH22 ARG 36 2HH2 ARG 36 -10.866 14.686 5.590 261 H ASP 37 H ASP 37 -6.552 9.073 2.110 262 HA ASP 37 HA ASP 37 -9.129 8.422 3.132 263 HB2 ASP 37 1HB ASP 37 -8.045 8.268 0.310 264 HB3 ASP 37 2HB ASP 37 -9.745 8.121 0.751 265 H GLY 38 H GLY 38 -6.794 6.544 1.189 266 HA2 GLY 38 1HA GLY 38 -6.436 4.241 2.259 267 HA3 GLY 38 2HA GLY 38 -8.177 4.095 2.069 268 H LEU 39 H LEU 39 -8.255 5.466 -0.488 269 HA LEU 39 HA LEU 39 -8.343 3.523 -2.303 270 HB2 LEU 39 1HB LEU 39 -7.253 6.298 -2.706 271 HB3 LEU 39 2HB LEU 39 -7.596 5.197 -4.038 272 HG LEU 39 HG LEU 39 -9.584 6.374 -2.099 273 HD11 LEU 39 1HD1 LEU 39 -9.925 6.709 -4.988 274 HD12 LEU 39 2HD1 LEU 39 -8.501 7.507 -4.322 275 HD13 LEU 39 3HD1 LEU 39 -10.101 7.876 -3.678 276 HD21 LEU 39 1HD2 LEU 39 -9.970 4.361 -4.311 277 HD22 LEU 39 2HD2 LEU 39 -11.276 5.220 -3.493 278 HD23 LEU 39 3HD2 LEU 39 -10.245 4.111 -2.587 279 H ALA 40 H ALA 40 -5.360 5.452 -1.944 280 HA ALA 40 HA ALA 40 -3.631 4.186 -3.550 281 HB1 ALA 40 1HB ALA 40 -1.911 4.501 -1.610 282 HB2 ALA 40 2HB ALA 40 -2.670 5.905 -2.359 283 HB3 ALA 40 3HB ALA 40 -3.260 5.306 -0.809 284 H PHE 41 H PHE 41 -4.192 3.099 -0.196 285 HA PHE 41 HA PHE 41 -2.675 0.772 -0.320 286 HB2 PHE 41 1HB PHE 41 -5.023 1.608 1.352 287 HB3 PHE 41 2HB PHE 41 -4.371 -0.020 1.498 288 HD1 PHE 41 1HD PHE 41 -1.592 0.140 1.488 289 HD2 PHE 41 2HD PHE 41 -4.349 2.984 3.046 290 HE1 PHE 41 1HE PHE 41 0.139 0.970 3.027 291 HE2 PHE 41 2HE PHE 41 -2.622 3.819 4.587 292 HZ PHE 41 HZ PHE 41 -0.375 2.813 4.578 293 H ASN 42 H ASN 42 -6.121 1.248 -1.021 294 HA ASN 42 HA ASN 42 -6.574 -1.493 -1.695 295 HB2 ASN 42 1HB ASN 42 -8.221 0.978 -2.279 296 HB3 ASN 42 2HB ASN 42 -8.765 -0.680 -2.524 297 HD21 ASN 42 1HD2 ASN 42 -8.779 1.881 -0.444 298 HD22 ASN 42 2HD2 ASN 42 -9.190 1.054 1.017 299 H ALA 43 H ALA 43 -4.774 0.743 -3.215 300 HA ALA 43 HA ALA 43 -5.596 0.032 -5.933 301 HB1 ALA 43 1HB ALA 43 -5.062 2.423 -5.192 302 HB2 ALA 43 2HB ALA 43 -3.371 1.919 -5.233 303 HB3 ALA 43 3HB ALA 43 -4.347 1.851 -6.700 304 H ILE 44 H ILE 44 -2.915 -0.315 -3.682 305 HA ILE 44 HA ILE 44 -1.044 -1.415 -5.480 306 HB ILE 44 HB ILE 44 -1.291 -1.871 -2.504 307 HG12 ILE 44 1HG1 ILE 44 0.614 0.008 -3.880 308 HG13 ILE 44 2HG1 ILE 44 -1.012 0.523 -3.445 309 HG21 ILE 44 1HG2 ILE 44 0.813 -2.580 -4.505 310 HG22 ILE 44 2HG2 ILE 44 1.258 -2.236 -2.835 311 HG23 ILE 44 3HG2 ILE 44 0.139 -3.551 -3.196 312 HD11 ILE 44 1HD1 ILE 44 1.031 -0.550 -1.517 313 HD12 ILE 44 2HD1 ILE 44 0.667 1.156 -1.776 314 HD13 ILE 44 3HD1 ILE 44 -0.566 0.082 -1.117 315 H VAL 45 H VAL 45 -3.220 -3.017 -3.153 316 HA VAL 45 HA VAL 45 -2.578 -5.650 -3.857 317 HB VAL 45 HB VAL 45 -5.220 -4.630 -2.806 318 HG11 VAL 45 1HG1 VAL 45 -4.007 -7.364 -3.020 319 HG12 VAL 45 2HG1 VAL 45 -5.230 -6.995 -1.801 320 HG13 VAL 45 3HG1 VAL 45 -5.610 -6.819 -3.514 321 HG21 VAL 45 1HG2 VAL 45 -2.740 -5.541 -1.354 322 HG22 VAL 45 2HG2 VAL 45 -3.428 -3.918 -1.357 323 HG23 VAL 45 3HG2 VAL 45 -4.301 -5.244 -0.589 324 H HIS 46 H HIS 46 -5.290 -3.610 -4.940 325 HA HIS 46 HA HIS 46 -6.557 -5.362 -6.634 326 HB2 HIS 46 1HB HIS 46 -7.408 -3.115 -6.120 327 HB3 HIS 46 2HB HIS 46 -6.121 -2.401 -7.086 328 HD1 HIS 46 1HD HIS 46 -6.371 -2.493 -9.647 329 HD2 HIS 46 2HD HIS 46 -9.519 -4.249 -7.583 330 HE1 HIS 46 1HE HIS 46 -8.181 -2.847 -11.356 331 HE2 HIS 46 2HE HIS 46 -10.108 -3.831 -10.066 332 H LYS 47 H LYS 47 -3.552 -3.659 -7.123 333 HA LYS 47 HA LYS 47 -3.334 -4.028 -9.917 334 HB2 LYS 47 1HB LYS 47 -1.977 -2.446 -8.482 335 HB3 LYS 47 2HB LYS 47 -1.043 -3.842 -7.960 336 HG2 LYS 47 1HG LYS 47 0.285 -3.152 -9.656 337 HG3 LYS 47 2HG LYS 47 -0.808 -4.183 -10.582 338 HD2 LYS 47 1HD LYS 47 -2.172 -2.197 -11.123 339 HD3 LYS 47 2HD LYS 47 -1.013 -1.189 -10.254 340 HE2 LYS 47 1HE LYS 47 -0.518 -2.826 -12.735 341 HE3 LYS 47 2HE LYS 47 -0.526 -1.068 -12.601 342 HZ1 LYS 47 1HZ LYS 47 1.634 -1.175 -12.194 343 HZ2 LYS 47 2HZ LYS 47 1.608 -2.867 -12.172 344 HZ3 LYS 47 3HZ LYS 47 1.315 -1.998 -10.751 345 H HIS 48 H HIS 48 -2.240 -5.953 -7.154 346 HA HIS 48 HA HIS 48 -1.058 -7.967 -8.856 347 HB2 HIS 48 1HB HIS 48 -1.606 -8.312 -5.921 348 HB3 HIS 48 2HB HIS 48 -0.305 -9.000 -6.889 349 HD1 HIS 48 1HD HIS 48 1.107 -6.703 -8.062 350 HD2 HIS 48 2HD HIS 48 -0.497 -6.532 -4.234 351 HE1 HIS 48 1HE HIS 48 2.369 -4.874 -6.885 352 HE2 HIS 48 2HE HIS 48 1.440 -4.846 -4.545 353 H ARG 49 H ARG 49 -3.757 -7.908 -6.523 354 HA ARG 49 HA ARG 49 -5.028 -10.049 -8.096 355 HB2 ARG 49 1HB ARG 49 -5.198 -9.760 -5.093 356 HB3 ARG 49 2HB ARG 49 -5.859 -11.063 -6.071 357 HG2 ARG 49 1HG ARG 49 -2.918 -10.478 -5.950 358 HG3 ARG 49 2HG ARG 49 -3.725 -11.553 -4.807 359 HD2 ARG 49 1HD ARG 49 -3.681 -11.868 -7.807 360 HD3 ARG 49 2HD ARG 49 -2.720 -12.798 -6.658 361 HE ARG 49 HE ARG 49 -5.557 -12.936 -6.194 362 HH11 ARG 49 1HH1 ARG 49 -2.856 -14.305 -7.913 363 HH12 ARG 49 2HH1 ARG 49 -3.613 -15.846 -8.138 364 HH21 ARG 49 1HH2 ARG 49 -6.565 -14.962 -6.484 365 HH22 ARG 49 2HH2 ARG 49 -5.723 -16.219 -7.325 366 HA PRO 50 HA PRO 50 -7.920 -6.494 -8.018 367 HB2 PRO 50 1HB PRO 50 -8.975 -7.037 -10.459 368 HB3 PRO 50 2HB PRO 50 -7.482 -6.116 -10.241 369 HG2 PRO 50 1HG PRO 50 -7.842 -9.005 -10.938 370 HG3 PRO 50 2HG PRO 50 -6.709 -7.823 -11.619 371 HD2 PRO 50 1HD PRO 50 -5.968 -9.648 -9.762 372 HD3 PRO 50 2HD PRO 50 -5.235 -8.034 -9.859 373 H ASP 51 H ASP 51 -8.177 -9.753 -7.665 374 HA ASP 51 HA ASP 51 -11.067 -9.923 -7.969 375 HB2 ASP 51 1HB ASP 51 -8.962 -11.943 -7.196 376 HB3 ASP 51 2HB ASP 51 -10.685 -12.301 -7.171 377 H LEU 52 H LEU 52 -8.629 -10.042 -5.405 378 HA LEU 52 HA LEU 52 -10.080 -10.695 -3.206 379 HB2 LEU 52 1HB LEU 52 -8.101 -8.425 -3.366 380 HB3 LEU 52 2HB LEU 52 -8.599 -9.263 -1.897 381 HG LEU 52 HG LEU 52 -6.975 -10.393 -4.174 382 HD11 LEU 52 1HD1 LEU 52 -5.576 -10.775 -1.880 383 HD12 LEU 52 2HD1 LEU 52 -6.363 -9.231 -1.551 384 HD13 LEU 52 3HD1 LEU 52 -5.347 -9.416 -2.981 385 HD21 LEU 52 1HD2 LEU 52 -8.136 -12.264 -3.562 386 HD22 LEU 52 2HD2 LEU 52 -8.410 -11.694 -1.915 387 HD23 LEU 52 3HD2 LEU 52 -6.826 -12.318 -2.381 388 H LEU 53 H LEU 53 -9.687 -7.327 -4.327 389 HA LEU 53 HA LEU 53 -12.299 -6.727 -3.102 390 HB2 LEU 53 1HB LEU 53 -11.520 -4.490 -2.649 391 HB3 LEU 53 2HB LEU 53 -10.432 -5.669 -1.918 392 HG LEU 53 HG LEU 53 -9.846 -4.312 -4.541 393 HD11 LEU 53 1HD1 LEU 53 -8.167 -3.198 -2.677 394 HD12 LEU 53 2HD1 LEU 53 -9.712 -3.257 -1.830 395 HD13 LEU 53 3HD1 LEU 53 -9.588 -2.426 -3.380 396 HD21 LEU 53 1HD2 LEU 53 -8.471 -6.223 -2.765 397 HD22 LEU 53 2HD2 LEU 53 -7.478 -4.919 -3.415 398 HD23 LEU 53 3HD2 LEU 53 -8.345 -5.997 -4.510 399 H ASP 54 H ASP 54 -13.089 -4.484 -4.079 400 HA ASP 54 HA ASP 54 -12.807 -4.646 -7.008 401 HB2 ASP 54 1HB ASP 54 -15.292 -3.719 -6.859 402 HB3 ASP 54 2HB ASP 54 -14.949 -5.447 -6.828 403 H PHE 55 H PHE 55 -11.174 -2.972 -6.651 404 HA PHE 55 HA PHE 55 -11.422 -0.547 -5.465 405 HB2 PHE 55 1HB PHE 55 -9.542 -1.552 -7.012 406 HB3 PHE 55 2HB PHE 55 -10.343 -0.595 -8.255 407 HD1 PHE 55 1HD PHE 55 -8.911 -0.299 -4.833 408 HD2 PHE 55 2HD PHE 55 -9.765 1.623 -8.534 409 HE1 PHE 55 1HE PHE 55 -7.686 1.696 -4.076 410 HE2 PHE 55 2HE PHE 55 -8.541 3.620 -7.782 411 HZ PHE 55 HZ PHE 55 -7.498 3.659 -5.552 412 H GLU 56 H GLU 56 -12.633 -1.374 -8.703 413 HA GLU 56 HA GLU 56 -13.648 1.090 -9.444 414 HB2 GLU 56 1HB GLU 56 -14.814 -1.639 -10.027 415 HB3 GLU 56 2HB GLU 56 -15.210 -0.161 -10.892 416 HG2 GLU 56 1HG GLU 56 -12.739 0.001 -11.446 417 HG3 GLU 56 2HG GLU 56 -12.612 -1.658 -10.865 418 H SER 57 H SER 57 -15.000 -1.316 -7.281 419 HA SER 57 HA SER 57 -17.569 -0.066 -7.078 420 HB2 SER 57 1HB SER 57 -17.085 -2.513 -6.635 421 HB3 SER 57 2HB SER 57 -16.341 -2.012 -5.117 422 HG SER 57 HG SER 57 -18.448 -0.920 -4.737 423 H LEU 58 H LEU 58 -14.636 -0.117 -5.094 424 HA LEU 58 HA LEU 58 -15.556 1.297 -2.889 425 HB2 LEU 58 1HB LEU 58 -12.815 1.508 -4.123 426 HB3 LEU 58 2HB LEU 58 -13.249 1.865 -2.452 427 HG LEU 58 HG LEU 58 -13.349 -0.868 -3.731 428 HD11 LEU 58 1HD1 LEU 58 -11.068 0.285 -3.291 429 HD12 LEU 58 2HD1 LEU 58 -11.325 -1.369 -2.738 430 HD13 LEU 58 3HD1 LEU 58 -11.434 -0.031 -1.595 431 HD21 LEU 58 1HD2 LEU 58 -13.360 -1.326 -1.100 432 HD22 LEU 58 2HD2 LEU 58 -14.838 -1.133 -2.043 433 HD23 LEU 58 3HD2 LEU 58 -14.200 0.225 -1.116 434 H LYS 59 H LYS 59 -15.364 3.507 -2.286 435 HA LYS 59 HA LYS 59 -15.047 5.429 -4.475 436 HB2 LYS 59 1HB LYS 59 -17.467 4.915 -4.230 437 HB3 LYS 59 2HB LYS 59 -17.384 5.456 -2.558 438 HG2 LYS 59 1HG LYS 59 -18.270 7.260 -3.770 439 HG3 LYS 59 2HG LYS 59 -16.585 7.681 -3.457 440 HD2 LYS 59 1HD LYS 59 -16.692 8.197 -5.678 441 HD3 LYS 59 2HD LYS 59 -16.241 6.495 -5.802 442 HE2 LYS 59 1HE LYS 59 -19.070 7.532 -5.899 443 HE3 LYS 59 2HE LYS 59 -18.096 7.151 -7.317 444 HZ1 LYS 59 1HZ LYS 59 -19.042 5.276 -5.226 445 HZ2 LYS 59 2HZ LYS 59 -17.887 4.859 -6.389 446 HZ3 LYS 59 3HZ LYS 59 -19.454 5.284 -6.867 447 H LYS 60 H LYS 60 -14.648 7.612 -3.762 448 HA LYS 60 HA LYS 60 -12.797 7.812 -1.692 449 HB2 LYS 60 1HB LYS 60 -14.477 10.035 -2.868 450 HB3 LYS 60 2HB LYS 60 -12.975 10.236 -1.977 451 HG2 LYS 60 1HG LYS 60 -11.866 8.855 -3.774 452 HG3 LYS 60 2HG LYS 60 -13.363 9.015 -4.694 453 HD2 LYS 60 1HD LYS 60 -12.099 10.776 -5.505 454 HD3 LYS 60 2HD LYS 60 -13.061 11.557 -4.248 455 HE2 LYS 60 1HE LYS 60 -10.972 12.365 -3.752 456 HE3 LYS 60 2HE LYS 60 -11.019 10.929 -2.730 457 HZ1 LYS 60 1HZ LYS 60 -9.906 10.815 -5.463 458 HZ2 LYS 60 2HZ LYS 60 -9.630 9.769 -4.162 459 HZ3 LYS 60 3HZ LYS 60 -8.957 11.321 -4.157 460 H CYS 61 H CYS 61 -16.272 8.317 -1.697 461 HA CYS 61 HA CYS 61 -16.572 9.620 0.744 462 HB2 CYS 61 1HB CYS 61 -18.830 9.164 0.562 463 HB3 CYS 61 2HB CYS 61 -18.314 8.961 -1.108 464 HG CYS 61 HG CYS 61 -19.474 6.684 -1.293 465 H ASN 62 H ASN 62 -15.929 6.270 0.026 466 HA ASN 62 HA ASN 62 -16.313 5.512 2.826 467 HB2 ASN 62 1HB ASN 62 -16.131 4.037 0.248 468 HB3 ASN 62 2HB ASN 62 -15.556 3.208 1.692 469 HD21 ASN 62 1HD2 ASN 62 -17.241 3.955 3.617 470 HD22 ASN 62 2HD2 ASN 62 -18.859 3.474 3.250 471 H ALA 63 H ALA 63 -14.436 6.939 3.356 472 HA ALA 63 HA ALA 63 -11.812 6.149 2.541 473 HB1 ALA 63 1HB ALA 63 -11.607 8.290 3.168 474 HB2 ALA 63 2HB ALA 63 -12.989 8.207 4.260 475 HB3 ALA 63 3HB ALA 63 -11.410 7.627 4.790 476 H HIS 64 H HIS 64 -13.383 6.079 5.747 477 HA HIS 64 HA HIS 64 -11.471 4.479 6.998 478 HB2 HIS 64 1HB HIS 64 -13.267 5.788 8.150 479 HB3 HIS 64 2HB HIS 64 -14.425 4.562 7.644 480 HD1 HIS 64 1HD HIS 64 -11.245 4.809 9.710 481 HD2 HIS 64 2HD HIS 64 -14.692 2.510 9.399 482 HE1 HIS 64 1HE HIS 64 -11.171 3.217 11.655 483 HE2 HIS 64 2HE HIS 64 -13.222 1.779 11.397 484 H TYR 65 H TYR 65 -14.498 3.555 5.388 485 HA TYR 65 HA TYR 65 -14.359 0.806 5.910 486 HB2 TYR 65 1HB TYR 65 -16.405 1.818 5.103 487 HB3 TYR 65 2HB TYR 65 -15.624 2.290 3.598 488 HD1 TYR 65 2HD TYR 65 -14.711 0.370 2.118 489 HD2 TYR 65 1HD TYR 65 -17.553 -0.202 5.232 490 HE1 TYR 65 2HE TYR 65 -15.402 -1.754 1.089 491 HE2 TYR 65 1HE TYR 65 -18.251 -2.329 4.212 492 HH TYR 65 HH TYR 65 -17.085 -4.079 2.627 493 H ASN 66 H ASN 66 -13.075 2.730 3.232 494 HA ASN 66 HA ASN 66 -12.122 0.549 1.706 495 HB2 ASN 66 1HB ASN 66 -11.475 3.488 1.763 496 HB3 ASN 66 2HB ASN 66 -10.588 2.384 0.716 497 HD21 ASN 66 1HD2 ASN 66 -11.714 4.167 -0.685 498 HD22 ASN 66 2HD2 ASN 66 -13.206 3.670 -1.400 499 H LEU 67 H LEU 67 -10.676 2.530 4.238 500 HA LEU 67 HA LEU 67 -8.033 1.626 4.003 501 HB2 LEU 67 1HB LEU 67 -9.644 2.787 6.240 502 HB3 LEU 67 2HB LEU 67 -8.009 2.201 6.536 503 HG LEU 67 HG LEU 67 -8.589 4.244 4.413 504 HD11 LEU 67 1HD1 LEU 67 -7.686 4.974 7.171 505 HD12 LEU 67 2HD1 LEU 67 -9.401 4.881 6.776 506 HD13 LEU 67 3HD1 LEU 67 -8.357 6.004 5.907 507 HD21 LEU 67 1HD2 LEU 67 -6.269 4.752 4.607 508 HD22 LEU 67 2HD2 LEU 67 -6.416 3.001 4.456 509 HD23 LEU 67 3HD2 LEU 67 -6.103 3.727 6.033 510 H GLN 68 H GLN 68 -10.366 0.664 6.528 511 HA GLN 68 HA GLN 68 -8.992 -1.475 7.559 512 HB2 GLN 68 1HB GLN 68 -11.093 -2.294 8.411 513 HB3 GLN 68 2HB GLN 68 -11.103 -0.536 8.478 514 HG2 GLN 68 1HG GLN 68 -12.309 -0.686 6.203 515 HG3 GLN 68 2HG GLN 68 -12.610 -2.362 6.654 516 HE21 GLN 68 1HE2 GLN 68 -14.827 -2.035 6.767 517 HE22 GLN 68 2HE2 GLN 68 -15.564 -1.154 8.058 518 H ASN 69 H ASN 69 -10.961 -1.355 4.652 519 HA ASN 69 HA ASN 69 -11.250 -4.061 4.119 520 HB2 ASN 69 1HB ASN 69 -12.179 -2.006 2.849 521 HB3 ASN 69 2HB ASN 69 -10.675 -2.074 1.935 522 HD21 ASN 69 1HD2 ASN 69 -10.715 -3.237 0.160 523 HD22 ASN 69 2HD2 ASN 69 -11.814 -4.523 -0.192 524 H ALA 70 H ALA 70 -8.663 -1.901 2.950 525 HA ALA 70 HA ALA 70 -7.131 -3.973 1.778 526 HB1 ALA 70 1HB ALA 70 -7.068 -1.313 1.561 527 HB2 ALA 70 2HB ALA 70 -5.744 -1.529 2.706 528 HB3 ALA 70 3HB ALA 70 -5.696 -2.338 1.140 529 H PHE 71 H PHE 71 -6.765 -2.205 4.849 530 HA PHE 71 HA PHE 71 -4.484 -3.414 5.807 531 HB2 PHE 71 1HB PHE 71 -6.933 -2.457 7.296 532 HB3 PHE 71 2HB PHE 71 -5.453 -2.965 8.102 533 HD1 PHE 71 2HD PHE 71 -3.383 -1.831 6.383 534 HD2 PHE 71 1HD PHE 71 -7.094 -0.180 7.654 535 HE1 PHE 71 2HE PHE 71 -2.460 0.435 6.120 536 HE2 PHE 71 1HE PHE 71 -6.178 2.088 7.393 537 HZ PHE 71 HZ PHE 71 -3.858 2.397 6.626 538 H ASN 72 H ASN 72 -7.831 -4.553 6.057 539 HA ASN 72 HA ASN 72 -7.164 -6.882 7.567 540 HB2 ASN 72 1HB ASN 72 -9.643 -6.173 5.985 541 HB3 ASN 72 2HB ASN 72 -9.499 -7.585 7.026 542 HD21 ASN 72 1HD2 ASN 72 -11.058 -4.927 7.008 543 HD22 ASN 72 2HD2 ASN 72 -10.909 -4.378 8.640 544 H LEU 73 H LEU 73 -8.374 -6.536 4.227 545 HA LEU 73 HA LEU 73 -8.139 -9.064 3.303 546 HB2 LEU 73 1HB LEU 73 -7.712 -6.411 2.050 547 HB3 LEU 73 2HB LEU 73 -7.205 -7.830 1.135 548 HG LEU 73 HG LEU 73 -9.997 -7.382 2.190 549 HD11 LEU 73 1HD1 LEU 73 -8.847 -6.938 -0.561 550 HD12 LEU 73 2HD1 LEU 73 -9.515 -5.716 0.521 551 HD13 LEU 73 3HD1 LEU 73 -10.569 -6.947 -0.176 552 HD21 LEU 73 1HD2 LEU 73 -10.567 -9.381 1.313 553 HD22 LEU 73 2HD2 LEU 73 -8.858 -9.740 1.563 554 HD23 LEU 73 3HD2 LEU 73 -9.432 -9.240 -0.030 555 H ALA 74 H ALA 74 -5.469 -6.704 3.324 556 HA ALA 74 HA ALA 74 -3.489 -8.403 2.326 557 HB1 ALA 74 1HB ALA 74 -3.589 -5.809 3.649 558 HB2 ALA 74 2HB ALA 74 -2.115 -6.714 3.995 559 HB3 ALA 74 3HB ALA 74 -2.567 -6.368 2.325 560 H GLU 75 H GLU 75 -4.626 -7.873 5.624 561 HA GLU 75 HA GLU 75 -2.603 -9.441 6.871 562 HB2 GLU 75 1HB GLU 75 -3.790 -7.772 8.154 563 HB3 GLU 75 2HB GLU 75 -5.329 -8.560 7.831 564 HG2 GLU 75 1HG GLU 75 -3.205 -10.122 9.197 565 HG3 GLU 75 2HG GLU 75 -4.063 -8.884 10.111 566 H LYS 76 H LYS 76 -5.509 -10.185 5.204 567 HA LYS 76 HA LYS 76 -5.636 -12.878 6.343 568 HB2 LYS 76 1HB LYS 76 -7.743 -11.640 6.134 569 HB3 LYS 76 2HB LYS 76 -7.484 -11.476 4.402 570 HG2 LYS 76 1HG LYS 76 -7.814 -13.777 4.031 571 HG3 LYS 76 2HG LYS 76 -7.685 -14.150 5.751 572 HD2 LYS 76 1HD LYS 76 -9.976 -14.246 5.355 573 HD3 LYS 76 2HD LYS 76 -9.748 -12.622 6.009 574 HE2 LYS 76 1HE LYS 76 -9.871 -11.649 3.839 575 HE3 LYS 76 2HE LYS 76 -9.795 -13.228 3.059 576 HZ1 LYS 76 1HZ LYS 76 -12.001 -12.584 4.906 577 HZ2 LYS 76 2HZ LYS 76 -11.960 -13.716 3.649 578 HZ3 LYS 76 3HZ LYS 76 -12.060 -12.065 3.297 579 H GLU 77 H GLU 77 -5.980 -11.574 3.039 580 HA GLU 77 HA GLU 77 -5.293 -13.920 1.713 581 HB2 GLU 77 1HB GLU 77 -4.843 -11.083 0.768 582 HB3 GLU 77 2HB GLU 77 -4.901 -12.513 -0.252 583 HG2 GLU 77 1HG GLU 77 -7.161 -11.340 1.345 584 HG3 GLU 77 2HG GLU 77 -6.985 -11.343 -0.409 585 H LEU 78 H LEU 78 -3.184 -11.051 1.813 586 HA LEU 78 HA LEU 78 -0.851 -12.432 1.113 587 HB2 LEU 78 1HB LEU 78 -0.927 -9.922 2.767 588 HB3 LEU 78 2HB LEU 78 0.334 -10.451 1.656 589 HG LEU 78 HG LEU 78 -2.438 -9.669 0.769 590 HD11 LEU 78 1HD1 LEU 78 0.042 -7.963 0.692 591 HD12 LEU 78 2HD1 LEU 78 -1.226 -7.805 1.907 592 HD13 LEU 78 3HD1 LEU 78 -1.594 -7.512 0.209 593 HD21 LEU 78 1HD2 LEU 78 0.010 -10.630 -0.542 594 HD22 LEU 78 2HD2 LEU 78 -0.747 -9.230 -1.304 595 HD23 LEU 78 3HD2 LEU 78 -1.672 -10.714 -1.068 596 H GLY 79 H GLY 79 -2.083 -11.454 4.300 597 HA2 GLY 79 1HA GLY 79 -1.832 -12.780 6.251 598 HA3 GLY 79 2HA GLY 79 -0.465 -13.586 5.496 599 H LEU 80 H LEU 80 -0.950 -10.102 5.680 600 HA LEU 80 HA LEU 80 1.604 -9.874 7.072 601 HB2 LEU 80 1HB LEU 80 -0.150 -7.761 5.828 602 HB3 LEU 80 2HB LEU 80 1.445 -7.488 6.525 603 HG LEU 80 HG LEU 80 1.031 -9.351 4.204 604 HD11 LEU 80 1HD1 LEU 80 2.007 -6.606 3.708 605 HD12 LEU 80 2HD1 LEU 80 0.275 -6.798 3.987 606 HD13 LEU 80 3HD1 LEU 80 1.061 -7.683 2.679 607 HD21 LEU 80 1HD2 LEU 80 3.160 -9.181 5.712 608 HD22 LEU 80 2HD2 LEU 80 3.467 -7.723 4.768 609 HD23 LEU 80 3HD2 LEU 80 3.316 -9.283 3.958 610 H THR 81 H THR 81 1.820 -8.295 8.835 611 HA THR 81 HA THR 81 -0.433 -8.540 10.680 612 HB THR 81 HB THR 81 2.429 -7.693 11.161 613 HG1 THR 81 1HG THR 81 2.732 -9.755 11.495 614 HG21 THR 81 1HG2 THR 81 0.241 -6.977 12.674 615 HG22 THR 81 2HG2 THR 81 1.906 -7.061 13.247 616 HG23 THR 81 3HG2 THR 81 0.823 -8.432 13.481 617 H LYS 82 H LYS 82 -1.853 -6.931 10.694 618 HA LYS 82 HA LYS 82 -1.513 -4.406 9.583 619 HB2 LYS 82 1HB LYS 82 -3.453 -5.613 11.496 620 HB3 LYS 82 2HB LYS 82 -3.444 -3.861 11.335 621 HG2 LYS 82 1HG LYS 82 -3.885 -4.036 8.969 622 HG3 LYS 82 2HG LYS 82 -3.773 -5.796 9.050 623 HD2 LYS 82 1HD LYS 82 -5.731 -4.358 10.791 624 HD3 LYS 82 2HD LYS 82 -6.108 -4.619 9.086 625 HE2 LYS 82 1HE LYS 82 -7.038 -6.467 10.181 626 HE3 LYS 82 2HE LYS 82 -5.520 -7.069 9.517 627 HZ1 LYS 82 1HZ LYS 82 -4.553 -7.175 11.579 628 HZ2 LYS 82 2HZ LYS 82 -6.150 -7.581 11.960 629 HZ3 LYS 82 3HZ LYS 82 -5.581 -6.017 12.261 630 H LEU 83 H LEU 83 -0.073 -2.923 10.160 631 HA LEU 83 HA LEU 83 0.790 -2.714 12.935 632 HB2 LEU 83 1HB LEU 83 1.759 -1.058 10.624 633 HB3 LEU 83 2HB LEU 83 2.576 -1.384 12.152 634 HG LEU 83 HG LEU 83 2.041 -3.509 10.085 635 HD11 LEU 83 1HD1 LEU 83 3.771 -2.841 8.869 636 HD12 LEU 83 2HD1 LEU 83 4.793 -2.683 10.297 637 HD13 LEU 83 3HD1 LEU 83 3.766 -1.340 9.795 638 HD21 LEU 83 1HD2 LEU 83 4.050 -4.502 11.352 639 HD22 LEU 83 2HD2 LEU 83 2.464 -4.552 12.123 640 HD23 LEU 83 3HD2 LEU 83 3.644 -3.336 12.612 641 H LEU 84 H LEU 84 -0.872 -0.815 10.474 642 HA LEU 84 HA LEU 84 -1.378 1.287 12.465 643 HB2 LEU 84 1HB LEU 84 -1.781 1.359 9.478 644 HB3 LEU 84 2HB LEU 84 -1.985 2.710 10.592 645 HG LEU 84 HG LEU 84 0.647 1.321 10.118 646 HD11 LEU 84 1HD1 LEU 84 -0.785 3.163 8.438 647 HD12 LEU 84 2HD1 LEU 84 0.757 2.354 8.159 648 HD13 LEU 84 3HD1 LEU 84 0.711 3.891 9.024 649 HD21 LEU 84 1HD2 LEU 84 0.753 2.427 12.173 650 HD22 LEU 84 2HD2 LEU 84 -0.220 3.783 11.599 651 HD23 LEU 84 3HD2 LEU 84 1.438 3.583 11.029 652 H ASP 85 H ASP 85 -3.621 2.437 11.772 653 HA ASP 85 HA ASP 85 -5.658 0.325 11.547 654 HB2 ASP 85 1HB ASP 85 -5.496 2.533 13.594 655 HB3 ASP 85 2HB ASP 85 -7.006 1.705 13.224 656 HA PRO 86 HA PRO 86 -7.627 2.886 8.577 657 HB2 PRO 86 1HB PRO 86 -10.238 2.271 8.994 658 HB3 PRO 86 2HB PRO 86 -9.097 1.155 8.234 659 HG2 PRO 86 1HG PRO 86 -10.063 1.241 11.067 660 HG3 PRO 86 2HG PRO 86 -9.835 -0.161 10.004 661 HD2 PRO 86 1HD PRO 86 -8.037 0.531 11.907 662 HD3 PRO 86 2HD PRO 86 -7.562 -0.233 10.376 663 H GLU 87 H GLU 87 -7.821 3.502 11.835 664 HA GLU 87 HA GLU 87 -9.510 5.880 11.431 665 HB2 GLU 87 1HB GLU 87 -9.840 5.863 13.886 666 HB3 GLU 87 2HB GLU 87 -10.443 4.407 13.106 667 HG2 GLU 87 1HG GLU 87 -8.558 3.144 13.847 668 HG3 GLU 87 2HG GLU 87 -7.762 4.594 14.453 669 H ASP 88 H ASP 88 -6.431 4.685 12.558 670 HA ASP 88 HA ASP 88 -5.547 7.190 13.641 671 HB2 ASP 88 1HB ASP 88 -4.235 4.554 13.061 672 HB3 ASP 88 2HB ASP 88 -3.253 5.962 13.459 673 H VAL 89 H VAL 89 -5.059 5.432 10.611 674 HA VAL 89 HA VAL 89 -3.190 7.242 9.496 675 HB VAL 89 HB VAL 89 -5.076 5.339 8.101 676 HG11 VAL 89 1HG1 VAL 89 -2.894 7.112 7.119 677 HG12 VAL 89 2HG1 VAL 89 -3.119 5.535 6.359 678 HG13 VAL 89 3HG1 VAL 89 -4.440 6.704 6.373 679 HG21 VAL 89 1HG2 VAL 89 -2.152 4.968 8.713 680 HG22 VAL 89 2HG2 VAL 89 -3.446 4.353 9.742 681 HG23 VAL 89 3HG2 VAL 89 -3.286 3.772 8.084 682 H ASN 90 H ASN 90 -6.705 6.893 9.087 683 HA ASN 90 HA ASN 90 -7.048 8.990 7.257 684 HB2 ASN 90 1HB ASN 90 -8.710 7.147 8.009 685 HB3 ASN 90 2HB ASN 90 -9.134 8.268 9.299 686 HD21 ASN 90 1HD2 ASN 90 -11.247 8.324 8.399 687 HD22 ASN 90 2HD2 ASN 90 -11.587 9.312 7.022 688 H VAL 91 H VAL 91 -5.842 10.778 7.907 689 HA VAL 91 HA VAL 91 -7.198 12.538 9.744 690 HB VAL 91 HB VAL 91 -5.685 11.190 11.224 691 HG11 VAL 91 1HG1 VAL 91 -3.233 11.983 11.088 692 HG12 VAL 91 2HG1 VAL 91 -3.782 10.740 9.962 693 HG13 VAL 91 3HG1 VAL 91 -3.625 12.413 9.424 694 HG21 VAL 91 1HG2 VAL 91 -5.333 14.161 10.947 695 HG22 VAL 91 2HG2 VAL 91 -6.371 13.277 12.065 696 HG23 VAL 91 3HG2 VAL 91 -4.621 13.251 12.279 697 H ASP 92 H ASP 92 -6.507 14.721 9.575 698 HA ASP 92 HA ASP 92 -5.983 15.709 7.112 699 HB2 ASP 92 1HB ASP 92 -5.443 16.772 9.849 700 HB3 ASP 92 2HB ASP 92 -4.814 17.663 8.465 701 H GLN 93 H GLN 93 -3.474 15.207 9.596 702 HA GLN 93 HA GLN 93 -1.538 14.770 7.433 703 HB2 GLN 93 1HB GLN 93 -1.224 16.617 9.795 704 HB3 GLN 93 2HB GLN 93 0.149 16.014 8.877 705 HG2 GLN 93 1HG GLN 93 -0.705 17.059 6.863 706 HG3 GLN 93 2HG GLN 93 -2.130 17.618 7.740 707 HE21 GLN 93 1HE2 GLN 93 -1.528 18.881 9.796 708 HE22 GLN 93 2HE2 GLN 93 -0.306 20.085 9.597 709 HA PRO 94 HA PRO 94 -1.282 11.272 10.362 710 HB2 PRO 94 1HB PRO 94 -0.525 9.479 8.470 711 HB3 PRO 94 2HB PRO 94 -2.214 9.913 8.761 712 HG2 PRO 94 1HG PRO 94 -0.341 10.902 6.645 713 HG3 PRO 94 2HG PRO 94 -2.045 10.433 6.500 714 HD2 PRO 94 1HD PRO 94 -1.255 13.018 6.655 715 HD3 PRO 94 2HD PRO 94 -2.801 12.452 7.317 716 H ASP 95 H ASP 95 0.623 9.432 10.144 717 HA ASP 95 HA ASP 95 3.095 10.999 10.327 718 HB2 ASP 95 1HB ASP 95 2.083 8.525 11.636 719 HB3 ASP 95 2HB ASP 95 3.821 8.646 11.373 720 H GLU 96 H GLU 96 3.609 11.090 8.123 721 HA GLU 96 HA GLU 96 3.592 9.199 6.198 722 HB2 GLU 96 1HB GLU 96 5.675 10.244 5.285 723 HB3 GLU 96 2HB GLU 96 4.414 11.395 5.708 724 HG2 GLU 96 1HG GLU 96 5.749 11.429 8.000 725 HG3 GLU 96 2HG GLU 96 7.069 10.949 6.936 726 H LYS 97 H LYS 97 5.935 9.432 8.826 727 HA LYS 97 HA LYS 97 7.624 7.340 7.919 728 HB2 LYS 97 1HB LYS 97 7.248 8.788 10.511 729 HB3 LYS 97 2HB LYS 97 8.224 7.325 10.479 730 HG2 LYS 97 1HG LYS 97 9.825 8.923 10.154 731 HG3 LYS 97 2HG LYS 97 9.417 8.519 8.484 732 HD2 LYS 97 1HD LYS 97 7.636 10.456 8.862 733 HD3 LYS 97 2HD LYS 97 8.833 10.975 10.051 734 HE2 LYS 97 1HE LYS 97 9.691 10.254 7.279 735 HE3 LYS 97 2HE LYS 97 8.973 11.833 7.592 736 HZ1 LYS 97 1HZ LYS 97 10.680 12.244 9.249 737 HZ2 LYS 97 2HZ LYS 97 11.382 11.906 7.747 738 HZ3 LYS 97 3HZ LYS 97 11.367 10.724 8.959 739 H SER 98 H SER 98 4.884 7.452 10.156 740 HA SER 98 HA SER 98 5.060 4.733 10.953 741 HB2 SER 98 1HB SER 98 2.766 6.702 11.048 742 HB3 SER 98 2HB SER 98 2.713 5.097 11.774 743 HG SER 98 HG SER 98 4.717 5.833 12.898 744 H ILE 99 H ILE 99 4.018 6.219 8.092 745 HA ILE 99 HA ILE 99 2.270 3.991 7.354 746 HB ILE 99 HB ILE 99 2.851 6.599 5.950 747 HG12 ILE 99 1HG1 ILE 99 0.339 5.560 7.279 748 HG13 ILE 99 2HG1 ILE 99 1.432 6.754 7.970 749 HG21 ILE 99 1HG2 ILE 99 2.414 4.587 4.456 750 HG22 ILE 99 2HG2 ILE 99 0.785 4.581 5.129 751 HG23 ILE 99 3HG2 ILE 99 1.364 5.986 4.235 752 HD11 ILE 99 1HD1 ILE 99 0.941 8.101 5.830 753 HD12 ILE 99 2HD1 ILE 99 -0.448 7.026 5.667 754 HD13 ILE 99 3HD1 ILE 99 -0.279 8.037 7.102 755 H ILE 100 H ILE 100 5.159 5.691 6.173 756 HA ILE 100 HA ILE 100 5.711 4.189 3.928 757 HB ILE 100 HB ILE 100 7.667 5.385 5.892 758 HG12 ILE 100 1HG1 ILE 100 7.079 6.520 3.196 759 HG13 ILE 100 2HG1 ILE 100 5.886 6.751 4.470 760 HG21 ILE 100 1HG2 ILE 100 9.379 5.134 4.281 761 HG22 ILE 100 2HG2 ILE 100 8.592 3.562 4.410 762 HG23 ILE 100 3HG2 ILE 100 8.237 4.616 3.041 763 HD11 ILE 100 1HD1 ILE 100 8.780 7.492 4.773 764 HD12 ILE 100 2HD1 ILE 100 7.544 8.604 4.182 765 HD13 ILE 100 3HD1 ILE 100 7.428 7.940 5.812 766 H THR 101 H THR 101 6.324 3.422 7.301 767 HA THR 101 HA THR 101 7.996 1.185 6.878 768 HB THR 101 HB THR 101 6.139 1.621 9.223 769 HG1 THR 101 1HG THR 101 7.444 3.446 8.983 770 HG21 THR 101 1HG2 THR 101 7.694 0.261 10.456 771 HG22 THR 101 2HG2 THR 101 8.785 0.176 9.073 772 HG23 THR 101 3HG2 THR 101 7.214 -0.622 9.007 773 H TYR 102 H TYR 102 4.491 1.464 7.380 774 HA TYR 102 HA TYR 102 3.926 -1.289 7.320 775 HB2 TYR 102 1HB TYR 102 2.320 0.340 8.168 776 HB3 TYR 102 2HB TYR 102 2.168 1.056 6.567 777 HD1 TYR 102 2HD TYR 102 1.317 -0.505 4.681 778 HD2 TYR 102 1HD TYR 102 0.860 -1.348 8.826 779 HE1 TYR 102 2HE TYR 102 -0.520 -2.055 4.157 780 HE2 TYR 102 1HE TYR 102 -0.978 -2.901 8.315 781 HH TYR 102 HH TYR 102 -2.066 -3.990 6.681 782 H VAL 103 H VAL 103 3.289 1.107 4.752 783 HA VAL 103 HA VAL 103 2.630 -0.608 2.714 784 HB VAL 103 HB VAL 103 2.481 1.828 2.504 785 HG11 VAL 103 1HG1 VAL 103 4.722 2.926 1.711 786 HG12 VAL 103 2HG1 VAL 103 4.362 2.772 3.432 787 HG13 VAL 103 3HG1 VAL 103 5.453 1.626 2.651 788 HG21 VAL 103 1HG2 VAL 103 3.694 0.092 0.475 789 HG22 VAL 103 2HG2 VAL 103 2.267 1.124 0.380 790 HG23 VAL 103 3HG2 VAL 103 3.873 1.819 0.169 791 H ALA 104 H ALA 104 5.805 0.122 3.983 792 HA ALA 104 HA ALA 104 7.445 -0.771 1.940 793 HB1 ALA 104 1HB ALA 104 9.057 -0.389 3.424 794 HB2 ALA 104 2HB ALA 104 7.787 0.015 4.580 795 HB3 ALA 104 3HB ALA 104 8.437 -1.623 4.520 796 H THR 105 H THR 105 5.556 -2.608 4.246 797 HA THR 105 HA THR 105 6.783 -5.122 3.830 798 HB THR 105 HB THR 105 4.912 -6.094 4.951 799 HG1 THR 105 1HG THR 105 3.425 -3.711 4.915 800 HG21 THR 105 1HG2 THR 105 5.667 -5.175 6.835 801 HG22 THR 105 2HG2 THR 105 4.569 -3.818 6.582 802 HG23 THR 105 3HG2 THR 105 6.214 -3.750 5.954 803 H TYR 106 H TYR 106 4.110 -3.458 2.240 804 HA TYR 106 HA TYR 106 3.122 -5.569 0.709 805 HB2 TYR 106 1HB TYR 106 3.141 -2.591 0.358 806 HB3 TYR 106 2HB TYR 106 2.517 -3.621 -0.925 807 HD1 TYR 106 1HD TYR 106 2.163 -4.488 2.627 808 HD2 TYR 106 2HD TYR 106 0.265 -2.778 -0.775 809 HE1 TYR 106 1HE TYR 106 -0.005 -4.610 3.783 810 HE2 TYR 106 2HE TYR 106 -1.909 -2.893 0.372 811 HH TYR 106 HH TYR 106 -2.260 -3.321 3.606 812 H TYR 107 H TYR 107 5.778 -3.327 0.079 813 HA TYR 107 HA TYR 107 6.296 -4.264 -2.560 814 HB2 TYR 107 1HB TYR 107 7.079 -2.092 -2.099 815 HB3 TYR 107 2HB TYR 107 7.845 -2.591 -0.595 816 HD1 TYR 107 2HD TYR 107 8.076 -2.968 -4.288 817 HD2 TYR 107 1HD TYR 107 10.113 -3.168 -0.558 818 HE1 TYR 107 2HE TYR 107 10.213 -3.238 -5.476 819 HE2 TYR 107 1HE TYR 107 12.255 -3.438 -1.736 820 HH TYR 107 HH TYR 107 12.678 -4.427 -4.581 821 H HIS 108 H HIS 108 8.184 -4.640 0.447 822 HA HIS 108 HA HIS 108 10.015 -6.494 -0.477 823 HB2 HIS 108 1HB HIS 108 8.875 -5.934 2.241 824 HB3 HIS 108 2HB HIS 108 9.996 -7.274 2.013 825 HD1 HIS 108 1HD HIS 108 12.196 -6.239 0.391 826 HD2 HIS 108 2HD HIS 108 10.268 -3.829 3.173 827 HE1 HIS 108 1HE HIS 108 13.821 -4.397 0.925 828 HE2 HIS 108 2HE HIS 108 12.666 -3.000 2.674 829 H TYR 109 H TYR 109 6.947 -7.159 1.212 830 HA TYR 109 HA TYR 109 6.978 -9.886 1.276 831 HB2 TYR 109 1HB TYR 109 5.155 -8.714 2.280 832 HB3 TYR 109 2HB TYR 109 4.667 -8.018 0.739 833 HD1 TYR 109 2HD TYR 109 4.642 -11.039 2.819 834 HD2 TYR 109 1HD TYR 109 3.388 -9.307 -0.859 835 HE1 TYR 109 2HE TYR 109 3.085 -12.912 2.473 836 HE2 TYR 109 1HE TYR 109 1.827 -11.174 -1.215 837 HH TYR 109 HH TYR 109 0.938 -13.308 1.193 838 H PHE 110 H PHE 110 5.347 -8.072 -1.329 839 HA PHE 110 HA PHE 110 4.981 -10.230 -3.044 840 HB2 PHE 110 1HB PHE 110 5.020 -7.273 -3.359 841 HB3 PHE 110 2HB PHE 110 5.140 -8.238 -4.827 842 HD1 PHE 110 2HD PHE 110 3.357 -10.107 -5.108 843 HD2 PHE 110 1HD PHE 110 2.946 -6.780 -2.484 844 HE1 PHE 110 2HE PHE 110 0.916 -10.417 -5.104 845 HE2 PHE 110 1HE PHE 110 0.505 -7.085 -2.475 846 HZ PHE 110 HZ PHE 110 -0.513 -8.904 -3.787 847 H SER 111 H SER 111 7.677 -7.943 -2.830 848 HA SER 111 HA SER 111 9.124 -8.743 -5.061 849 HB2 SER 111 1HB SER 111 10.942 -7.582 -4.153 850 HB3 SER 111 2HB SER 111 9.558 -6.807 -3.384 851 HG SER 111 HG SER 111 11.605 -8.035 -2.223 852 H LYS 112 H LYS 112 9.061 -10.105 -1.805 853 HA LYS 112 HA LYS 112 11.177 -11.901 -2.022 854 HB2 LYS 112 1HB LYS 112 8.606 -12.014 -0.453 855 HB3 LYS 112 2HB LYS 112 9.839 -13.262 -0.321 856 HG2 LYS 112 1HG LYS 112 11.439 -11.310 0.204 857 HG3 LYS 112 2HG LYS 112 9.963 -10.393 0.513 858 HD2 LYS 112 1HD LYS 112 10.460 -13.063 1.796 859 HD3 LYS 112 2HD LYS 112 11.080 -11.567 2.499 860 HE2 LYS 112 1HE LYS 112 9.055 -11.811 3.584 861 HE3 LYS 112 2HE LYS 112 8.633 -10.739 2.250 862 HZ1 LYS 112 1HZ LYS 112 7.336 -12.286 1.312 863 HZ2 LYS 112 2HZ LYS 112 7.319 -12.993 2.849 864 HZ3 LYS 112 3HZ LYS 112 8.390 -13.562 1.667 865 H MET 113 H MET 113 7.742 -12.371 -2.812 866 HA MET 113 HA MET 113 7.642 -14.996 -3.477 867 HB2 MET 113 1HB MET 113 6.381 -12.610 -4.801 868 HB3 MET 113 2HB MET 113 6.063 -14.241 -5.378 869 HG2 MET 113 1HG MET 113 5.679 -13.542 -2.497 870 HG3 MET 113 2HG MET 113 4.443 -13.160 -3.694 871 HE1 MET 113 1HE MET 113 2.275 -15.387 -3.494 872 HE2 MET 113 2HE MET 113 2.810 -15.911 -1.898 873 HE3 MET 113 3HE MET 113 2.923 -14.209 -2.352 874 H LYS 114 H LYS 114 7.877 -16.198 -5.442 875 HA LYS 114 HA LYS 114 10.278 -16.256 -6.626 876 HB2 LYS 114 1HB LYS 114 8.297 -17.819 -7.000 877 HB3 LYS 114 2HB LYS 114 7.791 -16.712 -8.269 878 HG2 LYS 114 1HG LYS 114 10.010 -17.062 -9.355 879 HG3 LYS 114 2HG LYS 114 10.335 -18.312 -8.152 880 HD2 LYS 114 1HD LYS 114 8.095 -19.328 -8.928 881 HD3 LYS 114 2HD LYS 114 8.281 -18.285 -10.339 882 HE2 LYS 114 1HE LYS 114 10.469 -19.304 -10.785 883 HE3 LYS 114 2HE LYS 114 10.258 -20.357 -9.387 884 HZ1 LYS 114 1HZ LYS 114 7.995 -20.746 -10.846 885 HZ2 LYS 114 2HZ LYS 114 9.338 -21.773 -10.815 886 HZ3 LYS 114 3HZ LYS 114 9.192 -20.608 -12.034 887 H ALA 115 H ALA 115 11.454 -15.138 -8.066 888 HA ALA 115 HA ALA 115 10.390 -13.526 -10.127 889 HB1 ALA 115 1HB ALA 115 10.678 -11.340 -9.349 890 HB2 ALA 115 2HB ALA 115 9.869 -12.170 -8.020 891 HB3 ALA 115 3HB ALA 115 11.604 -11.865 -7.943 892 H LEU 116 H LEU 116 12.044 -12.460 -11.381 893 HA LEU 116 HA LEU 116 14.254 -13.861 -11.971 894 HB2 LEU 116 1HB LEU 116 15.188 -11.928 -13.004 895 HB3 LEU 116 2HB LEU 116 13.435 -11.850 -13.174 896 HG LEU 116 HG LEU 116 14.704 -10.388 -10.911 897 HD11 LEU 116 1HD1 LEU 116 14.473 -8.955 -13.492 898 HD12 LEU 116 2HD1 LEU 116 15.865 -10.015 -13.273 899 HD13 LEU 116 3HD1 LEU 116 15.575 -8.694 -12.141 900 HD21 LEU 116 1HD2 LEU 116 12.302 -10.429 -11.049 901 HD22 LEU 116 2HD2 LEU 116 12.350 -9.893 -12.729 902 HD23 LEU 116 3HD2 LEU 116 12.872 -8.807 -11.442 903 H ALA 117 H ALA 117 16.345 -14.096 -11.298 904 HA ALA 117 HA ALA 117 17.650 -12.439 -9.429 905 HB1 ALA 117 1HB ALA 117 17.163 -14.991 -8.048 906 HB2 ALA 117 2HB ALA 117 17.277 -13.352 -7.405 907 HB3 ALA 117 3HB ALA 117 15.777 -13.905 -8.149 908 H VAL 118 H VAL 118 19.804 -12.936 -9.269 909 HA VAL 118 HA VAL 118 20.772 -14.986 -11.073 910 HB VAL 118 HB VAL 118 23.041 -14.056 -10.410 911 HG11 VAL 118 1HG1 VAL 118 22.822 -12.843 -12.258 912 HG12 VAL 118 2HG1 VAL 118 21.078 -13.104 -12.172 913 HG13 VAL 118 3HG1 VAL 118 21.796 -11.675 -11.425 914 HG21 VAL 118 1HG2 VAL 118 22.016 -13.077 -8.250 915 HG22 VAL 118 2HG2 VAL 118 23.227 -12.133 -9.117 916 HG23 VAL 118 3HG2 VAL 118 21.517 -11.737 -9.281 917 H GLU 119 H GLU 119 19.508 -16.250 -9.048 918 HA GLU 119 HA GLU 119 19.724 -17.801 -7.393 919 HB2 GLU 119 1HB GLU 119 22.500 -18.036 -8.570 920 HB3 GLU 119 2HB GLU 119 21.737 -19.218 -7.516 921 HG2 GLU 119 1HG GLU 119 19.948 -19.484 -9.230 922 HG3 GLU 119 2HG GLU 119 20.895 -18.450 -10.297 923 H GLY 120 H GLY 120 20.102 -15.205 -6.493 924 HA2 GLY 120 1HA GLY 120 22.463 -15.198 -4.786 925 HA3 GLY 120 2HA GLY 120 21.294 -13.898 -4.954 926 H LYS 121 H LYS 121 22.206 -16.711 -3.195 927 HA LYS 121 HA LYS 121 20.287 -16.044 -1.121 928 HB2 LYS 121 1HB LYS 121 19.475 -18.376 -0.930 929 HB3 LYS 121 2HB LYS 121 19.000 -17.613 -2.440 930 HG2 LYS 121 1HG LYS 121 21.053 -18.754 -3.451 931 HG3 LYS 121 2HG LYS 121 21.068 -19.732 -1.982 932 HD2 LYS 121 1HD LYS 121 18.525 -19.452 -3.521 933 HD3 LYS 121 2HD LYS 121 19.778 -20.542 -4.119 934 HE2 LYS 121 1HE LYS 121 19.802 -21.600 -1.841 935 HE3 LYS 121 2HE LYS 121 18.382 -20.629 -1.450 936 HZ1 LYS 121 1HZ LYS 121 17.122 -21.726 -3.096 937 HZ2 LYS 121 2HZ LYS 121 17.926 -22.945 -2.243 938 HZ3 LYS 121 3HZ LYS 121 18.483 -22.473 -3.769 939 H SER 122 H SER 122 20.858 -16.827 0.928 940 HA SER 122 HA SER 122 23.608 -17.870 1.085 941 HB2 SER 122 1HB SER 122 23.391 -15.650 2.062 942 HB3 SER 122 2HB SER 122 22.052 -16.196 3.072 943 HG SER 122 HG SER 122 24.359 -17.686 3.301 944 H GLY 123 H GLY 123 23.001 -20.060 0.962 945 HA2 GLY 123 1HA GLY 123 22.934 -21.967 2.427 946 HA3 GLY 123 2HA GLY 123 21.835 -21.076 3.469 947 HA PRO 124 HA PRO 124 19.649 -23.804 0.174 948 HB2 PRO 124 1HB PRO 124 19.312 -26.101 1.583 949 HB3 PRO 124 2HB PRO 124 20.703 -25.815 0.532 950 HG2 PRO 124 1HG PRO 124 20.490 -25.547 3.505 951 HG3 PRO 124 2HG PRO 124 21.795 -26.257 2.537 952 HD2 PRO 124 1HD PRO 124 21.942 -23.758 3.571 953 HD3 PRO 124 2HD PRO 124 22.709 -24.202 2.032 954 H SER 125 H SER 125 17.433 -24.667 0.400 955 HA SER 125 HA SER 125 15.948 -23.094 2.317 956 HB2 SER 125 1HB SER 125 13.975 -23.808 1.090 957 HB3 SER 125 2HB SER 125 15.221 -23.308 -0.054 958 HG SER 125 HG SER 125 15.709 -25.779 0.176 959 H SER 126 H SER 126 14.996 -23.796 4.130 960 HA SER 126 HA SER 126 15.225 -26.659 4.760 961 HB2 SER 126 1HB SER 126 16.384 -24.932 6.231 962 HB3 SER 126 2HB SER 126 14.774 -24.425 6.742 963 HG SER 126 HG SER 126 15.459 -25.942 8.196 964 H GLY 127 H GLY 127 13.417 -27.801 4.636 965 HA2 GLY 127 1HA GLY 127 10.842 -26.508 4.512 966 HA3 GLY 127 2HA GLY 127 11.154 -28.231 4.368 Start of MODEL 13 1 H1 GLY 1 H GLY 1 17.828 12.927 7.234 2 HA2 GLY 1 1HA GLY 1 18.989 15.298 7.010 3 HA3 GLY 1 2HA GLY 1 18.853 15.194 8.759 4 H SER 2 H SER 2 20.020 13.550 9.872 5 HA SER 2 HA SER 2 22.277 12.468 8.314 6 HB2 SER 2 1HB SER 2 23.038 14.240 9.807 7 HB3 SER 2 2HB SER 2 22.263 13.448 11.178 8 HG SER 2 HG SER 2 24.475 12.954 11.112 9 H SER 3 H SER 3 22.757 10.350 8.525 10 HA SER 3 HA SER 3 21.818 8.777 10.743 11 HB2 SER 3 1HB SER 3 19.807 8.979 9.218 12 HB3 SER 3 2HB SER 3 20.728 8.086 8.009 13 HG SER 3 HG SER 3 19.540 6.605 9.145 14 H GLY 4 H GLY 4 22.647 6.608 10.722 15 HA2 GLY 4 1HA GLY 4 25.227 6.220 10.153 16 HA3 GLY 4 2HA GLY 4 24.072 4.901 10.036 17 H SER 5 H SER 5 22.631 5.765 7.788 18 HA SER 5 HA SER 5 24.612 6.021 5.654 19 HB2 SER 5 1HB SER 5 23.981 4.059 4.511 20 HB3 SER 5 2HB SER 5 24.112 3.550 6.194 21 HG SER 5 HG SER 5 21.706 4.276 4.870 22 H SER 6 H SER 6 23.405 6.097 3.458 23 HA SER 6 HA SER 6 21.596 8.276 3.574 24 HB2 SER 6 1HB SER 6 23.079 8.043 1.675 25 HB3 SER 6 2HB SER 6 22.388 6.470 1.277 26 HG SER 6 HG SER 6 21.447 9.000 0.743 27 H GLY 7 H GLY 7 19.897 7.451 4.915 28 HA2 GLY 7 1HA GLY 7 18.209 5.374 3.715 29 HA3 GLY 7 2HA GLY 7 18.085 5.979 5.360 30 H ALA 8 H ALA 8 16.779 6.100 2.275 31 HA ALA 8 HA ALA 8 15.157 8.440 3.020 32 HB1 ALA 8 1HB ALA 8 15.886 9.561 1.253 33 HB2 ALA 8 2HB ALA 8 16.898 8.198 0.773 34 HB3 ALA 8 3HB ALA 8 15.232 8.303 0.204 35 H LYS 9 H LYS 9 13.094 8.529 1.686 36 HA LYS 9 HA LYS 9 11.994 5.805 1.488 37 HB2 LYS 9 1HB LYS 9 9.842 6.725 2.037 38 HB3 LYS 9 2HB LYS 9 11.005 7.303 3.222 39 HG2 LYS 9 1HG LYS 9 10.494 9.011 0.854 40 HG3 LYS 9 2HG LYS 9 9.231 8.901 2.081 41 HD2 LYS 9 1HD LYS 9 12.018 9.369 2.998 42 HD3 LYS 9 2HD LYS 9 11.176 10.706 2.212 43 HE2 LYS 9 1HE LYS 9 9.267 10.255 3.825 44 HE3 LYS 9 2HE LYS 9 10.387 9.213 4.701 45 HZ1 LYS 9 1HZ LYS 9 10.207 12.067 4.673 46 HZ2 LYS 9 2HZ LYS 9 11.776 11.530 4.340 47 HZ3 LYS 9 3HZ LYS 9 11.003 11.049 5.766 48 H ASP 10 H ASP 10 13.436 7.251 -0.626 49 HA ASP 10 HA ASP 10 11.473 8.101 -2.547 50 HB2 ASP 10 1HB ASP 10 14.410 7.474 -2.920 51 HB3 ASP 10 2HB ASP 10 13.376 8.296 -4.086 52 H ALA 11 H ALA 11 13.812 5.404 -2.515 53 HA ALA 11 HA ALA 11 13.121 3.992 -4.692 54 HB1 ALA 11 1HB ALA 11 13.246 2.164 -2.454 55 HB2 ALA 11 2HB ALA 11 14.383 2.402 -3.782 56 HB3 ALA 11 3HB ALA 11 14.482 3.417 -2.344 57 H LEU 12 H LEU 12 11.402 3.733 -1.581 58 HA LEU 12 HA LEU 12 9.422 1.950 -2.504 59 HB2 LEU 12 1HB LEU 12 10.002 2.388 -0.121 60 HB3 LEU 12 2HB LEU 12 9.190 3.945 -0.257 61 HG LEU 12 HG LEU 12 7.069 2.774 -0.709 62 HD11 LEU 12 1HD1 LEU 12 7.403 0.721 -1.601 63 HD12 LEU 12 2HD1 LEU 12 7.291 0.236 0.091 64 HD13 LEU 12 3HD1 LEU 12 8.871 0.430 -0.668 65 HD21 LEU 12 1HD2 LEU 12 8.594 2.223 1.812 66 HD22 LEU 12 2HD2 LEU 12 6.931 1.668 1.615 67 HD23 LEU 12 3HD2 LEU 12 7.305 3.390 1.523 68 H LEU 13 H LEU 13 9.201 5.453 -1.853 69 HA LEU 13 HA LEU 13 6.684 6.015 -2.650 70 HB2 LEU 13 1HB LEU 13 8.261 7.699 -1.862 71 HB3 LEU 13 2HB LEU 13 9.151 7.589 -3.379 72 HG LEU 13 HG LEU 13 7.009 8.383 -4.508 73 HD11 LEU 13 1HD1 LEU 13 6.178 9.723 -2.045 74 HD12 LEU 13 2HD1 LEU 13 5.895 7.984 -2.054 75 HD13 LEU 13 3HD1 LEU 13 5.210 8.994 -3.326 76 HD21 LEU 13 1HD2 LEU 13 7.857 10.469 -4.498 77 HD22 LEU 13 2HD2 LEU 13 9.168 9.717 -3.591 78 HD23 LEU 13 3HD2 LEU 13 7.881 10.568 -2.738 79 H LEU 14 H LEU 14 9.463 5.701 -4.847 80 HA LEU 14 HA LEU 14 8.096 6.195 -7.234 81 HB2 LEU 14 1HB LEU 14 10.473 6.210 -7.220 82 HB3 LEU 14 2HB LEU 14 10.542 4.550 -6.632 83 HG LEU 14 HG LEU 14 9.604 3.805 -8.816 84 HD11 LEU 14 1HD1 LEU 14 9.489 6.707 -9.217 85 HD12 LEU 14 2HD1 LEU 14 8.553 5.414 -9.969 86 HD13 LEU 14 3HD1 LEU 14 10.166 5.799 -10.568 87 HD21 LEU 14 1HD2 LEU 14 11.668 3.940 -9.989 88 HD22 LEU 14 2HD2 LEU 14 12.053 3.873 -8.269 89 HD23 LEU 14 3HD2 LEU 14 12.132 5.410 -9.132 90 H TRP 15 H TRP 15 8.609 3.190 -5.448 91 HA TRP 15 HA TRP 15 7.667 1.349 -7.277 92 HB2 TRP 15 1HB TRP 15 8.665 0.844 -5.029 93 HB3 TRP 15 2HB TRP 15 7.116 1.268 -4.304 94 HD1 TRP 15 HD TRP 15 8.421 -1.240 -6.974 95 HE1 TRP 15 1HE TRP 15 7.070 -3.418 -6.733 96 HE3 TRP 15 3HE TRP 15 5.215 0.201 -3.262 97 HZ2 TRP 15 2HZ TRP 15 4.927 -4.394 -5.175 98 HZ3 TRP 15 3HZ TRP 15 3.544 -1.414 -2.454 99 HH2 TRP 15 HH TRP 15 3.405 -3.664 -3.392 100 H CYS 16 H CYS 16 5.726 2.866 -4.690 101 HA CYS 16 HA CYS 16 3.250 1.905 -5.465 102 HB2 CYS 16 1HB CYS 16 4.035 3.388 -3.414 103 HB3 CYS 16 2HB CYS 16 3.433 4.697 -4.422 104 HG CYS 16 HG CYS 16 1.694 2.166 -2.969 105 H GLN 17 H GLN 17 4.922 4.840 -6.533 106 HA GLN 17 HA GLN 17 2.885 5.930 -8.092 107 HB2 GLN 17 1HB GLN 17 5.885 6.084 -8.304 108 HB3 GLN 17 2HB GLN 17 4.828 6.957 -9.405 109 HG2 GLN 17 1HG GLN 17 3.821 8.126 -7.507 110 HG3 GLN 17 2HG GLN 17 4.900 7.262 -6.412 111 HE21 GLN 17 1HE2 GLN 17 4.986 9.887 -6.233 112 HE22 GLN 17 2HE2 GLN 17 6.405 10.539 -6.970 113 H MET 18 H MET 18 5.398 3.581 -8.941 114 HA MET 18 HA MET 18 4.763 3.398 -11.682 115 HB2 MET 18 1HB MET 18 6.060 1.393 -9.831 116 HB3 MET 18 2HB MET 18 5.987 1.224 -11.579 117 HG2 MET 18 1HG MET 18 7.118 3.579 -11.556 118 HG3 MET 18 2HG MET 18 7.580 3.112 -9.921 119 HE1 MET 18 1HE MET 18 8.867 1.456 -9.211 120 HE2 MET 18 2HE MET 18 8.902 -0.075 -10.086 121 HE3 MET 18 3HE MET 18 10.330 0.960 -10.062 122 H LYS 19 H LYS 19 3.815 1.356 -8.925 123 HA LYS 19 HA LYS 19 2.162 -0.382 -10.411 124 HB2 LYS 19 1HB LYS 19 1.922 0.315 -7.480 125 HB3 LYS 19 2HB LYS 19 1.307 -1.130 -8.269 126 HG2 LYS 19 1HG LYS 19 4.197 -0.380 -7.887 127 HG3 LYS 19 2HG LYS 19 3.313 -1.662 -7.057 128 HD2 LYS 19 1HD LYS 19 2.898 -2.659 -9.357 129 HD3 LYS 19 2HD LYS 19 4.107 -1.521 -9.955 130 HE2 LYS 19 1HE LYS 19 5.446 -3.323 -9.537 131 HE3 LYS 19 2HE LYS 19 5.525 -2.523 -7.967 132 HZ1 LYS 19 1HZ LYS 19 4.025 -4.040 -7.045 133 HZ2 LYS 19 2HZ LYS 19 5.065 -4.998 -7.975 134 HZ3 LYS 19 3HZ LYS 19 3.521 -4.619 -8.553 135 H THR 20 H THR 20 1.183 2.175 -8.119 136 HA THR 20 HA THR 20 -1.510 2.209 -8.619 137 HB THR 20 HB THR 20 -1.517 4.581 -7.933 138 HG1 THR 20 1HG THR 20 1.257 4.290 -8.403 139 HG21 THR 20 1HG2 THR 20 -1.433 3.664 -5.902 140 HG22 THR 20 2HG2 THR 20 0.312 3.917 -5.923 141 HG23 THR 20 3HG2 THR 20 -0.363 2.381 -6.468 142 H ALA 21 H ALA 21 1.021 3.183 -10.725 143 HA ALA 21 HA ALA 21 -0.075 5.107 -12.334 144 HB1 ALA 21 1HB ALA 21 1.485 4.536 -13.931 145 HB2 ALA 21 2HB ALA 21 2.195 3.836 -12.476 146 HB3 ALA 21 3HB ALA 21 1.330 2.807 -13.617 147 H GLY 22 H GLY 22 -1.770 5.258 -13.663 148 HA2 GLY 22 1HA GLY 22 -3.025 4.179 -15.502 149 HA3 GLY 22 2HA GLY 22 -3.098 2.748 -14.484 150 H TYR 23 H TYR 23 -3.709 4.037 -12.037 151 HA TYR 23 HA TYR 23 -6.538 4.368 -12.396 152 HB2 TYR 23 1HB TYR 23 -4.756 4.508 -9.961 153 HB3 TYR 23 2HB TYR 23 -6.501 4.727 -9.892 154 HD1 TYR 23 2HD TYR 23 -3.811 2.310 -10.631 155 HD2 TYR 23 1HD TYR 23 -7.983 2.862 -10.004 156 HE1 TYR 23 2HE TYR 23 -4.104 -0.127 -10.466 157 HE2 TYR 23 1HE TYR 23 -8.287 0.427 -9.837 158 HH TYR 23 HH TYR 23 -6.483 -1.607 -9.126 159 HA PRO 24 HA PRO 24 -6.417 8.768 -12.936 160 HB2 PRO 24 1HB PRO 24 -9.097 9.174 -12.782 161 HB3 PRO 24 2HB PRO 24 -8.308 8.499 -14.213 162 HG2 PRO 24 1HG PRO 24 -9.757 7.089 -12.004 163 HG3 PRO 24 2HG PRO 24 -9.834 6.805 -13.753 164 HD2 PRO 24 1HD PRO 24 -8.359 5.259 -12.090 165 HD3 PRO 24 2HD PRO 24 -7.879 5.584 -13.769 166 H ASN 25 H ASN 25 -8.627 7.448 -10.462 167 HA ASN 25 HA ASN 25 -8.387 9.834 -8.853 168 HB2 ASN 25 1HB ASN 25 -9.900 8.660 -7.297 169 HB3 ASN 25 2HB ASN 25 -10.528 8.663 -8.942 170 HD21 ASN 25 1HD2 ASN 25 -10.771 6.857 -6.492 171 HD22 ASN 25 2HD2 ASN 25 -10.528 5.272 -7.135 172 H VAL 26 H VAL 26 -5.950 8.353 -9.358 173 HA VAL 26 HA VAL 26 -5.185 7.843 -6.569 174 HB VAL 26 HB VAL 26 -4.331 6.116 -8.896 175 HG11 VAL 26 1HG1 VAL 26 -2.537 6.278 -7.338 176 HG12 VAL 26 2HG1 VAL 26 -3.627 6.061 -5.968 177 HG13 VAL 26 3HG1 VAL 26 -3.321 4.721 -7.074 178 HG21 VAL 26 1HG2 VAL 26 -5.692 4.398 -8.038 179 HG22 VAL 26 2HG2 VAL 26 -5.977 5.265 -6.528 180 HG23 VAL 26 3HG2 VAL 26 -6.706 5.841 -8.026 181 H ASN 27 H ASN 27 -3.239 8.658 -5.981 182 HA ASN 27 HA ASN 27 -1.193 9.319 -7.868 183 HB2 ASN 27 1HB ASN 27 -2.858 11.194 -8.156 184 HB3 ASN 27 2HB ASN 27 -2.537 11.646 -6.485 185 HD21 ASN 27 1HD2 ASN 27 -1.950 13.681 -7.590 186 HD22 ASN 27 2HD2 ASN 27 -0.323 13.860 -8.142 187 H VAL 28 H VAL 28 0.575 8.772 -6.792 188 HA VAL 28 HA VAL 28 0.657 9.146 -3.883 189 HB VAL 28 HB VAL 28 2.541 7.524 -5.597 190 HG11 VAL 28 1HG1 VAL 28 2.664 8.381 -2.901 191 HG12 VAL 28 2HG1 VAL 28 2.356 6.643 -2.898 192 HG13 VAL 28 3HG1 VAL 28 3.756 7.289 -3.756 193 HG21 VAL 28 1HG2 VAL 28 0.195 6.702 -5.675 194 HG22 VAL 28 2HG2 VAL 28 1.320 5.565 -4.932 195 HG23 VAL 28 3HG2 VAL 28 0.241 6.527 -3.920 196 H HIS 29 H HIS 29 1.217 11.306 -3.729 197 HA HIS 29 HA HIS 29 3.777 12.098 -4.944 198 HB2 HIS 29 1HB HIS 29 1.882 13.530 -5.541 199 HB3 HIS 29 2HB HIS 29 1.550 13.821 -3.836 200 HD1 HIS 29 1HD HIS 29 4.430 14.352 -6.270 201 HD2 HIS 29 2HD HIS 29 2.709 16.079 -2.906 202 HE1 HIS 29 1HE HIS 29 5.707 16.483 -5.881 203 HE2 HIS 29 2HE HIS 29 4.703 17.467 -3.791 204 H ASN 30 H ASN 30 2.036 11.777 -1.930 205 HA ASN 30 HA ASN 30 4.553 12.237 -0.491 206 HB2 ASN 30 1HB ASN 30 2.997 13.246 1.354 207 HB3 ASN 30 2HB ASN 30 3.522 14.256 0.009 208 HD21 ASN 30 1HD2 ASN 30 0.938 11.906 0.661 209 HD22 ASN 30 2HD2 ASN 30 -0.336 12.876 0.014 210 H PHE 31 H PHE 31 4.253 11.508 1.893 211 HA PHE 31 HA PHE 31 2.885 8.903 1.833 212 HB2 PHE 31 1HB PHE 31 5.383 9.847 3.214 213 HB3 PHE 31 2HB PHE 31 4.519 8.424 3.786 214 HD1 PHE 31 2HD PHE 31 3.875 6.747 1.780 215 HD2 PHE 31 1HD PHE 31 7.136 9.482 1.795 216 HE1 PHE 31 2HE PHE 31 5.033 5.371 0.102 217 HE2 PHE 31 1HE PHE 31 8.299 8.111 0.116 218 HZ PHE 31 HZ PHE 31 7.248 6.052 -0.732 219 H THR 32 H THR 32 1.699 11.511 2.544 220 HA THR 32 HA THR 32 0.834 10.816 5.272 221 HB THR 32 HB THR 32 0.575 13.209 5.786 222 HG1 THR 32 1HG THR 32 2.183 14.100 3.752 223 HG21 THR 32 1HG2 THR 32 3.286 12.185 4.998 224 HG22 THR 32 2HG2 THR 32 2.586 12.341 6.610 225 HG23 THR 32 3HG2 THR 32 3.085 13.781 5.722 226 H THR 33 H THR 33 -0.150 13.327 2.957 227 HA THR 33 HA THR 33 -2.929 12.618 3.350 228 HB THR 33 HB THR 33 -3.428 14.554 1.920 229 HG1 THR 33 1HG THR 33 -1.441 14.286 0.628 230 HG21 THR 33 1HG2 THR 33 -2.852 16.188 3.472 231 HG22 THR 33 2HG2 THR 33 -1.285 15.454 3.813 232 HG23 THR 33 3HG2 THR 33 -2.762 14.705 4.422 233 H SER 34 H SER 34 -1.192 10.701 1.991 234 HA SER 34 HA SER 34 -2.494 10.644 -0.654 235 HB2 SER 34 1HB SER 34 -0.043 10.828 -0.795 236 HB3 SER 34 2HB SER 34 0.124 9.366 0.177 237 HG SER 34 HG SER 34 -0.754 9.661 -2.470 238 H TRP 35 H TRP 35 -1.917 8.968 2.318 239 HA TRP 35 HA TRP 35 -3.421 6.647 1.300 240 HB2 TRP 35 1HB TRP 35 -1.689 6.620 3.766 241 HB3 TRP 35 2HB TRP 35 -2.285 5.251 2.833 242 HD1 TRP 35 HD TRP 35 0.176 8.217 2.363 243 HE1 TRP 35 1HE TRP 35 2.091 7.419 0.840 244 HE3 TRP 35 3HE TRP 35 -1.528 3.512 1.313 245 HZ2 TRP 35 2HZ TRP 35 2.787 5.102 -0.614 246 HZ3 TRP 35 3HZ TRP 35 -0.178 2.069 -0.153 247 HH2 TRP 35 HH TRP 35 1.934 2.849 -1.096 248 H ARG 36 H ARG 36 -3.922 9.389 2.906 249 HA ARG 36 HA ARG 36 -5.162 8.691 5.313 250 HB2 ARG 36 1HB ARG 36 -4.575 11.008 4.608 251 HB3 ARG 36 2HB ARG 36 -5.920 10.967 3.474 252 HG2 ARG 36 1HG ARG 36 -7.294 10.368 5.634 253 HG3 ARG 36 2HG ARG 36 -5.939 11.163 6.439 254 HD2 ARG 36 1HD ARG 36 -6.314 13.186 5.242 255 HD3 ARG 36 2HD ARG 36 -7.471 12.405 4.165 256 HE ARG 36 HE ARG 36 -8.493 12.116 6.705 257 HH11 ARG 36 1HH1 ARG 36 -7.599 14.758 4.622 258 HH12 ARG 36 2HH1 ARG 36 -8.772 15.849 5.283 259 HH21 ARG 36 1HH2 ARG 36 -10.042 13.542 7.584 260 HH22 ARG 36 2HH2 ARG 36 -10.160 15.156 6.969 261 H ASP 37 H ASP 37 -6.540 9.077 2.060 262 HA ASP 37 HA ASP 37 -9.198 8.463 2.795 263 HB2 ASP 37 1HB ASP 37 -7.898 8.086 0.090 264 HB3 ASP 37 2HB ASP 37 -9.623 8.231 0.417 265 H GLY 38 H GLY 38 -6.784 6.456 1.087 266 HA2 GLY 38 1HA GLY 38 -6.536 4.174 2.184 267 HA3 GLY 38 2HA GLY 38 -8.281 4.080 1.998 268 H LEU 39 H LEU 39 -8.391 5.321 -0.585 269 HA LEU 39 HA LEU 39 -8.471 3.294 -2.321 270 HB2 LEU 39 1HB LEU 39 -7.522 6.099 -2.834 271 HB3 LEU 39 2HB LEU 39 -7.799 4.940 -4.132 272 HG LEU 39 HG LEU 39 -9.919 5.836 -2.182 273 HD11 LEU 39 1HD1 LEU 39 -9.561 6.730 -5.034 274 HD12 LEU 39 2HD1 LEU 39 -9.023 7.668 -3.642 275 HD13 LEU 39 3HD1 LEU 39 -10.737 7.312 -3.855 276 HD21 LEU 39 1HD2 LEU 39 -11.396 4.916 -4.024 277 HD22 LEU 39 2HD2 LEU 39 -10.504 3.730 -3.069 278 HD23 LEU 39 3HD2 LEU 39 -9.941 4.166 -4.683 279 H ALA 40 H ALA 40 -5.542 5.307 -1.995 280 HA ALA 40 HA ALA 40 -3.785 4.123 -3.627 281 HB1 ALA 40 1HB ALA 40 -2.397 5.457 -2.529 282 HB2 ALA 40 2HB ALA 40 -3.582 5.635 -1.234 283 HB3 ALA 40 3HB ALA 40 -2.390 4.337 -1.167 284 H PHE 41 H PHE 41 -4.291 2.937 -0.297 285 HA PHE 41 HA PHE 41 -2.735 0.640 -0.513 286 HB2 PHE 41 1HB PHE 41 -5.090 1.341 1.225 287 HB3 PHE 41 2HB PHE 41 -4.299 -0.228 1.347 288 HD1 PHE 41 1HD PHE 41 -1.564 0.110 1.331 289 HD2 PHE 41 2HD PHE 41 -4.474 2.820 2.851 290 HE1 PHE 41 1HE PHE 41 0.128 1.078 2.834 291 HE2 PHE 41 2HE PHE 41 -2.787 3.792 4.356 292 HZ PHE 41 HZ PHE 41 -0.483 2.921 4.348 293 H ASN 42 H ASN 42 -6.169 1.132 -1.213 294 HA ASN 42 HA ASN 42 -6.668 -1.604 -1.862 295 HB2 ASN 42 1HB ASN 42 -8.262 0.866 -2.587 296 HB3 ASN 42 2HB ASN 42 -8.833 -0.797 -2.687 297 HD21 ASN 42 1HD2 ASN 42 -8.384 1.926 -0.702 298 HD22 ASN 42 2HD2 ASN 42 -8.964 1.239 0.773 299 H ALA 43 H ALA 43 -4.776 0.551 -3.377 300 HA ALA 43 HA ALA 43 -5.559 -0.195 -6.100 301 HB1 ALA 43 1HB ALA 43 -3.349 1.699 -5.357 302 HB2 ALA 43 2HB ALA 43 -4.234 1.583 -6.878 303 HB3 ALA 43 3HB ALA 43 -5.037 2.205 -5.436 304 H ILE 44 H ILE 44 -2.857 -0.425 -3.836 305 HA ILE 44 HA ILE 44 -1.002 -1.624 -5.567 306 HB ILE 44 HB ILE 44 -1.241 -2.029 -2.584 307 HG12 ILE 44 1HG1 ILE 44 0.538 -0.043 -3.986 308 HG13 ILE 44 2HG1 ILE 44 -1.098 0.376 -3.490 309 HG21 ILE 44 1HG2 ILE 44 0.291 -3.494 -4.164 310 HG22 ILE 44 2HG2 ILE 44 1.345 -2.086 -4.042 311 HG23 ILE 44 3HG2 ILE 44 0.850 -2.943 -2.584 312 HD11 ILE 44 1HD1 ILE 44 0.437 1.124 -1.822 313 HD12 ILE 44 2HD1 ILE 44 -0.485 -0.229 -1.166 314 HD13 ILE 44 3HD1 ILE 44 1.173 -0.475 -1.715 315 H VAL 45 H VAL 45 -3.370 -3.061 -3.344 316 HA VAL 45 HA VAL 45 -2.683 -5.752 -3.859 317 HB VAL 45 HB VAL 45 -5.334 -4.632 -2.936 318 HG11 VAL 45 1HG1 VAL 45 -4.835 -7.171 -3.804 319 HG12 VAL 45 2HG1 VAL 45 -4.535 -7.311 -2.071 320 HG13 VAL 45 3HG1 VAL 45 -6.092 -6.721 -2.653 321 HG21 VAL 45 1HG2 VAL 45 -3.546 -3.956 -1.455 322 HG22 VAL 45 2HG2 VAL 45 -4.514 -5.208 -0.677 323 HG23 VAL 45 3HG2 VAL 45 -2.946 -5.612 -1.374 324 H HIS 46 H HIS 46 -5.605 -3.993 -4.918 325 HA HIS 46 HA HIS 46 -6.755 -5.695 -6.620 326 HB2 HIS 46 1HB HIS 46 -7.295 -3.211 -6.204 327 HB3 HIS 46 2HB HIS 46 -6.234 -2.888 -7.571 328 HD1 HIS 46 1HD HIS 46 -7.196 -3.197 -9.874 329 HD2 HIS 46 2HD HIS 46 -9.650 -4.727 -6.890 330 HE1 HIS 46 1HE HIS 46 -9.351 -3.802 -11.020 331 HE2 HIS 46 2HE HIS 46 -10.850 -4.646 -9.181 332 H LYS 47 H LYS 47 -4.042 -3.599 -7.594 333 HA LYS 47 HA LYS 47 -3.714 -4.448 -10.190 334 HB2 LYS 47 1HB LYS 47 -2.444 -2.626 -8.931 335 HB3 LYS 47 2HB LYS 47 -1.387 -3.906 -8.351 336 HG2 LYS 47 1HG LYS 47 -0.214 -3.187 -10.170 337 HG3 LYS 47 2HG LYS 47 -1.183 -4.467 -10.905 338 HD2 LYS 47 1HD LYS 47 -2.549 -2.984 -12.009 339 HD3 LYS 47 2HD LYS 47 -2.280 -1.696 -10.832 340 HE2 LYS 47 1HE LYS 47 -1.143 -1.002 -12.765 341 HE3 LYS 47 2HE LYS 47 0.112 -1.626 -11.697 342 HZ1 LYS 47 1HZ LYS 47 0.722 -2.847 -13.438 343 HZ2 LYS 47 2HZ LYS 47 -0.719 -2.564 -14.276 344 HZ3 LYS 47 3HZ LYS 47 -0.639 -3.804 -13.129 345 H HIS 48 H HIS 48 -2.474 -5.948 -7.234 346 HA HIS 48 HA HIS 48 -1.081 -8.028 -8.629 347 HB2 HIS 48 1HB HIS 48 -1.907 -7.944 -5.721 348 HB3 HIS 48 2HB HIS 48 -0.665 -8.969 -6.435 349 HD1 HIS 48 1HD HIS 48 0.944 -6.947 -8.027 350 HD2 HIS 48 2HD HIS 48 -0.479 -6.223 -4.191 351 HE1 HIS 48 1HE HIS 48 2.429 -5.148 -7.087 352 HE2 HIS 48 2HE HIS 48 1.602 -4.786 -4.735 353 H ARG 49 H ARG 49 -4.075 -7.907 -6.706 354 HA ARG 49 HA ARG 49 -5.001 -10.283 -8.171 355 HB2 ARG 49 1HB ARG 49 -5.469 -9.766 -5.230 356 HB3 ARG 49 2HB ARG 49 -6.028 -11.159 -6.148 357 HG2 ARG 49 1HG ARG 49 -3.116 -10.492 -5.843 358 HG3 ARG 49 2HG ARG 49 -3.993 -11.495 -4.685 359 HD2 ARG 49 1HD ARG 49 -3.901 -12.074 -7.638 360 HD3 ARG 49 2HD ARG 49 -2.738 -12.734 -6.489 361 HE ARG 49 HE ARG 49 -5.518 -13.215 -5.850 362 HH11 ARG 49 1HH1 ARG 49 -2.638 -14.394 -7.410 363 HH12 ARG 49 2HH1 ARG 49 -3.139 -16.052 -7.374 364 HH21 ARG 49 1HH2 ARG 49 -6.190 -15.395 -5.796 365 HH22 ARG 49 2HH2 ARG 49 -5.160 -16.620 -6.456 366 HA PRO 50 HA PRO 50 -8.124 -7.013 -8.770 367 HB2 PRO 50 1HB PRO 50 -8.977 -7.983 -11.158 368 HB3 PRO 50 2HB PRO 50 -7.555 -6.945 -10.995 369 HG2 PRO 50 1HG PRO 50 -7.706 -9.923 -11.258 370 HG3 PRO 50 2HG PRO 50 -6.595 -8.786 -12.044 371 HD2 PRO 50 1HD PRO 50 -5.886 -10.259 -9.887 372 HD3 PRO 50 2HD PRO 50 -5.238 -8.635 -10.188 373 H ASP 51 H ASP 51 -8.227 -10.187 -7.927 374 HA ASP 51 HA ASP 51 -11.099 -10.532 -8.333 375 HB2 ASP 51 1HB ASP 51 -9.231 -12.481 -6.989 376 HB3 ASP 51 2HB ASP 51 -10.793 -12.809 -7.732 377 H LEU 52 H LEU 52 -8.724 -10.363 -5.707 378 HA LEU 52 HA LEU 52 -10.250 -10.830 -3.503 379 HB2 LEU 52 1HB LEU 52 -8.232 -8.611 -3.808 380 HB3 LEU 52 2HB LEU 52 -8.799 -9.282 -2.280 381 HG LEU 52 HG LEU 52 -7.132 -10.684 -4.366 382 HD11 LEU 52 1HD1 LEU 52 -5.401 -9.887 -3.236 383 HD12 LEU 52 2HD1 LEU 52 -5.981 -10.709 -1.788 384 HD13 LEU 52 3HD1 LEU 52 -6.483 -9.051 -2.121 385 HD21 LEU 52 1HD2 LEU 52 -7.095 -12.321 -2.231 386 HD22 LEU 52 2HD2 LEU 52 -8.207 -12.508 -3.587 387 HD23 LEU 52 3HD2 LEU 52 -8.740 -11.697 -2.113 388 H LEU 53 H LEU 53 -9.690 -7.511 -4.686 389 HA LEU 53 HA LEU 53 -12.422 -6.846 -3.807 390 HB2 LEU 53 1HB LEU 53 -11.684 -4.682 -3.139 391 HB3 LEU 53 2HB LEU 53 -10.638 -5.879 -2.378 392 HG LEU 53 HG LEU 53 -9.869 -4.368 -4.868 393 HD11 LEU 53 1HD1 LEU 53 -8.353 -3.358 -2.814 394 HD12 LEU 53 2HD1 LEU 53 -9.959 -3.482 -2.096 395 HD13 LEU 53 3HD1 LEU 53 -9.723 -2.555 -3.578 396 HD21 LEU 53 1HD2 LEU 53 -7.574 -5.007 -3.689 397 HD22 LEU 53 2HD2 LEU 53 -8.399 -6.101 -4.799 398 HD23 LEU 53 3HD2 LEU 53 -8.567 -6.321 -3.056 399 H ASP 54 H ASP 54 -13.158 -4.707 -4.874 400 HA ASP 54 HA ASP 54 -12.363 -4.728 -7.712 401 HB2 ASP 54 1HB ASP 54 -15.103 -4.661 -6.477 402 HB3 ASP 54 2HB ASP 54 -14.824 -3.995 -8.084 403 H PHE 55 H PHE 55 -11.000 -2.963 -7.531 404 HA PHE 55 HA PHE 55 -11.331 -0.626 -6.157 405 HB2 PHE 55 1HB PHE 55 -9.453 -1.463 -7.828 406 HB3 PHE 55 2HB PHE 55 -10.315 -0.423 -8.957 407 HD1 PHE 55 1HD PHE 55 -8.868 -0.369 -5.525 408 HD2 PHE 55 2HD PHE 55 -9.745 1.802 -9.079 409 HE1 PHE 55 1HE PHE 55 -7.683 1.588 -4.617 410 HE2 PHE 55 2HE PHE 55 -8.561 3.762 -8.178 411 HZ PHE 55 HZ PHE 55 -7.527 3.655 -5.945 412 H GLU 56 H GLU 56 -12.587 -1.361 -9.397 413 HA GLU 56 HA GLU 56 -13.772 1.117 -9.912 414 HB2 GLU 56 1HB GLU 56 -15.173 -0.092 -11.542 415 HB3 GLU 56 2HB GLU 56 -13.477 -0.544 -11.658 416 HG2 GLU 56 1HG GLU 56 -13.855 -2.630 -10.640 417 HG3 GLU 56 2HG GLU 56 -15.458 -2.155 -10.083 418 H SER 57 H SER 57 -14.810 -1.549 -7.936 419 HA SER 57 HA SER 57 -17.540 -0.684 -7.717 420 HB2 SER 57 1HB SER 57 -16.478 -3.069 -7.342 421 HB3 SER 57 2HB SER 57 -16.266 -2.484 -5.693 422 HG SER 57 HG SER 57 -18.753 -2.252 -6.995 423 H LEU 58 H LEU 58 -14.653 -0.496 -5.670 424 HA LEU 58 HA LEU 58 -15.597 0.530 -3.351 425 HB2 LEU 58 1HB LEU 58 -13.207 1.616 -4.830 426 HB3 LEU 58 2HB LEU 58 -13.504 1.732 -3.097 427 HG LEU 58 HG LEU 58 -12.950 -0.801 -4.640 428 HD11 LEU 58 1HD1 LEU 58 -11.279 0.917 -2.831 429 HD12 LEU 58 2HD1 LEU 58 -10.926 0.378 -4.472 430 HD13 LEU 58 3HD1 LEU 58 -10.902 -0.778 -3.139 431 HD21 LEU 58 1HD2 LEU 58 -13.349 -0.365 -1.682 432 HD22 LEU 58 2HD2 LEU 58 -12.897 -1.884 -2.457 433 HD23 LEU 58 3HD2 LEU 58 -14.482 -1.171 -2.768 434 H LYS 59 H LYS 59 -16.235 2.503 -2.532 435 HA LYS 59 HA LYS 59 -16.963 4.525 -4.547 436 HB2 LYS 59 1HB LYS 59 -18.293 3.611 -2.021 437 HB3 LYS 59 2HB LYS 59 -18.588 5.237 -2.625 438 HG2 LYS 59 1HG LYS 59 -18.891 2.975 -4.522 439 HG3 LYS 59 2HG LYS 59 -20.129 3.198 -3.283 440 HD2 LYS 59 1HD LYS 59 -19.258 5.584 -4.826 441 HD3 LYS 59 2HD LYS 59 -20.272 4.395 -5.648 442 HE2 LYS 59 1HE LYS 59 -21.822 5.869 -4.745 443 HE3 LYS 59 2HE LYS 59 -21.774 4.568 -3.557 444 HZ1 LYS 59 1HZ LYS 59 -20.581 5.857 -2.072 445 HZ2 LYS 59 2HZ LYS 59 -21.657 6.977 -2.740 446 HZ3 LYS 59 3HZ LYS 59 -20.046 6.939 -3.257 447 H LYS 60 H LYS 60 -16.276 6.581 -4.319 448 HA LYS 60 HA LYS 60 -14.261 7.119 -2.323 449 HB2 LYS 60 1HB LYS 60 -15.378 8.811 -4.564 450 HB3 LYS 60 2HB LYS 60 -14.058 9.308 -3.513 451 HG2 LYS 60 1HG LYS 60 -12.673 7.516 -4.321 452 HG3 LYS 60 2HG LYS 60 -14.009 6.868 -5.276 453 HD2 LYS 60 1HD LYS 60 -12.735 8.054 -6.832 454 HD3 LYS 60 2HD LYS 60 -14.038 9.171 -6.419 455 HE2 LYS 60 1HE LYS 60 -11.336 9.206 -5.091 456 HE3 LYS 60 2HE LYS 60 -11.731 10.174 -6.509 457 HZ1 LYS 60 1HZ LYS 60 -12.584 10.497 -3.747 458 HZ2 LYS 60 2HZ LYS 60 -13.749 10.826 -4.927 459 HZ3 LYS 60 3HZ LYS 60 -12.281 11.667 -4.931 460 H CYS 61 H CYS 61 -16.611 6.701 -1.020 461 HA CYS 61 HA CYS 61 -17.453 9.405 -0.207 462 HB2 CYS 61 1HB CYS 61 -19.322 8.171 -1.122 463 HB3 CYS 61 2HB CYS 61 -18.970 6.792 -0.087 464 HG CYS 61 HG CYS 61 -19.972 7.760 2.174 465 H ASN 62 H ASN 62 -17.108 6.101 1.095 466 HA ASN 62 HA ASN 62 -16.423 7.284 3.699 467 HB2 ASN 62 1HB ASN 62 -18.355 5.578 3.401 468 HB3 ASN 62 2HB ASN 62 -17.071 4.379 3.269 469 HD21 ASN 62 1HD2 ASN 62 -16.715 3.369 5.095 470 HD22 ASN 62 2HD2 ASN 62 -16.823 4.047 6.680 471 H ALA 63 H ALA 63 -14.314 7.442 4.051 472 HA ALA 63 HA ALA 63 -12.385 5.880 2.627 473 HB1 ALA 63 1HB ALA 63 -11.053 7.562 3.183 474 HB2 ALA 63 2HB ALA 63 -12.377 8.273 4.106 475 HB3 ALA 63 3HB ALA 63 -11.236 7.185 4.896 476 H HIS 64 H HIS 64 -13.356 6.063 6.050 477 HA HIS 64 HA HIS 64 -11.742 4.303 7.270 478 HB2 HIS 64 1HB HIS 64 -13.633 5.401 8.390 479 HB3 HIS 64 2HB HIS 64 -14.754 4.329 7.557 480 HD1 HIS 64 1HD HIS 64 -11.574 3.529 9.493 481 HD2 HIS 64 2HD HIS 64 -15.628 2.623 9.462 482 HE1 HIS 64 1HE HIS 64 -11.893 1.809 11.299 483 HE2 HIS 64 2HE HIS 64 -14.338 1.213 11.204 484 H TYR 65 H TYR 65 -14.654 3.307 5.472 485 HA TYR 65 HA TYR 65 -14.289 0.550 5.736 486 HB2 TYR 65 1HB TYR 65 -16.400 1.425 4.980 487 HB3 TYR 65 2HB TYR 65 -15.651 2.148 3.563 488 HD1 TYR 65 2HD TYR 65 -14.758 0.653 1.757 489 HD2 TYR 65 1HD TYR 65 -17.122 -0.831 4.967 490 HE1 TYR 65 2HE TYR 65 -15.222 -1.388 0.464 491 HE2 TYR 65 1HE TYR 65 -17.593 -2.875 3.685 492 HH TYR 65 HH TYR 65 -17.513 -3.795 1.590 493 H ASN 66 H ASN 66 -13.286 2.732 3.113 494 HA ASN 66 HA ASN 66 -12.119 0.839 1.441 495 HB2 ASN 66 1HB ASN 66 -11.527 3.761 1.892 496 HB3 ASN 66 2HB ASN 66 -10.669 2.812 0.681 497 HD21 ASN 66 1HD2 ASN 66 -12.467 5.099 0.381 498 HD22 ASN 66 2HD2 ASN 66 -13.732 4.571 -0.671 499 H LEU 67 H LEU 67 -10.765 2.576 4.202 500 HA LEU 67 HA LEU 67 -8.109 1.640 3.882 501 HB2 LEU 67 1HB LEU 67 -9.645 2.827 6.164 502 HB3 LEU 67 2HB LEU 67 -8.003 2.231 6.392 503 HG LEU 67 HG LEU 67 -8.677 4.305 4.322 504 HD11 LEU 67 1HD1 LEU 67 -7.884 5.974 5.970 505 HD12 LEU 67 2HD1 LEU 67 -7.921 4.721 7.210 506 HD13 LEU 67 3HD1 LEU 67 -9.414 5.221 6.417 507 HD21 LEU 67 1HD2 LEU 67 -6.526 3.030 4.199 508 HD22 LEU 67 2HD2 LEU 67 -6.097 3.719 5.765 509 HD23 LEU 67 3HD2 LEU 67 -6.341 4.775 4.372 510 H GLN 68 H GLN 68 -10.367 0.798 6.509 511 HA GLN 68 HA GLN 68 -9.095 -1.392 7.508 512 HB2 GLN 68 1HB GLN 68 -11.248 -2.174 8.325 513 HB3 GLN 68 2HB GLN 68 -11.145 -0.423 8.469 514 HG2 GLN 68 1HG GLN 68 -12.375 -0.359 6.225 515 HG3 GLN 68 2HG GLN 68 -12.746 -2.055 6.536 516 HE21 GLN 68 1HE2 GLN 68 -14.966 -1.421 6.548 517 HE22 GLN 68 2HE2 GLN 68 -15.660 -0.710 7.962 518 H ASN 69 H ASN 69 -11.221 -1.291 4.687 519 HA ASN 69 HA ASN 69 -11.494 -3.989 4.166 520 HB2 ASN 69 1HB ASN 69 -12.674 -2.254 2.898 521 HB3 ASN 69 2HB ASN 69 -11.156 -1.748 2.160 522 HD21 ASN 69 1HD2 ASN 69 -10.164 -3.091 0.635 523 HD22 ASN 69 2HD2 ASN 69 -11.045 -4.331 -0.186 524 H ALA 70 H ALA 70 -8.896 -1.814 3.085 525 HA ALA 70 HA ALA 70 -7.428 -3.810 1.712 526 HB1 ALA 70 1HB ALA 70 -5.752 -2.197 1.429 527 HB2 ALA 70 2HB ALA 70 -7.255 -1.275 1.470 528 HB3 ALA 70 3HB ALA 70 -6.214 -1.332 2.893 529 H PHE 71 H PHE 71 -6.959 -2.317 4.913 530 HA PHE 71 HA PHE 71 -4.724 -3.744 5.711 531 HB2 PHE 71 1HB PHE 71 -7.033 -2.729 7.380 532 HB3 PHE 71 2HB PHE 71 -5.508 -3.305 8.046 533 HD1 PHE 71 2HD PHE 71 -3.593 -2.144 6.115 534 HD2 PHE 71 1HD PHE 71 -7.060 -0.474 7.935 535 HE1 PHE 71 2HE PHE 71 -2.634 0.108 5.868 536 HE2 PHE 71 1HE PHE 71 -6.107 1.781 7.689 537 HZ PHE 71 HZ PHE 71 -3.891 2.074 6.656 538 H ASN 72 H ASN 72 -8.126 -4.653 5.842 539 HA ASN 72 HA ASN 72 -7.686 -7.065 7.311 540 HB2 ASN 72 1HB ASN 72 -10.042 -6.181 5.630 541 HB3 ASN 72 2HB ASN 72 -10.032 -7.588 6.689 542 HD21 ASN 72 1HD2 ASN 72 -11.365 -4.784 6.559 543 HD22 ASN 72 2HD2 ASN 72 -11.272 -4.247 8.198 544 H LEU 73 H LEU 73 -8.337 -6.348 3.888 545 HA LEU 73 HA LEU 73 -8.303 -8.960 2.925 546 HB2 LEU 73 1HB LEU 73 -7.803 -6.279 1.749 547 HB3 LEU 73 2HB LEU 73 -7.334 -7.691 0.806 548 HG LEU 73 HG LEU 73 -10.115 -7.120 1.828 549 HD11 LEU 73 1HD1 LEU 73 -8.862 -6.782 -0.887 550 HD12 LEU 73 2HD1 LEU 73 -9.600 -5.541 0.122 551 HD13 LEU 73 3HD1 LEU 73 -10.603 -6.797 -0.604 552 HD21 LEU 73 1HD2 LEU 73 -9.793 -9.476 1.661 553 HD22 LEU 73 2HD2 LEU 73 -8.988 -9.315 0.099 554 HD23 LEU 73 3HD2 LEU 73 -10.711 -8.963 0.244 555 H ALA 74 H ALA 74 -5.627 -6.645 3.250 556 HA ALA 74 HA ALA 74 -3.650 -8.435 2.250 557 HB1 ALA 74 1HB ALA 74 -2.189 -6.661 3.646 558 HB2 ALA 74 2HB ALA 74 -2.835 -6.341 2.035 559 HB3 ALA 74 3HB ALA 74 -3.686 -5.746 3.461 560 H GLU 75 H GLU 75 -4.804 -7.583 5.474 561 HA GLU 75 HA GLU 75 -2.803 -9.030 6.886 562 HB2 GLU 75 1HB GLU 75 -4.073 -7.220 7.937 563 HB3 GLU 75 2HB GLU 75 -5.556 -8.149 7.769 564 HG2 GLU 75 1HG GLU 75 -3.294 -9.377 9.246 565 HG3 GLU 75 2HG GLU 75 -4.202 -8.083 10.026 566 H LYS 76 H LYS 76 -5.538 -9.987 5.127 567 HA LYS 76 HA LYS 76 -5.662 -12.574 6.522 568 HB2 LYS 76 1HB LYS 76 -7.739 -11.006 5.994 569 HB3 LYS 76 2HB LYS 76 -7.651 -11.814 4.434 570 HG2 LYS 76 1HG LYS 76 -7.579 -13.525 6.848 571 HG3 LYS 76 2HG LYS 76 -9.109 -12.739 6.450 572 HD2 LYS 76 1HD LYS 76 -9.357 -14.645 5.226 573 HD3 LYS 76 2HD LYS 76 -8.512 -13.658 4.032 574 HE2 LYS 76 1HE LYS 76 -6.520 -14.788 4.311 575 HE3 LYS 76 2HE LYS 76 -6.931 -15.321 5.940 576 HZ1 LYS 76 1HZ LYS 76 -7.839 -17.177 5.157 577 HZ2 LYS 76 2HZ LYS 76 -7.119 -16.815 3.670 578 HZ3 LYS 76 3HZ LYS 76 -8.721 -16.362 3.966 579 H GLU 77 H GLU 77 -6.161 -11.448 3.173 580 HA GLU 77 HA GLU 77 -5.525 -13.854 1.934 581 HB2 GLU 77 1HB GLU 77 -5.077 -11.077 0.824 582 HB3 GLU 77 2HB GLU 77 -5.229 -12.560 -0.110 583 HG2 GLU 77 1HG GLU 77 -7.385 -11.345 1.605 584 HG3 GLU 77 2HG GLU 77 -7.275 -11.226 -0.151 585 H LEU 78 H LEU 78 -3.408 -10.982 1.991 586 HA LEU 78 HA LEU 78 -1.098 -12.432 1.236 587 HB2 LEU 78 1HB LEU 78 -1.095 -9.808 2.699 588 HB3 LEU 78 2HB LEU 78 0.102 -10.423 1.562 589 HG LEU 78 HG LEU 78 -2.708 -9.725 0.740 590 HD11 LEU 78 1HD1 LEU 78 -1.294 -7.823 1.794 591 HD12 LEU 78 2HD1 LEU 78 -2.098 -7.552 0.249 592 HD13 LEU 78 3HD1 LEU 78 -0.373 -7.914 0.293 593 HD21 LEU 78 1HD2 LEU 78 -1.211 -9.351 -1.426 594 HD22 LEU 78 2HD2 LEU 78 -1.886 -10.925 -1.006 595 HD23 LEU 78 3HD2 LEU 78 -0.206 -10.553 -0.617 596 H GLY 79 H GLY 79 -2.319 -11.303 4.366 597 HA2 GLY 79 1HA GLY 79 -1.982 -12.384 6.420 598 HA3 GLY 79 2HA GLY 79 -0.698 -13.333 5.685 599 H LEU 80 H LEU 80 -1.198 -9.819 5.928 600 HA LEU 80 HA LEU 80 1.528 -9.589 6.981 601 HB2 LEU 80 1HB LEU 80 -0.340 -7.618 5.691 602 HB3 LEU 80 2HB LEU 80 1.152 -7.127 6.489 603 HG LEU 80 HG LEU 80 1.166 -9.121 4.246 604 HD11 LEU 80 1HD1 LEU 80 1.962 -6.727 3.147 605 HD12 LEU 80 2HD1 LEU 80 0.549 -6.284 4.103 606 HD13 LEU 80 3HD1 LEU 80 0.420 -7.537 2.869 607 HD21 LEU 80 1HD2 LEU 80 3.147 -7.516 5.759 608 HD22 LEU 80 2HD2 LEU 80 3.447 -7.768 4.039 609 HD23 LEU 80 3HD2 LEU 80 3.266 -9.154 5.115 610 H THR 81 H THR 81 1.994 -8.459 8.863 611 HA THR 81 HA THR 81 -0.060 -8.525 10.868 612 HB THR 81 HB THR 81 2.780 -7.503 11.055 613 HG1 THR 81 1HG THR 81 1.588 -10.038 11.372 614 HG21 THR 81 1HG2 THR 81 0.606 -7.287 12.869 615 HG22 THR 81 2HG2 THR 81 2.294 -6.841 13.124 616 HG23 THR 81 3HG2 THR 81 1.741 -8.467 13.524 617 H LYS 82 H LYS 82 -1.580 -6.981 10.769 618 HA LYS 82 HA LYS 82 -1.363 -4.434 9.715 619 HB2 LYS 82 1HB LYS 82 -3.200 -5.744 11.655 620 HB3 LYS 82 2HB LYS 82 -3.253 -3.989 11.555 621 HG2 LYS 82 1HG LYS 82 -4.059 -3.997 9.406 622 HG3 LYS 82 2HG LYS 82 -3.386 -5.588 9.045 623 HD2 LYS 82 1HD LYS 82 -5.632 -6.073 9.226 624 HD3 LYS 82 2HD LYS 82 -5.074 -6.396 10.869 625 HE2 LYS 82 1HE LYS 82 -5.786 -4.130 11.528 626 HE3 LYS 82 2HE LYS 82 -6.393 -3.863 9.894 627 HZ1 LYS 82 1HZ LYS 82 -7.570 -5.334 12.071 628 HZ2 LYS 82 2HZ LYS 82 -7.592 -6.175 10.605 629 HZ3 LYS 82 3HZ LYS 82 -8.302 -4.643 10.711 630 H LEU 83 H LEU 83 0.059 -2.920 10.262 631 HA LEU 83 HA LEU 83 0.916 -2.666 13.044 632 HB2 LEU 83 1HB LEU 83 1.973 -1.062 10.745 633 HB3 LEU 83 2HB LEU 83 2.763 -1.460 12.269 634 HG LEU 83 HG LEU 83 2.143 -3.521 10.164 635 HD11 LEU 83 1HD1 LEU 83 4.072 -1.422 10.052 636 HD12 LEU 83 2HD1 LEU 83 3.780 -2.726 8.902 637 HD13 LEU 83 3HD1 LEU 83 4.903 -2.966 10.240 638 HD21 LEU 83 1HD2 LEU 83 3.368 -3.513 12.813 639 HD22 LEU 83 2HD2 LEU 83 4.357 -4.294 11.580 640 HD23 LEU 83 3HD2 LEU 83 2.709 -4.850 11.871 641 H LEU 84 H LEU 84 -0.856 -0.964 10.562 642 HA LEU 84 HA LEU 84 -1.282 1.280 12.421 643 HB2 LEU 84 1HB LEU 84 -1.725 1.211 9.440 644 HB3 LEU 84 2HB LEU 84 -1.882 2.616 10.492 645 HG LEU 84 HG LEU 84 0.730 1.172 10.135 646 HD11 LEU 84 1HD1 LEU 84 -0.291 3.519 8.544 647 HD12 LEU 84 2HD1 LEU 84 -0.067 1.882 7.931 648 HD13 LEU 84 3HD1 LEU 84 1.327 2.824 8.459 649 HD21 LEU 84 1HD2 LEU 84 -0.152 3.801 11.268 650 HD22 LEU 84 2HD2 LEU 84 1.502 3.564 10.702 651 HD23 LEU 84 3HD2 LEU 84 0.861 2.555 12.000 652 H ASP 85 H ASP 85 -3.532 2.399 11.606 653 HA ASP 85 HA ASP 85 -5.580 0.305 11.451 654 HB2 ASP 85 1HB ASP 85 -5.492 2.522 13.505 655 HB3 ASP 85 2HB ASP 85 -6.900 1.507 13.204 656 HA PRO 86 HA PRO 86 -7.558 2.960 8.571 657 HB2 PRO 86 1HB PRO 86 -10.167 2.332 8.984 658 HB3 PRO 86 2HB PRO 86 -9.032 1.242 8.182 659 HG2 PRO 86 1HG PRO 86 -9.979 1.236 11.022 660 HG3 PRO 86 2HG PRO 86 -9.759 -0.131 9.913 661 HD2 PRO 86 1HD PRO 86 -7.949 0.500 11.825 662 HD3 PRO 86 2HD PRO 86 -7.483 -0.215 10.268 663 H GLU 87 H GLU 87 -7.701 3.489 11.836 664 HA GLU 87 HA GLU 87 -9.414 5.867 11.530 665 HB2 GLU 87 1HB GLU 87 -8.748 4.257 13.999 666 HB3 GLU 87 2HB GLU 87 -9.629 5.778 14.023 667 HG2 GLU 87 1HG GLU 87 -11.395 4.791 12.670 668 HG3 GLU 87 2HG GLU 87 -10.509 3.269 12.612 669 H ASP 88 H ASP 88 -6.415 4.658 12.974 670 HA ASP 88 HA ASP 88 -5.512 7.158 13.941 671 HB2 ASP 88 1HB ASP 88 -4.256 4.495 13.439 672 HB3 ASP 88 2HB ASP 88 -3.204 5.881 13.711 673 H VAL 89 H VAL 89 -4.901 5.387 10.932 674 HA VAL 89 HA VAL 89 -3.034 7.209 9.854 675 HB VAL 89 HB VAL 89 -4.892 5.296 8.433 676 HG11 VAL 89 1HG1 VAL 89 -2.544 6.897 7.437 677 HG12 VAL 89 2HG1 VAL 89 -3.195 5.495 6.585 678 HG13 VAL 89 3HG1 VAL 89 -4.203 6.920 6.840 679 HG21 VAL 89 1HG2 VAL 89 -2.096 5.055 9.503 680 HG22 VAL 89 2HG2 VAL 89 -3.488 4.016 9.809 681 HG23 VAL 89 3HG2 VAL 89 -2.702 3.993 8.231 682 H ASN 90 H ASN 90 -6.543 6.873 9.383 683 HA ASN 90 HA ASN 90 -6.844 8.975 7.551 684 HB2 ASN 90 1HB ASN 90 -8.598 7.323 7.892 685 HB3 ASN 90 2HB ASN 90 -8.818 7.860 9.555 686 HD21 ASN 90 1HD2 ASN 90 -11.032 7.851 8.254 687 HD22 ASN 90 2HD2 ASN 90 -11.514 9.419 7.712 688 H VAL 91 H VAL 91 -5.614 10.739 8.257 689 HA VAL 91 HA VAL 91 -7.005 12.478 10.108 690 HB VAL 91 HB VAL 91 -5.448 11.164 11.554 691 HG11 VAL 91 1HG1 VAL 91 -2.990 12.207 11.222 692 HG12 VAL 91 2HG1 VAL 91 -3.502 10.671 10.520 693 HG13 VAL 91 3HG1 VAL 91 -3.524 12.141 9.544 694 HG21 VAL 91 1HG2 VAL 91 -4.909 14.119 11.281 695 HG22 VAL 91 2HG2 VAL 91 -6.172 13.361 12.251 696 HG23 VAL 91 3HG2 VAL 91 -4.476 13.140 12.684 697 H ASP 92 H ASP 92 -6.226 14.681 10.037 698 HA ASP 92 HA ASP 92 -5.817 15.706 7.537 699 HB2 ASP 92 1HB ASP 92 -6.255 16.851 9.886 700 HB3 ASP 92 2HB ASP 92 -4.516 17.126 9.818 701 H GLN 93 H GLN 93 -3.267 15.199 9.979 702 HA GLN 93 HA GLN 93 -1.352 14.842 7.783 703 HB2 GLN 93 1HB GLN 93 0.335 16.085 9.214 704 HB3 GLN 93 2HB GLN 93 -0.912 17.067 8.458 705 HG2 GLN 93 1HG GLN 93 -2.162 17.062 10.580 706 HG3 GLN 93 2HG GLN 93 -0.847 16.154 11.324 707 HE21 GLN 93 1HE2 GLN 93 -1.844 18.721 12.106 708 HE22 GLN 93 2HE2 GLN 93 -0.539 19.843 11.947 709 HA PRO 94 HA PRO 94 -1.037 11.301 10.674 710 HB2 PRO 94 1HB PRO 94 -0.402 9.511 8.733 711 HB3 PRO 94 2HB PRO 94 -2.067 9.963 9.115 712 HG2 PRO 94 1HG PRO 94 -0.295 10.943 6.910 713 HG3 PRO 94 2HG PRO 94 -2.011 10.495 6.852 714 HD2 PRO 94 1HD PRO 94 -1.181 13.070 6.979 715 HD3 PRO 94 2HD PRO 94 -2.698 12.519 7.718 716 H ASP 95 H ASP 95 0.810 9.589 10.723 717 HA ASP 95 HA ASP 95 3.309 11.076 10.640 718 HB2 ASP 95 1HB ASP 95 2.514 8.440 11.870 719 HB3 ASP 95 2HB ASP 95 4.182 9.000 11.836 720 H GLU 96 H GLU 96 3.814 11.123 8.450 721 HA GLU 96 HA GLU 96 3.688 9.181 6.558 722 HB2 GLU 96 1HB GLU 96 5.339 10.330 5.348 723 HB3 GLU 96 2HB GLU 96 4.606 11.564 6.363 724 HG2 GLU 96 1HG GLU 96 6.553 10.919 7.998 725 HG3 GLU 96 2HG GLU 96 7.310 10.341 6.515 726 H LYS 97 H LYS 97 6.085 9.461 9.121 727 HA LYS 97 HA LYS 97 7.825 7.432 8.221 728 HB2 LYS 97 1HB LYS 97 7.306 8.375 11.046 729 HB3 LYS 97 2HB LYS 97 8.689 7.423 10.523 730 HG2 LYS 97 1HG LYS 97 8.178 10.018 9.171 731 HG3 LYS 97 2HG LYS 97 8.838 10.034 10.809 732 HD2 LYS 97 1HD LYS 97 10.787 9.955 9.625 733 HD3 LYS 97 2HD LYS 97 10.471 8.223 9.767 734 HE2 LYS 97 1HE LYS 97 9.633 8.098 7.563 735 HE3 LYS 97 2HE LYS 97 9.512 9.852 7.429 736 HZ1 LYS 97 1HZ LYS 97 11.448 8.746 6.268 737 HZ2 LYS 97 2HZ LYS 97 12.108 8.483 7.803 738 HZ3 LYS 97 3HZ LYS 97 11.823 10.061 7.263 739 H SER 98 H SER 98 4.925 7.377 10.210 740 HA SER 98 HA SER 98 5.196 4.615 10.936 741 HB2 SER 98 1HB SER 98 2.949 6.613 11.185 742 HB3 SER 98 2HB SER 98 2.768 4.929 11.675 743 HG SER 98 HG SER 98 3.712 6.837 13.133 744 H ILE 99 H ILE 99 4.229 6.222 8.139 745 HA ILE 99 HA ILE 99 2.493 4.030 7.259 746 HB ILE 99 HB ILE 99 3.063 6.690 5.948 747 HG12 ILE 99 1HG1 ILE 99 0.562 5.702 7.333 748 HG13 ILE 99 2HG1 ILE 99 1.737 6.797 8.055 749 HG21 ILE 99 1HG2 ILE 99 1.628 6.133 4.232 750 HG22 ILE 99 2HG2 ILE 99 2.443 4.598 4.525 751 HG23 ILE 99 3HG2 ILE 99 0.825 4.874 5.169 752 HD11 ILE 99 1HD1 ILE 99 0.028 8.181 7.302 753 HD12 ILE 99 2HD1 ILE 99 1.271 8.315 6.057 754 HD13 ILE 99 3HD1 ILE 99 -0.143 7.299 5.784 755 H ILE 100 H ILE 100 5.508 5.675 6.479 756 HA ILE 100 HA ILE 100 6.063 4.335 4.067 757 HB ILE 100 HB ILE 100 7.971 5.524 6.083 758 HG12 ILE 100 1HG1 ILE 100 7.331 6.760 3.443 759 HG13 ILE 100 2HG1 ILE 100 6.141 6.896 4.733 760 HG21 ILE 100 1HG2 ILE 100 8.561 4.926 3.198 761 HG22 ILE 100 2HG2 ILE 100 9.687 5.391 4.471 762 HG23 ILE 100 3HG2 ILE 100 8.936 3.796 4.500 763 HD11 ILE 100 1HD1 ILE 100 8.186 8.624 4.306 764 HD12 ILE 100 2HD1 ILE 100 7.352 8.407 5.844 765 HD13 ILE 100 3HD1 ILE 100 8.870 7.565 5.538 766 H THR 101 H THR 101 6.547 3.454 7.416 767 HA THR 101 HA THR 101 8.309 1.268 6.915 768 HB THR 101 HB THR 101 6.537 1.662 9.330 769 HG1 THR 101 1HG THR 101 9.219 2.552 8.979 770 HG21 THR 101 1HG2 THR 101 8.564 0.484 10.399 771 HG22 THR 101 2HG2 THR 101 8.973 0.006 8.751 772 HG23 THR 101 3HG2 THR 101 7.437 -0.492 9.459 773 H TYR 102 H TYR 102 4.817 1.579 7.380 774 HA TYR 102 HA TYR 102 4.285 -1.213 7.334 775 HB2 TYR 102 1HB TYR 102 2.701 0.326 8.343 776 HB3 TYR 102 2HB TYR 102 2.478 1.155 6.808 777 HD1 TYR 102 2HD TYR 102 1.388 -0.093 4.904 778 HD2 TYR 102 1HD TYR 102 1.429 -1.585 8.888 779 HE1 TYR 102 2HE TYR 102 -0.470 -1.608 4.350 780 HE2 TYR 102 1HE TYR 102 -0.427 -3.104 8.346 781 HH TYR 102 HH TYR 102 -2.078 -3.520 6.809 782 H VAL 103 H VAL 103 3.559 1.300 4.904 783 HA VAL 103 HA VAL 103 2.755 -0.302 2.830 784 HB VAL 103 HB VAL 103 2.706 2.164 2.765 785 HG11 VAL 103 1HG1 VAL 103 5.239 2.741 1.661 786 HG12 VAL 103 2HG1 VAL 103 4.550 3.331 3.175 787 HG13 VAL 103 3HG1 VAL 103 5.518 1.856 3.160 788 HG21 VAL 103 1HG2 VAL 103 3.926 2.140 0.313 789 HG22 VAL 103 2HG2 VAL 103 3.580 0.432 0.581 790 HG23 VAL 103 3HG2 VAL 103 2.274 1.616 0.637 791 H ALA 104 H ALA 104 5.977 0.177 4.045 792 HA ALA 104 HA ALA 104 7.514 -0.639 1.878 793 HB1 ALA 104 1HB ALA 104 9.272 -0.790 3.338 794 HB2 ALA 104 2HB ALA 104 8.165 0.211 4.277 795 HB3 ALA 104 3HB ALA 104 8.294 -1.515 4.614 796 H THR 105 H THR 105 5.812 -2.564 4.297 797 HA THR 105 HA THR 105 6.860 -5.076 3.660 798 HB THR 105 HB THR 105 4.902 -6.035 4.725 799 HG1 THR 105 1HG THR 105 3.823 -3.446 4.309 800 HG21 THR 105 1HG2 THR 105 4.852 -4.127 6.699 801 HG22 THR 105 2HG2 THR 105 6.390 -3.810 5.897 802 HG23 THR 105 3HG2 THR 105 6.050 -5.412 6.550 803 H TYR 106 H TYR 106 4.109 -3.315 2.297 804 HA TYR 106 HA TYR 106 3.042 -5.302 0.682 805 HB2 TYR 106 1HB TYR 106 3.156 -2.310 0.406 806 HB3 TYR 106 2HB TYR 106 2.382 -3.303 -0.823 807 HD1 TYR 106 1HD TYR 106 2.352 -3.873 2.845 808 HD2 TYR 106 2HD TYR 106 0.129 -2.673 -0.580 809 HE1 TYR 106 1HE TYR 106 0.287 -3.909 4.180 810 HE2 TYR 106 2HE TYR 106 -1.942 -2.706 0.747 811 HH TYR 106 HH TYR 106 -2.267 -4.220 3.610 812 H TYR 107 H TYR 107 5.831 -3.234 0.164 813 HA TYR 107 HA TYR 107 6.203 -4.028 -2.571 814 HB2 TYR 107 1HB TYR 107 7.089 -1.919 -2.151 815 HB3 TYR 107 2HB TYR 107 7.765 -2.398 -0.598 816 HD1 TYR 107 2HD TYR 107 8.139 -3.271 -4.218 817 HD2 TYR 107 1HD TYR 107 10.054 -2.617 -0.475 818 HE1 TYR 107 2HE TYR 107 10.328 -3.616 -5.284 819 HE2 TYR 107 1HE TYR 107 12.249 -2.959 -1.531 820 HH TYR 107 HH TYR 107 13.342 -3.243 -3.456 821 H HIS 108 H HIS 108 8.142 -4.564 0.379 822 HA HIS 108 HA HIS 108 9.929 -6.404 -0.648 823 HB2 HIS 108 1HB HIS 108 8.825 -5.936 2.099 824 HB3 HIS 108 2HB HIS 108 9.886 -7.312 1.811 825 HD1 HIS 108 1HD HIS 108 12.366 -6.802 1.263 826 HD2 HIS 108 2HD HIS 108 10.067 -3.436 2.061 827 HE1 HIS 108 1HE HIS 108 14.011 -4.929 1.598 828 HE2 HIS 108 2HE HIS 108 12.599 -2.921 2.163 829 H TYR 109 H TYR 109 7.023 -7.228 1.256 830 HA TYR 109 HA TYR 109 6.971 -9.906 1.101 831 HB2 TYR 109 1HB TYR 109 5.174 -8.815 2.205 832 HB3 TYR 109 2HB TYR 109 4.681 -7.977 0.738 833 HD1 TYR 109 1HD TYR 109 3.436 -9.155 -1.009 834 HD2 TYR 109 2HD TYR 109 4.527 -11.107 2.612 835 HE1 TYR 109 1HE TYR 109 1.826 -10.949 -1.498 836 HE2 TYR 109 2HE TYR 109 2.922 -12.907 2.131 837 HH TYR 109 HH TYR 109 1.047 -12.943 -0.879 838 H PHE 110 H PHE 110 5.256 -7.983 -1.367 839 HA PHE 110 HA PHE 110 4.877 -10.062 -3.174 840 HB2 PHE 110 1HB PHE 110 4.848 -7.094 -3.343 841 HB3 PHE 110 2HB PHE 110 4.937 -7.982 -4.860 842 HD1 PHE 110 2HD PHE 110 3.191 -9.918 -5.120 843 HD2 PHE 110 1HD PHE 110 2.785 -6.640 -2.436 844 HE1 PHE 110 2HE PHE 110 0.758 -10.277 -5.054 845 HE2 PHE 110 1HE PHE 110 0.351 -6.994 -2.364 846 HZ PHE 110 HZ PHE 110 -0.666 -8.815 -3.675 847 H SER 111 H SER 111 7.561 -7.790 -2.857 848 HA SER 111 HA SER 111 8.971 -8.265 -5.161 849 HB2 SER 111 1HB SER 111 9.542 -6.690 -3.218 850 HB3 SER 111 2HB SER 111 10.346 -8.077 -2.482 851 HG SER 111 HG SER 111 11.197 -6.463 -4.476 852 H LYS 112 H LYS 112 9.277 -10.086 -2.112 853 HA LYS 112 HA LYS 112 11.166 -11.918 -2.685 854 HB2 LYS 112 1HB LYS 112 8.497 -12.574 -1.425 855 HB3 LYS 112 2HB LYS 112 9.971 -13.518 -1.262 856 HG2 LYS 112 1HG LYS 112 10.055 -10.661 -0.466 857 HG3 LYS 112 2HG LYS 112 9.205 -11.798 0.583 858 HD2 LYS 112 1HD LYS 112 11.302 -11.971 1.468 859 HD3 LYS 112 2HD LYS 112 11.413 -13.215 0.220 860 HE2 LYS 112 1HE LYS 112 12.598 -11.770 -1.238 861 HE3 LYS 112 2HE LYS 112 12.238 -10.358 -0.245 862 HZ1 LYS 112 1HZ LYS 112 14.186 -10.709 0.726 863 HZ2 LYS 112 2HZ LYS 112 14.386 -12.213 -0.025 864 HZ3 LYS 112 3HZ LYS 112 13.533 -12.100 1.432 865 H MET 113 H MET 113 7.785 -12.114 -3.759 866 HA MET 113 HA MET 113 7.788 -14.563 -5.001 867 HB2 MET 113 1HB MET 113 6.436 -12.011 -5.891 868 HB3 MET 113 2HB MET 113 6.068 -13.603 -6.542 869 HG2 MET 113 1HG MET 113 5.879 -13.046 -3.608 870 HG3 MET 113 2HG MET 113 4.561 -12.645 -4.706 871 HE1 MET 113 1HE MET 113 5.098 -16.491 -2.637 872 HE2 MET 113 2HE MET 113 6.385 -15.287 -2.695 873 HE3 MET 113 3HE MET 113 4.786 -14.842 -2.096 874 H LYS 114 H LYS 114 9.329 -15.327 -6.298 875 HA LYS 114 HA LYS 114 10.757 -15.554 -8.054 876 HB2 LYS 114 1HB LYS 114 8.572 -14.891 -9.239 877 HB3 LYS 114 2HB LYS 114 9.298 -13.299 -9.414 878 HG2 LYS 114 1HG LYS 114 11.089 -14.190 -10.726 879 HG3 LYS 114 2HG LYS 114 10.554 -15.843 -10.417 880 HD2 LYS 114 1HD LYS 114 8.681 -15.621 -11.788 881 HD3 LYS 114 2HD LYS 114 8.734 -13.858 -11.734 882 HE2 LYS 114 1HE LYS 114 10.462 -13.735 -13.269 883 HE3 LYS 114 2HE LYS 114 11.004 -15.381 -12.944 884 HZ1 LYS 114 1HZ LYS 114 8.892 -14.436 -14.717 885 HZ2 LYS 114 2HZ LYS 114 8.606 -15.892 -13.906 886 HZ3 LYS 114 3HZ LYS 114 9.963 -15.733 -14.904 887 H ALA 115 H ALA 115 11.439 -13.741 -5.918 888 HA ALA 115 HA ALA 115 12.422 -11.305 -6.379 889 HB1 ALA 115 1HB ALA 115 13.064 -13.384 -4.605 890 HB2 ALA 115 2HB ALA 115 14.594 -12.794 -5.253 891 HB3 ALA 115 3HB ALA 115 13.481 -11.676 -4.466 892 H LEU 116 H LEU 116 13.924 -10.288 -7.593 893 HA LEU 116 HA LEU 116 15.515 -11.953 -9.430 894 HB2 LEU 116 1HB LEU 116 15.522 -9.594 -10.674 895 HB3 LEU 116 2HB LEU 116 14.276 -10.813 -10.930 896 HG LEU 116 HG LEU 116 13.425 -8.480 -10.680 897 HD11 LEU 116 1HD1 LEU 116 11.596 -9.639 -10.195 898 HD12 LEU 116 2HD1 LEU 116 11.996 -9.431 -8.491 899 HD13 LEU 116 3HD1 LEU 116 12.527 -10.877 -9.351 900 HD21 LEU 116 1HD2 LEU 116 14.890 -8.744 -8.134 901 HD22 LEU 116 2HD2 LEU 116 13.298 -7.990 -8.037 902 HD23 LEU 116 3HD2 LEU 116 14.533 -7.311 -9.099 903 H ALA 117 H ALA 117 17.353 -10.340 -10.390 904 HA ALA 117 HA ALA 117 18.969 -9.678 -8.049 905 HB1 ALA 117 1HB ALA 117 19.508 -10.762 -10.645 906 HB2 ALA 117 2HB ALA 117 20.482 -9.314 -10.388 907 HB3 ALA 117 3HB ALA 117 20.569 -10.650 -9.240 908 H VAL 118 H VAL 118 20.058 -7.693 -7.823 909 HA VAL 118 HA VAL 118 18.663 -5.453 -9.088 910 HB VAL 118 HB VAL 118 20.537 -5.474 -6.718 911 HG11 VAL 118 1HG1 VAL 118 20.667 -3.271 -6.968 912 HG12 VAL 118 2HG1 VAL 118 19.602 -3.336 -8.373 913 HG13 VAL 118 3HG1 VAL 118 18.920 -3.168 -6.755 914 HG21 VAL 118 1HG2 VAL 118 18.158 -6.556 -6.616 915 HG22 VAL 118 2HG2 VAL 118 18.708 -5.497 -5.318 916 HG23 VAL 118 3HG2 VAL 118 17.616 -4.879 -6.557 917 H GLU 119 H GLU 119 19.574 -4.313 -10.661 918 HA GLU 119 HA GLU 119 22.508 -4.382 -10.928 919 HB2 GLU 119 1HB GLU 119 22.209 -4.253 -13.368 920 HB3 GLU 119 2HB GLU 119 21.493 -5.711 -12.695 921 HG2 GLU 119 1HG GLU 119 19.292 -4.787 -12.872 922 HG3 GLU 119 2HG GLU 119 19.941 -3.220 -13.353 923 H GLY 120 H GLY 120 23.463 -2.505 -11.980 924 HA2 GLY 120 1HA GLY 120 21.814 -0.076 -11.631 925 HA3 GLY 120 2HA GLY 120 23.493 -0.159 -11.119 926 H LYS 121 H LYS 121 24.129 1.558 -12.424 927 HA LYS 121 HA LYS 121 24.783 0.832 -15.123 928 HB2 LYS 121 1HB LYS 121 22.359 1.791 -15.100 929 HB3 LYS 121 2HB LYS 121 23.156 3.342 -14.873 930 HG2 LYS 121 1HG LYS 121 24.477 2.871 -16.944 931 HG3 LYS 121 2HG LYS 121 23.453 1.456 -17.196 932 HD2 LYS 121 1HD LYS 121 22.516 3.197 -18.500 933 HD3 LYS 121 2HD LYS 121 21.474 3.022 -17.086 934 HE2 LYS 121 1HE LYS 121 22.592 4.920 -16.027 935 HE3 LYS 121 2HE LYS 121 23.651 5.085 -17.427 936 HZ1 LYS 121 1HZ LYS 121 21.653 6.605 -17.320 937 HZ2 LYS 121 2HZ LYS 121 20.705 5.246 -17.658 938 HZ3 LYS 121 3HZ LYS 121 21.873 5.761 -18.769 939 H SER 122 H SER 122 26.785 1.538 -15.404 940 HA SER 122 HA SER 122 27.919 3.527 -13.669 941 HB2 SER 122 1HB SER 122 29.163 1.506 -14.498 942 HB3 SER 122 2HB SER 122 29.184 2.245 -16.100 943 HG SER 122 HG SER 122 31.087 2.767 -15.055 944 H GLY 123 H GLY 123 29.323 5.294 -14.663 945 HA2 GLY 123 1HA GLY 123 29.071 6.426 -17.121 946 HA3 GLY 123 2HA GLY 123 27.610 6.941 -16.292 947 HA PRO 124 HA PRO 124 29.716 10.238 -14.325 948 HB2 PRO 124 1HB PRO 124 28.807 10.163 -11.767 949 HB3 PRO 124 2HB PRO 124 27.801 10.670 -13.129 950 HG2 PRO 124 1HG PRO 124 27.913 8.021 -11.740 951 HG3 PRO 124 2HG PRO 124 26.497 8.939 -12.285 952 HD2 PRO 124 1HD PRO 124 27.502 6.848 -13.682 953 HD3 PRO 124 2HD PRO 124 26.724 8.236 -14.469 954 H SER 125 H SER 125 31.884 9.866 -14.247 955 HA SER 125 HA SER 125 33.044 7.952 -12.440 956 HB2 SER 125 1HB SER 125 34.158 9.940 -14.402 957 HB3 SER 125 2HB SER 125 35.218 9.101 -13.271 958 HG SER 125 HG SER 125 34.774 8.127 -15.452 959 H SER 126 H SER 126 34.035 8.307 -10.518 960 HA SER 126 HA SER 126 33.442 10.771 -9.158 961 HB2 SER 126 1HB SER 126 33.359 8.470 -8.101 962 HB3 SER 126 2HB SER 126 35.123 8.480 -8.127 963 HG SER 126 HG SER 126 35.136 10.169 -6.714 964 H GLY 127 H GLY 127 36.384 9.087 -10.211 965 HA2 GLY 127 1HA GLY 127 37.848 11.272 -10.962 966 HA3 GLY 127 2HA GLY 127 38.133 11.143 -9.233 Start of MODEL 14 1 H1 GLY 1 H GLY 1 24.461 2.937 1.312 2 HA2 GLY 1 1HA GLY 1 24.345 2.096 -1.511 3 HA3 GLY 1 2HA GLY 1 23.287 1.505 -0.240 4 H SER 2 H SER 2 21.817 2.150 -2.173 5 HA SER 2 HA SER 2 21.253 4.785 -2.815 6 HB2 SER 2 1HB SER 2 19.322 2.462 -2.598 7 HB3 SER 2 2HB SER 2 18.993 3.979 -3.434 8 HG SER 2 HG SER 2 21.035 3.400 -4.631 9 H SER 3 H SER 3 21.272 6.206 -1.118 10 HA SER 3 HA SER 3 20.561 7.336 0.728 11 HB2 SER 3 1HB SER 3 18.059 6.264 -0.506 12 HB3 SER 3 2HB SER 3 17.949 7.046 1.071 13 HG SER 3 HG SER 3 19.220 8.792 -0.032 14 H GLY 4 H GLY 4 21.734 4.892 1.328 15 HA2 GLY 4 1HA GLY 4 22.043 3.925 3.468 16 HA3 GLY 4 2HA GLY 4 20.362 4.277 3.842 17 H SER 5 H SER 5 22.562 1.914 2.867 18 HA SER 5 HA SER 5 21.180 0.177 1.263 19 HB2 SER 5 1HB SER 5 22.980 -0.469 3.608 20 HB3 SER 5 2HB SER 5 22.447 -1.655 2.416 21 HG SER 5 HG SER 5 23.678 0.719 1.559 22 H SER 6 H SER 6 19.602 -1.344 1.496 23 HA SER 6 HA SER 6 17.588 -2.093 2.296 24 HB2 SER 6 1HB SER 6 19.287 -3.617 3.331 25 HB3 SER 6 2HB SER 6 19.243 -2.610 4.777 26 HG SER 6 HG SER 6 17.499 -3.613 5.347 27 H GLY 7 H GLY 7 17.755 0.673 2.542 28 HA2 GLY 7 1HA GLY 7 15.717 1.185 4.431 29 HA3 GLY 7 2HA GLY 7 17.258 1.729 5.078 30 H ALA 8 H ALA 8 15.178 2.010 2.213 31 HA ALA 8 HA ALA 8 16.137 4.784 1.921 32 HB1 ALA 8 1HB ALA 8 15.092 3.996 -0.548 33 HB2 ALA 8 2HB ALA 8 16.787 4.249 -0.134 34 HB3 ALA 8 3HB ALA 8 16.077 2.641 0.002 35 H LYS 9 H LYS 9 14.606 6.340 1.207 36 HA LYS 9 HA LYS 9 11.834 5.604 1.861 37 HB2 LYS 9 1HB LYS 9 12.861 7.345 3.281 38 HB3 LYS 9 2HB LYS 9 13.137 8.334 1.853 39 HG2 LYS 9 1HG LYS 9 10.690 8.394 1.480 40 HG3 LYS 9 2HG LYS 9 10.475 7.517 2.996 41 HD2 LYS 9 1HD LYS 9 10.200 9.712 3.669 42 HD3 LYS 9 2HD LYS 9 11.913 9.443 4.000 43 HE2 LYS 9 1HE LYS 9 12.257 10.350 1.594 44 HE3 LYS 9 2HE LYS 9 10.630 11.000 1.788 45 HZ1 LYS 9 1HZ LYS 9 11.299 12.421 3.447 46 HZ2 LYS 9 2HZ LYS 9 12.664 12.427 2.448 47 HZ3 LYS 9 3HZ LYS 9 12.655 11.499 3.863 48 H ASP 10 H ASP 10 13.804 7.440 -0.440 49 HA ASP 10 HA ASP 10 11.678 8.236 -2.119 50 HB2 ASP 10 1HB ASP 10 14.652 8.019 -2.454 51 HB3 ASP 10 2HB ASP 10 13.636 8.367 -3.850 52 H ALA 11 H ALA 11 14.013 5.561 -2.418 53 HA ALA 11 HA ALA 11 13.265 4.418 -4.763 54 HB1 ALA 11 1HB ALA 11 15.038 3.623 -3.154 55 HB2 ALA 11 2HB ALA 11 13.757 2.765 -2.297 56 HB3 ALA 11 3HB ALA 11 14.122 2.359 -3.974 57 H LEU 12 H LEU 12 11.618 4.041 -1.647 58 HA LEU 12 HA LEU 12 9.684 2.185 -2.548 59 HB2 LEU 12 1HB LEU 12 10.315 2.682 -0.164 60 HB3 LEU 12 2HB LEU 12 9.367 4.161 -0.299 61 HG LEU 12 HG LEU 12 7.367 2.739 -0.787 62 HD11 LEU 12 1HD1 LEU 12 7.432 0.389 -0.330 63 HD12 LEU 12 2HD1 LEU 12 9.130 0.478 0.135 64 HD13 LEU 12 3HD1 LEU 12 8.661 0.756 -1.542 65 HD21 LEU 12 1HD2 LEU 12 8.626 2.040 1.852 66 HD22 LEU 12 2HD2 LEU 12 6.918 2.282 1.481 67 HD23 LEU 12 3HD2 LEU 12 8.024 3.657 1.485 68 H LEU 13 H LEU 13 9.403 5.684 -1.904 69 HA LEU 13 HA LEU 13 6.840 6.152 -2.682 70 HB2 LEU 13 1HB LEU 13 8.276 7.895 -1.824 71 HB3 LEU 13 2HB LEU 13 9.270 7.833 -3.278 72 HG LEU 13 HG LEU 13 7.110 8.526 -4.514 73 HD11 LEU 13 1HD1 LEU 13 5.290 8.761 -3.270 74 HD12 LEU 13 2HD1 LEU 13 6.069 10.122 -2.466 75 HD13 LEU 13 3HD1 LEU 13 6.208 8.501 -1.786 76 HD21 LEU 13 1HD2 LEU 13 7.538 10.957 -3.777 77 HD22 LEU 13 2HD2 LEU 13 8.863 10.057 -4.515 78 HD23 LEU 13 3HD2 LEU 13 8.808 10.269 -2.764 79 H LEU 14 H LEU 14 9.641 5.764 -4.806 80 HA LEU 14 HA LEU 14 8.366 6.391 -7.227 81 HB2 LEU 14 1HB LEU 14 10.730 6.311 -7.183 82 HB3 LEU 14 2HB LEU 14 10.734 4.661 -6.565 83 HG LEU 14 HG LEU 14 9.810 3.914 -8.763 84 HD11 LEU 14 1HD1 LEU 14 8.802 5.939 -9.547 85 HD12 LEU 14 2HD1 LEU 14 10.089 5.490 -10.666 86 HD13 LEU 14 3HD1 LEU 14 10.349 6.786 -9.498 87 HD21 LEU 14 1HD2 LEU 14 12.186 5.043 -9.804 88 HD22 LEU 14 2HD2 LEU 14 11.938 3.423 -9.152 89 HD23 LEU 14 3HD2 LEU 14 12.454 4.733 -8.088 90 H TRP 15 H TRP 15 8.785 3.299 -5.543 91 HA TRP 15 HA TRP 15 7.708 1.606 -7.464 92 HB2 TRP 15 1HB TRP 15 8.845 0.921 -5.327 93 HB3 TRP 15 2HB TRP 15 7.351 1.306 -4.477 94 HD1 TRP 15 HD TRP 15 8.430 -0.994 -7.421 95 HE1 TRP 15 1HE TRP 15 7.066 -3.170 -7.258 96 HE3 TRP 15 3HE TRP 15 5.520 0.175 -3.383 97 HZ2 TRP 15 2HZ TRP 15 5.025 -4.248 -5.633 98 HZ3 TRP 15 3HZ TRP 15 3.886 -1.484 -2.588 99 HH2 TRP 15 HH TRP 15 3.644 -3.649 -3.691 100 H CYS 16 H CYS 16 5.971 2.854 -4.603 101 HA CYS 16 HA CYS 16 3.446 2.039 -5.152 102 HB2 CYS 16 1HB CYS 16 3.951 4.857 -4.216 103 HB3 CYS 16 2HB CYS 16 2.640 3.775 -3.764 104 HG CYS 16 HG CYS 16 3.851 3.487 -1.486 105 H GLN 17 H GLN 17 5.077 4.837 -6.565 106 HA GLN 17 HA GLN 17 2.864 5.842 -7.992 107 HB2 GLN 17 1HB GLN 17 5.833 6.161 -8.223 108 HB3 GLN 17 2HB GLN 17 4.792 6.798 -9.490 109 HG2 GLN 17 1HG GLN 17 3.659 8.218 -7.926 110 HG3 GLN 17 2HG GLN 17 4.528 7.492 -6.575 111 HE21 GLN 17 1HE2 GLN 17 4.820 9.977 -6.423 112 HE22 GLN 17 2HE2 GLN 17 6.288 10.582 -7.104 113 H MET 18 H MET 18 5.366 3.496 -8.832 114 HA MET 18 HA MET 18 4.753 3.207 -11.549 115 HB2 MET 18 1HB MET 18 5.840 1.146 -9.622 116 HB3 MET 18 2HB MET 18 5.876 1.014 -11.375 117 HG2 MET 18 1HG MET 18 7.108 3.392 -10.074 118 HG3 MET 18 2HG MET 18 7.962 1.851 -10.043 119 HE1 MET 18 1HE MET 18 10.195 2.614 -12.407 120 HE2 MET 18 2HE MET 18 9.558 1.479 -11.217 121 HE3 MET 18 3HE MET 18 9.424 1.119 -12.939 122 H LYS 19 H LYS 19 3.499 1.507 -8.702 123 HA LYS 19 HA LYS 19 1.785 -0.210 -10.213 124 HB2 LYS 19 1HB LYS 19 1.534 0.488 -7.287 125 HB3 LYS 19 2HB LYS 19 0.935 -0.953 -8.098 126 HG2 LYS 19 1HG LYS 19 3.817 -0.222 -7.623 127 HG3 LYS 19 2HG LYS 19 2.897 -1.497 -6.820 128 HD2 LYS 19 1HD LYS 19 2.528 -2.391 -9.231 129 HD3 LYS 19 2HD LYS 19 3.915 -1.376 -9.633 130 HE2 LYS 19 1HE LYS 19 5.368 -2.623 -8.348 131 HE3 LYS 19 2HE LYS 19 4.085 -3.237 -7.307 132 HZ1 LYS 19 1HZ LYS 19 5.120 -4.312 -9.761 133 HZ2 LYS 19 2HZ LYS 19 3.431 -4.225 -9.742 134 HZ3 LYS 19 3HZ LYS 19 4.246 -5.077 -8.530 135 H THR 20 H THR 20 1.056 2.465 -7.963 136 HA THR 20 HA THR 20 -1.647 2.684 -8.429 137 HB THR 20 HB THR 20 -1.451 5.068 -7.769 138 HG1 THR 20 1HG THR 20 1.328 4.502 -8.014 139 HG21 THR 20 1HG2 THR 20 0.432 3.694 -5.937 140 HG22 THR 20 2HG2 THR 20 -1.127 2.916 -6.213 141 HG23 THR 20 3HG2 THR 20 -1.062 4.562 -5.584 142 H ALA 21 H ALA 21 1.016 3.870 -10.380 143 HA ALA 21 HA ALA 21 0.030 5.729 -12.024 144 HB1 ALA 21 1HB ALA 21 2.040 5.178 -12.846 145 HB2 ALA 21 2HB ALA 21 1.858 3.477 -12.418 146 HB3 ALA 21 3HB ALA 21 1.136 4.094 -13.903 147 H GLY 22 H GLY 22 -1.602 6.016 -13.420 148 HA2 GLY 22 1HA GLY 22 -3.002 5.181 -15.212 149 HA3 GLY 22 2HA GLY 22 -3.039 3.629 -14.388 150 H TYR 23 H TYR 23 -3.748 4.173 -11.874 151 HA TYR 23 HA TYR 23 -6.498 4.530 -11.986 152 HB2 TYR 23 1HB TYR 23 -4.534 4.730 -9.712 153 HB3 TYR 23 2HB TYR 23 -6.262 4.952 -9.460 154 HD1 TYR 23 1HD TYR 23 -7.811 3.078 -9.732 155 HD2 TYR 23 2HD TYR 23 -3.614 2.550 -10.194 156 HE1 TYR 23 1HE TYR 23 -8.104 0.642 -9.553 157 HE2 TYR 23 2HE TYR 23 -3.896 0.113 -10.018 158 HH TYR 23 HH TYR 23 -6.818 -1.330 -8.987 159 HA PRO 24 HA PRO 24 -6.763 8.940 -12.501 160 HB2 PRO 24 1HB PRO 24 -9.471 9.082 -12.362 161 HB3 PRO 24 2HB PRO 24 -8.610 8.517 -13.800 162 HG2 PRO 24 1HG PRO 24 -9.931 6.926 -11.635 163 HG3 PRO 24 2HG PRO 24 -9.969 6.674 -13.389 164 HD2 PRO 24 1HD PRO 24 -8.361 5.243 -11.746 165 HD3 PRO 24 2HD PRO 24 -7.905 5.649 -13.413 166 H ASN 25 H ASN 25 -8.906 7.393 -10.097 167 HA ASN 25 HA ASN 25 -8.852 9.748 -8.424 168 HB2 ASN 25 1HB ASN 25 -10.781 7.973 -8.792 169 HB3 ASN 25 2HB ASN 25 -9.960 7.140 -7.475 170 HD21 ASN 25 1HD2 ASN 25 -11.463 7.422 -5.918 171 HD22 ASN 25 2HD2 ASN 25 -11.925 8.961 -5.286 172 H VAL 26 H VAL 26 -6.323 8.404 -8.917 173 HA VAL 26 HA VAL 26 -5.505 8.083 -6.139 174 HB VAL 26 HB VAL 26 -4.741 6.014 -8.200 175 HG11 VAL 26 1HG1 VAL 26 -3.883 4.799 -6.222 176 HG12 VAL 26 2HG1 VAL 26 -3.051 6.329 -6.508 177 HG13 VAL 26 3HG1 VAL 26 -4.261 6.207 -5.229 178 HG21 VAL 26 1HG2 VAL 26 -6.237 4.485 -7.146 179 HG22 VAL 26 2HG2 VAL 26 -6.629 5.650 -5.880 180 HG23 VAL 26 3HG2 VAL 26 -7.158 5.937 -7.537 181 H ASN 27 H ASN 27 -3.535 8.923 -5.741 182 HA ASN 27 HA ASN 27 -1.582 9.242 -7.851 183 HB2 ASN 27 1HB ASN 27 -2.836 11.651 -6.518 184 HB3 ASN 27 2HB ASN 27 -1.392 11.701 -7.523 185 HD21 ASN 27 1HD2 ASN 27 -1.578 11.594 -9.714 186 HD22 ASN 27 2HD2 ASN 27 -3.092 11.626 -10.545 187 H VAL 28 H VAL 28 0.169 8.473 -6.875 188 HA VAL 28 HA VAL 28 0.571 8.897 -4.020 189 HB VAL 28 HB VAL 28 2.334 7.337 -5.906 190 HG11 VAL 28 1HG1 VAL 28 3.599 6.933 -4.126 191 HG12 VAL 28 2HG1 VAL 28 2.615 8.076 -3.211 192 HG13 VAL 28 3HG1 VAL 28 2.202 6.361 -3.214 193 HG21 VAL 28 1HG2 VAL 28 0.181 6.348 -6.093 194 HG22 VAL 28 2HG2 VAL 28 1.114 5.336 -4.990 195 HG23 VAL 28 3HG2 VAL 28 -0.091 6.455 -4.354 196 H HIS 29 H HIS 29 1.218 10.998 -3.763 197 HA HIS 29 HA HIS 29 3.676 11.806 -5.173 198 HB2 HIS 29 1HB HIS 29 1.575 13.187 -5.542 199 HB3 HIS 29 2HB HIS 29 1.702 13.669 -3.853 200 HD1 HIS 29 1HD HIS 29 2.878 14.529 -7.186 201 HD2 HIS 29 2HD HIS 29 4.178 15.124 -3.286 202 HE1 HIS 29 1HE HIS 29 4.568 16.387 -7.318 203 HE2 HIS 29 2HE HIS 29 5.403 16.671 -4.959 204 H ASN 30 H ASN 30 2.036 11.653 -2.066 205 HA ASN 30 HA ASN 30 4.644 12.005 -0.754 206 HB2 ASN 30 1HB ASN 30 3.112 13.075 1.137 207 HB3 ASN 30 2HB ASN 30 3.781 14.051 -0.168 208 HD21 ASN 30 1HD2 ASN 30 0.983 11.909 0.286 209 HD22 ASN 30 2HD2 ASN 30 -0.175 13.007 -0.376 210 H PHE 31 H PHE 31 4.291 11.421 1.723 211 HA PHE 31 HA PHE 31 2.933 8.810 1.738 212 HB2 PHE 31 1HB PHE 31 5.359 9.815 3.224 213 HB3 PHE 31 2HB PHE 31 4.517 8.338 3.684 214 HD1 PHE 31 2HD PHE 31 3.893 7.031 1.222 215 HD2 PHE 31 1HD PHE 31 7.364 9.269 2.253 216 HE1 PHE 31 2HE PHE 31 5.197 5.770 -0.441 217 HE2 PHE 31 1HE PHE 31 8.673 8.013 0.593 218 HZ PHE 31 HZ PHE 31 7.590 6.259 -0.756 219 H THR 32 H THR 32 1.934 11.608 2.418 220 HA THR 32 HA THR 32 0.892 10.934 5.092 221 HB THR 32 HB THR 32 0.593 13.591 5.131 222 HG1 THR 32 1HG THR 32 1.603 14.121 3.243 223 HG21 THR 32 1HG2 THR 32 1.932 13.359 6.900 224 HG22 THR 32 2HG2 THR 32 3.326 13.043 5.867 225 HG23 THR 32 3HG2 THR 32 2.273 11.716 6.357 226 H THR 33 H THR 33 0.217 13.172 2.392 227 HA THR 33 HA THR 33 -2.646 12.775 2.818 228 HB THR 33 HB THR 33 -2.976 14.649 1.290 229 HG1 THR 33 1HG THR 33 -0.918 15.752 0.640 230 HG21 THR 33 1HG2 THR 33 -1.411 14.803 3.732 231 HG22 THR 33 2HG2 THR 33 -2.754 15.809 3.189 232 HG23 THR 33 3HG2 THR 33 -1.110 16.172 2.664 233 H SER 34 H SER 34 -1.171 10.587 1.746 234 HA SER 34 HA SER 34 -2.366 10.435 -0.943 235 HB2 SER 34 1HB SER 34 0.049 10.539 -1.188 236 HB3 SER 34 2HB SER 34 0.255 9.242 -0.012 237 HG SER 34 HG SER 34 -0.992 9.052 -2.554 238 H TRP 35 H TRP 35 -1.904 9.006 2.151 239 HA TRP 35 HA TRP 35 -3.518 6.688 1.308 240 HB2 TRP 35 1HB TRP 35 -1.667 6.567 3.668 241 HB3 TRP 35 2HB TRP 35 -2.314 5.248 2.696 242 HD1 TRP 35 HD TRP 35 0.246 8.139 2.352 243 HE1 TRP 35 1HE TRP 35 2.093 7.374 0.731 244 HE3 TRP 35 3HE TRP 35 -1.689 3.604 1.001 245 HZ2 TRP 35 2HZ TRP 35 2.654 5.143 -0.905 246 HZ3 TRP 35 3HZ TRP 35 -0.436 2.216 -0.598 247 HH2 TRP 35 HH TRP 35 1.690 2.971 -1.530 248 H ARG 36 H ARG 36 -3.870 9.487 2.727 249 HA ARG 36 HA ARG 36 -4.845 9.041 5.305 250 HB2 ARG 36 1HB ARG 36 -4.411 11.280 4.444 251 HB3 ARG 36 2HB ARG 36 -5.705 11.101 3.267 252 HG2 ARG 36 1HG ARG 36 -6.383 10.768 6.136 253 HG3 ARG 36 2HG ARG 36 -6.047 12.396 5.541 254 HD2 ARG 36 1HD ARG 36 -7.932 10.607 4.060 255 HD3 ARG 36 2HD ARG 36 -8.480 11.480 5.491 256 HE ARG 36 HE ARG 36 -7.885 12.587 2.899 257 HH11 ARG 36 1HH1 ARG 36 -8.223 13.238 6.301 258 HH12 ARG 36 2HH1 ARG 36 -8.550 14.925 6.079 259 HH21 ARG 36 1HH2 ARG 36 -8.316 14.805 2.593 260 HH22 ARG 36 2HH2 ARG 36 -8.604 15.814 3.969 261 H ASP 37 H ASP 37 -6.531 8.983 2.184 262 HA ASP 37 HA ASP 37 -9.064 8.326 3.356 263 HB2 ASP 37 1HB ASP 37 -8.665 9.527 1.131 264 HB3 ASP 37 2HB ASP 37 -8.304 7.938 0.464 265 H GLY 38 H GLY 38 -6.761 6.505 1.324 266 HA2 GLY 38 1HA GLY 38 -6.270 4.226 2.360 267 HA3 GLY 38 2HA GLY 38 -8.015 4.023 2.307 268 H LEU 39 H LEU 39 -8.328 5.365 -0.249 269 HA LEU 39 HA LEU 39 -8.491 3.394 -2.033 270 HB2 LEU 39 1HB LEU 39 -7.417 6.133 -2.691 271 HB3 LEU 39 2HB LEU 39 -8.142 5.009 -3.838 272 HG LEU 39 HG LEU 39 -9.559 6.361 -1.542 273 HD11 LEU 39 1HD1 LEU 39 -10.031 8.023 -2.931 274 HD12 LEU 39 2HD1 LEU 39 -10.601 6.897 -4.161 275 HD13 LEU 39 3HD1 LEU 39 -8.893 7.328 -4.085 276 HD21 LEU 39 1HD2 LEU 39 -10.241 4.080 -3.236 277 HD22 LEU 39 2HD2 LEU 39 -11.463 5.352 -3.227 278 HD23 LEU 39 3HD2 LEU 39 -10.946 4.613 -1.710 279 H ALA 40 H ALA 40 -5.523 5.332 -1.649 280 HA ALA 40 HA ALA 40 -3.867 4.184 -3.463 281 HB1 ALA 40 1HB ALA 40 -2.591 5.684 -2.420 282 HB2 ALA 40 2HB ALA 40 -3.508 5.542 -0.920 283 HB3 ALA 40 3HB ALA 40 -2.208 4.403 -1.271 284 H PHE 41 H PHE 41 -4.445 2.939 -0.176 285 HA PHE 41 HA PHE 41 -2.807 0.671 -0.403 286 HB2 PHE 41 1HB PHE 41 -5.185 1.286 1.346 287 HB3 PHE 41 2HB PHE 41 -4.289 -0.223 1.476 288 HD1 PHE 41 1HD PHE 41 -1.600 0.249 1.505 289 HD2 PHE 41 2HD PHE 41 -4.651 2.867 2.905 290 HE1 PHE 41 1HE PHE 41 0.025 1.342 2.996 291 HE2 PHE 41 2HE PHE 41 -3.031 3.963 4.397 292 HZ PHE 41 HZ PHE 41 -0.689 3.201 4.443 293 H ASN 42 H ASN 42 -6.267 1.122 -1.023 294 HA ASN 42 HA ASN 42 -6.707 -1.611 -1.743 295 HB2 ASN 42 1HB ASN 42 -8.400 0.840 -2.281 296 HB3 ASN 42 2HB ASN 42 -8.926 -0.830 -2.478 297 HD21 ASN 42 1HD2 ASN 42 -8.722 1.781 -0.391 298 HD22 ASN 42 2HD2 ASN 42 -9.147 0.973 1.076 299 H ALA 43 H ALA 43 -4.912 0.615 -3.238 300 HA ALA 43 HA ALA 43 -5.792 -0.033 -5.958 301 HB1 ALA 43 1HB ALA 43 -5.100 1.998 -6.538 302 HB2 ALA 43 2HB ALA 43 -4.855 2.322 -4.822 303 HB3 ALA 43 3HB ALA 43 -3.515 1.739 -5.809 304 H ILE 44 H ILE 44 -3.021 -0.300 -3.791 305 HA ILE 44 HA ILE 44 -1.171 -1.344 -5.618 306 HB ILE 44 HB ILE 44 -1.394 -1.854 -2.650 307 HG12 ILE 44 1HG1 ILE 44 0.444 0.048 -4.106 308 HG13 ILE 44 2HG1 ILE 44 -1.119 0.537 -3.461 309 HG21 ILE 44 1HG2 ILE 44 0.092 -3.480 -3.134 310 HG22 ILE 44 2HG2 ILE 44 0.526 -2.768 -4.687 311 HG23 ILE 44 3HG2 ILE 44 1.226 -2.132 -3.199 312 HD11 ILE 44 1HD1 ILE 44 -0.422 0.115 -1.236 313 HD12 ILE 44 2HD1 ILE 44 1.053 -0.684 -1.785 314 HD13 ILE 44 3HD1 ILE 44 0.852 1.053 -2.016 315 H VAL 45 H VAL 45 -3.302 -3.057 -3.329 316 HA VAL 45 HA VAL 45 -2.612 -5.657 -4.067 317 HB VAL 45 HB VAL 45 -5.297 -4.680 -3.081 318 HG11 VAL 45 1HG1 VAL 45 -4.666 -7.166 -4.073 319 HG12 VAL 45 2HG1 VAL 45 -4.445 -7.364 -2.333 320 HG13 VAL 45 3HG1 VAL 45 -5.991 -6.801 -2.969 321 HG21 VAL 45 1HG2 VAL 45 -4.351 -5.551 -0.872 322 HG22 VAL 45 2HG2 VAL 45 -2.775 -5.485 -1.661 323 HG23 VAL 45 3HG2 VAL 45 -3.728 -4.013 -1.469 324 H HIS 46 H HIS 46 -5.597 -3.944 -5.016 325 HA HIS 46 HA HIS 46 -6.707 -5.569 -6.808 326 HB2 HIS 46 1HB HIS 46 -7.365 -3.170 -6.288 327 HB3 HIS 46 2HB HIS 46 -6.224 -2.680 -7.536 328 HD1 HIS 46 1HD HIS 46 -6.942 -2.957 -9.959 329 HD2 HIS 46 2HD HIS 46 -9.672 -4.526 -7.248 330 HE1 HIS 46 1HE HIS 46 -9.002 -3.475 -11.305 331 HE2 HIS 46 2HE HIS 46 -10.670 -4.344 -9.628 332 H LYS 47 H LYS 47 -3.856 -3.581 -7.491 333 HA LYS 47 HA LYS 47 -3.557 -4.217 -10.194 334 HB2 LYS 47 1HB LYS 47 -2.311 -2.452 -8.858 335 HB3 LYS 47 2HB LYS 47 -1.276 -3.748 -8.275 336 HG2 LYS 47 1HG LYS 47 -0.059 -2.918 -10.039 337 HG3 LYS 47 2HG LYS 47 -0.924 -4.258 -10.794 338 HD2 LYS 47 1HD LYS 47 -2.514 -2.781 -11.777 339 HD3 LYS 47 2HD LYS 47 -1.924 -1.415 -10.826 340 HE2 LYS 47 1HE LYS 47 -0.034 -1.163 -12.116 341 HE3 LYS 47 2HE LYS 47 -0.038 -2.845 -12.642 342 HZ1 LYS 47 1HZ LYS 47 -1.541 -0.564 -13.699 343 HZ2 LYS 47 2HZ LYS 47 -2.254 -2.095 -13.785 344 HZ3 LYS 47 3HZ LYS 47 -0.759 -1.815 -14.526 345 H HIS 48 H HIS 48 -2.196 -5.802 -7.319 346 HA HIS 48 HA HIS 48 -0.911 -7.857 -8.855 347 HB2 HIS 48 1HB HIS 48 -1.497 -7.921 -5.896 348 HB3 HIS 48 2HB HIS 48 -0.225 -8.777 -6.762 349 HD1 HIS 48 1HD HIS 48 1.401 -6.845 -8.131 350 HD2 HIS 48 2HD HIS 48 -0.457 -5.835 -4.554 351 HE1 HIS 48 1HE HIS 48 2.697 -4.888 -7.230 352 HE2 HIS 48 2HE HIS 48 1.608 -4.348 -5.023 353 H ARG 49 H ARG 49 -3.667 -7.838 -6.593 354 HA ARG 49 HA ARG 49 -4.684 -10.235 -7.975 355 HB2 ARG 49 1HB ARG 49 -4.814 -9.510 -5.047 356 HB3 ARG 49 2HB ARG 49 -5.799 -10.777 -5.768 357 HG2 ARG 49 1HG ARG 49 -2.862 -10.881 -6.188 358 HG3 ARG 49 2HG ARG 49 -3.499 -11.301 -4.596 359 HD2 ARG 49 1HD ARG 49 -3.234 -13.253 -6.103 360 HD3 ARG 49 2HD ARG 49 -4.890 -13.013 -5.547 361 HE ARG 49 HE ARG 49 -5.525 -12.497 -7.708 362 HH11 ARG 49 1HH1 ARG 49 -2.061 -12.768 -7.492 363 HH12 ARG 49 2HH1 ARG 49 -1.825 -12.780 -9.209 364 HH21 ARG 49 1HH2 ARG 49 -5.227 -12.514 -9.969 365 HH22 ARG 49 2HH2 ARG 49 -3.626 -12.635 -10.616 366 HA PRO 50 HA PRO 50 -7.804 -6.941 -8.640 367 HB2 PRO 50 1HB PRO 50 -8.582 -7.884 -11.064 368 HB3 PRO 50 2HB PRO 50 -7.185 -6.824 -10.850 369 HG2 PRO 50 1HG PRO 50 -7.273 -9.799 -11.168 370 HG3 PRO 50 2HG PRO 50 -6.167 -8.626 -11.908 371 HD2 PRO 50 1HD PRO 50 -5.480 -10.126 -9.760 372 HD3 PRO 50 2HD PRO 50 -4.856 -8.484 -10.018 373 H ASP 51 H ASP 51 -7.865 -10.136 -7.865 374 HA ASP 51 HA ASP 51 -10.696 -10.576 -8.381 375 HB2 ASP 51 1HB ASP 51 -9.232 -12.468 -8.738 376 HB3 ASP 51 2HB ASP 51 -8.584 -12.323 -7.106 377 H LEU 52 H LEU 52 -8.508 -10.384 -5.584 378 HA LEU 52 HA LEU 52 -10.181 -10.784 -3.494 379 HB2 LEU 52 1HB LEU 52 -8.173 -8.543 -3.681 380 HB3 LEU 52 2HB LEU 52 -8.823 -9.231 -2.193 381 HG LEU 52 HG LEU 52 -6.986 -10.576 -4.170 382 HD11 LEU 52 1HD1 LEU 52 -6.628 -9.136 -1.656 383 HD12 LEU 52 2HD1 LEU 52 -5.458 -9.540 -2.912 384 HD13 LEU 52 3HD1 LEU 52 -5.872 -10.730 -1.677 385 HD21 LEU 52 1HD2 LEU 52 -8.729 -11.665 -2.045 386 HD22 LEU 52 2HD2 LEU 52 -7.076 -12.278 -2.107 387 HD23 LEU 52 3HD2 LEU 52 -8.123 -12.421 -3.519 388 H LEU 53 H LEU 53 -9.630 -7.548 -4.900 389 HA LEU 53 HA LEU 53 -12.391 -6.859 -4.147 390 HB2 LEU 53 1HB LEU 53 -11.730 -4.686 -3.479 391 HB3 LEU 53 2HB LEU 53 -10.665 -5.827 -2.662 392 HG LEU 53 HG LEU 53 -9.851 -4.392 -5.177 393 HD11 LEU 53 1HD1 LEU 53 -9.899 -3.428 -2.364 394 HD12 LEU 53 2HD1 LEU 53 -10.144 -2.543 -3.868 395 HD13 LEU 53 3HD1 LEU 53 -8.517 -3.012 -3.378 396 HD21 LEU 53 1HD2 LEU 53 -8.235 -5.941 -4.941 397 HD22 LEU 53 2HD2 LEU 53 -8.599 -6.216 -3.236 398 HD23 LEU 53 3HD2 LEU 53 -7.621 -4.828 -3.717 399 H ASP 54 H ASP 54 -13.221 -4.939 -5.380 400 HA ASP 54 HA ASP 54 -12.415 -5.203 -8.187 401 HB2 ASP 54 1HB ASP 54 -14.956 -4.168 -6.917 402 HB3 ASP 54 2HB ASP 54 -14.631 -4.108 -8.648 403 H PHE 55 H PHE 55 -12.966 -2.821 -5.651 404 HA PHE 55 HA PHE 55 -12.234 -0.682 -5.397 405 HB2 PHE 55 1HB PHE 55 -10.081 -1.707 -6.266 406 HB3 PHE 55 2HB PHE 55 -10.534 -1.099 -7.855 407 HD1 PHE 55 1HD PHE 55 -9.584 -0.138 -4.433 408 HD2 PHE 55 2HD PHE 55 -10.302 1.199 -8.409 409 HE1 PHE 55 1HE PHE 55 -8.567 2.034 -3.883 410 HE2 PHE 55 2HE PHE 55 -9.285 3.373 -7.867 411 HZ PHE 55 HZ PHE 55 -8.415 3.792 -5.601 412 H GLU 56 H GLU 56 -14.579 -1.254 -6.934 413 HA GLU 56 HA GLU 56 -14.570 1.032 -8.795 414 HB2 GLU 56 1HB GLU 56 -16.314 -0.065 -10.068 415 HB3 GLU 56 2HB GLU 56 -14.934 -1.144 -9.913 416 HG2 GLU 56 1HG GLU 56 -16.036 -2.499 -8.341 417 HG3 GLU 56 2HG GLU 56 -17.298 -1.298 -8.075 418 H SER 57 H SER 57 -16.187 -0.593 -6.165 419 HA SER 57 HA SER 57 -18.393 1.296 -6.149 420 HB2 SER 57 1HB SER 57 -17.716 -0.950 -4.232 421 HB3 SER 57 2HB SER 57 -19.209 -0.009 -4.224 422 HG SER 57 HG SER 57 -19.689 -0.844 -6.268 423 H LEU 58 H LEU 58 -15.435 0.647 -4.385 424 HA LEU 58 HA LEU 58 -15.668 2.009 -2.067 425 HB2 LEU 58 1HB LEU 58 -13.358 2.201 -3.995 426 HB3 LEU 58 2HB LEU 58 -13.297 2.653 -2.292 427 HG LEU 58 HG LEU 58 -13.867 -0.138 -3.285 428 HD11 LEU 58 1HD1 LEU 58 -11.453 1.192 -3.446 429 HD12 LEU 58 2HD1 LEU 58 -11.687 -0.556 -3.441 430 HD13 LEU 58 3HD1 LEU 58 -11.336 0.291 -1.934 431 HD21 LEU 58 1HD2 LEU 58 -14.012 -0.782 -1.125 432 HD22 LEU 58 2HD2 LEU 58 -14.495 0.898 -0.886 433 HD23 LEU 58 3HD2 LEU 58 -12.829 0.406 -0.576 434 H LYS 59 H LYS 59 -15.736 4.091 -1.348 435 HA LYS 59 HA LYS 59 -15.836 6.210 -3.390 436 HB2 LYS 59 1HB LYS 59 -17.657 5.743 -1.037 437 HB3 LYS 59 2HB LYS 59 -17.518 7.320 -1.804 438 HG2 LYS 59 1HG LYS 59 -18.118 4.930 -3.482 439 HG3 LYS 59 2HG LYS 59 -19.400 5.661 -2.511 440 HD2 LYS 59 1HD LYS 59 -18.546 7.884 -3.596 441 HD3 LYS 59 2HD LYS 59 -17.876 6.798 -4.817 442 HE2 LYS 59 1HE LYS 59 -20.719 6.454 -3.991 443 HE3 LYS 59 2HE LYS 59 -20.303 7.796 -5.055 444 HZ1 LYS 59 1HZ LYS 59 -19.033 5.526 -6.044 445 HZ2 LYS 59 2HZ LYS 59 -20.316 6.383 -6.740 446 HZ3 LYS 59 3HZ LYS 59 -20.630 5.080 -5.706 447 H LYS 60 H LYS 60 -15.222 8.327 -2.676 448 HA LYS 60 HA LYS 60 -13.104 8.233 -0.695 449 HB2 LYS 60 1HB LYS 60 -13.017 9.394 -3.009 450 HB3 LYS 60 2HB LYS 60 -13.931 10.681 -2.232 451 HG2 LYS 60 1HG LYS 60 -12.174 11.346 -0.946 452 HG3 LYS 60 2HG LYS 60 -11.458 9.733 -0.892 453 HD2 LYS 60 1HD LYS 60 -9.990 10.920 -2.251 454 HD3 LYS 60 2HD LYS 60 -11.024 10.087 -3.412 455 HE2 LYS 60 1HE LYS 60 -11.561 12.894 -2.471 456 HE3 LYS 60 2HE LYS 60 -10.548 12.535 -3.869 457 HZ1 LYS 60 1HZ LYS 60 -12.578 12.818 -4.848 458 HZ2 LYS 60 2HZ LYS 60 -13.442 12.193 -3.536 459 HZ3 LYS 60 3HZ LYS 60 -12.618 11.148 -4.579 460 H CYS 61 H CYS 61 -15.599 7.893 0.465 461 HA CYS 61 HA CYS 61 -15.929 10.429 1.928 462 HB2 CYS 61 1HB CYS 61 -17.878 9.721 0.441 463 HB3 CYS 61 2HB CYS 61 -18.113 8.381 1.558 464 HG CYS 61 HG CYS 61 -20.014 10.301 2.171 465 H ASN 62 H ASN 62 -16.320 6.901 2.157 466 HA ASN 62 HA ASN 62 -16.006 7.079 5.063 467 HB2 ASN 62 1HB ASN 62 -17.020 4.932 3.215 468 HB3 ASN 62 2HB ASN 62 -16.561 4.558 4.874 469 HD21 ASN 62 1HD2 ASN 62 -17.459 6.536 6.352 470 HD22 ASN 62 2HD2 ASN 62 -19.169 6.731 6.202 471 H ALA 63 H ALA 63 -13.775 7.500 5.140 472 HA ALA 63 HA ALA 63 -11.827 5.927 3.820 473 HB1 ALA 63 1HB ALA 63 -10.628 7.669 4.496 474 HB2 ALA 63 2HB ALA 63 -11.867 8.140 5.661 475 HB3 ALA 63 3HB ALA 63 -10.628 6.970 6.115 476 H HIS 64 H HIS 64 -12.851 5.958 7.239 477 HA HIS 64 HA HIS 64 -11.372 4.007 8.338 478 HB2 HIS 64 1HB HIS 64 -13.152 5.171 9.553 479 HB3 HIS 64 2HB HIS 64 -14.370 4.273 8.652 480 HD1 HIS 64 1HD HIS 64 -11.288 3.087 10.553 481 HD2 HIS 64 2HD HIS 64 -15.392 2.469 10.376 482 HE1 HIS 64 1HE HIS 64 -11.765 1.260 12.216 483 HE2 HIS 64 2HE HIS 64 -14.242 0.844 12.029 484 H TYR 65 H TYR 65 -14.057 3.492 6.112 485 HA TYR 65 HA TYR 65 -13.986 0.637 6.321 486 HB2 TYR 65 1HB TYR 65 -16.063 1.640 5.691 487 HB3 TYR 65 2HB TYR 65 -15.310 2.514 4.362 488 HD1 TYR 65 1HD TYR 65 -16.224 -0.881 5.545 489 HD2 TYR 65 2HD TYR 65 -15.138 1.545 2.222 490 HE1 TYR 65 1HE TYR 65 -16.785 -2.728 4.021 491 HE2 TYR 65 2HE TYR 65 -15.697 -0.295 0.689 492 HH TYR 65 HH TYR 65 -16.797 -3.440 1.917 493 H ASN 66 H ASN 66 -12.973 2.955 3.814 494 HA ASN 66 HA ASN 66 -11.934 1.169 1.974 495 HB2 ASN 66 1HB ASN 66 -11.422 4.026 2.636 496 HB3 ASN 66 2HB ASN 66 -10.250 3.215 1.602 497 HD21 ASN 66 1HD2 ASN 66 -13.213 4.793 1.746 498 HD22 ASN 66 2HD2 ASN 66 -13.757 4.457 0.140 499 H LEU 67 H LEU 67 -10.329 2.656 4.767 500 HA LEU 67 HA LEU 67 -7.801 1.459 4.293 501 HB2 LEU 67 1HB LEU 67 -9.004 2.561 6.827 502 HB3 LEU 67 2HB LEU 67 -7.312 2.113 6.627 503 HG LEU 67 HG LEU 67 -8.512 4.159 4.811 504 HD11 LEU 67 1HD1 LEU 67 -8.426 4.402 7.653 505 HD12 LEU 67 2HD1 LEU 67 -8.936 5.586 6.451 506 HD13 LEU 67 3HD1 LEU 67 -7.243 5.499 6.940 507 HD21 LEU 67 1HD2 LEU 67 -5.804 4.347 5.991 508 HD22 LEU 67 2HD2 LEU 67 -6.360 4.710 4.356 509 HD23 LEU 67 3HD2 LEU 67 -6.091 3.037 4.845 510 H GLN 68 H GLN 68 -10.014 0.822 7.016 511 HA GLN 68 HA GLN 68 -8.938 -1.487 7.958 512 HB2 GLN 68 1HB GLN 68 -11.049 -2.008 8.931 513 HB3 GLN 68 2HB GLN 68 -10.931 -0.254 8.879 514 HG2 GLN 68 1HG GLN 68 -12.220 -0.457 6.656 515 HG3 GLN 68 2HG GLN 68 -12.623 -2.078 7.224 516 HE21 GLN 68 1HE2 GLN 68 -14.824 -1.381 7.214 517 HE22 GLN 68 2HE2 GLN 68 -15.448 -0.451 8.531 518 H ASN 69 H ASN 69 -11.077 -1.153 5.171 519 HA ASN 69 HA ASN 69 -11.573 -3.847 4.664 520 HB2 ASN 69 1HB ASN 69 -12.726 -1.982 3.518 521 HB3 ASN 69 2HB ASN 69 -11.244 -1.623 2.636 522 HD21 ASN 69 1HD2 ASN 69 -10.756 -2.763 0.851 523 HD22 ASN 69 2HD2 ASN 69 -11.727 -4.041 0.213 524 H ALA 70 H ALA 70 -9.075 -1.779 3.173 525 HA ALA 70 HA ALA 70 -7.772 -3.775 1.736 526 HB1 ALA 70 1HB ALA 70 -6.363 -2.142 1.139 527 HB2 ALA 70 2HB ALA 70 -7.446 -1.083 2.043 528 HB3 ALA 70 3HB ALA 70 -5.991 -1.719 2.810 529 H PHE 71 H PHE 71 -6.863 -2.439 4.919 530 HA PHE 71 HA PHE 71 -4.715 -4.051 5.487 531 HB2 PHE 71 1HB PHE 71 -6.829 -3.092 7.428 532 HB3 PHE 71 2HB PHE 71 -5.224 -3.669 7.871 533 HD1 PHE 71 2HD PHE 71 -3.660 -2.359 5.667 534 HD2 PHE 71 1HD PHE 71 -6.739 -0.886 8.209 535 HE1 PHE 71 2HE PHE 71 -2.771 -0.079 5.416 536 HE2 PHE 71 1HE PHE 71 -5.855 1.397 7.963 537 HZ PHE 71 HZ PHE 71 -3.868 1.803 6.565 538 H ASN 72 H ASN 72 -8.148 -4.756 6.005 539 HA ASN 72 HA ASN 72 -7.803 -7.230 7.300 540 HB2 ASN 72 1HB ASN 72 -10.093 -6.132 5.662 541 HB3 ASN 72 2HB ASN 72 -10.173 -7.662 6.533 542 HD21 ASN 72 1HD2 ASN 72 -11.577 -5.015 6.804 543 HD22 ASN 72 2HD2 ASN 72 -11.411 -4.613 8.475 544 H LEU 73 H LEU 73 -8.251 -6.410 3.879 545 HA LEU 73 HA LEU 73 -8.337 -9.043 2.900 546 HB2 LEU 73 1HB LEU 73 -7.774 -6.365 1.734 547 HB3 LEU 73 2HB LEU 73 -7.364 -7.791 0.785 548 HG LEU 73 HG LEU 73 -10.110 -7.097 1.824 549 HD11 LEU 73 1HD1 LEU 73 -10.624 -6.780 -0.581 550 HD12 LEU 73 2HD1 LEU 73 -8.903 -6.935 -0.932 551 HD13 LEU 73 3HD1 LEU 73 -9.482 -5.596 0.058 552 HD21 LEU 73 1HD2 LEU 73 -10.044 -9.055 -0.265 553 HD22 LEU 73 2HD2 LEU 73 -10.724 -9.176 1.358 554 HD23 LEU 73 3HD2 LEU 73 -9.030 -9.582 1.079 555 H ALA 74 H ALA 74 -5.630 -6.783 3.297 556 HA ALA 74 HA ALA 74 -3.682 -8.616 2.281 557 HB1 ALA 74 1HB ALA 74 -3.687 -5.897 3.396 558 HB2 ALA 74 2HB ALA 74 -2.211 -6.822 3.674 559 HB3 ALA 74 3HB ALA 74 -2.794 -6.565 2.030 560 H GLU 75 H GLU 75 -5.012 -7.885 5.424 561 HA GLU 75 HA GLU 75 -2.967 -9.247 6.905 562 HB2 GLU 75 1HB GLU 75 -4.395 -7.398 7.824 563 HB3 GLU 75 2HB GLU 75 -5.752 -8.515 7.816 564 HG2 GLU 75 1HG GLU 75 -4.061 -9.997 9.211 565 HG3 GLU 75 2HG GLU 75 -3.384 -8.414 9.592 566 H LYS 76 H LYS 76 -5.661 -10.227 5.096 567 HA LYS 76 HA LYS 76 -5.789 -12.811 6.495 568 HB2 LYS 76 1HB LYS 76 -7.906 -11.434 6.156 569 HB3 LYS 76 2HB LYS 76 -7.749 -11.791 4.441 570 HG2 LYS 76 1HG LYS 76 -7.663 -14.262 5.220 571 HG3 LYS 76 2HG LYS 76 -8.381 -13.632 6.705 572 HD2 LYS 76 1HD LYS 76 -9.532 -13.016 3.999 573 HD3 LYS 76 2HD LYS 76 -9.972 -14.477 4.888 574 HE2 LYS 76 1HE LYS 76 -11.625 -12.920 5.458 575 HE3 LYS 76 2HE LYS 76 -10.521 -12.917 6.833 576 HZ1 LYS 76 1HZ LYS 76 -10.001 -10.795 6.487 577 HZ2 LYS 76 2HZ LYS 76 -11.349 -10.724 5.468 578 HZ3 LYS 76 3HZ LYS 76 -9.812 -11.001 4.819 579 H GLU 77 H GLU 77 -5.967 -11.507 3.176 580 HA GLU 77 HA GLU 77 -5.403 -13.966 1.913 581 HB2 GLU 77 1HB GLU 77 -5.138 -11.113 0.964 582 HB3 GLU 77 2HB GLU 77 -4.849 -12.503 -0.074 583 HG2 GLU 77 1HG GLU 77 -7.438 -12.071 1.384 584 HG3 GLU 77 2HG GLU 77 -7.127 -11.439 -0.232 585 H LEU 78 H LEU 78 -3.286 -11.100 1.920 586 HA LEU 78 HA LEU 78 -0.960 -12.522 1.253 587 HB2 LEU 78 1HB LEU 78 -1.063 -9.922 2.764 588 HB3 LEU 78 2HB LEU 78 0.240 -10.517 1.739 589 HG LEU 78 HG LEU 78 -2.496 -9.753 0.729 590 HD11 LEU 78 1HD1 LEU 78 -1.267 -7.833 1.691 591 HD12 LEU 78 2HD1 LEU 78 -1.513 -7.703 -0.050 592 HD13 LEU 78 3HD1 LEU 78 0.065 -8.171 0.585 593 HD21 LEU 78 1HD2 LEU 78 -1.709 -11.082 -0.935 594 HD22 LEU 78 2HD2 LEU 78 -0.020 -10.824 -0.498 595 HD23 LEU 78 3HD2 LEU 78 -0.900 -9.583 -1.392 596 H GLY 79 H GLY 79 -2.260 -11.494 4.384 597 HA2 GLY 79 1HA GLY 79 -1.971 -12.677 6.399 598 HA3 GLY 79 2HA GLY 79 -0.620 -13.537 5.674 599 H LEU 80 H LEU 80 -1.156 -10.042 5.832 600 HA LEU 80 HA LEU 80 1.456 -9.766 7.117 601 HB2 LEU 80 1HB LEU 80 -0.361 -7.762 5.791 602 HB3 LEU 80 2HB LEU 80 1.163 -7.346 6.574 603 HG LEU 80 HG LEU 80 1.013 -9.285 4.279 604 HD11 LEU 80 1HD1 LEU 80 1.606 -7.449 2.801 605 HD12 LEU 80 2HD1 LEU 80 1.475 -6.309 4.139 606 HD13 LEU 80 3HD1 LEU 80 0.042 -7.157 3.561 607 HD21 LEU 80 1HD2 LEU 80 3.224 -9.412 4.490 608 HD22 LEU 80 2HD2 LEU 80 3.048 -8.576 6.033 609 HD23 LEU 80 3HD2 LEU 80 3.385 -7.656 4.565 610 H THR 81 H THR 81 1.765 -8.462 8.968 611 HA THR 81 HA THR 81 -0.452 -8.588 10.831 612 HB THR 81 HB THR 81 2.405 -7.689 11.251 613 HG1 THR 81 1HG THR 81 2.595 -9.752 12.237 614 HG21 THR 81 1HG2 THR 81 0.596 -6.782 12.829 615 HG22 THR 81 2HG2 THR 81 1.979 -7.600 13.558 616 HG23 THR 81 3HG2 THR 81 0.440 -8.445 13.395 617 H LYS 82 H LYS 82 -1.839 -6.973 11.054 618 HA LYS 82 HA LYS 82 -1.612 -4.464 9.862 619 HB2 LYS 82 1HB LYS 82 -3.375 -5.660 11.940 620 HB3 LYS 82 2HB LYS 82 -3.377 -3.908 11.789 621 HG2 LYS 82 1HG LYS 82 -3.784 -4.308 9.295 622 HG3 LYS 82 2HG LYS 82 -4.183 -5.962 9.764 623 HD2 LYS 82 1HD LYS 82 -5.474 -3.566 11.045 624 HD3 LYS 82 2HD LYS 82 -6.119 -4.321 9.586 625 HE2 LYS 82 1HE LYS 82 -6.552 -6.348 10.704 626 HE3 LYS 82 2HE LYS 82 -5.555 -5.892 12.084 627 HZ1 LYS 82 1HZ LYS 82 -7.161 -4.243 12.704 628 HZ2 LYS 82 2HZ LYS 82 -7.954 -5.725 12.525 629 HZ3 LYS 82 3HZ LYS 82 -8.088 -4.544 11.322 630 H LEU 83 H LEU 83 -0.207 -2.907 10.299 631 HA LEU 83 HA LEU 83 0.877 -2.658 13.006 632 HB2 LEU 83 1HB LEU 83 1.754 -1.180 10.536 633 HB3 LEU 83 2HB LEU 83 2.631 -1.359 12.054 634 HG LEU 83 HG LEU 83 2.026 -3.652 10.194 635 HD11 LEU 83 1HD1 LEU 83 3.931 -3.296 9.037 636 HD12 LEU 83 2HD1 LEU 83 4.769 -2.589 10.418 637 HD13 LEU 83 3HD1 LEU 83 3.626 -1.618 9.489 638 HD21 LEU 83 1HD2 LEU 83 4.210 -4.346 11.610 639 HD22 LEU 83 2HD2 LEU 83 2.560 -4.739 12.098 640 HD23 LEU 83 3HD2 LEU 83 3.378 -3.339 12.795 641 H LEU 84 H LEU 84 -0.844 -0.811 10.542 642 HA LEU 84 HA LEU 84 -1.164 1.411 12.432 643 HB2 LEU 84 1HB LEU 84 -1.760 1.245 9.482 644 HB3 LEU 84 2HB LEU 84 -1.992 2.674 10.486 645 HG LEU 84 HG LEU 84 0.698 1.385 10.086 646 HD11 LEU 84 1HD1 LEU 84 -0.702 3.470 8.440 647 HD12 LEU 84 2HD1 LEU 84 0.080 1.984 7.901 648 HD13 LEU 84 3HD1 LEU 84 1.056 3.328 8.492 649 HD21 LEU 84 1HD2 LEU 84 -0.081 4.172 10.929 650 HD22 LEU 84 2HD2 LEU 84 1.548 3.499 10.866 651 HD23 LEU 84 3HD2 LEU 84 0.381 2.879 12.036 652 H ASP 85 H ASP 85 -3.426 2.564 11.952 653 HA ASP 85 HA ASP 85 -5.502 0.480 12.133 654 HB2 ASP 85 1HB ASP 85 -5.137 2.977 13.781 655 HB3 ASP 85 2HB ASP 85 -6.690 2.153 13.670 656 HA PRO 86 HA PRO 86 -7.594 2.575 8.884 657 HB2 PRO 86 1HB PRO 86 -10.147 1.821 9.413 658 HB3 PRO 86 2HB PRO 86 -8.938 0.718 8.744 659 HG2 PRO 86 1HG PRO 86 -9.869 1.016 11.573 660 HG3 PRO 86 2HG PRO 86 -9.554 -0.464 10.649 661 HD2 PRO 86 1HD PRO 86 -7.786 0.541 12.437 662 HD3 PRO 86 2HD PRO 86 -7.277 -0.337 10.980 663 H GLU 87 H GLU 87 -7.741 3.529 12.046 664 HA GLU 87 HA GLU 87 -9.576 5.751 11.426 665 HB2 GLU 87 1HB GLU 87 -9.946 5.918 13.886 666 HB3 GLU 87 2HB GLU 87 -10.522 4.413 13.184 667 HG2 GLU 87 1HG GLU 87 -8.560 3.248 14.000 668 HG3 GLU 87 2HG GLU 87 -7.915 4.755 14.648 669 H ASP 88 H ASP 88 -6.433 4.803 12.474 670 HA ASP 88 HA ASP 88 -5.709 7.441 13.433 671 HB2 ASP 88 1HB ASP 88 -4.396 4.773 13.315 672 HB3 ASP 88 2HB ASP 88 -3.348 6.190 13.337 673 H VAL 89 H VAL 89 -5.639 5.670 10.488 674 HA VAL 89 HA VAL 89 -3.533 7.168 9.241 675 HB VAL 89 HB VAL 89 -5.632 5.313 8.121 676 HG11 VAL 89 1HG1 VAL 89 -5.278 6.263 6.135 677 HG12 VAL 89 2HG1 VAL 89 -3.937 7.231 6.752 678 HG13 VAL 89 3HG1 VAL 89 -3.655 5.577 6.207 679 HG21 VAL 89 1HG2 VAL 89 -2.685 5.057 8.674 680 HG22 VAL 89 2HG2 VAL 89 -4.007 4.120 9.370 681 HG23 VAL 89 3HG2 VAL 89 -3.579 3.915 7.672 682 H ASN 90 H ASN 90 -7.080 7.124 8.921 683 HA ASN 90 HA ASN 90 -7.250 9.232 7.069 684 HB2 ASN 90 1HB ASN 90 -9.643 9.426 8.171 685 HB3 ASN 90 2HB ASN 90 -9.218 8.034 7.179 686 HD21 ASN 90 1HD2 ASN 90 -10.689 8.906 9.931 687 HD22 ASN 90 2HD2 ASN 90 -10.472 7.470 10.867 688 H VAL 91 H VAL 91 -5.729 10.776 7.919 689 HA VAL 91 HA VAL 91 -7.013 12.648 9.754 690 HB VAL 91 HB VAL 91 -5.468 11.175 11.096 691 HG11 VAL 91 1HG1 VAL 91 -3.156 12.685 10.012 692 HG12 VAL 91 2HG1 VAL 91 -3.220 11.077 10.736 693 HG13 VAL 91 3HG1 VAL 91 -3.757 11.318 9.073 694 HG21 VAL 91 1HG2 VAL 91 -6.023 13.824 11.317 695 HG22 VAL 91 2HG2 VAL 91 -5.139 12.884 12.519 696 HG23 VAL 91 3HG2 VAL 91 -4.259 13.839 11.326 697 H ASP 92 H ASP 92 -6.097 14.794 9.671 698 HA ASP 92 HA ASP 92 -5.683 15.799 7.157 699 HB2 ASP 92 1HB ASP 92 -4.634 16.906 9.769 700 HB3 ASP 92 2HB ASP 92 -4.739 17.813 8.263 701 H GLN 93 H GLN 93 -3.129 15.160 9.563 702 HA GLN 93 HA GLN 93 -1.269 14.693 7.340 703 HB2 GLN 93 1HB GLN 93 -0.620 16.318 9.805 704 HB3 GLN 93 2HB GLN 93 0.493 15.926 8.501 705 HG2 GLN 93 1HG GLN 93 -0.437 17.435 7.063 706 HG3 GLN 93 2HG GLN 93 -2.023 17.354 7.828 707 HE21 GLN 93 1HE2 GLN 93 -2.359 19.475 8.193 708 HE22 GLN 93 2HE2 GLN 93 -1.375 20.455 9.223 709 HA PRO 94 HA PRO 94 -1.104 11.161 10.260 710 HB2 PRO 94 1HB PRO 94 -0.635 9.317 8.324 711 HB3 PRO 94 2HB PRO 94 -2.258 9.874 8.746 712 HG2 PRO 94 1HG PRO 94 -0.493 10.724 6.482 713 HG3 PRO 94 2HG PRO 94 -2.232 10.381 6.477 714 HD2 PRO 94 1HD PRO 94 -1.244 12.900 6.552 715 HD3 PRO 94 2HD PRO 94 -2.770 12.450 7.339 716 H ASP 95 H ASP 95 0.654 9.797 10.849 717 HA ASP 95 HA ASP 95 3.203 10.983 10.547 718 HB2 ASP 95 1HB ASP 95 2.291 8.350 11.701 719 HB3 ASP 95 2HB ASP 95 3.989 8.824 11.672 720 H GLU 96 H GLU 96 3.731 11.079 8.365 721 HA GLU 96 HA GLU 96 3.546 9.233 6.396 722 HB2 GLU 96 1HB GLU 96 5.578 10.197 5.399 723 HB3 GLU 96 2HB GLU 96 4.506 11.440 6.031 724 HG2 GLU 96 1HG GLU 96 6.884 10.378 7.531 725 HG3 GLU 96 2HG GLU 96 6.938 11.793 6.481 726 H LYS 97 H LYS 97 5.981 9.288 8.955 727 HA LYS 97 HA LYS 97 7.561 7.164 8.004 728 HB2 LYS 97 1HB LYS 97 7.147 8.427 10.691 729 HB3 LYS 97 2HB LYS 97 8.105 6.957 10.556 730 HG2 LYS 97 1HG LYS 97 9.765 8.481 10.346 731 HG3 LYS 97 2HG LYS 97 9.298 8.362 8.649 732 HD2 LYS 97 1HD LYS 97 7.608 10.279 9.387 733 HD3 LYS 97 2HD LYS 97 8.864 10.561 10.595 734 HE2 LYS 97 1HE LYS 97 9.466 10.322 7.658 735 HE3 LYS 97 2HE LYS 97 9.049 11.858 8.416 736 HZ1 LYS 97 1HZ LYS 97 11.184 12.048 8.926 737 HZ2 LYS 97 2HZ LYS 97 11.527 10.469 8.426 738 HZ3 LYS 97 3HZ LYS 97 11.003 10.759 10.009 739 H SER 98 H SER 98 4.743 7.237 10.137 740 HA SER 98 HA SER 98 4.783 4.506 10.845 741 HB2 SER 98 1HB SER 98 2.801 4.920 11.936 742 HB3 SER 98 2HB SER 98 3.379 6.576 11.757 743 HG SER 98 HG SER 98 2.129 6.501 9.694 744 H ILE 99 H ILE 99 3.878 6.120 7.961 745 HA ILE 99 HA ILE 99 2.269 3.881 7.003 746 HB ILE 99 HB ILE 99 2.966 6.497 5.663 747 HG12 ILE 99 1HG1 ILE 99 0.378 5.552 6.915 748 HG13 ILE 99 2HG1 ILE 99 1.487 6.713 7.635 749 HG21 ILE 99 1HG2 ILE 99 1.657 5.905 3.857 750 HG22 ILE 99 2HG2 ILE 99 2.448 4.379 4.246 751 HG23 ILE 99 3HG2 ILE 99 0.786 4.666 4.760 752 HD11 ILE 99 1HD1 ILE 99 -0.522 7.072 5.545 753 HD12 ILE 99 2HD1 ILE 99 0.156 8.231 6.687 754 HD13 ILE 99 3HD1 ILE 99 1.030 7.837 5.207 755 H ILE 100 H ILE 100 5.202 5.661 6.055 756 HA ILE 100 HA ILE 100 5.963 4.231 3.843 757 HB ILE 100 HB ILE 100 7.732 5.360 6.012 758 HG12 ILE 100 1HG1 ILE 100 7.377 6.556 3.296 759 HG13 ILE 100 2HG1 ILE 100 6.097 6.776 4.485 760 HG21 ILE 100 1HG2 ILE 100 8.793 3.572 4.573 761 HG22 ILE 100 2HG2 ILE 100 8.573 4.668 3.210 762 HG23 ILE 100 3HG2 ILE 100 9.590 5.145 4.568 763 HD11 ILE 100 1HD1 ILE 100 7.468 8.007 5.904 764 HD12 ILE 100 2HD1 ILE 100 8.944 7.434 5.127 765 HD13 ILE 100 3HD1 ILE 100 7.895 8.577 4.291 766 H THR 101 H THR 101 6.293 3.332 7.225 767 HA THR 101 HA THR 101 7.952 1.060 6.768 768 HB THR 101 HB THR 101 6.137 1.527 9.138 769 HG1 THR 101 1HG THR 101 8.866 2.255 9.049 770 HG21 THR 101 1HG2 THR 101 7.660 -0.662 8.508 771 HG22 THR 101 2HG2 THR 101 7.178 -0.195 10.139 772 HG23 THR 101 3HG2 THR 101 8.758 0.280 9.516 773 H TYR 102 H TYR 102 4.471 1.558 7.070 774 HA TYR 102 HA TYR 102 3.791 -1.205 7.057 775 HB2 TYR 102 1HB TYR 102 2.331 0.665 7.909 776 HB3 TYR 102 2HB TYR 102 2.027 1.107 6.233 777 HD1 TYR 102 2HD TYR 102 1.340 -1.084 4.751 778 HD2 TYR 102 1HD TYR 102 0.672 -0.562 8.921 779 HE1 TYR 102 2HE TYR 102 -0.503 -2.709 4.653 780 HE2 TYR 102 1HE TYR 102 -1.173 -2.186 8.834 781 HH TYR 102 HH TYR 102 -2.000 -3.963 7.502 782 H VAL 103 H VAL 103 3.302 1.295 4.555 783 HA VAL 103 HA VAL 103 2.537 -0.351 2.480 784 HB VAL 103 HB VAL 103 2.426 2.065 2.288 785 HG11 VAL 103 1HG1 VAL 103 5.340 1.851 2.727 786 HG12 VAL 103 2HG1 VAL 103 4.805 3.079 1.579 787 HG13 VAL 103 3HG1 VAL 103 4.202 3.098 3.237 788 HG21 VAL 103 1HG2 VAL 103 4.246 1.749 0.073 789 HG22 VAL 103 2HG2 VAL 103 3.250 0.309 0.281 790 HG23 VAL 103 3HG2 VAL 103 2.488 1.886 0.069 791 H ALA 104 H ALA 104 5.692 0.107 3.842 792 HA ALA 104 HA ALA 104 7.285 -0.774 1.708 793 HB1 ALA 104 1HB ALA 104 8.977 -1.275 3.429 794 HB2 ALA 104 2HB ALA 104 8.250 0.319 3.635 795 HB3 ALA 104 3HB ALA 104 7.756 -1.015 4.675 796 H THR 105 H THR 105 5.341 -2.510 4.022 797 HA THR 105 HA THR 105 6.502 -5.064 3.713 798 HB THR 105 HB THR 105 4.507 -5.957 4.730 799 HG1 THR 105 1HG THR 105 3.385 -3.457 3.990 800 HG21 THR 105 1HG2 THR 105 4.239 -4.275 6.664 801 HG22 THR 105 2HG2 THR 105 5.459 -3.325 5.816 802 HG23 THR 105 3HG2 THR 105 5.839 -4.955 6.370 803 H TYR 106 H TYR 106 3.773 -3.483 2.084 804 HA TYR 106 HA TYR 106 2.907 -5.608 0.522 805 HB2 TYR 106 1HB TYR 106 2.856 -2.630 0.128 806 HB3 TYR 106 2HB TYR 106 2.244 -3.707 -1.123 807 HD1 TYR 106 1HD TYR 106 1.954 -4.349 2.501 808 HD2 TYR 106 2HD TYR 106 -0.043 -3.045 -1.022 809 HE1 TYR 106 1HE TYR 106 -0.201 -4.485 3.680 810 HE2 TYR 106 2HE TYR 106 -2.203 -3.177 0.147 811 HH TYR 106 HH TYR 106 -2.455 -3.522 3.512 812 H TYR 107 H TYR 107 5.573 -3.370 0.011 813 HA TYR 107 HA TYR 107 6.156 -4.393 -2.625 814 HB2 TYR 107 1HB TYR 107 6.671 -2.103 -2.331 815 HB3 TYR 107 2HB TYR 107 7.509 -2.403 -0.811 816 HD1 TYR 107 2HD TYR 107 7.753 -3.530 -4.374 817 HD2 TYR 107 1HD TYR 107 9.800 -2.225 -0.880 818 HE1 TYR 107 2HE TYR 107 9.890 -3.659 -5.585 819 HE2 TYR 107 1HE TYR 107 11.943 -2.350 -2.082 820 HH TYR 107 HH TYR 107 12.228 -3.832 -5.180 821 H HIS 108 H HIS 108 7.844 -4.403 0.516 822 HA HIS 108 HA HIS 108 10.008 -5.970 -0.132 823 HB2 HIS 108 1HB HIS 108 9.205 -4.849 2.143 824 HB3 HIS 108 2HB HIS 108 8.677 -6.494 2.484 825 HD1 HIS 108 1HD HIS 108 10.526 -8.300 2.755 826 HD2 HIS 108 2HD HIS 108 11.961 -4.444 2.172 827 HE1 HIS 108 1HE HIS 108 12.967 -8.394 3.352 828 HE2 HIS 108 2HE HIS 108 13.795 -6.031 3.072 829 H TYR 109 H TYR 109 6.900 -7.139 1.169 830 HA TYR 109 HA TYR 109 7.431 -9.856 1.078 831 HB2 TYR 109 1HB TYR 109 5.465 -9.091 2.198 832 HB3 TYR 109 2HB TYR 109 4.838 -8.350 0.731 833 HD1 TYR 109 2HD TYR 109 5.518 -11.579 2.394 834 HD2 TYR 109 1HD TYR 109 3.580 -9.610 -0.842 835 HE1 TYR 109 2HE TYR 109 4.279 -13.642 1.889 836 HE2 TYR 109 1HE TYR 109 2.335 -11.668 -1.356 837 HH TYR 109 HH TYR 109 2.752 -14.604 0.601 838 H PHE 110 H PHE 110 5.347 -8.216 -1.301 839 HA PHE 110 HA PHE 110 5.244 -10.156 -3.211 840 HB2 PHE 110 1HB PHE 110 5.107 -7.186 -3.305 841 HB3 PHE 110 2HB PHE 110 5.278 -8.035 -4.839 842 HD1 PHE 110 2HD PHE 110 3.677 -10.394 -4.552 843 HD2 PHE 110 1HD PHE 110 2.939 -6.460 -3.104 844 HE1 PHE 110 2HE PHE 110 1.259 -10.844 -4.572 845 HE2 PHE 110 1HE PHE 110 0.519 -6.905 -3.121 846 HZ PHE 110 HZ PHE 110 -0.324 -9.098 -3.857 847 H SER 111 H SER 111 7.890 -7.956 -2.563 848 HA SER 111 HA SER 111 9.369 -8.454 -4.924 849 HB2 SER 111 1HB SER 111 9.708 -6.527 -3.317 850 HB3 SER 111 2HB SER 111 10.513 -7.667 -2.239 851 HG SER 111 HG SER 111 11.667 -6.333 -4.088 852 H LYS 112 H LYS 112 9.872 -9.665 -1.605 853 HA LYS 112 HA LYS 112 11.920 -11.355 -1.834 854 HB2 LYS 112 1HB LYS 112 9.271 -11.967 -0.519 855 HB3 LYS 112 2HB LYS 112 10.723 -12.928 -0.280 856 HG2 LYS 112 1HG LYS 112 11.747 -10.582 0.365 857 HG3 LYS 112 2HG LYS 112 10.057 -10.213 0.715 858 HD2 LYS 112 1HD LYS 112 11.258 -12.741 1.759 859 HD3 LYS 112 2HD LYS 112 11.605 -11.213 2.572 860 HE2 LYS 112 1HE LYS 112 8.789 -11.998 1.922 861 HE3 LYS 112 2HE LYS 112 9.589 -12.634 3.358 862 HZ1 LYS 112 1HZ LYS 112 10.127 -10.067 3.646 863 HZ2 LYS 112 2HZ LYS 112 8.713 -10.771 4.253 864 HZ3 LYS 112 3HZ LYS 112 8.677 -9.928 2.786 865 H MET 113 H MET 113 8.638 -12.123 -2.954 866 HA MET 113 HA MET 113 8.946 -14.710 -3.784 867 HB2 MET 113 1HB MET 113 7.376 -12.431 -4.955 868 HB3 MET 113 2HB MET 113 7.331 -14.030 -5.685 869 HG2 MET 113 1HG MET 113 6.628 -13.447 -2.819 870 HG3 MET 113 2HG MET 113 5.460 -13.573 -4.133 871 HE1 MET 113 1HE MET 113 4.596 -14.870 -2.170 872 HE2 MET 113 2HE MET 113 4.319 -16.546 -2.646 873 HE3 MET 113 3HE MET 113 5.486 -16.169 -1.377 874 H LYS 114 H LYS 114 8.998 -15.426 -6.175 875 HA LYS 114 HA LYS 114 10.264 -15.806 -8.027 876 HB2 LYS 114 1HB LYS 114 10.135 -12.839 -7.844 877 HB3 LYS 114 2HB LYS 114 11.303 -13.529 -8.964 878 HG2 LYS 114 1HG LYS 114 8.453 -14.430 -9.008 879 HG3 LYS 114 2HG LYS 114 8.937 -12.932 -9.807 880 HD2 LYS 114 1HD LYS 114 10.536 -15.382 -10.340 881 HD3 LYS 114 2HD LYS 114 8.937 -15.258 -11.078 882 HE2 LYS 114 1HE LYS 114 10.200 -14.266 -12.704 883 HE3 LYS 114 2HE LYS 114 9.799 -12.854 -11.727 884 HZ1 LYS 114 1HZ LYS 114 11.911 -12.714 -10.896 885 HZ2 LYS 114 2HZ LYS 114 12.244 -13.308 -12.443 886 HZ3 LYS 114 3HZ LYS 114 12.245 -14.358 -11.116 887 H ALA 115 H ALA 115 11.544 -16.245 -5.594 888 HA ALA 115 HA ALA 115 14.296 -16.084 -6.433 889 HB1 ALA 115 1HB ALA 115 13.736 -13.903 -5.200 890 HB2 ALA 115 2HB ALA 115 13.700 -14.899 -3.745 891 HB3 ALA 115 3HB ALA 115 15.176 -14.791 -4.705 892 H LEU 116 H LEU 116 15.719 -17.385 -5.104 893 HA LEU 116 HA LEU 116 14.472 -19.782 -4.227 894 HB2 LEU 116 1HB LEU 116 17.246 -18.747 -4.402 895 HB3 LEU 116 2HB LEU 116 16.952 -20.103 -3.316 896 HG LEU 116 HG LEU 116 17.755 -20.844 -5.502 897 HD11 LEU 116 1HD1 LEU 116 16.283 -22.621 -5.737 898 HD12 LEU 116 2HD1 LEU 116 14.874 -21.638 -5.343 899 HD13 LEU 116 3HD1 LEU 116 16.009 -22.098 -4.075 900 HD21 LEU 116 1HD2 LEU 116 15.586 -20.549 -7.194 901 HD22 LEU 116 2HD2 LEU 116 17.117 -19.677 -7.289 902 HD23 LEU 116 3HD2 LEU 116 15.748 -18.968 -6.430 903 H ALA 117 H ALA 117 13.582 -20.183 -2.322 904 HA ALA 117 HA ALA 117 14.809 -19.320 0.130 905 HB1 ALA 117 1HB ALA 117 13.175 -17.457 -0.903 906 HB2 ALA 117 2HB ALA 117 12.004 -18.412 0.007 907 HB3 ALA 117 3HB ALA 117 13.393 -17.704 0.829 908 H VAL 118 H VAL 118 13.427 -20.023 2.051 909 HA VAL 118 HA VAL 118 12.806 -22.767 1.755 910 HB VAL 118 HB VAL 118 11.799 -22.422 4.124 911 HG11 VAL 118 1HG1 VAL 118 14.648 -21.655 4.172 912 HG12 VAL 118 2HG1 VAL 118 13.821 -23.005 4.951 913 HG13 VAL 118 3HG1 VAL 118 14.246 -23.098 3.242 914 HG21 VAL 118 1HG2 VAL 118 13.455 -20.024 4.401 915 HG22 VAL 118 2HG2 VAL 118 11.987 -19.784 3.454 916 HG23 VAL 118 3HG2 VAL 118 11.882 -20.404 5.102 917 H GLU 119 H GLU 119 11.009 -23.675 1.025 918 HA GLU 119 HA GLU 119 8.816 -22.512 -0.013 919 HB2 GLU 119 1HB GLU 119 9.203 -25.143 1.340 920 HB3 GLU 119 2HB GLU 119 7.571 -24.666 0.894 921 HG2 GLU 119 1HG GLU 119 7.984 -24.812 -1.341 922 HG3 GLU 119 2HG GLU 119 9.701 -24.451 -1.162 923 H GLY 120 H GLY 120 8.939 -23.685 3.359 924 HA2 GLY 120 1HA GLY 120 7.469 -23.249 5.105 925 HA3 GLY 120 2HA GLY 120 7.964 -21.604 4.736 926 H LYS 121 H LYS 121 5.651 -24.081 3.646 927 HA LYS 121 HA LYS 121 3.682 -21.918 3.270 928 HB2 LYS 121 1HB LYS 121 4.423 -23.000 1.148 929 HB3 LYS 121 2HB LYS 121 3.811 -24.533 1.756 930 HG2 LYS 121 1HG LYS 121 1.974 -22.193 1.650 931 HG3 LYS 121 2HG LYS 121 2.374 -23.041 0.155 932 HD2 LYS 121 1HD LYS 121 1.730 -25.177 1.374 933 HD3 LYS 121 2HD LYS 121 1.042 -24.135 2.622 934 HE2 LYS 121 1HE LYS 121 -0.629 -23.357 1.238 935 HE3 LYS 121 2HE LYS 121 0.286 -23.692 -0.230 936 HZ1 LYS 121 1HZ LYS 121 -0.136 -26.009 0.004 937 HZ2 LYS 121 2HZ LYS 121 -1.619 -25.209 0.153 938 HZ3 LYS 121 3HZ LYS 121 -0.835 -25.801 1.530 939 H SER 122 H SER 122 1.949 -22.023 4.531 940 HA SER 122 HA SER 122 1.388 -24.550 5.926 941 HB2 SER 122 1HB SER 122 0.943 -21.668 6.652 942 HB3 SER 122 2HB SER 122 -0.002 -22.939 7.427 943 HG SER 122 HG SER 122 2.753 -23.305 7.310 944 H GLY 123 H GLY 123 -0.189 -21.844 4.254 945 HA2 GLY 123 1HA GLY 123 -1.893 -22.528 2.583 946 HA3 GLY 123 2HA GLY 123 -2.517 -23.614 3.817 947 HA PRO 124 HA PRO 124 -4.757 -19.472 3.884 948 HB2 PRO 124 1HB PRO 124 -7.216 -20.442 3.265 949 HB3 PRO 124 2HB PRO 124 -6.056 -19.911 2.041 950 HG2 PRO 124 1HG PRO 124 -6.684 -22.684 2.981 951 HG3 PRO 124 2HG PRO 124 -6.429 -22.094 1.328 952 HD2 PRO 124 1HD PRO 124 -4.507 -23.395 2.724 953 HD3 PRO 124 2HD PRO 124 -4.133 -22.130 1.536 954 H SER 125 H SER 125 -6.286 -18.805 5.464 955 HA SER 125 HA SER 125 -6.161 -20.219 7.898 956 HB2 SER 125 1HB SER 125 -6.600 -17.672 7.382 957 HB3 SER 125 2HB SER 125 -8.292 -18.169 7.419 958 HG SER 125 HG SER 125 -6.903 -17.537 9.469 959 H SER 126 H SER 126 -7.329 -21.861 8.627 960 HA SER 126 HA SER 126 -10.022 -22.287 7.518 961 HB2 SER 126 1HB SER 126 -9.587 -24.743 7.641 962 HB3 SER 126 2HB SER 126 -8.563 -23.913 6.470 963 HG SER 126 HG SER 126 -7.495 -25.451 7.930 964 H GLY 127 H GLY 127 -11.564 -23.148 8.921 965 HA2 GLY 127 1HA GLY 127 -10.885 -22.831 11.757 966 HA3 GLY 127 2HA GLY 127 -12.505 -22.809 11.076 Start of MODEL 15 1 H1 GLY 1 H GLY 1 20.943 11.558 -8.020 2 HA2 GLY 1 1HA GLY 1 22.883 10.879 -9.554 3 HA3 GLY 1 2HA GLY 1 23.601 12.381 -8.992 4 H SER 2 H SER 2 21.974 9.569 -7.515 5 HA SER 2 HA SER 2 23.996 9.623 -5.388 6 HB2 SER 2 1HB SER 2 21.299 8.250 -5.503 7 HB3 SER 2 2HB SER 2 22.412 8.177 -4.137 8 HG SER 2 HG SER 2 20.927 10.360 -5.110 9 H SER 3 H SER 3 24.431 7.331 -4.467 10 HA SER 3 HA SER 3 25.036 5.553 -6.739 11 HB2 SER 3 1HB SER 3 27.019 4.818 -5.533 12 HB3 SER 3 2HB SER 3 27.039 6.576 -5.680 13 HG SER 3 HG SER 3 26.822 4.988 -3.436 14 H GLY 4 H GLY 4 24.175 5.658 -3.302 15 HA2 GLY 4 1HA GLY 4 22.305 3.589 -3.444 16 HA3 GLY 4 2HA GLY 4 23.838 2.873 -2.967 17 H SER 5 H SER 5 21.119 4.706 -1.968 18 HA SER 5 HA SER 5 22.308 5.047 0.706 19 HB2 SER 5 1HB SER 5 20.113 6.617 -0.661 20 HB3 SER 5 2HB SER 5 20.542 6.805 1.040 21 HG SER 5 HG SER 5 22.567 7.517 0.428 22 H SER 6 H SER 6 20.994 4.601 2.538 23 HA SER 6 HA SER 6 18.594 2.990 2.015 24 HB2 SER 6 1HB SER 6 19.295 1.218 3.405 25 HB3 SER 6 2HB SER 6 20.718 1.596 2.433 26 HG SER 6 HG SER 6 20.411 1.692 5.107 27 H GLY 7 H GLY 7 18.599 5.659 2.801 28 HA2 GLY 7 1HA GLY 7 17.670 5.434 5.597 29 HA3 GLY 7 2HA GLY 7 18.531 6.848 5.007 30 H ALA 8 H ALA 8 17.368 7.437 2.665 31 HA ALA 8 HA ALA 8 14.922 8.629 3.457 32 HB1 ALA 8 1HB ALA 8 16.706 8.758 1.199 33 HB2 ALA 8 2HB ALA 8 15.023 8.732 0.672 34 HB3 ALA 8 3HB ALA 8 15.572 9.966 1.807 35 H LYS 9 H LYS 9 13.085 8.443 1.582 36 HA LYS 9 HA LYS 9 12.476 5.581 1.265 37 HB2 LYS 9 1HB LYS 9 10.014 6.423 1.621 38 HB3 LYS 9 2HB LYS 9 11.036 6.048 3.002 39 HG2 LYS 9 1HG LYS 9 10.102 8.061 3.610 40 HG3 LYS 9 2HG LYS 9 11.647 8.563 2.919 41 HD2 LYS 9 1HD LYS 9 9.341 8.370 1.068 42 HD3 LYS 9 2HD LYS 9 9.320 9.690 2.239 43 HE2 LYS 9 1HE LYS 9 11.827 9.952 1.391 44 HE3 LYS 9 2HE LYS 9 11.146 9.197 -0.048 45 HZ1 LYS 9 1HZ LYS 9 9.449 11.261 0.897 46 HZ2 LYS 9 2HZ LYS 9 10.189 11.098 -0.615 47 HZ3 LYS 9 3HZ LYS 9 11.011 11.860 0.652 48 H ASP 10 H ASP 10 13.582 7.437 -0.647 49 HA ASP 10 HA ASP 10 11.543 8.345 -2.417 50 HB2 ASP 10 1HB ASP 10 14.477 7.828 -2.943 51 HB3 ASP 10 2HB ASP 10 13.390 8.714 -4.008 52 H ALA 11 H ALA 11 13.638 5.489 -2.340 53 HA ALA 11 HA ALA 11 12.927 4.359 -4.780 54 HB1 ALA 11 1HB ALA 11 14.756 3.604 -3.228 55 HB2 ALA 11 2HB ALA 11 13.512 2.783 -2.284 56 HB3 ALA 11 3HB ALA 11 13.802 2.312 -3.959 57 H LEU 12 H LEU 12 11.420 3.941 -1.589 58 HA LEU 12 HA LEU 12 9.467 2.084 -2.373 59 HB2 LEU 12 1HB LEU 12 10.096 2.603 -0.035 60 HB3 LEU 12 2HB LEU 12 9.277 4.155 -0.190 61 HG LEU 12 HG LEU 12 7.150 2.903 -0.592 62 HD11 LEU 12 1HD1 LEU 12 8.701 0.513 0.378 63 HD12 LEU 12 2HD1 LEU 12 8.284 0.794 -1.312 64 HD13 LEU 12 3HD1 LEU 12 7.009 0.575 -0.113 65 HD21 LEU 12 1HD2 LEU 12 7.350 1.890 1.924 66 HD22 LEU 12 2HD2 LEU 12 7.040 3.584 1.543 67 HD23 LEU 12 3HD2 LEU 12 8.681 3.047 1.904 68 H LEU 13 H LEU 13 9.334 5.625 -2.130 69 HA LEU 13 HA LEU 13 6.690 6.056 -2.766 70 HB2 LEU 13 1HB LEU 13 8.251 7.819 -2.106 71 HB3 LEU 13 2HB LEU 13 9.072 7.675 -3.659 72 HG LEU 13 HG LEU 13 6.989 8.431 -4.775 73 HD11 LEU 13 1HD1 LEU 13 5.574 9.720 -2.822 74 HD12 LEU 13 2HD1 LEU 13 5.979 8.189 -2.047 75 HD13 LEU 13 3HD1 LEU 13 5.114 8.198 -3.583 76 HD21 LEU 13 1HD2 LEU 13 7.880 10.394 -2.676 77 HD22 LEU 13 2HD2 LEU 13 7.306 10.729 -4.309 78 HD23 LEU 13 3HD2 LEU 13 8.873 9.956 -4.066 79 H LEU 14 H LEU 14 9.420 5.742 -5.026 80 HA LEU 14 HA LEU 14 7.991 6.075 -7.397 81 HB2 LEU 14 1HB LEU 14 10.340 6.135 -7.508 82 HB3 LEU 14 2HB LEU 14 10.496 4.559 -6.736 83 HG LEU 14 HG LEU 14 9.560 3.515 -8.779 84 HD11 LEU 14 1HD1 LEU 14 9.577 6.362 -9.724 85 HD12 LEU 14 2HD1 LEU 14 8.264 5.186 -9.779 86 HD13 LEU 14 3HD1 LEU 14 9.655 5.006 -10.848 87 HD21 LEU 14 1HD2 LEU 14 12.092 4.215 -8.277 88 HD22 LEU 14 2HD2 LEU 14 11.840 5.111 -9.776 89 HD23 LEU 14 3HD2 LEU 14 11.603 3.363 -9.743 90 H TRP 15 H TRP 15 8.628 3.153 -5.505 91 HA TRP 15 HA TRP 15 7.651 1.225 -7.220 92 HB2 TRP 15 1HB TRP 15 8.735 0.881 -4.953 93 HB3 TRP 15 2HB TRP 15 7.159 1.214 -4.241 94 HD1 TRP 15 HD TRP 15 8.861 -1.354 -6.573 95 HE1 TRP 15 1HE TRP 15 7.580 -3.579 -6.382 96 HE3 TRP 15 3HE TRP 15 5.031 0.170 -3.549 97 HZ2 TRP 15 2HZ TRP 15 5.255 -4.558 -5.118 98 HZ3 TRP 15 3HZ TRP 15 3.319 -1.472 -2.896 99 HH2 TRP 15 HH TRP 15 3.430 -3.786 -3.666 100 H CYS 16 H CYS 16 5.777 2.812 -4.626 101 HA CYS 16 HA CYS 16 3.295 1.775 -5.263 102 HB2 CYS 16 1HB CYS 16 4.121 3.350 -3.304 103 HB3 CYS 16 2HB CYS 16 3.470 4.612 -4.344 104 HG CYS 16 HG CYS 16 1.017 4.310 -3.661 105 H GLN 17 H GLN 17 4.793 4.772 -6.443 106 HA GLN 17 HA GLN 17 2.673 5.674 -8.013 107 HB2 GLN 17 1HB GLN 17 5.653 6.041 -8.265 108 HB3 GLN 17 2HB GLN 17 4.517 6.823 -9.355 109 HG2 GLN 17 1HG GLN 17 3.420 7.645 -7.124 110 HG3 GLN 17 2HG GLN 17 5.022 7.316 -6.466 111 HE21 GLN 17 1HE2 GLN 17 3.861 9.857 -6.556 112 HE22 GLN 17 2HE2 GLN 17 4.792 10.847 -7.623 113 H MET 18 H MET 18 5.187 3.314 -8.692 114 HA MET 18 HA MET 18 4.685 3.079 -11.470 115 HB2 MET 18 1HB MET 18 6.026 1.295 -9.452 116 HB3 MET 18 2HB MET 18 5.835 0.804 -11.130 117 HG2 MET 18 1HG MET 18 6.936 3.159 -11.576 118 HG3 MET 18 2HG MET 18 7.563 2.904 -9.949 119 HE1 MET 18 1HE MET 18 10.006 1.330 -9.678 120 HE2 MET 18 2HE MET 18 8.435 0.672 -9.218 121 HE3 MET 18 3HE MET 18 9.557 -0.303 -10.169 122 H LYS 19 H LYS 19 3.600 1.179 -8.670 123 HA LYS 19 HA LYS 19 2.033 -0.644 -10.165 124 HB2 LYS 19 1HB LYS 19 1.661 0.156 -7.274 125 HB3 LYS 19 2HB LYS 19 1.103 -1.327 -8.038 126 HG2 LYS 19 1HG LYS 19 3.974 -0.525 -7.610 127 HG3 LYS 19 2HG LYS 19 3.075 -1.734 -6.688 128 HD2 LYS 19 1HD LYS 19 2.681 -2.822 -9.021 129 HD3 LYS 19 2HD LYS 19 4.072 -1.850 -9.506 130 HE2 LYS 19 1HE LYS 19 5.455 -2.897 -7.854 131 HE3 LYS 19 2HE LYS 19 4.071 -3.732 -7.152 132 HZ1 LYS 19 1HZ LYS 19 5.608 -4.368 -9.534 133 HZ2 LYS 19 2HZ LYS 19 3.937 -4.598 -9.656 134 HZ3 LYS 19 3HZ LYS 19 4.816 -5.396 -8.450 135 H THR 20 H THR 20 1.042 2.106 -8.117 136 HA THR 20 HA THR 20 -1.659 2.089 -8.644 137 HB THR 20 HB THR 20 -1.607 4.567 -8.231 138 HG1 THR 20 1HG THR 20 1.124 4.341 -7.617 139 HG21 THR 20 1HG2 THR 20 0.000 2.892 -6.296 140 HG22 THR 20 2HG2 THR 20 -1.761 2.939 -6.390 141 HG23 THR 20 3HG2 THR 20 -0.864 4.382 -5.918 142 H ALA 21 H ALA 21 0.944 3.070 -10.719 143 HA ALA 21 HA ALA 21 -0.015 4.808 -12.508 144 HB1 ALA 21 1HB ALA 21 1.380 3.888 -14.138 145 HB2 ALA 21 2HB ALA 21 2.124 3.402 -12.614 146 HB3 ALA 21 3HB ALA 21 1.160 2.246 -13.532 147 H GLY 22 H GLY 22 -1.673 5.024 -13.885 148 HA2 GLY 22 1HA GLY 22 -3.089 3.966 -15.594 149 HA3 GLY 22 2HA GLY 22 -3.279 2.617 -14.484 150 H TYR 23 H TYR 23 -3.688 4.159 -12.121 151 HA TYR 23 HA TYR 23 -6.463 4.913 -12.582 152 HB2 TYR 23 1HB TYR 23 -5.111 4.865 -9.898 153 HB3 TYR 23 2HB TYR 23 -6.811 4.615 -10.280 154 HD1 TYR 23 1HD TYR 23 -7.297 2.506 -11.801 155 HD2 TYR 23 2HD TYR 23 -3.810 3.016 -9.416 156 HE1 TYR 23 1HE TYR 23 -6.943 0.072 -11.807 157 HE2 TYR 23 2HE TYR 23 -3.446 0.584 -9.417 158 HH TYR 23 HH TYR 23 -4.303 -1.405 -9.964 159 HA PRO 24 HA PRO 24 -5.301 9.214 -12.647 160 HB2 PRO 24 1HB PRO 24 -7.827 10.173 -12.905 161 HB3 PRO 24 2HB PRO 24 -6.926 9.468 -14.251 162 HG2 PRO 24 1HG PRO 24 -9.021 8.221 -12.514 163 HG3 PRO 24 2HG PRO 24 -8.814 8.110 -14.272 164 HD2 PRO 24 1HD PRO 24 -8.019 6.146 -12.586 165 HD3 PRO 24 2HD PRO 24 -7.170 6.502 -14.104 166 H ASN 25 H ASN 25 -7.866 7.892 -10.596 167 HA ASN 25 HA ASN 25 -8.022 10.130 -8.854 168 HB2 ASN 25 1HB ASN 25 -8.976 7.288 -8.725 169 HB3 ASN 25 2HB ASN 25 -9.080 8.318 -7.300 170 HD21 ASN 25 1HD2 ASN 25 -10.095 7.948 -10.635 171 HD22 ASN 25 2HD2 ASN 25 -11.502 8.944 -10.513 172 H VAL 26 H VAL 26 -6.254 7.070 -8.749 173 HA VAL 26 HA VAL 26 -5.168 7.446 -6.152 174 HB VAL 26 HB VAL 26 -4.102 5.750 -8.415 175 HG11 VAL 26 1HG1 VAL 26 -2.399 6.074 -6.761 176 HG12 VAL 26 2HG1 VAL 26 -3.535 5.736 -5.454 177 HG13 VAL 26 3HG1 VAL 26 -3.056 4.450 -6.564 178 HG21 VAL 26 1HG2 VAL 26 -6.461 5.501 -6.821 179 HG22 VAL 26 2HG2 VAL 26 -5.862 4.432 -8.090 180 HG23 VAL 26 3HG2 VAL 26 -5.348 4.193 -6.420 181 H ASN 27 H ASN 27 -3.400 8.507 -5.475 182 HA ASN 27 HA ASN 27 -1.341 9.319 -7.349 183 HB2 ASN 27 1HB ASN 27 -3.215 11.096 -7.299 184 HB3 ASN 27 2HB ASN 27 -2.625 11.472 -5.682 185 HD21 ASN 27 1HD2 ASN 27 -1.803 11.387 -9.080 186 HD22 ASN 27 2HD2 ASN 27 -0.487 12.502 -8.986 187 H VAL 28 H VAL 28 0.502 8.825 -6.380 188 HA VAL 28 HA VAL 28 0.642 8.918 -3.446 189 HB VAL 28 HB VAL 28 2.696 7.616 -5.210 190 HG11 VAL 28 1HG1 VAL 28 3.563 6.818 -3.307 191 HG12 VAL 28 2HG1 VAL 28 2.602 8.068 -2.514 192 HG13 VAL 28 3HG1 VAL 28 1.979 6.422 -2.642 193 HG21 VAL 28 1HG2 VAL 28 1.515 5.577 -5.231 194 HG22 VAL 28 2HG2 VAL 28 0.319 6.165 -4.076 195 HG23 VAL 28 3HG2 VAL 28 0.343 6.801 -5.720 196 H HIS 29 H HIS 29 0.781 11.376 -4.143 197 HA HIS 29 HA HIS 29 3.317 12.308 -5.056 198 HB2 HIS 29 1HB HIS 29 0.840 13.552 -3.969 199 HB3 HIS 29 2HB HIS 29 2.324 14.498 -3.895 200 HD1 HIS 29 1HD HIS 29 0.026 15.442 -5.666 201 HD2 HIS 29 2HD HIS 29 3.119 13.015 -7.007 202 HE1 HIS 29 1HE HIS 29 0.119 15.785 -8.156 203 HE2 HIS 29 2HE HIS 29 1.942 14.241 -8.956 204 H ASN 30 H ASN 30 1.883 11.715 -1.909 205 HA ASN 30 HA ASN 30 4.524 12.024 -0.697 206 HB2 ASN 30 1HB ASN 30 3.151 13.129 1.292 207 HB3 ASN 30 2HB ASN 30 3.812 14.099 -0.021 208 HD21 ASN 30 1HD2 ASN 30 0.922 12.098 0.493 209 HD22 ASN 30 2HD2 ASN 30 -0.203 13.281 -0.074 210 H PHE 31 H PHE 31 4.266 11.386 1.773 211 HA PHE 31 HA PHE 31 2.804 8.836 1.776 212 HB2 PHE 31 1HB PHE 31 5.248 9.753 3.292 213 HB3 PHE 31 2HB PHE 31 4.385 8.269 3.681 214 HD1 PHE 31 2HD PHE 31 4.357 6.398 2.091 215 HD2 PHE 31 1HD PHE 31 6.657 9.909 1.378 216 HE1 PHE 31 2HE PHE 31 5.657 5.196 0.382 217 HE2 PHE 31 1HE PHE 31 7.959 8.712 -0.332 218 HZ PHE 31 HZ PHE 31 7.461 6.352 -0.831 219 H THR 32 H THR 32 1.639 11.463 2.394 220 HA THR 32 HA THR 32 0.731 10.863 5.129 221 HB THR 32 HB THR 32 0.443 13.336 5.474 222 HG1 THR 32 1HG THR 32 2.161 13.513 3.205 223 HG21 THR 32 1HG2 THR 32 2.435 11.897 6.246 224 HG22 THR 32 2HG2 THR 32 2.623 13.650 6.263 225 HG23 THR 32 3HG2 THR 32 3.332 12.699 4.958 226 H THR 33 H THR 33 -0.161 13.305 2.701 227 HA THR 33 HA THR 33 -2.962 12.705 3.095 228 HB THR 33 HB THR 33 -3.385 14.565 1.551 229 HG1 THR 33 1HG THR 33 -1.521 15.735 0.769 230 HG21 THR 33 1HG2 THR 33 -2.197 16.363 2.869 231 HG22 THR 33 2HG2 THR 33 -1.358 15.069 3.725 232 HG23 THR 33 3HG2 THR 33 -3.114 15.202 3.828 233 H SER 34 H SER 34 -1.335 10.622 1.908 234 HA SER 34 HA SER 34 -2.636 10.432 -0.731 235 HB2 SER 34 1HB SER 34 -0.242 10.594 -1.045 236 HB3 SER 34 2HB SER 34 0.040 9.327 0.149 237 HG SER 34 HG SER 34 -1.277 7.976 -1.329 238 H TRP 35 H TRP 35 -1.865 8.866 2.283 239 HA TRP 35 HA TRP 35 -3.424 6.510 1.453 240 HB2 TRP 35 1HB TRP 35 -1.631 6.635 3.871 241 HB3 TRP 35 2HB TRP 35 -2.238 5.211 3.032 242 HD1 TRP 35 HD TRP 35 0.199 8.154 2.358 243 HE1 TRP 35 1HE TRP 35 2.077 7.290 0.824 244 HE3 TRP 35 3HE TRP 35 -1.526 3.409 1.558 245 HZ2 TRP 35 2HZ TRP 35 2.738 4.911 -0.545 246 HZ3 TRP 35 3HZ TRP 35 -0.213 1.902 0.124 247 HH2 TRP 35 HH TRP 35 1.875 2.640 -0.906 248 H ARG 36 H ARG 36 -4.015 9.316 2.811 249 HA ARG 36 HA ARG 36 -5.147 8.772 5.324 250 HB2 ARG 36 1HB ARG 36 -4.636 11.046 4.447 251 HB3 ARG 36 2HB ARG 36 -5.997 10.890 3.343 252 HG2 ARG 36 1HG ARG 36 -7.302 10.402 5.588 253 HG3 ARG 36 2HG ARG 36 -5.970 11.332 6.275 254 HD2 ARG 36 1HD ARG 36 -7.660 12.901 5.796 255 HD3 ARG 36 2HD ARG 36 -6.465 13.081 4.512 256 HE ARG 36 HE ARG 36 -8.228 11.334 3.455 257 HH11 ARG 36 1HH1 ARG 36 -8.583 14.445 4.977 258 HH12 ARG 36 2HH1 ARG 36 -9.990 14.877 4.064 259 HH21 ARG 36 1HH2 ARG 36 -10.081 11.891 2.246 260 HH22 ARG 36 2HH2 ARG 36 -10.843 13.423 2.512 261 H ASP 37 H ASP 37 -6.689 9.027 2.122 262 HA ASP 37 HA ASP 37 -9.267 8.287 3.020 263 HB2 ASP 37 1HB ASP 37 -9.730 7.898 0.590 264 HB3 ASP 37 2HB ASP 37 -9.042 9.480 0.944 265 H GLY 38 H GLY 38 -6.760 6.430 1.293 266 HA2 GLY 38 1HA GLY 38 -6.435 4.147 2.370 267 HA3 GLY 38 2HA GLY 38 -8.163 3.967 2.110 268 H LEU 39 H LEU 39 -8.162 5.296 -0.467 269 HA LEU 39 HA LEU 39 -8.102 3.295 -2.241 270 HB2 LEU 39 1HB LEU 39 -7.109 6.096 -2.734 271 HB3 LEU 39 2HB LEU 39 -7.512 4.944 -4.003 272 HG LEU 39 HG LEU 39 -9.487 5.951 -1.961 273 HD11 LEU 39 1HD1 LEU 39 -9.534 6.833 -4.798 274 HD12 LEU 39 2HD1 LEU 39 -8.397 7.610 -3.698 275 HD13 LEU 39 3HD1 LEU 39 -10.125 7.645 -3.349 276 HD21 LEU 39 1HD2 LEU 39 -9.797 3.719 -3.218 277 HD22 LEU 39 2HD2 LEU 39 -10.096 4.735 -4.629 278 HD23 LEU 39 3HD2 LEU 39 -11.128 4.877 -3.204 279 H ALA 40 H ALA 40 -5.254 5.376 -1.697 280 HA ALA 40 HA ALA 40 -3.365 4.325 -3.255 281 HB1 ALA 40 1HB ALA 40 -2.066 4.408 -0.772 282 HB2 ALA 40 2HB ALA 40 -2.158 5.687 -1.984 283 HB3 ALA 40 3HB ALA 40 -3.354 5.611 -0.689 284 H PHE 41 H PHE 41 -4.222 2.877 -0.110 285 HA PHE 41 HA PHE 41 -2.557 0.616 -0.406 286 HB2 PHE 41 1HB PHE 41 -4.935 1.201 1.347 287 HB3 PHE 41 2HB PHE 41 -4.106 -0.351 1.398 288 HD1 PHE 41 1HD PHE 41 -1.384 0.047 1.436 289 HD2 PHE 41 2HD PHE 41 -4.370 2.621 3.041 290 HE1 PHE 41 1HE PHE 41 0.268 0.980 3.003 291 HE2 PHE 41 2HE PHE 41 -2.723 3.559 4.610 292 HZ PHE 41 HZ PHE 41 -0.400 2.740 4.591 293 H ASN 42 H ASN 42 -5.961 1.195 -1.150 294 HA ASN 42 HA ASN 42 -6.478 -1.505 -1.946 295 HB2 ASN 42 1HB ASN 42 -8.040 1.035 -2.467 296 HB3 ASN 42 2HB ASN 42 -8.623 -0.595 -2.789 297 HD21 ASN 42 1HD2 ASN 42 -8.540 1.886 -0.585 298 HD22 ASN 42 2HD2 ASN 42 -9.040 1.017 0.821 299 H ALA 43 H ALA 43 -4.532 0.683 -3.304 300 HA ALA 43 HA ALA 43 -5.310 0.136 -6.077 301 HB1 ALA 43 1HB ALA 43 -3.997 1.953 -6.732 302 HB2 ALA 43 2HB ALA 43 -4.736 2.480 -5.219 303 HB3 ALA 43 3HB ALA 43 -3.060 1.932 -5.238 304 H ILE 44 H ILE 44 -2.618 -0.257 -3.821 305 HA ILE 44 HA ILE 44 -0.774 -1.382 -5.609 306 HB ILE 44 HB ILE 44 -1.048 -1.910 -2.648 307 HG12 ILE 44 1HG1 ILE 44 0.869 0.007 -3.952 308 HG13 ILE 44 2HG1 ILE 44 -0.759 0.511 -3.513 309 HG21 ILE 44 1HG2 ILE 44 1.304 -2.300 -4.496 310 HG22 ILE 44 2HG2 ILE 44 1.319 -2.524 -2.748 311 HG23 ILE 44 3HG2 ILE 44 0.336 -3.578 -3.763 312 HD11 ILE 44 1HD1 ILE 44 0.890 1.098 -1.808 313 HD12 ILE 44 2HD1 ILE 44 -0.321 -0.028 -1.193 314 HD13 ILE 44 3HD1 ILE 44 1.290 -0.608 -1.615 315 H VAL 45 H VAL 45 -3.033 -2.976 -3.362 316 HA VAL 45 HA VAL 45 -2.413 -5.612 -4.157 317 HB VAL 45 HB VAL 45 -4.977 -4.572 -2.942 318 HG11 VAL 45 1HG1 VAL 45 -5.760 -6.647 -3.029 319 HG12 VAL 45 2HG1 VAL 45 -4.341 -7.122 -3.965 320 HG13 VAL 45 3HG1 VAL 45 -4.322 -7.253 -2.206 321 HG21 VAL 45 1HG2 VAL 45 -3.985 -5.352 -0.812 322 HG22 VAL 45 2HG2 VAL 45 -2.475 -5.670 -1.665 323 HG23 VAL 45 3HG2 VAL 45 -3.090 -4.021 -1.544 324 H HIS 46 H HIS 46 -5.306 -3.659 -4.910 325 HA HIS 46 HA HIS 46 -6.672 -5.205 -6.610 326 HB2 HIS 46 1HB HIS 46 -7.238 -2.845 -6.086 327 HB3 HIS 46 2HB HIS 46 -5.995 -2.320 -7.217 328 HD1 HIS 46 1HD HIS 46 -6.776 -1.904 -9.529 329 HD2 HIS 46 2HD HIS 46 -9.330 -4.446 -7.463 330 HE1 HIS 46 1HE HIS 46 -8.715 -2.313 -11.077 331 HE2 HIS 46 2HE HIS 46 -10.287 -3.785 -9.773 332 H LYS 47 H LYS 47 -3.720 -3.450 -7.472 333 HA LYS 47 HA LYS 47 -3.655 -4.090 -10.193 334 HB2 LYS 47 1HB LYS 47 -2.190 -2.433 -8.932 335 HB3 LYS 47 2HB LYS 47 -1.215 -3.811 -8.440 336 HG2 LYS 47 1HG LYS 47 -0.115 -2.924 -10.299 337 HG3 LYS 47 2HG LYS 47 -0.982 -4.330 -10.919 338 HD2 LYS 47 1HD LYS 47 -2.585 -3.018 -11.991 339 HD3 LYS 47 2HD LYS 47 -2.214 -1.598 -11.010 340 HE2 LYS 47 1HE LYS 47 -0.171 -1.232 -12.162 341 HE3 LYS 47 2HE LYS 47 -0.256 -2.807 -12.951 342 HZ1 LYS 47 1HZ LYS 47 -1.539 -0.316 -13.663 343 HZ2 LYS 47 2HZ LYS 47 -2.544 -1.672 -13.759 344 HZ3 LYS 47 3HZ LYS 47 -1.099 -1.625 -14.639 345 H HIS 48 H HIS 48 -2.260 -5.793 -7.407 346 HA HIS 48 HA HIS 48 -1.200 -7.921 -9.006 347 HB2 HIS 48 1HB HIS 48 -1.690 -7.998 -6.030 348 HB3 HIS 48 2HB HIS 48 -0.502 -8.911 -6.955 349 HD1 HIS 48 1HD HIS 48 1.026 -6.862 -8.450 350 HD2 HIS 48 2HD HIS 48 -0.308 -6.202 -4.572 351 HE1 HIS 48 1HE HIS 48 2.514 -5.058 -7.526 352 HE2 HIS 48 2HE HIS 48 1.743 -4.735 -5.150 353 H ARG 49 H ARG 49 -3.855 -7.746 -6.629 354 HA ARG 49 HA ARG 49 -5.119 -10.008 -8.033 355 HB2 ARG 49 1HB ARG 49 -5.111 -9.407 -5.070 356 HB3 ARG 49 2HB ARG 49 -6.107 -10.641 -5.829 357 HG2 ARG 49 1HG ARG 49 -3.183 -10.730 -6.317 358 HG3 ARG 49 2HG ARG 49 -3.776 -11.201 -4.723 359 HD2 ARG 49 1HD ARG 49 -3.588 -13.136 -6.192 360 HD3 ARG 49 2HD ARG 49 -5.269 -12.833 -5.757 361 HE ARG 49 HE ARG 49 -5.718 -12.248 -7.957 362 HH11 ARG 49 1HH1 ARG 49 -2.313 -12.800 -7.489 363 HH12 ARG 49 2HH1 ARG 49 -1.956 -12.854 -9.184 364 HH21 ARG 49 1HH2 ARG 49 -5.261 -12.316 -10.191 365 HH22 ARG 49 2HH2 ARG 49 -3.633 -12.576 -10.720 366 HA PRO 50 HA PRO 50 -8.007 -6.456 -8.351 367 HB2 PRO 50 1HB PRO 50 -8.983 -7.202 -10.772 368 HB3 PRO 50 2HB PRO 50 -7.500 -6.260 -10.583 369 HG2 PRO 50 1HG PRO 50 -7.830 -9.198 -11.052 370 HG3 PRO 50 2HG PRO 50 -6.679 -8.069 -11.791 371 HD2 PRO 50 1HD PRO 50 -5.993 -9.733 -9.767 372 HD3 PRO 50 2HD PRO 50 -5.263 -8.129 -9.974 373 H ASP 51 H ASP 51 -8.268 -9.675 -7.736 374 HA ASP 51 HA ASP 51 -11.157 -9.856 -8.094 375 HB2 ASP 51 1HB ASP 51 -9.807 -11.810 -8.688 376 HB3 ASP 51 2HB ASP 51 -9.166 -11.880 -7.049 377 H LEU 52 H LEU 52 -8.751 -9.892 -5.493 378 HA LEU 52 HA LEU 52 -10.304 -10.380 -3.298 379 HB2 LEU 52 1HB LEU 52 -8.125 -8.308 -3.520 380 HB3 LEU 52 2HB LEU 52 -8.742 -8.989 -2.017 381 HG LEU 52 HG LEU 52 -7.172 -10.422 -4.154 382 HD11 LEU 52 1HD1 LEU 52 -5.975 -10.741 -1.680 383 HD12 LEU 52 2HD1 LEU 52 -6.490 -9.055 -1.696 384 HD13 LEU 52 3HD1 LEU 52 -5.444 -9.669 -2.976 385 HD21 LEU 52 1HD2 LEU 52 -7.259 -12.257 -2.308 386 HD22 LEU 52 2HD2 LEU 52 -8.594 -12.095 -3.449 387 HD23 LEU 52 3HD2 LEU 52 -8.739 -11.432 -1.821 388 H LEU 53 H LEU 53 -9.601 -7.102 -4.529 389 HA LEU 53 HA LEU 53 -12.216 -6.255 -3.468 390 HB2 LEU 53 1HB LEU 53 -11.229 -4.051 -3.029 391 HB3 LEU 53 2HB LEU 53 -10.472 -5.334 -2.087 392 HG LEU 53 HG LEU 53 -9.223 -4.387 -4.640 393 HD11 LEU 53 1HD1 LEU 53 -9.797 -2.559 -2.775 394 HD12 LEU 53 2HD1 LEU 53 -8.316 -2.526 -3.731 395 HD13 LEU 53 3HD1 LEU 53 -8.297 -3.195 -2.100 396 HD21 LEU 53 1HD2 LEU 53 -8.611 -6.421 -2.954 397 HD22 LEU 53 2HD2 LEU 53 -7.627 -5.119 -2.285 398 HD23 LEU 53 3HD2 LEU 53 -7.442 -5.585 -3.978 399 H ASP 54 H ASP 54 -13.319 -4.625 -4.637 400 HA ASP 54 HA ASP 54 -12.543 -4.518 -7.469 401 HB2 ASP 54 1HB ASP 54 -15.234 -4.031 -6.175 402 HB3 ASP 54 2HB ASP 54 -14.908 -3.960 -7.905 403 H PHE 55 H PHE 55 -11.005 -2.817 -7.053 404 HA PHE 55 HA PHE 55 -11.346 -0.417 -5.839 405 HB2 PHE 55 1HB PHE 55 -9.372 -1.343 -7.285 406 HB3 PHE 55 2HB PHE 55 -10.141 -0.440 -8.584 407 HD1 PHE 55 1HD PHE 55 -9.093 0.056 -5.038 408 HD2 PHE 55 2HD PHE 55 -9.431 1.708 -8.946 409 HE1 PHE 55 1HE PHE 55 -7.978 2.108 -4.263 410 HE2 PHE 55 2HE PHE 55 -8.315 3.762 -8.178 411 HZ PHE 55 HZ PHE 55 -7.586 3.965 -5.835 412 H GLU 56 H GLU 56 -12.556 -1.319 -9.038 413 HA GLU 56 HA GLU 56 -13.519 1.155 -9.866 414 HB2 GLU 56 1HB GLU 56 -14.337 -1.670 -10.449 415 HB3 GLU 56 2HB GLU 56 -15.280 -0.333 -11.091 416 HG2 GLU 56 1HG GLU 56 -12.996 0.529 -11.960 417 HG3 GLU 56 2HG GLU 56 -12.475 -1.137 -11.713 418 H SER 57 H SER 57 -14.981 -1.260 -7.757 419 HA SER 57 HA SER 57 -17.511 0.052 -7.577 420 HB2 SER 57 1HB SER 57 -16.190 -2.144 -5.989 421 HB3 SER 57 2HB SER 57 -17.768 -1.495 -5.542 422 HG SER 57 HG SER 57 -18.124 -1.948 -7.989 423 H LEU 58 H LEU 58 -14.610 -0.043 -5.552 424 HA LEU 58 HA LEU 58 -15.566 1.400 -3.369 425 HB2 LEU 58 1HB LEU 58 -12.771 1.538 -4.478 426 HB3 LEU 58 2HB LEU 58 -13.276 1.836 -2.816 427 HG LEU 58 HG LEU 58 -13.480 -0.846 -4.176 428 HD11 LEU 58 1HD1 LEU 58 -11.397 -0.051 -2.167 429 HD12 LEU 58 2HD1 LEU 58 -11.126 0.092 -3.903 430 HD13 LEU 58 3HD1 LEU 58 -11.454 -1.486 -3.190 431 HD21 LEU 58 1HD2 LEU 58 -13.321 -0.558 -1.246 432 HD22 LEU 58 2HD2 LEU 58 -14.282 -1.660 -2.230 433 HD23 LEU 58 3HD2 LEU 58 -14.812 0.006 -2.001 434 H LYS 59 H LYS 59 -15.471 3.585 -2.800 435 HA LYS 59 HA LYS 59 -15.087 5.459 -5.042 436 HB2 LYS 59 1HB LYS 59 -17.491 5.112 -4.500 437 HB3 LYS 59 2HB LYS 59 -17.175 5.681 -2.866 438 HG2 LYS 59 1HG LYS 59 -17.868 7.639 -3.730 439 HG3 LYS 59 2HG LYS 59 -16.184 7.750 -4.248 440 HD2 LYS 59 1HD LYS 59 -18.075 6.339 -6.047 441 HD3 LYS 59 2HD LYS 59 -18.227 8.094 -5.927 442 HE2 LYS 59 1HE LYS 59 -15.624 6.686 -6.492 443 HE3 LYS 59 2HE LYS 59 -16.716 7.250 -7.758 444 HZ1 LYS 59 1HZ LYS 59 -15.487 9.105 -7.601 445 HZ2 LYS 59 2HZ LYS 59 -14.945 8.763 -6.035 446 HZ3 LYS 59 3HZ LYS 59 -16.473 9.450 -6.270 447 H LYS 60 H LYS 60 -13.822 7.177 -4.654 448 HA LYS 60 HA LYS 60 -12.003 7.372 -2.677 449 HB2 LYS 60 1HB LYS 60 -11.687 9.667 -3.238 450 HB3 LYS 60 2HB LYS 60 -12.197 8.850 -4.709 451 HG2 LYS 60 1HG LYS 60 -14.428 9.717 -4.480 452 HG3 LYS 60 2HG LYS 60 -14.031 10.421 -2.911 453 HD2 LYS 60 1HD LYS 60 -12.421 11.182 -5.307 454 HD3 LYS 60 2HD LYS 60 -14.016 11.900 -5.073 455 HE2 LYS 60 1HE LYS 60 -11.995 11.879 -2.861 456 HE3 LYS 60 2HE LYS 60 -11.946 13.115 -4.118 457 HZ1 LYS 60 1HZ LYS 60 -14.467 13.319 -3.485 458 HZ2 LYS 60 2HZ LYS 60 -13.278 14.129 -2.596 459 HZ3 LYS 60 3HZ LYS 60 -13.932 12.684 -2.011 460 H CYS 61 H CYS 61 -15.327 8.532 -2.516 461 HA CYS 61 HA CYS 61 -15.316 10.052 -0.244 462 HB2 CYS 61 1HB CYS 61 -17.289 9.424 -1.751 463 HB3 CYS 61 2HB CYS 61 -17.452 7.987 -0.751 464 HG CYS 61 HG CYS 61 -19.223 10.318 -0.200 465 H ASN 62 H ASN 62 -15.857 6.524 -0.314 466 HA ASN 62 HA ASN 62 -15.844 6.165 2.465 467 HB2 ASN 62 1HB ASN 62 -15.351 4.330 0.137 468 HB3 ASN 62 2HB ASN 62 -15.155 3.750 1.788 469 HD21 ASN 62 1HD2 ASN 62 -17.104 4.613 3.214 470 HD22 ASN 62 2HD2 ASN 62 -18.656 4.234 2.556 471 H ALA 63 H ALA 63 -14.259 6.369 3.890 472 HA ALA 63 HA ALA 63 -11.477 6.100 2.951 473 HB1 ALA 63 1HB ALA 63 -12.181 7.579 5.447 474 HB2 ALA 63 2HB ALA 63 -10.806 7.792 4.364 475 HB3 ALA 63 3HB ALA 63 -12.406 8.353 3.878 476 H HIS 64 H HIS 64 -13.353 5.824 5.979 477 HA HIS 64 HA HIS 64 -11.528 4.151 7.293 478 HB2 HIS 64 1HB HIS 64 -13.222 5.333 8.543 479 HB3 HIS 64 2HB HIS 64 -14.507 4.494 7.680 480 HD1 HIS 64 1HD HIS 64 -11.571 3.536 9.913 481 HD2 HIS 64 2HD HIS 64 -15.479 2.400 9.076 482 HE1 HIS 64 1HE HIS 64 -12.087 1.669 11.517 483 HE2 HIS 64 2HE HIS 64 -14.427 0.941 10.935 484 H TYR 65 H TYR 65 -14.420 3.378 5.391 485 HA TYR 65 HA TYR 65 -14.339 0.593 5.779 486 HB2 TYR 65 1HB TYR 65 -16.341 1.672 4.943 487 HB3 TYR 65 2HB TYR 65 -15.488 2.222 3.505 488 HD1 TYR 65 1HD TYR 65 -16.849 -0.743 5.234 489 HD2 TYR 65 2HD TYR 65 -15.179 0.782 1.629 490 HE1 TYR 65 1HE TYR 65 -17.510 -2.802 4.063 491 HE2 TYR 65 2HE TYR 65 -15.836 -1.274 0.449 492 HH TYR 65 HH TYR 65 -17.950 -3.195 1.138 493 H ASN 66 H ASN 66 -13.093 2.614 3.131 494 HA ASN 66 HA ASN 66 -12.015 0.526 1.596 495 HB2 ASN 66 1HB ASN 66 -11.632 3.474 1.737 496 HB3 ASN 66 2HB ASN 66 -10.406 2.539 0.888 497 HD21 ASN 66 1HD2 ASN 66 -13.421 4.001 0.687 498 HD22 ASN 66 2HD2 ASN 66 -13.915 3.357 -0.838 499 H LEU 67 H LEU 67 -10.617 2.494 4.179 500 HA LEU 67 HA LEU 67 -7.978 1.569 3.988 501 HB2 LEU 67 1HB LEU 67 -9.627 2.825 6.122 502 HB3 LEU 67 2HB LEU 67 -8.080 2.111 6.573 503 HG LEU 67 HG LEU 67 -8.274 4.144 4.373 504 HD11 LEU 67 1HD1 LEU 67 -8.123 4.622 7.338 505 HD12 LEU 67 2HD1 LEU 67 -9.278 5.286 6.183 506 HD13 LEU 67 3HD1 LEU 67 -7.593 5.806 6.143 507 HD21 LEU 67 1HD2 LEU 67 -6.205 2.946 4.466 508 HD22 LEU 67 2HD2 LEU 67 -6.080 3.194 6.209 509 HD23 LEU 67 3HD2 LEU 67 -5.930 4.565 5.108 510 H GLN 68 H GLN 68 -10.267 0.664 6.567 511 HA GLN 68 HA GLN 68 -8.937 -1.501 7.570 512 HB2 GLN 68 1HB GLN 68 -10.993 -2.235 8.513 513 HB3 GLN 68 2HB GLN 68 -11.071 -0.479 8.442 514 HG2 GLN 68 1HG GLN 68 -12.350 -0.734 6.293 515 HG3 GLN 68 2HG GLN 68 -12.442 -2.458 6.647 516 HE21 GLN 68 1HE2 GLN 68 -14.246 -3.060 7.580 517 HE22 GLN 68 2HE2 GLN 68 -15.230 -2.099 8.625 518 H ASN 69 H ASN 69 -11.086 -1.425 4.765 519 HA ASN 69 HA ASN 69 -11.361 -4.108 4.232 520 HB2 ASN 69 1HB ASN 69 -12.421 -2.221 2.963 521 HB3 ASN 69 2HB ASN 69 -10.887 -1.986 2.131 522 HD21 ASN 69 1HD2 ASN 69 -11.045 -2.729 0.150 523 HD22 ASN 69 2HD2 ASN 69 -11.778 -4.220 -0.324 524 H ALA 70 H ALA 70 -8.724 -1.972 3.162 525 HA ALA 70 HA ALA 70 -7.257 -4.019 1.854 526 HB1 ALA 70 1HB ALA 70 -7.118 -1.335 1.828 527 HB2 ALA 70 2HB ALA 70 -5.766 -1.700 2.900 528 HB3 ALA 70 3HB ALA 70 -5.813 -2.384 1.275 529 H PHE 71 H PHE 71 -7.144 -2.642 5.104 530 HA PHE 71 HA PHE 71 -4.794 -3.850 6.004 531 HB2 PHE 71 1HB PHE 71 -7.277 -2.879 7.384 532 HB3 PHE 71 2HB PHE 71 -6.020 -3.704 8.300 533 HD1 PHE 71 2HD PHE 71 -3.583 -2.773 7.885 534 HD2 PHE 71 1HD PHE 71 -7.177 -0.596 7.206 535 HE1 PHE 71 2HE PHE 71 -2.336 -0.662 8.075 536 HE2 PHE 71 1HE PHE 71 -5.935 1.519 7.394 537 HZ PHE 71 HZ PHE 71 -3.511 1.489 7.830 538 H ASN 72 H ASN 72 -8.149 -5.010 6.167 539 HA ASN 72 HA ASN 72 -7.453 -7.483 7.411 540 HB2 ASN 72 1HB ASN 72 -9.976 -6.794 5.890 541 HB3 ASN 72 2HB ASN 72 -9.771 -8.107 7.046 542 HD21 ASN 72 1HD2 ASN 72 -10.966 -5.088 6.655 543 HD22 ASN 72 2HD2 ASN 72 -10.967 -4.556 8.298 544 H LEU 73 H LEU 73 -8.417 -6.601 4.100 545 HA LEU 73 HA LEU 73 -8.322 -9.085 2.913 546 HB2 LEU 73 1HB LEU 73 -7.878 -6.309 1.965 547 HB3 LEU 73 2HB LEU 73 -7.393 -7.623 0.894 548 HG LEU 73 HG LEU 73 -10.167 -7.120 1.967 549 HD11 LEU 73 1HD1 LEU 73 -8.991 -6.842 -0.794 550 HD12 LEU 73 2HD1 LEU 73 -9.549 -5.535 0.251 551 HD13 LEU 73 3HD1 LEU 73 -10.704 -6.699 -0.398 552 HD21 LEU 73 1HD2 LEU 73 -8.958 -9.521 1.034 553 HD22 LEU 73 2HD2 LEU 73 -10.127 -8.977 -0.170 554 HD23 LEU 73 3HD2 LEU 73 -10.636 -9.236 1.500 555 H ALA 74 H ALA 74 -5.641 -6.750 3.169 556 HA ALA 74 HA ALA 74 -3.710 -8.552 2.095 557 HB1 ALA 74 1HB ALA 74 -2.970 -6.432 1.781 558 HB2 ALA 74 2HB ALA 74 -3.673 -5.844 3.288 559 HB3 ALA 74 3HB ALA 74 -2.164 -6.755 3.316 560 H GLU 75 H GLU 75 -4.937 -7.894 5.282 561 HA GLU 75 HA GLU 75 -2.771 -9.164 6.677 562 HB2 GLU 75 1HB GLU 75 -3.971 -7.480 7.865 563 HB3 GLU 75 2HB GLU 75 -5.516 -8.249 7.528 564 HG2 GLU 75 1HG GLU 75 -3.433 -9.694 9.105 565 HG3 GLU 75 2HG GLU 75 -4.451 -8.477 9.874 566 H LYS 76 H LYS 76 -5.656 -10.197 5.124 567 HA LYS 76 HA LYS 76 -5.527 -12.818 6.446 568 HB2 LYS 76 1HB LYS 76 -7.716 -11.573 6.361 569 HB3 LYS 76 2HB LYS 76 -7.693 -11.779 4.614 570 HG2 LYS 76 1HG LYS 76 -7.484 -14.287 5.117 571 HG3 LYS 76 2HG LYS 76 -8.003 -13.856 6.748 572 HD2 LYS 76 1HD LYS 76 -9.581 -12.810 4.456 573 HD3 LYS 76 2HD LYS 76 -9.737 -14.521 4.856 574 HE2 LYS 76 1HE LYS 76 -10.286 -13.899 7.176 575 HE3 LYS 76 2HE LYS 76 -10.186 -12.198 6.728 576 HZ1 LYS 76 1HZ LYS 76 -12.203 -14.199 5.949 577 HZ2 LYS 76 2HZ LYS 76 -11.935 -12.841 4.975 578 HZ3 LYS 76 3HZ LYS 76 -12.430 -12.645 6.581 579 H GLU 77 H GLU 77 -6.122 -11.522 3.171 580 HA GLU 77 HA GLU 77 -5.633 -13.888 1.784 581 HB2 GLU 77 1HB GLU 77 -5.180 -11.038 0.879 582 HB3 GLU 77 2HB GLU 77 -5.232 -12.436 -0.185 583 HG2 GLU 77 1HG GLU 77 -7.481 -11.339 1.481 584 HG3 GLU 77 2HG GLU 77 -7.338 -11.310 -0.276 585 H LEU 78 H LEU 78 -3.393 -11.113 1.926 586 HA LEU 78 HA LEU 78 -1.167 -12.641 1.061 587 HB2 LEU 78 1HB LEU 78 -1.006 -10.057 2.581 588 HB3 LEU 78 2HB LEU 78 0.122 -10.694 1.387 589 HG LEU 78 HG LEU 78 -2.678 -9.807 0.717 590 HD11 LEU 78 1HD1 LEU 78 -0.100 -8.258 0.514 591 HD12 LEU 78 2HD1 LEU 78 -1.443 -7.911 1.603 592 HD13 LEU 78 3HD1 LEU 78 -1.659 -7.754 -0.141 593 HD21 LEU 78 1HD2 LEU 78 -0.812 -9.604 -1.414 594 HD22 LEU 78 2HD2 LEU 78 -2.236 -10.638 -1.290 595 HD23 LEU 78 3HD2 LEU 78 -0.673 -11.215 -0.709 596 H GLY 79 H GLY 79 -2.143 -11.404 4.250 597 HA2 GLY 79 1HA GLY 79 -1.860 -12.740 6.224 598 HA3 GLY 79 2HA GLY 79 -0.472 -13.502 5.462 599 H LEU 80 H LEU 80 -1.139 -10.042 5.592 600 HA LEU 80 HA LEU 80 1.416 -9.675 6.974 601 HB2 LEU 80 1HB LEU 80 -0.347 -7.725 5.500 602 HB3 LEU 80 2HB LEU 80 1.169 -7.303 6.295 603 HG LEU 80 HG LEU 80 1.167 -9.409 4.177 604 HD11 LEU 80 1HD1 LEU 80 1.105 -7.945 2.416 605 HD12 LEU 80 2HD1 LEU 80 1.556 -6.558 3.407 606 HD13 LEU 80 3HD1 LEU 80 -0.080 -7.208 3.493 607 HD21 LEU 80 1HD2 LEU 80 3.260 -7.366 4.316 608 HD22 LEU 80 2HD2 LEU 80 3.389 -9.123 4.217 609 HD23 LEU 80 3HD2 LEU 80 3.101 -8.345 5.775 610 H THR 81 H THR 81 1.460 -7.720 8.490 611 HA THR 81 HA THR 81 -0.863 -7.907 10.289 612 HB THR 81 HB THR 81 2.003 -7.196 10.945 613 HG1 THR 81 1HG THR 81 0.468 -9.460 11.742 614 HG21 THR 81 1HG2 THR 81 0.894 -6.027 12.572 615 HG22 THR 81 2HG2 THR 81 0.933 -7.618 13.333 616 HG23 THR 81 3HG2 THR 81 -0.526 -7.072 12.507 617 H LYS 82 H LYS 82 -2.157 -6.202 10.183 618 HA LYS 82 HA LYS 82 -1.520 -3.746 8.997 619 HB2 LYS 82 1HB LYS 82 -3.616 -2.929 10.095 620 HB3 LYS 82 2HB LYS 82 -3.814 -4.411 9.169 621 HG2 LYS 82 1HG LYS 82 -3.538 -5.647 11.366 622 HG3 LYS 82 2HG LYS 82 -3.727 -4.077 12.151 623 HD2 LYS 82 1HD LYS 82 -5.930 -3.867 11.494 624 HD3 LYS 82 2HD LYS 82 -5.734 -4.961 10.122 625 HE2 LYS 82 1HE LYS 82 -5.991 -6.836 11.407 626 HE3 LYS 82 2HE LYS 82 -5.359 -6.061 12.858 627 HZ1 LYS 82 1HZ LYS 82 -7.838 -4.941 11.893 628 HZ2 LYS 82 2HZ LYS 82 -7.384 -5.373 13.464 629 HZ3 LYS 82 3HZ LYS 82 -7.959 -6.552 12.396 630 H LEU 83 H LEU 83 0.505 -3.177 9.983 631 HA LEU 83 HA LEU 83 0.988 -2.755 12.669 632 HB2 LEU 83 1HB LEU 83 2.007 -0.968 10.474 633 HB3 LEU 83 2HB LEU 83 2.775 -1.319 12.021 634 HG LEU 83 HG LEU 83 2.390 -3.319 9.795 635 HD11 LEU 83 1HD1 LEU 83 4.237 -1.208 9.984 636 HD12 LEU 83 2HD1 LEU 83 4.243 -2.557 8.850 637 HD13 LEU 83 3HD1 LEU 83 5.117 -2.686 10.376 638 HD21 LEU 83 1HD2 LEU 83 2.595 -4.662 11.622 639 HD22 LEU 83 2HD2 LEU 83 3.468 -3.449 12.557 640 HD23 LEU 83 3HD2 LEU 83 4.304 -4.366 11.303 641 H LEU 84 H LEU 84 -0.733 -0.733 10.380 642 HA LEU 84 HA LEU 84 -1.201 1.252 12.501 643 HB2 LEU 84 1HB LEU 84 -1.724 1.560 9.552 644 HB3 LEU 84 2HB LEU 84 -1.751 2.823 10.781 645 HG LEU 84 HG LEU 84 0.755 1.313 10.085 646 HD11 LEU 84 1HD1 LEU 84 0.244 4.031 9.001 647 HD12 LEU 84 2HD1 LEU 84 -0.481 2.651 8.175 648 HD13 LEU 84 3HD1 LEU 84 1.268 2.737 8.380 649 HD21 LEU 84 1HD2 LEU 84 0.134 3.872 11.537 650 HD22 LEU 84 2HD2 LEU 84 1.751 3.468 10.961 651 HD23 LEU 84 3HD2 LEU 84 0.956 2.437 12.151 652 H ASP 85 H ASP 85 -3.458 2.437 11.879 653 HA ASP 85 HA ASP 85 -5.480 0.316 11.603 654 HB2 ASP 85 1HB ASP 85 -5.337 2.512 13.664 655 HB3 ASP 85 2HB ASP 85 -6.837 1.667 13.293 656 HA PRO 86 HA PRO 86 -7.469 2.882 8.652 657 HB2 PRO 86 1HB PRO 86 -10.074 2.235 9.059 658 HB3 PRO 86 2HB PRO 86 -8.921 1.138 8.290 659 HG2 PRO 86 1HG PRO 86 -9.890 1.187 11.121 660 HG3 PRO 86 2HG PRO 86 -9.646 -0.202 10.047 661 HD2 PRO 86 1HD PRO 86 -7.858 0.492 11.959 662 HD3 PRO 86 2HD PRO 86 -7.373 -0.253 10.422 663 H GLU 87 H GLU 87 -7.688 3.457 11.920 664 HA GLU 87 HA GLU 87 -9.404 5.820 11.536 665 HB2 GLU 87 1HB GLU 87 -8.839 4.129 13.962 666 HB3 GLU 87 2HB GLU 87 -9.504 5.750 14.104 667 HG2 GLU 87 1HG GLU 87 -11.353 4.996 12.565 668 HG3 GLU 87 2HG GLU 87 -10.739 3.358 12.778 669 H ASP 88 H ASP 88 -6.406 4.661 13.015 670 HA ASP 88 HA ASP 88 -5.539 7.179 13.973 671 HB2 ASP 88 1HB ASP 88 -4.030 4.646 13.315 672 HB3 ASP 88 2HB ASP 88 -3.273 6.062 14.040 673 H VAL 89 H VAL 89 -4.766 5.359 11.021 674 HA VAL 89 HA VAL 89 -2.960 7.214 9.935 675 HB VAL 89 HB VAL 89 -4.757 5.244 8.514 676 HG11 VAL 89 1HG1 VAL 89 -2.780 7.194 7.529 677 HG12 VAL 89 2HG1 VAL 89 -2.644 5.562 6.872 678 HG13 VAL 89 3HG1 VAL 89 -4.155 6.455 6.708 679 HG21 VAL 89 1HG2 VAL 89 -3.190 4.243 10.126 680 HG22 VAL 89 2HG2 VAL 89 -2.798 3.810 8.461 681 HG23 VAL 89 3HG2 VAL 89 -1.850 5.039 9.299 682 H ASN 90 H ASN 90 -6.455 6.812 9.424 683 HA ASN 90 HA ASN 90 -6.783 8.862 7.547 684 HB2 ASN 90 1HB ASN 90 -8.516 7.191 7.973 685 HB3 ASN 90 2HB ASN 90 -8.748 7.823 9.600 686 HD21 ASN 90 1HD2 ASN 90 -10.909 7.653 8.072 687 HD22 ASN 90 2HD2 ASN 90 -11.417 9.209 7.522 688 H VAL 91 H VAL 91 -5.723 10.740 8.066 689 HA VAL 91 HA VAL 91 -7.067 12.492 9.908 690 HB VAL 91 HB VAL 91 -5.512 11.291 11.420 691 HG11 VAL 91 1HG1 VAL 91 -3.037 12.141 11.072 692 HG12 VAL 91 2HG1 VAL 91 -3.628 10.681 10.278 693 HG13 VAL 91 3HG1 VAL 91 -3.543 12.198 9.384 694 HG21 VAL 91 1HG2 VAL 91 -4.455 14.070 11.178 695 HG22 VAL 91 2HG2 VAL 91 -6.167 13.825 11.523 696 HG23 VAL 91 3HG2 VAL 91 -4.946 13.175 12.617 697 H ASP 92 H ASP 92 -6.239 14.706 9.799 698 HA ASP 92 HA ASP 92 -5.879 15.637 7.237 699 HB2 ASP 92 1HB ASP 92 -5.181 16.837 9.908 700 HB3 ASP 92 2HB ASP 92 -4.890 17.713 8.409 701 H GLN 93 H GLN 93 -3.335 15.238 9.704 702 HA GLN 93 HA GLN 93 -1.403 14.861 7.526 703 HB2 GLN 93 1HB GLN 93 -0.913 16.555 9.981 704 HB3 GLN 93 2HB GLN 93 0.249 16.222 8.704 705 HG2 GLN 93 1HG GLN 93 -2.351 17.680 8.303 706 HG3 GLN 93 2HG GLN 93 -0.792 18.461 8.559 707 HE21 GLN 93 1HE2 GLN 93 -2.412 18.846 6.301 708 HE22 GLN 93 2HE2 GLN 93 -1.572 18.234 4.921 709 HA PRO 94 HA PRO 94 -1.081 11.391 10.516 710 HB2 PRO 94 1HB PRO 94 -0.499 9.539 8.619 711 HB3 PRO 94 2HB PRO 94 -2.153 10.015 9.021 712 HG2 PRO 94 1HG PRO 94 -0.423 10.914 6.751 713 HG3 PRO 94 2HG PRO 94 -2.141 10.477 6.743 714 HD2 PRO 94 1HD PRO 94 -1.292 13.048 6.773 715 HD3 PRO 94 2HD PRO 94 -2.797 12.531 7.560 716 H ASP 95 H ASP 95 0.751 9.744 10.701 717 HA ASP 95 HA ASP 95 3.255 11.187 10.486 718 HB2 ASP 95 1HB ASP 95 2.375 8.676 11.873 719 HB3 ASP 95 2HB ASP 95 4.091 9.015 11.663 720 H GLU 96 H GLU 96 3.810 11.175 8.326 721 HA GLU 96 HA GLU 96 3.627 9.170 6.479 722 HB2 GLU 96 1HB GLU 96 5.377 10.242 5.251 723 HB3 GLU 96 2HB GLU 96 4.469 11.499 6.079 724 HG2 GLU 96 1HG GLU 96 6.317 11.165 7.917 725 HG3 GLU 96 2HG GLU 96 7.236 10.529 6.554 726 H LYS 97 H LYS 97 6.117 9.582 8.947 727 HA LYS 97 HA LYS 97 7.816 7.503 8.092 728 HB2 LYS 97 1HB LYS 97 7.398 8.645 10.860 729 HB3 LYS 97 2HB LYS 97 8.728 7.593 10.398 730 HG2 LYS 97 1HG LYS 97 8.254 10.156 8.935 731 HG3 LYS 97 2HG LYS 97 9.101 10.146 10.483 732 HD2 LYS 97 1HD LYS 97 10.883 9.907 9.076 733 HD3 LYS 97 2HD LYS 97 10.469 8.207 9.308 734 HE2 LYS 97 1HE LYS 97 9.538 8.011 7.207 735 HE3 LYS 97 2HE LYS 97 9.196 9.736 7.083 736 HZ1 LYS 97 1HZ LYS 97 11.973 8.736 7.141 737 HZ2 LYS 97 2HZ LYS 97 11.391 10.210 6.550 738 HZ3 LYS 97 3HZ LYS 97 11.097 8.779 5.694 739 H SER 98 H SER 98 4.891 7.531 9.987 740 HA SER 98 HA SER 98 5.214 4.839 10.958 741 HB2 SER 98 1HB SER 98 3.854 6.813 12.010 742 HB3 SER 98 2HB SER 98 2.578 6.275 10.917 743 HG SER 98 HG SER 98 3.205 5.267 13.262 744 H ILE 99 H ILE 99 4.201 6.252 8.059 745 HA ILE 99 HA ILE 99 2.543 3.953 7.315 746 HB ILE 99 HB ILE 99 3.025 6.556 5.862 747 HG12 ILE 99 1HG1 ILE 99 0.491 5.555 7.165 748 HG13 ILE 99 2HG1 ILE 99 1.641 6.604 7.985 749 HG21 ILE 99 1HG2 ILE 99 0.942 4.517 5.162 750 HG22 ILE 99 2HG2 ILE 99 1.542 5.863 4.196 751 HG23 ILE 99 3HG2 ILE 99 2.564 4.452 4.473 752 HD11 ILE 99 1HD1 ILE 99 -0.316 7.216 5.881 753 HD12 ILE 99 2HD1 ILE 99 0.292 8.216 7.200 754 HD13 ILE 99 3HD1 ILE 99 1.249 8.012 5.734 755 H ILE 100 H ILE 100 5.215 5.876 5.937 756 HA ILE 100 HA ILE 100 5.899 4.386 3.776 757 HB ILE 100 HB ILE 100 7.830 5.609 5.750 758 HG12 ILE 100 1HG1 ILE 100 7.078 6.828 3.124 759 HG13 ILE 100 2HG1 ILE 100 5.960 6.977 4.476 760 HG21 ILE 100 1HG2 ILE 100 8.711 3.872 4.073 761 HG22 ILE 100 2HG2 ILE 100 8.394 5.103 2.851 762 HG23 ILE 100 3HG2 ILE 100 9.526 5.434 4.163 763 HD11 ILE 100 1HD1 ILE 100 7.148 8.636 5.320 764 HD12 ILE 100 2HD1 ILE 100 8.605 7.643 5.336 765 HD13 ILE 100 3HD1 ILE 100 8.187 8.570 3.896 766 H THR 101 H THR 101 6.553 3.612 7.141 767 HA THR 101 HA THR 101 8.238 1.370 6.570 768 HB THR 101 HB THR 101 6.743 1.888 9.142 769 HG1 THR 101 1HG THR 101 8.482 3.163 9.744 770 HG21 THR 101 1HG2 THR 101 8.728 -0.042 8.261 771 HG22 THR 101 2HG2 THR 101 7.737 -0.030 9.719 772 HG23 THR 101 3HG2 THR 101 9.258 0.861 9.681 773 H TYR 102 H TYR 102 4.819 1.810 7.332 774 HA TYR 102 HA TYR 102 4.200 -0.949 7.553 775 HB2 TYR 102 1HB TYR 102 2.673 0.563 8.550 776 HB3 TYR 102 2HB TYR 102 2.521 1.508 7.073 777 HD1 TYR 102 1HD TYR 102 2.092 -2.093 8.012 778 HD2 TYR 102 2HD TYR 102 0.463 1.324 6.069 779 HE1 TYR 102 1HE TYR 102 0.107 -3.404 7.384 780 HE2 TYR 102 2HE TYR 102 -1.527 0.023 5.438 781 HH TYR 102 HH TYR 102 -2.045 -2.484 5.066 782 H VAL 103 H VAL 103 3.707 1.394 4.916 783 HA VAL 103 HA VAL 103 2.629 -0.404 3.058 784 HB VAL 103 HB VAL 103 2.488 2.003 2.730 785 HG11 VAL 103 1HG1 VAL 103 4.445 2.949 3.505 786 HG12 VAL 103 2HG1 VAL 103 5.467 1.798 2.644 787 HG13 VAL 103 3HG1 VAL 103 4.647 3.084 1.759 788 HG21 VAL 103 1HG2 VAL 103 2.162 0.845 0.731 789 HG22 VAL 103 2HG2 VAL 103 3.369 2.061 0.316 790 HG23 VAL 103 3HG2 VAL 103 3.862 0.393 0.606 791 H ALA 104 H ALA 104 5.922 0.248 3.997 792 HA ALA 104 HA ALA 104 7.370 -0.699 1.854 793 HB1 ALA 104 1HB ALA 104 9.124 -1.286 3.468 794 HB2 ALA 104 2HB ALA 104 8.419 0.296 3.803 795 HB3 ALA 104 3HB ALA 104 7.964 -1.097 4.784 796 H THR 105 H THR 105 5.718 -2.538 4.370 797 HA THR 105 HA THR 105 6.733 -5.072 3.861 798 HB THR 105 HB THR 105 4.740 -5.975 4.893 799 HG1 THR 105 1HG THR 105 3.662 -3.403 4.344 800 HG21 THR 105 1HG2 THR 105 5.742 -3.395 6.073 801 HG22 THR 105 2HG2 THR 105 6.194 -5.045 6.499 802 HG23 THR 105 3HG2 THR 105 4.594 -4.432 6.920 803 H TYR 106 H TYR 106 4.019 -3.389 2.326 804 HA TYR 106 HA TYR 106 3.048 -5.450 0.744 805 HB2 TYR 106 1HB TYR 106 3.087 -2.468 0.437 806 HB3 TYR 106 2HB TYR 106 2.462 -3.474 -0.866 807 HD1 TYR 106 1HD TYR 106 2.144 -3.799 2.840 808 HD2 TYR 106 2HD TYR 106 0.158 -3.214 -0.877 809 HE1 TYR 106 1HE TYR 106 -0.027 -3.924 3.988 810 HE2 TYR 106 2HE TYR 106 -2.018 -3.336 0.261 811 HH TYR 106 HH TYR 106 -2.326 -4.360 3.535 812 H TYR 107 H TYR 107 5.789 -3.310 0.225 813 HA TYR 107 HA TYR 107 6.282 -4.206 -2.454 814 HB2 TYR 107 1HB TYR 107 7.096 -2.057 -2.076 815 HB3 TYR 107 2HB TYR 107 7.745 -2.472 -0.493 816 HD1 TYR 107 2HD TYR 107 8.228 -3.558 -4.044 817 HD2 TYR 107 1HD TYR 107 10.038 -2.518 -0.337 818 HE1 TYR 107 2HE TYR 107 10.450 -3.881 -5.045 819 HE2 TYR 107 1HE TYR 107 12.266 -2.837 -1.328 820 HH TYR 107 HH TYR 107 13.001 -4.477 -3.714 821 H HIS 108 H HIS 108 7.935 -4.708 0.662 822 HA HIS 108 HA HIS 108 9.892 -6.477 -0.224 823 HB2 HIS 108 1HB HIS 108 8.520 -6.232 2.454 824 HB3 HIS 108 2HB HIS 108 9.885 -7.308 2.172 825 HD1 HIS 108 1HD HIS 108 12.161 -6.080 1.423 826 HD2 HIS 108 2HD HIS 108 9.194 -3.649 3.021 827 HE1 HIS 108 1HE HIS 108 13.317 -3.940 2.061 828 HE2 HIS 108 2HE HIS 108 11.518 -2.517 3.104 829 H TYR 109 H TYR 109 6.823 -7.327 1.389 830 HA TYR 109 HA TYR 109 6.878 -10.028 1.258 831 HB2 TYR 109 1HB TYR 109 4.992 -8.981 2.258 832 HB3 TYR 109 2HB TYR 109 4.562 -8.159 0.762 833 HD1 TYR 109 2HD TYR 109 4.621 -11.432 2.471 834 HD2 TYR 109 1HD TYR 109 3.223 -9.230 -0.891 835 HE1 TYR 109 2HE TYR 109 3.099 -13.278 1.903 836 HE2 TYR 109 1HE TYR 109 1.696 -11.070 -1.468 837 HH TYR 109 HH TYR 109 0.598 -12.959 -0.387 838 H PHE 110 H PHE 110 5.296 -8.111 -1.303 839 HA PHE 110 HA PHE 110 5.039 -10.174 -3.144 840 HB2 PHE 110 1HB PHE 110 5.046 -7.205 -3.304 841 HB3 PHE 110 2HB PHE 110 5.227 -8.092 -4.814 842 HD1 PHE 110 2HD PHE 110 3.478 -9.955 -5.259 843 HD2 PHE 110 1HD PHE 110 2.939 -6.789 -2.467 844 HE1 PHE 110 2HE PHE 110 1.043 -10.292 -5.353 845 HE2 PHE 110 1HE PHE 110 0.502 -7.120 -2.555 846 HZ PHE 110 HZ PHE 110 -0.449 -8.874 -4.001 847 H SER 111 H SER 111 7.700 -7.896 -2.666 848 HA SER 111 HA SER 111 9.261 -8.400 -4.863 849 HB2 SER 111 1HB SER 111 9.759 -6.761 -3.024 850 HB3 SER 111 2HB SER 111 10.345 -8.111 -2.052 851 HG SER 111 HG SER 111 12.145 -7.459 -3.027 852 H LYS 112 H LYS 112 9.201 -10.247 -1.828 853 HA LYS 112 HA LYS 112 11.178 -12.071 -2.230 854 HB2 LYS 112 1HB LYS 112 8.422 -12.508 -1.078 855 HB3 LYS 112 2HB LYS 112 9.699 -13.714 -0.995 856 HG2 LYS 112 1HG LYS 112 10.259 -10.969 0.006 857 HG3 LYS 112 2HG LYS 112 9.269 -12.054 0.985 858 HD2 LYS 112 1HD LYS 112 11.104 -13.761 0.753 859 HD3 LYS 112 2HD LYS 112 12.093 -12.492 0.027 860 HE2 LYS 112 1HE LYS 112 12.598 -12.694 2.388 861 HE3 LYS 112 2HE LYS 112 11.823 -11.144 2.066 862 HZ1 LYS 112 1HZ LYS 112 9.869 -13.087 2.679 863 HZ2 LYS 112 2HZ LYS 112 10.225 -11.647 3.492 864 HZ3 LYS 112 3HZ LYS 112 11.044 -13.070 3.898 865 H MET 113 H MET 113 7.911 -12.195 -3.598 866 HA MET 113 HA MET 113 8.183 -14.687 -4.882 867 HB2 MET 113 1HB MET 113 6.431 -12.340 -5.630 868 HB3 MET 113 2HB MET 113 6.244 -13.982 -6.230 869 HG2 MET 113 1HG MET 113 6.233 -13.557 -3.294 870 HG3 MET 113 2HG MET 113 4.817 -13.060 -4.218 871 HE1 MET 113 1HE MET 113 2.975 -15.277 -3.155 872 HE2 MET 113 2HE MET 113 4.063 -16.376 -2.306 873 HE3 MET 113 3HE MET 113 4.267 -14.632 -2.142 874 H LYS 114 H LYS 114 8.199 -15.007 -7.264 875 HA LYS 114 HA LYS 114 9.193 -14.828 -9.303 876 HB2 LYS 114 1HB LYS 114 8.110 -12.438 -8.990 877 HB3 LYS 114 2HB LYS 114 9.790 -11.932 -8.879 878 HG2 LYS 114 1HG LYS 114 9.147 -11.664 -11.133 879 HG3 LYS 114 2HG LYS 114 10.176 -13.096 -11.073 880 HD2 LYS 114 1HD LYS 114 8.130 -14.500 -10.998 881 HD3 LYS 114 2HD LYS 114 7.162 -13.038 -11.199 882 HE2 LYS 114 1HE LYS 114 9.279 -13.964 -13.137 883 HE3 LYS 114 2HE LYS 114 7.557 -14.300 -13.311 884 HZ1 LYS 114 1HZ LYS 114 7.498 -11.669 -13.001 885 HZ2 LYS 114 2HZ LYS 114 7.631 -12.414 -14.513 886 HZ3 LYS 114 3HZ LYS 114 9.014 -11.822 -13.738 887 H ALA 115 H ALA 115 10.755 -15.615 -7.113 888 HA ALA 115 HA ALA 115 13.377 -14.431 -7.754 889 HB1 ALA 115 1HB ALA 115 14.021 -14.598 -5.593 890 HB2 ALA 115 2HB ALA 115 12.281 -14.509 -5.314 891 HB3 ALA 115 3HB ALA 115 13.095 -16.075 -5.315 892 H LEU 116 H LEU 116 15.188 -16.135 -7.168 893 HA LEU 116 HA LEU 116 15.113 -18.126 -9.112 894 HB2 LEU 116 1HB LEU 116 16.859 -17.505 -6.797 895 HB3 LEU 116 2HB LEU 116 17.003 -19.108 -7.514 896 HG LEU 116 HG LEU 116 18.632 -17.343 -8.323 897 HD11 LEU 116 1HD1 LEU 116 16.865 -18.834 -10.251 898 HD12 LEU 116 2HD1 LEU 116 18.391 -19.369 -9.548 899 HD13 LEU 116 3HD1 LEU 116 18.375 -18.044 -10.711 900 HD21 LEU 116 1HD2 LEU 116 17.543 -16.009 -10.275 901 HD22 LEU 116 2HD2 LEU 116 17.437 -15.395 -8.625 902 HD23 LEU 116 3HD2 LEU 116 16.058 -16.227 -9.347 903 H ALA 117 H ALA 117 14.378 -18.278 -5.665 904 HA ALA 117 HA ALA 117 13.083 -20.870 -6.123 905 HB1 ALA 117 1HB ALA 117 15.329 -21.280 -5.166 906 HB2 ALA 117 2HB ALA 117 14.868 -20.323 -3.757 907 HB3 ALA 117 3HB ALA 117 14.017 -21.824 -4.119 908 H VAL 118 H VAL 118 11.122 -21.027 -5.215 909 HA VAL 118 HA VAL 118 10.412 -19.201 -3.030 910 HB VAL 118 HB VAL 118 9.632 -18.226 -5.189 911 HG11 VAL 118 1HG1 VAL 118 7.385 -20.020 -5.519 912 HG12 VAL 118 2HG1 VAL 118 8.524 -19.407 -6.719 913 HG13 VAL 118 3HG1 VAL 118 8.923 -20.844 -5.774 914 HG21 VAL 118 1HG2 VAL 118 7.131 -18.166 -4.397 915 HG22 VAL 118 2HG2 VAL 118 7.777 -19.012 -2.990 916 HG23 VAL 118 3HG2 VAL 118 8.399 -17.420 -3.425 917 H GLU 119 H GLU 119 9.023 -20.029 -1.531 918 HA GLU 119 HA GLU 119 8.864 -22.688 -1.014 919 HB2 GLU 119 1HB GLU 119 6.926 -20.484 -0.339 920 HB3 GLU 119 2HB GLU 119 6.709 -22.125 0.257 921 HG2 GLU 119 1HG GLU 119 9.079 -21.921 1.175 922 HG3 GLU 119 2HG GLU 119 8.915 -20.192 0.867 923 H GLY 120 H GLY 120 6.997 -24.189 -1.048 924 HA2 GLY 120 1HA GLY 120 6.058 -24.527 -3.714 925 HA3 GLY 120 2HA GLY 120 5.610 -25.507 -2.326 926 H LYS 121 H LYS 121 4.684 -22.971 -4.439 927 HA LYS 121 HA LYS 121 1.976 -23.084 -3.511 928 HB2 LYS 121 1HB LYS 121 2.805 -21.525 -1.857 929 HB3 LYS 121 2HB LYS 121 3.567 -20.546 -3.104 930 HG2 LYS 121 1HG LYS 121 1.622 -19.388 -2.526 931 HG3 LYS 121 2HG LYS 121 1.229 -20.202 -4.042 932 HD2 LYS 121 1HD LYS 121 -0.640 -20.623 -2.729 933 HD3 LYS 121 2HD LYS 121 0.323 -22.087 -2.518 934 HE2 LYS 121 1HE LYS 121 -0.463 -21.430 -0.367 935 HE3 LYS 121 2HE LYS 121 1.260 -21.066 -0.434 936 HZ1 LYS 121 1HZ LYS 121 -0.549 -19.334 0.414 937 HZ2 LYS 121 2HZ LYS 121 -0.549 -18.929 -1.228 938 HZ3 LYS 121 3HZ LYS 121 0.888 -18.857 -0.339 939 H SER 122 H SER 122 0.689 -22.843 -5.218 940 HA SER 122 HA SER 122 1.831 -21.876 -7.711 941 HB2 SER 122 1HB SER 122 0.409 -24.010 -7.450 942 HB3 SER 122 2HB SER 122 -0.974 -22.920 -7.354 943 HG SER 122 HG SER 122 0.718 -22.374 -9.440 944 H GLY 123 H GLY 123 1.634 -19.831 -8.317 945 HA2 GLY 123 1HA GLY 123 -0.853 -18.398 -7.673 946 HA3 GLY 123 2HA GLY 123 0.690 -17.668 -7.253 947 HA PRO 124 HA PRO 124 -0.238 -17.584 -12.046 948 HB2 PRO 124 1HB PRO 124 -2.715 -16.544 -12.436 949 HB3 PRO 124 2HB PRO 124 -2.405 -18.282 -12.357 950 HG2 PRO 124 1HG PRO 124 -3.439 -16.443 -10.233 951 HG3 PRO 124 2HG PRO 124 -3.986 -18.074 -10.664 952 HD2 PRO 124 1HD PRO 124 -2.369 -17.591 -8.545 953 HD3 PRO 124 2HD PRO 124 -2.281 -19.091 -9.491 954 H SER 125 H SER 125 0.496 -15.799 -13.051 955 HA SER 125 HA SER 125 -0.335 -13.154 -12.197 956 HB2 SER 125 1HB SER 125 1.927 -12.354 -11.747 957 HB3 SER 125 2HB SER 125 1.541 -13.697 -10.671 958 HG SER 125 HG SER 125 3.553 -13.484 -12.410 959 H SER 126 H SER 126 -0.440 -11.809 -13.883 960 HA SER 126 HA SER 126 1.374 -11.753 -16.038 961 HB2 SER 126 1HB SER 126 0.088 -13.916 -16.493 962 HB3 SER 126 2HB SER 126 -1.307 -12.891 -16.830 963 HG SER 126 HG SER 126 1.076 -12.234 -18.104 964 H GLY 127 H GLY 127 0.603 -10.297 -17.818 965 HA2 GLY 127 1HA GLY 127 -1.555 -8.803 -18.125 966 HA3 GLY 127 2HA GLY 127 -0.951 -8.131 -16.618 Start of MODEL 16 1 H1 GLY 1 H GLY 1 7.817 14.633 2.672 2 HA2 GLY 1 1HA GLY 1 5.742 14.798 0.686 3 HA3 GLY 1 2HA GLY 1 6.206 16.367 1.325 4 H SER 2 H SER 2 7.073 17.121 -0.591 5 HA SER 2 HA SER 2 8.987 15.645 -2.104 6 HB2 SER 2 1HB SER 2 9.264 17.695 -3.394 7 HB3 SER 2 2HB SER 2 7.550 17.415 -3.088 8 HG SER 2 HG SER 2 8.169 18.839 -1.104 9 H SER 3 H SER 3 11.061 15.346 -1.669 10 HA SER 3 HA SER 3 12.371 17.149 0.251 11 HB2 SER 3 1HB SER 3 13.018 14.292 -0.511 12 HB3 SER 3 2HB SER 3 13.980 15.272 0.595 13 HG SER 3 HG SER 3 11.888 13.809 1.184 14 H GLY 4 H GLY 4 13.595 18.643 -0.688 15 HA2 GLY 4 1HA GLY 4 14.616 18.334 -3.353 16 HA3 GLY 4 2HA GLY 4 14.894 19.698 -2.281 17 H SER 5 H SER 5 16.037 18.310 -0.113 18 HA SER 5 HA SER 5 18.635 17.621 -1.298 19 HB2 SER 5 1HB SER 5 19.539 18.119 0.984 20 HB3 SER 5 2HB SER 5 18.752 19.499 0.219 21 HG SER 5 HG SER 5 17.631 19.563 1.994 22 H SER 6 H SER 6 16.594 16.680 1.472 23 HA SER 6 HA SER 6 17.955 14.314 2.085 24 HB2 SER 6 1HB SER 6 15.017 14.914 2.507 25 HB3 SER 6 2HB SER 6 15.959 13.687 3.352 26 HG SER 6 HG SER 6 17.344 15.695 3.850 27 H GLY 7 H GLY 7 18.097 12.425 1.072 28 HA2 GLY 7 1HA GLY 7 16.074 11.808 -0.992 29 HA3 GLY 7 2HA GLY 7 17.766 11.355 -1.116 30 H ALA 8 H ALA 8 15.033 10.939 1.136 31 HA ALA 8 HA ALA 8 15.888 8.137 1.476 32 HB1 ALA 8 1HB ALA 8 14.687 10.056 3.451 33 HB2 ALA 8 2HB ALA 8 14.675 8.310 3.706 34 HB3 ALA 8 3HB ALA 8 16.208 9.170 3.561 35 H LYS 9 H LYS 9 13.928 6.807 2.397 36 HA LYS 9 HA LYS 9 12.114 5.669 1.499 37 HB2 LYS 9 1HB LYS 9 10.048 6.761 2.163 38 HB3 LYS 9 2HB LYS 9 11.278 7.009 3.394 39 HG2 LYS 9 1HG LYS 9 11.022 9.099 1.317 40 HG3 LYS 9 2HG LYS 9 9.715 8.966 2.496 41 HD2 LYS 9 1HD LYS 9 11.526 9.000 4.280 42 HD3 LYS 9 2HD LYS 9 12.636 9.493 2.999 43 HE2 LYS 9 1HE LYS 9 11.194 11.429 2.525 44 HE3 LYS 9 2HE LYS 9 10.126 10.942 3.840 45 HZ1 LYS 9 1HZ LYS 9 11.400 12.150 5.171 46 HZ2 LYS 9 2HZ LYS 9 12.545 12.419 3.956 47 HZ3 LYS 9 3HZ LYS 9 12.654 11.039 4.930 48 H ASP 10 H ASP 10 13.550 6.781 -0.624 49 HA ASP 10 HA ASP 10 11.572 8.033 -2.369 50 HB2 ASP 10 1HB ASP 10 13.665 7.908 -3.974 51 HB3 ASP 10 2HB ASP 10 13.564 9.136 -2.714 52 H ALA 11 H ALA 11 13.888 5.331 -2.643 53 HA ALA 11 HA ALA 11 13.101 4.112 -4.903 54 HB1 ALA 11 1HB ALA 11 14.854 3.301 -3.319 55 HB2 ALA 11 2HB ALA 11 13.569 2.563 -2.362 56 HB3 ALA 11 3HB ALA 11 13.855 2.027 -4.017 57 H LEU 12 H LEU 12 11.380 3.964 -1.821 58 HA LEU 12 HA LEU 12 9.407 2.109 -2.715 59 HB2 LEU 12 1HB LEU 12 10.025 2.492 -0.337 60 HB3 LEU 12 2HB LEU 12 9.243 4.068 -0.431 61 HG LEU 12 HG LEU 12 7.100 2.876 -0.949 62 HD11 LEU 12 1HD1 LEU 12 6.887 0.572 -0.743 63 HD12 LEU 12 2HD1 LEU 12 8.435 0.402 0.083 64 HD13 LEU 12 3HD1 LEU 12 8.391 0.759 -1.643 65 HD21 LEU 12 1HD2 LEU 12 6.772 3.296 1.205 66 HD22 LEU 12 2HD2 LEU 12 8.497 3.138 1.539 67 HD23 LEU 12 3HD2 LEU 12 7.455 1.715 1.584 68 H LEU 13 H LEU 13 9.205 5.596 -1.980 69 HA LEU 13 HA LEU 13 6.683 6.184 -2.740 70 HB2 LEU 13 1HB LEU 13 8.297 7.834 -1.925 71 HB3 LEU 13 2HB LEU 13 9.131 7.781 -3.477 72 HG LEU 13 HG LEU 13 6.933 8.599 -4.491 73 HD11 LEU 13 1HD1 LEU 13 6.124 9.998 -2.128 74 HD12 LEU 13 2HD1 LEU 13 6.076 8.259 -1.839 75 HD13 LEU 13 3HD1 LEU 13 5.177 8.953 -3.188 76 HD21 LEU 13 1HD2 LEU 13 7.888 10.745 -2.724 77 HD22 LEU 13 2HD2 LEU 13 7.805 10.672 -4.484 78 HD23 LEU 13 3HD2 LEU 13 9.144 9.902 -3.631 79 H LEU 14 H LEU 14 9.436 5.832 -4.955 80 HA LEU 14 HA LEU 14 8.010 6.395 -7.320 81 HB2 LEU 14 1HB LEU 14 10.390 6.503 -7.331 82 HB3 LEU 14 2HB LEU 14 10.526 4.826 -6.807 83 HG LEU 14 HG LEU 14 9.549 4.147 -9.010 84 HD11 LEU 14 1HD1 LEU 14 8.413 6.152 -9.649 85 HD12 LEU 14 2HD1 LEU 14 9.686 5.842 -10.827 86 HD13 LEU 14 3HD1 LEU 14 9.913 7.080 -9.593 87 HD21 LEU 14 1HD2 LEU 14 12.086 5.763 -9.210 88 HD22 LEU 14 2HD2 LEU 14 11.609 4.394 -10.218 89 HD23 LEU 14 3HD2 LEU 14 11.983 4.146 -8.511 90 H TRP 15 H TRP 15 8.716 3.361 -5.641 91 HA TRP 15 HA TRP 15 7.807 1.528 -7.482 92 HB2 TRP 15 1HB TRP 15 8.858 1.022 -5.255 93 HB3 TRP 15 2HB TRP 15 7.298 1.356 -4.507 94 HD1 TRP 15 HD TRP 15 8.916 -1.135 -6.979 95 HE1 TRP 15 1HE TRP 15 7.587 -3.337 -6.881 96 HE3 TRP 15 3HE TRP 15 5.153 0.328 -3.844 97 HZ2 TRP 15 2HZ TRP 15 5.252 -4.322 -5.639 98 HZ3 TRP 15 3HZ TRP 15 3.410 -1.304 -3.251 99 HH2 TRP 15 HH TRP 15 3.460 -3.581 -4.132 100 H CYS 16 H CYS 16 5.834 2.843 -4.811 101 HA CYS 16 HA CYS 16 3.395 1.816 -5.639 102 HB2 CYS 16 1HB CYS 16 4.114 3.145 -3.475 103 HB3 CYS 16 2HB CYS 16 3.488 4.523 -4.372 104 HG CYS 16 HG CYS 16 1.075 2.651 -4.794 105 H GLN 17 H GLN 17 4.973 4.849 -6.533 106 HA GLN 17 HA GLN 17 2.856 5.977 -7.982 107 HB2 GLN 17 1HB GLN 17 5.839 6.312 -8.086 108 HB3 GLN 17 2HB GLN 17 4.803 7.145 -9.238 109 HG2 GLN 17 1HG GLN 17 3.567 8.114 -7.289 110 HG3 GLN 17 2HG GLN 17 4.811 7.426 -6.245 111 HE21 GLN 17 1HE2 GLN 17 4.092 10.207 -6.657 112 HE22 GLN 17 2HE2 GLN 17 5.521 11.001 -7.215 113 H MET 18 H MET 18 5.254 3.580 -8.852 114 HA MET 18 HA MET 18 4.691 3.651 -11.660 115 HB2 MET 18 1HB MET 18 6.213 1.755 -9.884 116 HB3 MET 18 2HB MET 18 5.955 1.412 -11.591 117 HG2 MET 18 1HG MET 18 6.924 3.862 -11.844 118 HG3 MET 18 2HG MET 18 7.665 3.456 -10.298 119 HE1 MET 18 1HE MET 18 8.469 -0.015 -11.020 120 HE2 MET 18 2HE MET 18 10.041 0.761 -10.830 121 HE3 MET 18 3HE MET 18 8.673 1.284 -9.845 122 H LYS 19 H LYS 19 3.857 1.431 -9.009 123 HA LYS 19 HA LYS 19 2.310 -0.337 -10.565 124 HB2 LYS 19 1HB LYS 19 1.924 0.246 -7.627 125 HB3 LYS 19 2HB LYS 19 1.516 -1.234 -8.485 126 HG2 LYS 19 1HG LYS 19 4.248 -0.179 -7.815 127 HG3 LYS 19 2HG LYS 19 3.486 -1.671 -7.259 128 HD2 LYS 19 1HD LYS 19 3.483 -2.475 -9.613 129 HD3 LYS 19 2HD LYS 19 4.385 -1.027 -10.066 130 HE2 LYS 19 1HE LYS 19 6.063 -2.597 -9.787 131 HE3 LYS 19 2HE LYS 19 6.041 -1.781 -8.225 132 HZ1 LYS 19 1HZ LYS 19 5.418 -4.513 -8.874 133 HZ2 LYS 19 2HZ LYS 19 4.258 -3.781 -7.885 134 HZ3 LYS 19 3HZ LYS 19 5.876 -3.830 -7.396 135 H THR 20 H THR 20 1.303 2.313 -8.404 136 HA THR 20 HA THR 20 -1.443 2.147 -8.958 137 HB THR 20 HB THR 20 -1.580 4.473 -8.100 138 HG1 THR 20 1HG THR 20 1.217 4.272 -8.398 139 HG21 THR 20 1HG2 THR 20 -1.681 2.864 -6.405 140 HG22 THR 20 2HG2 THR 20 -0.403 3.954 -5.866 141 HG23 THR 20 3HG2 THR 20 0.010 2.409 -6.609 142 H ALA 21 H ALA 21 1.145 3.304 -10.856 143 HA ALA 21 HA ALA 21 0.189 5.361 -12.352 144 HB1 ALA 21 1HB ALA 21 1.558 2.978 -13.584 145 HB2 ALA 21 2HB ALA 21 1.605 4.655 -14.129 146 HB3 ALA 21 3HB ALA 21 2.394 4.196 -12.620 147 H GLY 22 H GLY 22 -1.407 5.720 -13.778 148 HA2 GLY 22 1HA GLY 22 -2.729 4.879 -15.666 149 HA3 GLY 22 2HA GLY 22 -2.905 3.376 -14.773 150 H TYR 23 H TYR 23 -3.550 4.335 -12.255 151 HA TYR 23 HA TYR 23 -6.318 4.938 -12.624 152 HB2 TYR 23 1HB TYR 23 -4.687 4.880 -10.075 153 HB3 TYR 23 2HB TYR 23 -6.444 4.877 -10.177 154 HD1 TYR 23 1HD TYR 23 -7.465 2.906 -11.605 155 HD2 TYR 23 2HD TYR 23 -3.588 2.857 -9.854 156 HE1 TYR 23 1HE TYR 23 -7.460 0.448 -11.699 157 HE2 TYR 23 2HE TYR 23 -3.572 0.400 -9.943 158 HH TYR 23 HH TYR 23 -4.725 -1.400 -11.342 159 HA PRO 24 HA PRO 24 -5.750 9.358 -12.744 160 HB2 PRO 24 1HB PRO 24 -8.389 9.960 -12.964 161 HB3 PRO 24 2HB PRO 24 -7.421 9.374 -14.322 162 HG2 PRO 24 1HG PRO 24 -9.296 7.865 -12.542 163 HG3 PRO 24 2HG PRO 24 -9.105 7.771 -14.302 164 HD2 PRO 24 1HD PRO 24 -8.020 5.947 -12.618 165 HD3 PRO 24 2HD PRO 24 -7.254 6.405 -14.153 166 H ASN 25 H ASN 25 -7.986 7.664 -10.603 167 HA ASN 25 HA ASN 25 -8.196 9.947 -8.823 168 HB2 ASN 25 1HB ASN 25 -9.348 7.154 -8.687 169 HB3 ASN 25 2HB ASN 25 -9.629 8.391 -7.466 170 HD21 ASN 25 1HD2 ASN 25 -11.099 6.921 -9.860 171 HD22 ASN 25 2HD2 ASN 25 -12.078 8.196 -10.496 172 H VAL 26 H VAL 26 -5.654 8.334 -9.340 173 HA VAL 26 HA VAL 26 -4.980 7.942 -6.502 174 HB VAL 26 HB VAL 26 -3.975 6.206 -8.761 175 HG11 VAL 26 1HG1 VAL 26 -3.496 6.173 -5.788 176 HG12 VAL 26 2HG1 VAL 26 -3.103 4.823 -6.855 177 HG13 VAL 26 3HG1 VAL 26 -2.306 6.381 -7.073 178 HG21 VAL 26 1HG2 VAL 26 -5.418 4.512 -8.075 179 HG22 VAL 26 2HG2 VAL 26 -5.744 5.283 -6.523 180 HG23 VAL 26 3HG2 VAL 26 -6.426 5.957 -8.004 181 H ASN 27 H ASN 27 -2.829 8.415 -5.920 182 HA ASN 27 HA ASN 27 -0.848 9.242 -7.760 183 HB2 ASN 27 1HB ASN 27 -2.686 11.152 -7.673 184 HB3 ASN 27 2HB ASN 27 -1.824 11.595 -6.201 185 HD21 ASN 27 1HD2 ASN 27 -1.401 10.964 -9.642 186 HD22 ASN 27 2HD2 ASN 27 -0.046 12.017 -9.852 187 H VAL 28 H VAL 28 0.880 8.528 -6.711 188 HA VAL 28 HA VAL 28 0.995 8.747 -3.793 189 HB VAL 28 HB VAL 28 2.819 7.226 -5.659 190 HG11 VAL 28 1HG1 VAL 28 2.673 6.395 -2.871 191 HG12 VAL 28 2HG1 VAL 28 4.081 6.679 -3.897 192 HG13 VAL 28 3HG1 VAL 28 3.300 8.031 -3.075 193 HG21 VAL 28 1HG2 VAL 28 0.227 6.617 -5.162 194 HG22 VAL 28 2HG2 VAL 28 1.477 5.423 -5.516 195 HG23 VAL 28 3HG2 VAL 28 1.029 5.763 -3.843 196 H HIS 29 H HIS 29 1.330 11.125 -4.120 197 HA HIS 29 HA HIS 29 4.039 11.834 -4.963 198 HB2 HIS 29 1HB HIS 29 2.020 13.146 -5.737 199 HB3 HIS 29 2HB HIS 29 1.838 13.704 -4.077 200 HD1 HIS 29 1HD HIS 29 3.497 14.512 -7.192 201 HD2 HIS 29 2HD HIS 29 4.202 15.207 -3.156 202 HE1 HIS 29 1HE HIS 29 5.154 16.403 -7.114 203 HE2 HIS 29 2HE HIS 29 5.630 16.748 -4.665 204 H ASN 30 H ASN 30 2.135 11.372 -2.132 205 HA ASN 30 HA ASN 30 4.433 12.157 -0.487 206 HB2 ASN 30 1HB ASN 30 2.498 12.922 1.186 207 HB3 ASN 30 2HB ASN 30 3.209 14.027 0.012 208 HD21 ASN 30 1HD2 ASN 30 0.436 12.106 0.831 209 HD22 ASN 30 2HD2 ASN 30 -0.648 12.821 -0.309 210 H PHE 31 H PHE 31 3.838 11.479 1.927 211 HA PHE 31 HA PHE 31 2.731 8.750 1.796 212 HB2 PHE 31 1HB PHE 31 5.187 9.784 3.192 213 HB3 PHE 31 2HB PHE 31 4.385 8.314 3.734 214 HD1 PHE 31 2HD PHE 31 3.851 6.616 1.742 215 HD2 PHE 31 1HD PHE 31 6.928 9.555 1.728 216 HE1 PHE 31 2HE PHE 31 5.074 5.322 0.043 217 HE2 PHE 31 1HE PHE 31 8.157 8.266 0.029 218 HZ PHE 31 HZ PHE 31 7.230 6.146 -0.815 219 H THR 32 H THR 32 1.481 11.339 2.542 220 HA THR 32 HA THR 32 0.606 10.563 5.243 221 HB THR 32 HB THR 32 0.349 12.915 5.858 222 HG1 THR 32 1HG THR 32 0.353 14.357 4.322 223 HG21 THR 32 1HG2 THR 32 2.438 11.903 6.477 224 HG22 THR 32 2HG2 THR 32 2.768 13.544 5.921 225 HG23 THR 32 3HG2 THR 32 3.099 12.173 4.864 226 H THR 33 H THR 33 -0.315 12.975 2.780 227 HA THR 33 HA THR 33 -3.119 12.353 3.222 228 HB THR 33 HB THR 33 -3.599 14.243 1.759 229 HG1 THR 33 1HG THR 33 -2.127 15.023 0.440 230 HG21 THR 33 1HG2 THR 33 -2.417 14.383 4.242 231 HG22 THR 33 2HG2 THR 33 -3.208 15.717 3.402 232 HG23 THR 33 3HG2 THR 33 -1.461 15.513 3.284 233 H SER 34 H SER 34 -0.959 10.711 1.644 234 HA SER 34 HA SER 34 -2.386 10.451 -0.898 235 HB2 SER 34 1HB SER 34 0.339 9.753 0.065 236 HB3 SER 34 2HB SER 34 -0.366 8.707 -1.167 237 HG SER 34 HG SER 34 0.355 10.206 -2.464 238 H TRP 35 H TRP 35 -1.926 8.861 2.128 239 HA TRP 35 HA TRP 35 -3.402 6.518 1.119 240 HB2 TRP 35 1HB TRP 35 -1.698 6.518 3.605 241 HB3 TRP 35 2HB TRP 35 -2.296 5.137 2.690 242 HD1 TRP 35 HD TRP 35 0.184 8.080 2.179 243 HE1 TRP 35 1HE TRP 35 2.112 7.239 0.695 244 HE3 TRP 35 3HE TRP 35 -1.526 3.357 1.228 245 HZ2 TRP 35 2HZ TRP 35 2.814 4.884 -0.695 246 HZ3 TRP 35 3HZ TRP 35 -0.167 1.873 -0.187 247 HH2 TRP 35 HH TRP 35 1.958 2.624 -1.128 248 H ARG 36 H ARG 36 -3.600 9.253 3.027 249 HA ARG 36 HA ARG 36 -5.011 8.519 5.282 250 HB2 ARG 36 1HB ARG 36 -4.332 10.795 4.996 251 HB3 ARG 36 2HB ARG 36 -5.282 10.957 3.526 252 HG2 ARG 36 1HG ARG 36 -7.301 10.450 5.066 253 HG3 ARG 36 2HG ARG 36 -6.196 10.896 6.368 254 HD2 ARG 36 1HD ARG 36 -6.070 13.084 5.695 255 HD3 ARG 36 2HD ARG 36 -6.419 12.699 4.010 256 HE ARG 36 HE ARG 36 -8.312 13.336 6.060 257 HH11 ARG 36 1HH1 ARG 36 -7.839 11.589 3.086 258 HH12 ARG 36 2HH1 ARG 36 -9.514 11.624 2.647 259 HH21 ARG 36 1HH2 ARG 36 -10.520 13.389 5.493 260 HH22 ARG 36 2HH2 ARG 36 -11.039 12.649 4.016 261 H ASP 37 H ASP 37 -6.129 8.799 1.967 262 HA ASP 37 HA ASP 37 -8.903 8.432 2.658 263 HB2 ASP 37 1HB ASP 37 -7.926 9.677 0.604 264 HB3 ASP 37 2HB ASP 37 -7.768 8.071 -0.102 265 H GLY 38 H GLY 38 -6.257 6.440 1.454 266 HA2 GLY 38 1HA GLY 38 -6.203 4.104 2.121 267 HA3 GLY 38 2HA GLY 38 -7.950 4.072 1.941 268 H LEU 39 H LEU 39 -8.076 5.440 -0.557 269 HA LEU 39 HA LEU 39 -8.199 3.525 -2.408 270 HB2 LEU 39 1HB LEU 39 -7.332 6.375 -2.675 271 HB3 LEU 39 2HB LEU 39 -7.384 5.328 -4.092 272 HG LEU 39 HG LEU 39 -9.716 6.058 -2.322 273 HD11 LEU 39 1HD1 LEU 39 -9.888 6.702 -5.139 274 HD12 LEU 39 2HD1 LEU 39 -8.527 7.505 -4.358 275 HD13 LEU 39 3HD1 LEU 39 -10.159 7.722 -3.727 276 HD21 LEU 39 1HD2 LEU 39 -11.025 4.899 -4.134 277 HD22 LEU 39 2HD2 LEU 39 -10.082 3.842 -3.083 278 HD23 LEU 39 3HD2 LEU 39 -9.496 4.228 -4.702 279 H ALA 40 H ALA 40 -5.216 5.345 -1.730 280 HA ALA 40 HA ALA 40 -3.481 4.291 -3.534 281 HB1 ALA 40 1HB ALA 40 -3.254 5.488 -0.915 282 HB2 ALA 40 2HB ALA 40 -1.990 4.289 -1.189 283 HB3 ALA 40 3HB ALA 40 -2.191 5.631 -2.315 284 H PHE 41 H PHE 41 -4.115 2.859 -0.326 285 HA PHE 41 HA PHE 41 -2.593 0.541 -0.719 286 HB2 PHE 41 1HB PHE 41 -4.970 1.067 1.072 287 HB3 PHE 41 2HB PHE 41 -4.016 -0.411 1.135 288 HD1 PHE 41 1HD PHE 41 -1.319 0.284 1.067 289 HD2 PHE 41 2HD PHE 41 -4.521 2.477 2.811 290 HE1 PHE 41 1HE PHE 41 0.267 1.370 2.604 291 HE2 PHE 41 2HE PHE 41 -2.942 3.568 4.349 292 HZ PHE 41 HZ PHE 41 -0.544 3.016 4.247 293 H ASN 42 H ASN 42 -6.025 1.190 -1.305 294 HA ASN 42 HA ASN 42 -6.642 -1.465 -2.134 295 HB2 ASN 42 1HB ASN 42 -8.087 1.158 -2.554 296 HB3 ASN 42 2HB ASN 42 -8.742 -0.409 -3.019 297 HD21 ASN 42 1HD2 ASN 42 -8.820 1.880 -0.707 298 HD22 ASN 42 2HD2 ASN 42 -9.297 0.923 0.650 299 H ALA 43 H ALA 43 -4.705 0.759 -3.544 300 HA ALA 43 HA ALA 43 -5.502 0.142 -6.294 301 HB1 ALA 43 1HB ALA 43 -4.144 1.942 -6.994 302 HB2 ALA 43 2HB ALA 43 -4.995 2.506 -5.556 303 HB3 ALA 43 3HB ALA 43 -3.305 2.012 -5.444 304 H ILE 44 H ILE 44 -3.124 -0.623 -3.913 305 HA ILE 44 HA ILE 44 -1.168 -1.632 -5.766 306 HB ILE 44 HB ILE 44 -1.353 -2.160 -2.800 307 HG12 ILE 44 1HG1 ILE 44 0.135 0.037 -4.256 308 HG13 ILE 44 2HG1 ILE 44 -1.325 0.263 -3.298 309 HG21 ILE 44 1HG2 ILE 44 0.881 -2.840 -2.893 310 HG22 ILE 44 2HG2 ILE 44 0.144 -3.583 -4.312 311 HG23 ILE 44 3HG2 ILE 44 1.126 -2.128 -4.489 312 HD11 ILE 44 1HD1 ILE 44 1.027 0.754 -2.288 313 HD12 ILE 44 2HD1 ILE 44 -0.224 -0.017 -1.311 314 HD13 ILE 44 3HD1 ILE 44 1.058 -0.991 -2.033 315 H VAL 45 H VAL 45 -3.319 -3.150 -3.358 316 HA VAL 45 HA VAL 45 -2.768 -5.805 -4.159 317 HB VAL 45 HB VAL 45 -5.226 -4.749 -2.753 318 HG11 VAL 45 1HG1 VAL 45 -4.319 -7.439 -3.511 319 HG12 VAL 45 2HG1 VAL 45 -4.846 -7.271 -1.835 320 HG13 VAL 45 3HG1 VAL 45 -5.939 -6.845 -3.153 321 HG21 VAL 45 1HG2 VAL 45 -3.675 -5.976 -0.864 322 HG22 VAL 45 2HG2 VAL 45 -2.468 -5.184 -1.878 323 HG23 VAL 45 3HG2 VAL 45 -3.757 -4.235 -1.138 324 H HIS 46 H HIS 46 -4.827 -3.361 -5.444 325 HA HIS 46 HA HIS 46 -6.603 -5.135 -6.838 326 HB2 HIS 46 1HB HIS 46 -7.220 -2.811 -6.149 327 HB3 HIS 46 2HB HIS 46 -6.093 -2.199 -7.356 328 HD1 HIS 46 1HD HIS 46 -7.204 -1.567 -9.459 329 HD2 HIS 46 2HD HIS 46 -9.211 -4.654 -7.536 330 HE1 HIS 46 1HE HIS 46 -9.205 -2.066 -10.899 331 HE2 HIS 46 2HE HIS 46 -10.450 -3.879 -9.672 332 H LYS 47 H LYS 47 -3.645 -3.396 -7.587 333 HA LYS 47 HA LYS 47 -3.715 -3.944 -10.392 334 HB2 LYS 47 1HB LYS 47 -2.465 -2.042 -9.356 335 HB3 LYS 47 2HB LYS 47 -1.333 -3.207 -8.683 336 HG2 LYS 47 1HG LYS 47 -0.193 -2.619 -10.554 337 HG3 LYS 47 2HG LYS 47 -1.149 -3.948 -11.214 338 HD2 LYS 47 1HD LYS 47 -2.608 -2.516 -12.317 339 HD3 LYS 47 2HD LYS 47 -2.203 -1.146 -11.280 340 HE2 LYS 47 1HE LYS 47 0.021 -1.042 -12.304 341 HE3 LYS 47 2HE LYS 47 -0.394 -2.405 -13.342 342 HZ1 LYS 47 1HZ LYS 47 -2.293 -0.967 -14.145 343 HZ2 LYS 47 2HZ LYS 47 -0.742 -0.502 -14.633 344 HZ3 LYS 47 3HZ LYS 47 -1.520 0.331 -13.383 345 H HIS 48 H HIS 48 -2.367 -5.527 -7.570 346 HA HIS 48 HA HIS 48 -1.046 -7.533 -9.233 347 HB2 HIS 48 1HB HIS 48 -1.093 -7.597 -6.233 348 HB3 HIS 48 2HB HIS 48 0.148 -8.185 -7.336 349 HD1 HIS 48 1HD HIS 48 1.046 -5.882 -8.884 350 HD2 HIS 48 2HD HIS 48 -0.114 -5.466 -4.916 351 HE1 HIS 48 1HE HIS 48 2.139 -3.763 -8.083 352 HE2 HIS 48 2HE HIS 48 1.491 -3.577 -5.655 353 H ARG 49 H ARG 49 -3.491 -7.351 -6.658 354 HA ARG 49 HA ARG 49 -4.623 -9.865 -7.683 355 HB2 ARG 49 1HB ARG 49 -3.460 -10.432 -5.646 356 HB3 ARG 49 2HB ARG 49 -4.214 -9.092 -4.792 357 HG2 ARG 49 1HG ARG 49 -5.462 -10.868 -4.055 358 HG3 ARG 49 2HG ARG 49 -6.432 -10.304 -5.417 359 HD2 ARG 49 1HD ARG 49 -6.275 -12.685 -5.557 360 HD3 ARG 49 2HD ARG 49 -5.285 -11.997 -6.843 361 HE ARG 49 HE ARG 49 -3.675 -12.445 -4.587 362 HH11 ARG 49 1HH1 ARG 49 -5.408 -14.209 -7.038 363 HH12 ARG 49 2HH1 ARG 49 -4.345 -15.577 -6.990 364 HH21 ARG 49 1HH2 ARG 49 -2.268 -14.240 -4.516 365 HH22 ARG 49 2HH2 ARG 49 -2.560 -15.593 -5.554 366 HA PRO 50 HA PRO 50 -7.826 -6.523 -7.594 367 HB2 PRO 50 1HB PRO 50 -8.886 -7.165 -10.009 368 HB3 PRO 50 2HB PRO 50 -7.501 -6.082 -9.824 369 HG2 PRO 50 1HG PRO 50 -7.551 -8.989 -10.540 370 HG3 PRO 50 2HG PRO 50 -6.580 -7.680 -11.240 371 HD2 PRO 50 1HD PRO 50 -5.582 -9.422 -9.424 372 HD3 PRO 50 2HD PRO 50 -5.040 -7.735 -9.527 373 H ASP 51 H ASP 51 -7.703 -9.808 -7.306 374 HA ASP 51 HA ASP 51 -10.455 -10.484 -7.683 375 HB2 ASP 51 1HB ASP 51 -8.547 -12.118 -7.785 376 HB3 ASP 51 2HB ASP 51 -8.398 -11.967 -6.036 377 H LEU 52 H LEU 52 -8.458 -9.589 -4.911 378 HA LEU 52 HA LEU 52 -10.358 -10.095 -2.903 379 HB2 LEU 52 1HB LEU 52 -8.309 -7.903 -2.786 380 HB3 LEU 52 2HB LEU 52 -8.974 -8.851 -1.456 381 HG LEU 52 HG LEU 52 -7.157 -9.955 -3.597 382 HD11 LEU 52 1HD1 LEU 52 -6.517 -8.277 -1.424 383 HD12 LEU 52 2HD1 LEU 52 -5.417 -9.153 -2.487 384 HD13 LEU 52 3HD1 LEU 52 -5.988 -9.904 -0.997 385 HD21 LEU 52 1HD2 LEU 52 -6.930 -11.660 -1.578 386 HD22 LEU 52 2HD2 LEU 52 -8.190 -11.822 -2.803 387 HD23 LEU 52 3HD2 LEU 52 -8.565 -11.088 -1.242 388 H LEU 53 H LEU 53 -9.432 -6.966 -4.353 389 HA LEU 53 HA LEU 53 -12.157 -6.008 -3.767 390 HB2 LEU 53 1HB LEU 53 -11.197 -3.759 -3.497 391 HB3 LEU 53 2HB LEU 53 -10.609 -4.908 -2.297 392 HG LEU 53 HG LEU 53 -9.016 -4.234 -4.754 393 HD11 LEU 53 1HD1 LEU 53 -7.842 -2.551 -3.507 394 HD12 LEU 53 2HD1 LEU 53 -8.830 -2.859 -2.079 395 HD13 LEU 53 3HD1 LEU 53 -9.560 -2.154 -3.521 396 HD21 LEU 53 1HD2 LEU 53 -7.404 -4.754 -2.532 397 HD22 LEU 53 2HD2 LEU 53 -7.697 -5.811 -3.914 398 HD23 LEU 53 3HD2 LEU 53 -8.698 -5.952 -2.467 399 H ASP 54 H ASP 54 -12.635 -3.967 -5.142 400 HA ASP 54 HA ASP 54 -11.540 -4.264 -7.850 401 HB2 ASP 54 1HB ASP 54 -14.386 -4.519 -6.989 402 HB3 ASP 54 2HB ASP 54 -14.051 -3.735 -8.531 403 H PHE 55 H PHE 55 -10.352 -2.355 -7.425 404 HA PHE 55 HA PHE 55 -11.018 0.022 -6.410 405 HB2 PHE 55 1HB PHE 55 -8.965 -0.747 -7.912 406 HB3 PHE 55 2HB PHE 55 -9.837 0.156 -9.147 407 HD1 PHE 55 1HD PHE 55 -8.358 0.438 -5.762 408 HD2 PHE 55 2HD PHE 55 -9.714 2.485 -9.238 409 HE1 PHE 55 1HE PHE 55 -7.402 2.533 -4.896 410 HE2 PHE 55 2HE PHE 55 -8.759 4.583 -8.379 411 HZ PHE 55 HZ PHE 55 -7.601 4.609 -6.205 412 H GLU 56 H GLU 56 -12.217 -1.244 -9.463 413 HA GLU 56 HA GLU 56 -13.441 1.072 -10.447 414 HB2 GLU 56 1HB GLU 56 -14.832 -0.443 -11.791 415 HB3 GLU 56 2HB GLU 56 -13.141 -0.924 -11.814 416 HG2 GLU 56 1HG GLU 56 -13.592 -2.671 -10.191 417 HG3 GLU 56 2HG GLU 56 -15.280 -2.171 -10.103 418 H SER 57 H SER 57 -14.747 -1.509 -8.383 419 HA SER 57 HA SER 57 -17.323 -0.314 -8.135 420 HB2 SER 57 1HB SER 57 -16.621 -2.788 -7.760 421 HB3 SER 57 2HB SER 57 -16.187 -2.254 -6.136 422 HG SER 57 HG SER 57 -18.488 -1.279 -6.337 423 H LEU 58 H LEU 58 -14.339 -0.156 -6.302 424 HA LEU 58 HA LEU 58 -15.424 1.121 -4.008 425 HB2 LEU 58 1HB LEU 58 -12.599 1.213 -5.054 426 HB3 LEU 58 2HB LEU 58 -13.123 1.611 -3.419 427 HG LEU 58 HG LEU 58 -13.306 -1.131 -4.662 428 HD11 LEU 58 1HD1 LEU 58 -11.459 -1.658 -3.060 429 HD12 LEU 58 2HD1 LEU 58 -11.271 0.076 -2.799 430 HD13 LEU 58 3HD1 LEU 58 -10.997 -0.610 -4.401 431 HD21 LEU 58 1HD2 LEU 58 -13.895 -0.046 -1.921 432 HD22 LEU 58 2HD2 LEU 58 -13.591 -1.757 -2.218 433 HD23 LEU 58 3HD2 LEU 58 -14.959 -0.957 -2.993 434 H LYS 59 H LYS 59 -14.898 3.340 -3.328 435 HA LYS 59 HA LYS 59 -14.817 5.212 -5.601 436 HB2 LYS 59 1HB LYS 59 -16.332 6.690 -4.260 437 HB3 LYS 59 2HB LYS 59 -17.078 5.198 -4.815 438 HG2 LYS 59 1HG LYS 59 -16.664 4.218 -2.575 439 HG3 LYS 59 2HG LYS 59 -16.066 5.792 -2.042 440 HD2 LYS 59 1HD LYS 59 -18.297 5.786 -1.357 441 HD3 LYS 59 2HD LYS 59 -18.328 6.699 -2.867 442 HE2 LYS 59 1HE LYS 59 -19.124 4.777 -4.072 443 HE3 LYS 59 2HE LYS 59 -18.930 3.752 -2.651 444 HZ1 LYS 59 1HZ LYS 59 -21.028 4.231 -2.175 445 HZ2 LYS 59 2HZ LYS 59 -21.118 5.414 -3.381 446 HZ3 LYS 59 3HZ LYS 59 -20.549 5.818 -1.841 447 H LYS 60 H LYS 60 -14.607 7.580 -4.437 448 HA LYS 60 HA LYS 60 -12.124 7.371 -2.875 449 HB2 LYS 60 1HB LYS 60 -11.604 9.624 -3.701 450 HB3 LYS 60 2HB LYS 60 -11.869 8.498 -5.025 451 HG2 LYS 60 1HG LYS 60 -14.186 10.092 -4.083 452 HG3 LYS 60 2HG LYS 60 -12.927 10.919 -5.004 453 HD2 LYS 60 1HD LYS 60 -13.949 8.331 -6.050 454 HD3 LYS 60 2HD LYS 60 -14.993 9.749 -6.186 455 HE2 LYS 60 1HE LYS 60 -12.127 9.780 -7.085 456 HE3 LYS 60 2HE LYS 60 -13.432 9.243 -8.142 457 HZ1 LYS 60 1HZ LYS 60 -13.995 11.334 -8.553 458 HZ2 LYS 60 2HZ LYS 60 -12.595 11.830 -7.746 459 HZ3 LYS 60 3HZ LYS 60 -14.061 11.726 -6.909 460 H CYS 61 H CYS 61 -15.341 7.973 -2.482 461 HA CYS 61 HA CYS 61 -15.147 10.165 -0.615 462 HB2 CYS 61 1HB CYS 61 -17.407 8.360 -1.469 463 HB3 CYS 61 2HB CYS 61 -17.593 9.555 -0.192 464 HG CYS 61 HG CYS 61 -17.971 11.601 -1.709 465 H ASN 62 H ASN 62 -15.980 6.708 -0.381 466 HA ASN 62 HA ASN 62 -15.916 6.759 2.493 467 HB2 ASN 62 1HB ASN 62 -17.268 5.198 0.859 468 HB3 ASN 62 2HB ASN 62 -15.809 4.213 0.920 469 HD21 ASN 62 1HD2 ASN 62 -15.080 4.756 3.581 470 HD22 ASN 62 2HD2 ASN 62 -16.235 3.994 4.617 471 H ALA 63 H ALA 63 -14.052 6.933 3.546 472 HA ALA 63 HA ALA 63 -11.644 5.689 2.422 473 HB1 ALA 63 1HB ALA 63 -10.363 7.215 3.614 474 HB2 ALA 63 2HB ALA 63 -11.773 8.163 3.141 475 HB3 ALA 63 3HB ALA 63 -11.646 7.531 4.782 476 H HIS 64 H HIS 64 -12.987 6.220 5.688 477 HA HIS 64 HA HIS 64 -11.611 4.519 7.209 478 HB2 HIS 64 1HB HIS 64 -13.801 5.831 7.728 479 HB3 HIS 64 2HB HIS 64 -14.603 4.309 7.352 480 HD1 HIS 64 1HD HIS 64 -12.383 2.486 8.706 481 HD2 HIS 64 2HD HIS 64 -14.282 5.746 10.447 482 HE1 HIS 64 1HE HIS 64 -12.204 2.122 11.188 483 HE2 HIS 64 2HE HIS 64 -13.434 4.063 12.219 484 H TYR 65 H TYR 65 -14.398 3.431 5.268 485 HA TYR 65 HA TYR 65 -14.059 0.690 5.811 486 HB2 TYR 65 1HB TYR 65 -16.162 1.585 4.957 487 HB3 TYR 65 2HB TYR 65 -15.381 2.044 3.449 488 HD1 TYR 65 2HD TYR 65 -14.697 0.318 1.831 489 HD2 TYR 65 1HD TYR 65 -16.818 -0.687 5.380 490 HE1 TYR 65 2HE TYR 65 -15.239 -1.883 0.878 491 HE2 TYR 65 1HE TYR 65 -17.366 -2.891 4.436 492 HH TYR 65 HH TYR 65 -16.761 -4.386 2.780 493 H ASN 66 H ASN 66 -12.982 2.697 3.088 494 HA ASN 66 HA ASN 66 -11.838 0.697 1.526 495 HB2 ASN 66 1HB ASN 66 -11.205 3.625 1.847 496 HB3 ASN 66 2HB ASN 66 -10.315 2.607 0.718 497 HD21 ASN 66 1HD2 ASN 66 -11.319 4.391 -0.657 498 HD22 ASN 66 2HD2 ASN 66 -12.842 4.015 -1.383 499 H LEU 67 H LEU 67 -10.609 2.360 4.353 500 HA LEU 67 HA LEU 67 -7.928 1.384 4.088 501 HB2 LEU 67 1HB LEU 67 -9.431 2.664 6.357 502 HB3 LEU 67 2HB LEU 67 -7.745 2.165 6.483 503 HG LEU 67 HG LEU 67 -8.654 4.098 4.373 504 HD11 LEU 67 1HD1 LEU 67 -8.424 5.915 5.769 505 HD12 LEU 67 2HD1 LEU 67 -7.488 5.018 6.963 506 HD13 LEU 67 3HD1 LEU 67 -9.226 4.752 6.825 507 HD21 LEU 67 1HD2 LEU 67 -6.244 4.839 4.716 508 HD22 LEU 67 2HD2 LEU 67 -6.496 3.277 3.936 509 HD23 LEU 67 3HD2 LEU 67 -6.033 3.349 5.637 510 H GLN 68 H GLN 68 -10.314 0.770 6.667 511 HA GLN 68 HA GLN 68 -9.163 -1.380 7.865 512 HB2 GLN 68 1HB GLN 68 -11.186 -1.786 8.876 513 HB3 GLN 68 2HB GLN 68 -11.457 -0.153 8.282 514 HG2 GLN 68 1HG GLN 68 -12.639 -1.039 6.347 515 HG3 GLN 68 2HG GLN 68 -12.347 -2.683 6.914 516 HE21 GLN 68 1HE2 GLN 68 -14.775 -2.586 6.637 517 HE22 GLN 68 2HE2 GLN 68 -15.693 -2.141 8.032 518 H ASN 69 H ASN 69 -11.284 -1.486 5.017 519 HA ASN 69 HA ASN 69 -11.387 -4.240 4.671 520 HB2 ASN 69 1HB ASN 69 -12.720 -2.522 3.408 521 HB3 ASN 69 2HB ASN 69 -11.285 -2.206 2.438 522 HD21 ASN 69 1HD2 ASN 69 -10.959 -3.401 0.692 523 HD22 ASN 69 2HD2 ASN 69 -11.813 -4.849 0.293 524 H ALA 70 H ALA 70 -9.144 -1.944 3.116 525 HA ALA 70 HA ALA 70 -7.577 -3.817 1.778 526 HB1 ALA 70 1HB ALA 70 -6.265 -1.388 2.883 527 HB2 ALA 70 2HB ALA 70 -6.178 -2.086 1.265 528 HB3 ALA 70 3HB ALA 70 -7.607 -1.177 1.759 529 H PHE 71 H PHE 71 -7.004 -2.316 4.961 530 HA PHE 71 HA PHE 71 -4.649 -3.614 5.613 531 HB2 PHE 71 1HB PHE 71 -6.915 -2.716 7.399 532 HB3 PHE 71 2HB PHE 71 -5.355 -3.263 8.004 533 HD1 PHE 71 2HD PHE 71 -3.505 -2.033 6.090 534 HD2 PHE 71 1HD PHE 71 -7.011 -0.465 7.925 535 HE1 PHE 71 2HE PHE 71 -2.611 0.245 5.843 536 HE2 PHE 71 1HE PHE 71 -6.122 1.816 7.682 537 HZ PHE 71 HZ PHE 71 -3.919 2.174 6.641 538 H ASN 72 H ASN 72 -7.985 -4.654 6.268 539 HA ASN 72 HA ASN 72 -7.312 -7.054 7.578 540 HB2 ASN 72 1HB ASN 72 -9.818 -6.449 5.992 541 HB3 ASN 72 2HB ASN 72 -9.635 -7.698 7.219 542 HD21 ASN 72 1HD2 ASN 72 -11.320 -5.189 6.913 543 HD22 ASN 72 2HD2 ASN 72 -11.126 -4.375 8.425 544 H LEU 73 H LEU 73 -8.604 -6.649 4.273 545 HA LEU 73 HA LEU 73 -8.353 -9.171 3.315 546 HB2 LEU 73 1HB LEU 73 -7.930 -6.512 2.019 547 HB3 LEU 73 2HB LEU 73 -7.663 -7.990 1.097 548 HG LEU 73 HG LEU 73 -10.259 -7.211 2.425 549 HD11 LEU 73 1HD1 LEU 73 -9.893 -5.727 0.608 550 HD12 LEU 73 2HD1 LEU 73 -11.021 -6.960 0.049 551 HD13 LEU 73 3HD1 LEU 73 -9.326 -7.034 -0.431 552 HD21 LEU 73 1HD2 LEU 73 -10.924 -9.085 0.643 553 HD22 LEU 73 2HD2 LEU 73 -10.498 -9.463 2.313 554 HD23 LEU 73 3HD2 LEU 73 -9.296 -9.640 1.034 555 H ALA 74 H ALA 74 -5.753 -6.809 3.669 556 HA ALA 74 HA ALA 74 -3.770 -8.519 2.483 557 HB1 ALA 74 1HB ALA 74 -3.265 -6.276 2.210 558 HB2 ALA 74 2HB ALA 74 -3.706 -5.869 3.869 559 HB3 ALA 74 3HB ALA 74 -2.210 -6.746 3.544 560 H GLU 75 H GLU 75 -4.952 -7.854 5.702 561 HA GLU 75 HA GLU 75 -2.766 -9.200 7.017 562 HB2 GLU 75 1HB GLU 75 -3.958 -7.338 8.104 563 HB3 GLU 75 2HB GLU 75 -5.436 -8.290 8.107 564 HG2 GLU 75 1HG GLU 75 -3.006 -9.404 9.411 565 HG3 GLU 75 2HG GLU 75 -3.918 -8.140 10.232 566 H LYS 76 H LYS 76 -5.621 -10.145 5.465 567 HA LYS 76 HA LYS 76 -5.696 -12.701 6.919 568 HB2 LYS 76 1HB LYS 76 -7.807 -11.335 6.763 569 HB3 LYS 76 2HB LYS 76 -7.778 -11.604 5.026 570 HG2 LYS 76 1HG LYS 76 -8.338 -13.815 5.217 571 HG3 LYS 76 2HG LYS 76 -7.658 -13.961 6.839 572 HD2 LYS 76 1HD LYS 76 -9.971 -14.048 7.177 573 HD3 LYS 76 2HD LYS 76 -9.542 -12.380 7.564 574 HE2 LYS 76 1HE LYS 76 -11.514 -12.330 6.223 575 HE3 LYS 76 2HE LYS 76 -10.176 -11.763 5.226 576 HZ1 LYS 76 1HZ LYS 76 -10.497 -13.411 3.798 577 HZ2 LYS 76 2HZ LYS 76 -11.938 -13.766 4.606 578 HZ3 LYS 76 3HZ LYS 76 -10.515 -14.582 5.017 579 H GLU 77 H GLU 77 -5.989 -11.405 3.610 580 HA GLU 77 HA GLU 77 -5.630 -13.909 2.340 581 HB2 GLU 77 1HB GLU 77 -5.133 -11.144 1.225 582 HB3 GLU 77 2HB GLU 77 -5.340 -12.615 0.286 583 HG2 GLU 77 1HG GLU 77 -7.439 -11.438 2.091 584 HG3 GLU 77 2HG GLU 77 -7.348 -11.174 0.351 585 H LEU 78 H LEU 78 -3.412 -11.123 2.199 586 HA LEU 78 HA LEU 78 -1.187 -12.675 1.425 587 HB2 LEU 78 1HB LEU 78 -1.089 -9.998 2.793 588 HB3 LEU 78 2HB LEU 78 0.112 -10.697 1.710 589 HG LEU 78 HG LEU 78 -2.665 -9.924 0.831 590 HD11 LEU 78 1HD1 LEU 78 -1.979 -7.815 1.149 591 HD12 LEU 78 2HD1 LEU 78 -1.000 -8.094 -0.292 592 HD13 LEU 78 3HD1 LEU 78 -0.286 -8.282 1.310 593 HD21 LEU 78 1HD2 LEU 78 -1.296 -9.832 -1.386 594 HD22 LEU 78 2HD2 LEU 78 -1.866 -11.380 -0.764 595 HD23 LEU 78 3HD2 LEU 78 -0.187 -10.896 -0.520 596 H GLY 79 H GLY 79 -2.195 -11.366 4.567 597 HA2 GLY 79 1HA GLY 79 -1.847 -12.542 6.606 598 HA3 GLY 79 2HA GLY 79 -0.500 -13.385 5.857 599 H LEU 80 H LEU 80 -1.044 -9.907 5.768 600 HA LEU 80 HA LEU 80 1.574 -9.512 6.986 601 HB2 LEU 80 1HB LEU 80 -0.340 -7.604 5.656 602 HB3 LEU 80 2HB LEU 80 1.214 -7.134 6.339 603 HG LEU 80 HG LEU 80 0.974 -9.176 4.144 604 HD11 LEU 80 1HD1 LEU 80 1.221 -6.184 3.925 605 HD12 LEU 80 2HD1 LEU 80 -0.035 -7.216 3.244 606 HD13 LEU 80 3HD1 LEU 80 1.612 -7.301 2.617 607 HD21 LEU 80 1HD2 LEU 80 3.337 -7.516 4.228 608 HD22 LEU 80 2HD2 LEU 80 3.193 -9.274 4.252 609 HD23 LEU 80 3HD2 LEU 80 3.086 -8.360 5.757 610 H THR 81 H THR 81 1.920 -8.631 8.950 611 HA THR 81 HA THR 81 -0.231 -8.541 10.817 612 HB THR 81 HB THR 81 2.617 -7.581 11.157 613 HG1 THR 81 1HG THR 81 3.031 -9.630 11.885 614 HG21 THR 81 1HG2 THR 81 2.147 -7.958 13.577 615 HG22 THR 81 2HG2 THR 81 0.450 -8.205 13.164 616 HG23 THR 81 3HG2 THR 81 1.210 -6.642 12.869 617 H LYS 82 H LYS 82 -1.616 -6.928 11.070 618 HA LYS 82 HA LYS 82 -1.398 -4.421 9.843 619 HB2 LYS 82 1HB LYS 82 -3.178 -5.626 11.901 620 HB3 LYS 82 2HB LYS 82 -3.186 -3.873 11.750 621 HG2 LYS 82 1HG LYS 82 -3.782 -4.053 9.406 622 HG3 LYS 82 2HG LYS 82 -3.711 -5.814 9.507 623 HD2 LYS 82 1HD LYS 82 -5.507 -4.250 11.326 624 HD3 LYS 82 2HD LYS 82 -6.010 -4.633 9.677 625 HE2 LYS 82 1HE LYS 82 -6.011 -6.927 10.081 626 HE3 LYS 82 2HE LYS 82 -4.976 -6.773 11.500 627 HZ1 LYS 82 1HZ LYS 82 -7.853 -6.141 11.254 628 HZ2 LYS 82 2HZ LYS 82 -6.917 -5.518 12.517 629 HZ3 LYS 82 3HZ LYS 82 -7.094 -7.191 12.343 630 H LEU 83 H LEU 83 0.075 -2.923 10.288 631 HA LEU 83 HA LEU 83 1.086 -2.645 13.017 632 HB2 LEU 83 1HB LEU 83 2.069 -1.050 10.689 633 HB3 LEU 83 2HB LEU 83 2.937 -1.566 12.134 634 HG LEU 83 HG LEU 83 2.061 -3.483 9.984 635 HD11 LEU 83 1HD1 LEU 83 3.964 -1.462 9.693 636 HD12 LEU 83 2HD1 LEU 83 3.748 -2.883 8.673 637 HD13 LEU 83 3HD1 LEU 83 4.885 -2.930 10.019 638 HD21 LEU 83 1HD2 LEU 83 2.855 -4.006 12.503 639 HD22 LEU 83 2HD2 LEU 83 4.419 -3.959 11.690 640 HD23 LEU 83 3HD2 LEU 83 3.170 -5.075 11.136 641 H LEU 84 H LEU 84 -0.952 -1.063 10.722 642 HA LEU 84 HA LEU 84 -1.204 1.235 12.551 643 HB2 LEU 84 1HB LEU 84 -1.676 1.196 9.574 644 HB3 LEU 84 2HB LEU 84 -1.847 2.592 10.635 645 HG LEU 84 HG LEU 84 0.751 1.158 10.097 646 HD11 LEU 84 1HD1 LEU 84 0.767 2.224 8.148 647 HD12 LEU 84 2HD1 LEU 84 0.869 3.730 9.059 648 HD13 LEU 84 3HD1 LEU 84 -0.702 3.114 8.546 649 HD21 LEU 84 1HD2 LEU 84 0.326 3.872 11.319 650 HD22 LEU 84 2HD2 LEU 84 1.802 2.906 11.278 651 HD23 LEU 84 3HD2 LEU 84 0.445 2.402 12.286 652 H ASP 85 H ASP 85 -3.453 2.401 11.770 653 HA ASP 85 HA ASP 85 -5.533 0.332 11.672 654 HB2 ASP 85 1HB ASP 85 -5.259 2.521 13.726 655 HB3 ASP 85 2HB ASP 85 -6.803 1.746 13.389 656 HA PRO 86 HA PRO 86 -7.478 2.951 8.735 657 HB2 PRO 86 1HB PRO 86 -10.084 2.299 9.126 658 HB3 PRO 86 2HB PRO 86 -8.930 1.215 8.341 659 HG2 PRO 86 1HG PRO 86 -9.905 1.214 11.171 660 HG3 PRO 86 2HG PRO 86 -9.660 -0.156 10.072 661 HD2 PRO 86 1HD PRO 86 -7.875 0.503 11.999 662 HD3 PRO 86 2HD PRO 86 -7.387 -0.214 10.450 663 H GLU 87 H GLU 87 -7.916 3.346 12.068 664 HA GLU 87 HA GLU 87 -9.475 5.812 11.669 665 HB2 GLU 87 1HB GLU 87 -9.741 5.576 14.251 666 HB3 GLU 87 2HB GLU 87 -10.719 4.581 13.182 667 HG2 GLU 87 1HG GLU 87 -9.419 2.670 13.592 668 HG3 GLU 87 2HG GLU 87 -8.123 3.612 14.328 669 H ASP 88 H ASP 88 -6.389 4.734 12.116 670 HA ASP 88 HA ASP 88 -5.577 7.086 13.682 671 HB2 ASP 88 1HB ASP 88 -4.427 4.368 13.290 672 HB3 ASP 88 2HB ASP 88 -3.298 5.700 13.528 673 H VAL 89 H VAL 89 -5.252 5.497 10.592 674 HA VAL 89 HA VAL 89 -3.180 7.292 9.665 675 HB VAL 89 HB VAL 89 -4.789 5.185 8.218 676 HG11 VAL 89 1HG1 VAL 89 -4.233 6.567 6.470 677 HG12 VAL 89 2HG1 VAL 89 -2.762 7.148 7.253 678 HG13 VAL 89 3HG1 VAL 89 -2.805 5.534 6.541 679 HG21 VAL 89 1HG2 VAL 89 -2.721 3.906 8.257 680 HG22 VAL 89 2HG2 VAL 89 -1.904 5.217 9.106 681 HG23 VAL 89 3HG2 VAL 89 -3.209 4.334 9.897 682 H ASN 90 H ASN 90 -6.653 7.002 9.475 683 HA ASN 90 HA ASN 90 -6.973 8.909 7.359 684 HB2 ASN 90 1HB ASN 90 -8.623 7.088 7.909 685 HB3 ASN 90 2HB ASN 90 -9.052 7.999 9.354 686 HD21 ASN 90 1HD2 ASN 90 -10.892 7.344 7.396 687 HD22 ASN 90 2HD2 ASN 90 -11.422 8.791 6.615 688 H VAL 91 H VAL 91 -5.687 10.655 8.188 689 HA VAL 91 HA VAL 91 -7.256 12.449 9.860 690 HB VAL 91 HB VAL 91 -5.643 11.149 11.347 691 HG11 VAL 91 1HG1 VAL 91 -3.640 12.891 9.915 692 HG12 VAL 91 2HG1 VAL 91 -3.318 11.925 11.357 693 HG13 VAL 91 3HG1 VAL 91 -3.734 11.132 9.837 694 HG21 VAL 91 1HG2 VAL 91 -6.710 13.489 11.713 695 HG22 VAL 91 2HG2 VAL 91 -5.401 12.961 12.769 696 HG23 VAL 91 3HG2 VAL 91 -5.071 14.083 11.450 697 H ASP 92 H ASP 92 -6.437 14.672 9.811 698 HA ASP 92 HA ASP 92 -5.980 15.639 7.283 699 HB2 ASP 92 1HB ASP 92 -5.277 16.825 9.968 700 HB3 ASP 92 2HB ASP 92 -5.092 17.714 8.458 701 H GLN 93 H GLN 93 -3.515 15.199 9.822 702 HA GLN 93 HA GLN 93 -1.517 14.841 7.702 703 HB2 GLN 93 1HB GLN 93 -1.175 16.556 10.167 704 HB3 GLN 93 2HB GLN 93 0.109 16.150 9.037 705 HG2 GLN 93 1HG GLN 93 -0.798 17.460 7.341 706 HG3 GLN 93 2HG GLN 93 -2.385 17.519 8.110 707 HE21 GLN 93 1HE2 GLN 93 -1.314 19.823 7.254 708 HE22 GLN 93 2HE2 GLN 93 -0.793 20.792 8.586 709 HA PRO 94 HA PRO 94 -1.292 11.329 10.645 710 HB2 PRO 94 1HB PRO 94 -0.620 9.511 8.744 711 HB3 PRO 94 2HB PRO 94 -2.291 9.973 9.083 712 HG2 PRO 94 1HG PRO 94 -0.471 10.919 6.903 713 HG3 PRO 94 2HG PRO 94 -2.185 10.475 6.815 714 HD2 PRO 94 1HD PRO 94 -1.352 13.048 6.924 715 HD3 PRO 94 2HD PRO 94 -2.885 12.510 7.639 716 H ASP 95 H ASP 95 0.577 9.465 10.403 717 HA ASP 95 HA ASP 95 3.080 10.994 10.464 718 HB2 ASP 95 1HB ASP 95 2.077 8.575 11.881 719 HB3 ASP 95 2HB ASP 95 3.807 8.677 11.570 720 H GLU 96 H GLU 96 3.817 11.000 8.390 721 HA GLU 96 HA GLU 96 3.613 9.050 6.467 722 HB2 GLU 96 1HB GLU 96 5.607 10.040 5.424 723 HB3 GLU 96 2HB GLU 96 4.492 11.273 5.995 724 HG2 GLU 96 1HG GLU 96 6.895 10.370 7.556 725 HG3 GLU 96 2HG GLU 96 6.918 11.721 6.424 726 H LYS 97 H LYS 97 5.896 9.253 9.127 727 HA LYS 97 HA LYS 97 7.594 7.148 8.256 728 HB2 LYS 97 1HB LYS 97 7.142 8.144 11.075 729 HB3 LYS 97 2HB LYS 97 8.522 7.214 10.502 730 HG2 LYS 97 1HG LYS 97 7.946 9.791 9.155 731 HG3 LYS 97 2HG LYS 97 8.609 9.842 10.791 732 HD2 LYS 97 1HD LYS 97 10.564 9.776 9.631 733 HD3 LYS 97 2HD LYS 97 10.267 8.039 9.742 734 HE2 LYS 97 1HE LYS 97 9.128 8.177 7.522 735 HE3 LYS 97 2HE LYS 97 9.654 9.857 7.415 736 HZ1 LYS 97 1HZ LYS 97 11.109 7.494 6.846 737 HZ2 LYS 97 2HZ LYS 97 11.906 8.387 8.041 738 HZ3 LYS 97 3HZ LYS 97 11.536 9.105 6.554 739 H SER 98 H SER 98 4.650 7.285 10.146 740 HA SER 98 HA SER 98 4.810 4.575 11.069 741 HB2 SER 98 1HB SER 98 2.579 6.612 11.042 742 HB3 SER 98 2HB SER 98 2.375 4.981 11.683 743 HG SER 98 HG SER 98 4.451 5.685 12.896 744 H ILE 99 H ILE 99 3.890 6.070 8.154 745 HA ILE 99 HA ILE 99 2.239 3.796 7.328 746 HB ILE 99 HB ILE 99 2.783 6.404 5.904 747 HG12 ILE 99 1HG1 ILE 99 0.174 5.516 7.116 748 HG13 ILE 99 2HG1 ILE 99 1.375 6.385 8.065 749 HG21 ILE 99 1HG2 ILE 99 0.584 4.520 5.184 750 HG22 ILE 99 2HG2 ILE 99 1.388 5.738 4.196 751 HG23 ILE 99 3HG2 ILE 99 2.215 4.229 4.582 752 HD11 ILE 99 1HD1 ILE 99 -0.221 7.336 5.725 753 HD12 ILE 99 2HD1 ILE 99 -0.059 8.048 7.331 754 HD13 ILE 99 3HD1 ILE 99 1.282 8.133 6.188 755 H ILE 100 H ILE 100 4.933 5.733 6.013 756 HA ILE 100 HA ILE 100 5.662 4.279 3.851 757 HB ILE 100 HB ILE 100 7.510 5.496 5.903 758 HG12 ILE 100 1HG1 ILE 100 6.947 6.620 3.187 759 HG13 ILE 100 2HG1 ILE 100 5.757 6.842 4.466 760 HG21 ILE 100 1HG2 ILE 100 9.234 5.447 4.164 761 HG22 ILE 100 2HG2 ILE 100 8.710 3.822 4.608 762 HG23 ILE 100 3HG2 ILE 100 8.138 4.554 3.109 763 HD11 ILE 100 1HD1 ILE 100 7.332 8.022 5.813 764 HD12 ILE 100 2HD1 ILE 100 8.644 7.644 4.697 765 HD13 ILE 100 3HD1 ILE 100 7.345 8.728 4.197 766 H THR 101 H THR 101 6.334 3.461 7.216 767 HA THR 101 HA THR 101 8.026 1.255 6.703 768 HB THR 101 HB THR 101 6.249 1.612 9.120 769 HG1 THR 101 1HG THR 101 7.770 2.960 9.926 770 HG21 THR 101 1HG2 THR 101 7.914 0.303 10.274 771 HG22 THR 101 2HG2 THR 101 8.932 0.259 8.834 772 HG23 THR 101 3HG2 THR 101 7.384 -0.585 8.846 773 H TYR 102 H TYR 102 4.538 1.474 7.348 774 HA TYR 102 HA TYR 102 4.019 -1.290 7.258 775 HB2 TYR 102 1HB TYR 102 2.430 0.301 8.215 776 HB3 TYR 102 2HB TYR 102 2.185 1.035 6.634 777 HD1 TYR 102 2HD TYR 102 0.947 -0.175 4.882 778 HD2 TYR 102 1HD TYR 102 1.359 -1.766 8.807 779 HE1 TYR 102 2HE TYR 102 -0.883 -1.753 4.429 780 HE2 TYR 102 1HE TYR 102 -0.470 -3.349 8.364 781 HH TYR 102 HH TYR 102 -2.253 -3.750 6.941 782 H VAL 103 H VAL 103 3.402 1.190 4.765 783 HA VAL 103 HA VAL 103 2.578 -0.436 2.710 784 HB VAL 103 HB VAL 103 2.530 1.978 2.506 785 HG11 VAL 103 1HG1 VAL 103 4.802 2.231 3.662 786 HG12 VAL 103 2HG1 VAL 103 5.497 1.999 2.058 787 HG13 VAL 103 3HG1 VAL 103 4.413 3.357 2.362 788 HG21 VAL 103 1HG2 VAL 103 3.743 2.138 0.206 789 HG22 VAL 103 2HG2 VAL 103 4.021 0.413 0.441 790 HG23 VAL 103 3HG2 VAL 103 2.374 1.043 0.399 791 H ALA 104 H ALA 104 5.847 0.154 3.842 792 HA ALA 104 HA ALA 104 7.350 -0.826 1.745 793 HB1 ALA 104 1HB ALA 104 8.181 -1.599 4.488 794 HB2 ALA 104 2HB ALA 104 9.113 -0.855 3.187 795 HB3 ALA 104 3HB ALA 104 7.990 0.119 4.138 796 H THR 105 H THR 105 5.431 -2.571 4.083 797 HA THR 105 HA THR 105 6.520 -5.141 3.684 798 HB THR 105 HB THR 105 4.637 -6.008 4.823 799 HG1 THR 105 1HG THR 105 3.293 -3.578 4.165 800 HG21 THR 105 1HG2 THR 105 5.897 -3.600 5.754 801 HG22 THR 105 2HG2 THR 105 5.359 -5.003 6.677 802 HG23 THR 105 3HG2 THR 105 4.240 -3.680 6.353 803 H TYR 106 H TYR 106 3.932 -3.372 2.060 804 HA TYR 106 HA TYR 106 2.899 -5.456 0.512 805 HB2 TYR 106 1HB TYR 106 2.994 -2.475 0.162 806 HB3 TYR 106 2HB TYR 106 2.325 -3.499 -1.104 807 HD1 TYR 106 1HD TYR 106 1.985 -4.371 2.441 808 HD2 TYR 106 2HD TYR 106 0.107 -2.547 -0.912 809 HE1 TYR 106 1HE TYR 106 -0.169 -4.422 3.627 810 HE2 TYR 106 2HE TYR 106 -2.052 -2.592 0.264 811 HH TYR 106 HH TYR 106 -3.163 -3.572 2.037 812 H TYR 107 H TYR 107 5.634 -3.301 -0.046 813 HA TYR 107 HA TYR 107 6.143 -4.200 -2.704 814 HB2 TYR 107 1HB TYR 107 7.050 -2.105 -2.320 815 HB3 TYR 107 2HB TYR 107 7.609 -2.526 -0.705 816 HD1 TYR 107 2HD TYR 107 8.313 -2.942 -4.312 817 HD2 TYR 107 1HD TYR 107 9.798 -3.363 -0.348 818 HE1 TYR 107 2HE TYR 107 10.568 -3.345 -5.206 819 HE2 TYR 107 1HE TYR 107 12.058 -3.767 -1.230 820 HH TYR 107 HH TYR 107 12.650 -4.296 -4.591 821 H HIS 108 H HIS 108 7.910 -4.731 0.352 822 HA HIS 108 HA HIS 108 9.765 -6.560 -0.534 823 HB2 HIS 108 1HB HIS 108 8.449 -6.069 2.099 824 HB3 HIS 108 2HB HIS 108 9.427 -7.522 1.915 825 HD1 HIS 108 1HD HIS 108 11.962 -7.232 1.783 826 HD2 HIS 108 2HD HIS 108 9.888 -3.636 1.989 827 HE1 HIS 108 1HE HIS 108 13.706 -5.473 2.221 828 HE2 HIS 108 2HE HIS 108 12.417 -3.319 2.426 829 H TYR 109 H TYR 109 6.733 -7.449 1.128 830 HA TYR 109 HA TYR 109 6.724 -10.126 0.869 831 HB2 TYR 109 1HB TYR 109 4.855 -9.163 1.929 832 HB3 TYR 109 2HB TYR 109 4.461 -8.173 0.529 833 HD1 TYR 109 2HD TYR 109 4.429 -11.630 1.845 834 HD2 TYR 109 1HD TYR 109 3.035 -8.984 -1.182 835 HE1 TYR 109 2HE TYR 109 2.833 -13.343 1.090 836 HE2 TYR 109 1HE TYR 109 1.435 -10.689 -1.945 837 HH TYR 109 HH TYR 109 0.652 -13.410 -0.142 838 H PHE 110 H PHE 110 5.111 -8.115 -1.596 839 HA PHE 110 HA PHE 110 4.781 -10.080 -3.509 840 HB2 PHE 110 1HB PHE 110 4.943 -7.109 -3.576 841 HB3 PHE 110 2HB PHE 110 5.068 -7.959 -5.113 842 HD1 PHE 110 2HD PHE 110 3.232 -10.036 -5.145 843 HD2 PHE 110 1HD PHE 110 2.854 -6.287 -3.165 844 HE1 PHE 110 2HE PHE 110 0.782 -10.242 -5.230 845 HE2 PHE 110 1HE PHE 110 0.404 -6.487 -3.246 846 HZ PHE 110 HZ PHE 110 -0.636 -8.466 -4.281 847 H SER 111 H SER 111 7.579 -8.020 -2.905 848 HA SER 111 HA SER 111 9.072 -8.649 -5.183 849 HB2 SER 111 1HB SER 111 9.541 -6.867 -3.394 850 HB3 SER 111 2HB SER 111 10.306 -8.163 -2.474 851 HG SER 111 HG SER 111 11.715 -8.485 -4.241 852 H LYS 112 H LYS 112 9.064 -10.179 -1.973 853 HA LYS 112 HA LYS 112 11.027 -12.067 -2.313 854 HB2 LYS 112 1HB LYS 112 8.382 -12.403 -0.886 855 HB3 LYS 112 2HB LYS 112 9.775 -13.457 -0.684 856 HG2 LYS 112 1HG LYS 112 10.044 -10.526 -0.192 857 HG3 LYS 112 2HG LYS 112 9.321 -11.570 1.033 858 HD2 LYS 112 1HD LYS 112 11.958 -12.255 -0.219 859 HD3 LYS 112 2HD LYS 112 11.860 -11.125 1.133 860 HE2 LYS 112 1HE LYS 112 10.744 -12.832 2.480 861 HE3 LYS 112 2HE LYS 112 10.818 -13.958 1.125 862 HZ1 LYS 112 1HZ LYS 112 12.849 -14.542 1.737 863 HZ2 LYS 112 2HZ LYS 112 12.740 -13.528 3.087 864 HZ3 LYS 112 3HZ LYS 112 13.394 -12.943 1.640 865 H MET 113 H MET 113 7.554 -12.607 -2.945 866 HA MET 113 HA MET 113 7.760 -15.131 -4.063 867 HB2 MET 113 1HB MET 113 5.801 -12.889 -4.413 868 HB3 MET 113 2HB MET 113 5.651 -14.343 -5.391 869 HG2 MET 113 1HG MET 113 4.260 -14.786 -3.612 870 HG3 MET 113 2HG MET 113 5.754 -15.595 -3.141 871 HE1 MET 113 1HE MET 113 4.692 -15.774 -0.849 872 HE2 MET 113 2HE MET 113 6.386 -15.397 -0.534 873 HE3 MET 113 3HE MET 113 5.116 -14.598 0.395 874 H LYS 114 H LYS 114 9.121 -15.687 -5.639 875 HA LYS 114 HA LYS 114 10.087 -15.811 -7.696 876 HB2 LYS 114 1HB LYS 114 7.624 -15.266 -8.345 877 HB3 LYS 114 2HB LYS 114 8.252 -13.666 -8.716 878 HG2 LYS 114 1HG LYS 114 9.901 -14.746 -10.243 879 HG3 LYS 114 2HG LYS 114 9.071 -16.278 -9.963 880 HD2 LYS 114 1HD LYS 114 7.447 -13.933 -10.807 881 HD3 LYS 114 2HD LYS 114 8.463 -14.722 -12.015 882 HE2 LYS 114 1HE LYS 114 6.549 -15.944 -12.259 883 HE3 LYS 114 2HE LYS 114 7.355 -16.899 -11.016 884 HZ1 LYS 114 1HZ LYS 114 5.367 -16.660 -10.011 885 HZ2 LYS 114 2HZ LYS 114 4.981 -15.228 -10.825 886 HZ3 LYS 114 3HZ LYS 114 6.027 -15.190 -9.497 887 H ALA 115 H ALA 115 11.258 -14.164 -5.795 888 HA ALA 115 HA ALA 115 11.888 -11.583 -6.790 889 HB1 ALA 115 1HB ALA 115 12.097 -12.395 -4.399 890 HB2 ALA 115 2HB ALA 115 13.596 -13.180 -4.900 891 HB3 ALA 115 3HB ALA 115 13.436 -11.428 -5.018 892 H LEU 116 H LEU 116 14.302 -11.000 -7.133 893 HA LEU 116 HA LEU 116 15.268 -12.710 -9.299 894 HB2 LEU 116 1HB LEU 116 15.728 -9.854 -8.527 895 HB3 LEU 116 2HB LEU 116 16.831 -10.674 -9.629 896 HG LEU 116 HG LEU 116 14.712 -11.185 -11.014 897 HD11 LEU 116 1HD1 LEU 116 12.896 -10.600 -9.754 898 HD12 LEU 116 2HD1 LEU 116 13.131 -9.113 -10.672 899 HD13 LEU 116 3HD1 LEU 116 13.713 -9.224 -9.010 900 HD21 LEU 116 1HD2 LEU 116 14.953 -9.115 -12.219 901 HD22 LEU 116 2HD2 LEU 116 16.538 -9.634 -11.644 902 HD23 LEU 116 3HD2 LEU 116 15.678 -8.335 -10.813 903 H ALA 117 H ALA 117 17.659 -12.933 -9.534 904 HA ALA 117 HA ALA 117 19.030 -13.074 -6.935 905 HB1 ALA 117 1HB ALA 117 18.059 -15.302 -7.938 906 HB2 ALA 117 2HB ALA 117 19.517 -15.230 -8.928 907 HB3 ALA 117 3HB ALA 117 19.645 -15.265 -7.169 908 H VAL 118 H VAL 118 20.539 -11.528 -7.175 909 HA VAL 118 HA VAL 118 22.248 -11.656 -9.574 910 HB VAL 118 HB VAL 118 20.861 -9.589 -9.465 911 HG11 VAL 118 1HG1 VAL 118 21.224 -7.934 -7.792 912 HG12 VAL 118 2HG1 VAL 118 20.904 -9.456 -6.958 913 HG13 VAL 118 3HG1 VAL 118 22.555 -8.851 -7.088 914 HG21 VAL 118 1HG2 VAL 118 23.838 -9.561 -9.451 915 HG22 VAL 118 2HG2 VAL 118 22.713 -9.242 -10.772 916 HG23 VAL 118 3HG2 VAL 118 22.977 -8.024 -9.523 917 H GLU 119 H GLU 119 24.463 -11.434 -9.299 918 HA GLU 119 HA GLU 119 25.398 -11.656 -6.515 919 HB2 GLU 119 1HB GLU 119 26.363 -12.935 -9.057 920 HB3 GLU 119 2HB GLU 119 27.433 -12.768 -7.672 921 HG2 GLU 119 1HG GLU 119 24.771 -14.169 -7.618 922 HG3 GLU 119 2HG GLU 119 26.329 -14.971 -7.813 923 H GLY 120 H GLY 120 26.162 -10.342 -9.715 924 HA2 GLY 120 1HA GLY 120 28.491 -8.938 -8.939 925 HA3 GLY 120 2HA GLY 120 27.516 -8.603 -10.362 926 H LYS 121 H LYS 121 27.871 -7.952 -6.921 927 HA LYS 121 HA LYS 121 25.845 -5.920 -6.880 928 HB2 LYS 121 1HB LYS 121 26.624 -7.327 -4.902 929 HB3 LYS 121 2HB LYS 121 28.049 -6.296 -4.854 930 HG2 LYS 121 1HG LYS 121 25.347 -5.041 -4.814 931 HG3 LYS 121 2HG LYS 121 25.981 -5.786 -3.345 932 HD2 LYS 121 1HD LYS 121 27.806 -4.312 -3.253 933 HD3 LYS 121 2HD LYS 121 27.590 -3.807 -4.930 934 HE2 LYS 121 1HE LYS 121 25.461 -2.735 -4.303 935 HE3 LYS 121 2HE LYS 121 25.741 -3.198 -2.624 936 HZ1 LYS 121 1HZ LYS 121 26.838 -1.014 -4.119 937 HZ2 LYS 121 2HZ LYS 121 28.032 -1.919 -3.334 938 HZ3 LYS 121 3HZ LYS 121 26.761 -1.244 -2.445 939 H SER 122 H SER 122 26.034 -3.834 -7.383 940 HA SER 122 HA SER 122 28.716 -2.639 -7.503 941 HB2 SER 122 1HB SER 122 28.242 -3.130 -9.789 942 HB3 SER 122 2HB SER 122 26.584 -2.547 -9.642 943 HG SER 122 HG SER 122 27.387 -0.730 -10.319 944 H GLY 123 H GLY 123 28.857 -0.534 -6.847 945 HA2 GLY 123 1HA GLY 123 26.349 0.873 -6.219 946 HA3 GLY 123 2HA GLY 123 27.563 0.667 -4.965 947 HA PRO 124 HA PRO 124 29.203 3.749 -8.367 948 HB2 PRO 124 1HB PRO 124 27.221 5.095 -9.643 949 HB3 PRO 124 2HB PRO 124 27.919 3.595 -10.267 950 HG2 PRO 124 1HG PRO 124 25.377 4.010 -8.740 951 HG3 PRO 124 2HG PRO 124 25.679 2.982 -10.153 952 HD2 PRO 124 1HD PRO 124 25.570 1.999 -7.633 953 HD3 PRO 124 2HD PRO 124 26.614 1.300 -8.887 954 H SER 125 H SER 125 28.997 6.227 -8.500 955 HA SER 125 HA SER 125 27.411 7.459 -6.423 956 HB2 SER 125 1HB SER 125 30.425 7.314 -6.210 957 HB3 SER 125 2HB SER 125 29.429 8.435 -5.283 958 HG SER 125 HG SER 125 29.070 6.867 -3.950 959 H SER 126 H SER 126 27.132 9.634 -6.732 960 HA SER 126 HA SER 126 27.787 10.660 -9.313 961 HB2 SER 126 1HB SER 126 25.706 11.152 -7.827 962 HB3 SER 126 2HB SER 126 26.739 12.364 -7.069 963 HG SER 126 HG SER 126 27.088 13.190 -9.237 964 H GLY 127 H GLY 127 29.105 12.417 -9.851 965 HA2 GLY 127 1HA GLY 127 30.566 14.022 -8.121 966 HA3 GLY 127 2HA GLY 127 31.542 12.588 -8.402 Start of MODEL 17 1 H1 GLY 1 H GLY 1 19.402 4.729 -5.492 2 HA2 GLY 1 1HA GLY 1 19.088 4.510 -8.399 3 HA3 GLY 1 2HA GLY 1 20.656 4.994 -7.772 4 H SER 2 H SER 2 21.357 3.452 -5.857 5 HA SER 2 HA SER 2 22.047 1.019 -6.939 6 HB2 SER 2 1HB SER 2 22.511 0.299 -4.575 7 HB3 SER 2 2HB SER 2 23.211 1.859 -5.006 8 HG SER 2 HG SER 2 21.493 2.867 -3.928 9 H SER 3 H SER 3 21.466 -1.174 -5.942 10 HA SER 3 HA SER 3 18.560 -1.457 -6.122 11 HB2 SER 3 1HB SER 3 19.044 -3.866 -6.458 12 HB3 SER 3 2HB SER 3 19.871 -2.847 -7.636 13 HG SER 3 HG SER 3 20.942 -4.614 -6.001 14 H GLY 4 H GLY 4 17.485 -3.039 -4.698 15 HA2 GLY 4 1HA GLY 4 16.818 -3.552 -2.553 16 HA3 GLY 4 2HA GLY 4 18.455 -4.174 -2.406 17 H SER 5 H SER 5 16.463 -1.283 -2.014 18 HA SER 5 HA SER 5 18.508 -0.165 -0.224 19 HB2 SER 5 1HB SER 5 17.330 1.981 -0.502 20 HB3 SER 5 2HB SER 5 17.811 1.308 -2.059 21 HG SER 5 HG SER 5 15.372 0.411 -1.406 22 H SER 6 H SER 6 17.611 1.085 1.670 23 HA SER 6 HA SER 6 15.059 0.395 2.724 24 HB2 SER 6 1HB SER 6 15.927 -0.926 4.678 25 HB3 SER 6 2HB SER 6 16.038 -1.768 3.131 26 HG SER 6 HG SER 6 18.264 -0.944 3.076 27 H GLY 7 H GLY 7 14.531 2.202 3.747 28 HA2 GLY 7 1HA GLY 7 15.279 3.305 5.987 29 HA3 GLY 7 2HA GLY 7 16.649 3.798 5.004 30 H ALA 8 H ALA 8 16.303 5.258 3.257 31 HA ALA 8 HA ALA 8 14.696 7.428 3.813 32 HB1 ALA 8 1HB ALA 8 16.117 6.478 1.385 33 HB2 ALA 8 2HB ALA 8 14.958 7.796 1.207 34 HB3 ALA 8 3HB ALA 8 16.323 7.966 2.310 35 H LYS 9 H LYS 9 13.174 8.205 1.763 36 HA LYS 9 HA LYS 9 11.094 6.133 1.517 37 HB2 LYS 9 1HB LYS 9 9.398 7.896 1.722 38 HB3 LYS 9 2HB LYS 9 10.405 7.803 3.160 39 HG2 LYS 9 1HG LYS 9 11.775 9.671 1.900 40 HG3 LYS 9 2HG LYS 9 10.223 9.935 1.102 41 HD2 LYS 9 1HD LYS 9 10.215 9.671 4.058 42 HD3 LYS 9 2HD LYS 9 10.888 11.154 3.377 43 HE2 LYS 9 1HE LYS 9 8.666 11.046 1.931 44 HE3 LYS 9 2HE LYS 9 8.102 10.121 3.323 45 HZ1 LYS 9 1HZ LYS 9 7.850 11.987 4.460 46 HZ2 LYS 9 2HZ LYS 9 8.269 12.876 3.084 47 HZ3 LYS 9 3HZ LYS 9 9.461 12.432 4.199 48 H ASP 10 H ASP 10 13.153 6.696 -0.378 49 HA ASP 10 HA ASP 10 11.712 8.074 -2.533 50 HB2 ASP 10 1HB ASP 10 13.999 7.823 -3.704 51 HB3 ASP 10 2HB ASP 10 13.865 8.986 -2.387 52 H ALA 11 H ALA 11 13.816 5.210 -2.189 53 HA ALA 11 HA ALA 11 13.218 3.936 -4.542 54 HB1 ALA 11 1HB ALA 11 13.522 2.401 -1.981 55 HB2 ALA 11 2HB ALA 11 14.067 1.967 -3.602 56 HB3 ALA 11 3HB ALA 11 14.873 3.263 -2.718 57 H LEU 12 H LEU 12 11.421 3.763 -1.488 58 HA LEU 12 HA LEU 12 9.489 1.903 -2.431 59 HB2 LEU 12 1HB LEU 12 10.063 2.369 -0.032 60 HB3 LEU 12 2HB LEU 12 9.172 3.882 -0.183 61 HG LEU 12 HG LEU 12 7.118 2.614 -0.639 62 HD11 LEU 12 1HD1 LEU 12 7.525 0.590 -1.552 63 HD12 LEU 12 2HD1 LEU 12 7.479 0.072 0.132 64 HD13 LEU 12 3HD1 LEU 12 9.028 0.364 -0.659 65 HD21 LEU 12 1HD2 LEU 12 7.093 3.080 1.575 66 HD22 LEU 12 2HD2 LEU 12 8.673 2.352 1.861 67 HD23 LEU 12 3HD2 LEU 12 7.246 1.328 1.706 68 H LEU 13 H LEU 13 9.300 5.413 -1.823 69 HA LEU 13 HA LEU 13 6.765 5.962 -2.628 70 HB2 LEU 13 1HB LEU 13 8.378 7.625 -1.801 71 HB3 LEU 13 2HB LEU 13 9.206 7.575 -3.355 72 HG LEU 13 HG LEU 13 7.028 8.379 -4.380 73 HD11 LEU 13 1HD1 LEU 13 6.072 9.743 -2.086 74 HD12 LEU 13 2HD1 LEU 13 6.154 8.023 -1.704 75 HD13 LEU 13 3HD1 LEU 13 5.230 8.572 -3.102 76 HD21 LEU 13 1HD2 LEU 13 9.136 9.738 -3.729 77 HD22 LEU 13 2HD2 LEU 13 8.117 10.379 -2.440 78 HD23 LEU 13 3HD2 LEU 13 7.647 10.594 -4.127 79 H LEU 14 H LEU 14 9.586 5.710 -4.783 80 HA LEU 14 HA LEU 14 8.276 6.217 -7.189 81 HB2 LEU 14 1HB LEU 14 10.697 6.153 -6.984 82 HB3 LEU 14 2HB LEU 14 10.639 4.423 -6.651 83 HG LEU 14 HG LEU 14 9.777 4.050 -8.940 84 HD11 LEU 14 1HD1 LEU 14 8.709 6.075 -9.485 85 HD12 LEU 14 2HD1 LEU 14 10.112 5.980 -10.546 86 HD13 LEU 14 3HD1 LEU 14 10.150 7.026 -9.127 87 HD21 LEU 14 1HD2 LEU 14 12.427 5.119 -8.264 88 HD22 LEU 14 2HD2 LEU 14 12.032 5.141 -9.983 89 HD23 LEU 14 3HD2 LEU 14 11.978 3.624 -9.085 90 H TRP 15 H TRP 15 8.881 3.116 -5.563 91 HA TRP 15 HA TRP 15 7.842 1.378 -7.425 92 HB2 TRP 15 1HB TRP 15 8.939 0.807 -5.210 93 HB3 TRP 15 2HB TRP 15 7.374 1.098 -4.454 94 HD1 TRP 15 HD TRP 15 8.816 -1.163 -7.267 95 HE1 TRP 15 1HE TRP 15 7.575 -3.417 -7.179 96 HE3 TRP 15 3HE TRP 15 5.507 -0.119 -3.513 97 HZ2 TRP 15 2HZ TRP 15 5.472 -4.595 -5.712 98 HZ3 TRP 15 3HZ TRP 15 3.913 -1.864 -2.827 99 HH2 TRP 15 HH TRP 15 3.897 -4.055 -3.906 100 H CYS 16 H CYS 16 6.011 2.719 -4.667 101 HA CYS 16 HA CYS 16 3.507 1.794 -5.417 102 HB2 CYS 16 1HB CYS 16 4.151 4.371 -3.969 103 HB3 CYS 16 2HB CYS 16 2.591 3.559 -3.975 104 HG CYS 16 HG CYS 16 3.721 1.215 -2.731 105 H GLN 17 H GLN 17 5.148 4.798 -6.313 106 HA GLN 17 HA GLN 17 3.061 6.053 -7.657 107 HB2 GLN 17 1HB GLN 17 6.045 6.157 -7.934 108 HB3 GLN 17 2HB GLN 17 5.025 7.040 -9.063 109 HG2 GLN 17 1HG GLN 17 3.954 8.145 -7.089 110 HG3 GLN 17 2HG GLN 17 5.194 7.394 -6.084 111 HE21 GLN 17 1HE2 GLN 17 5.192 9.959 -5.853 112 HE22 GLN 17 2HE2 GLN 17 6.440 10.727 -6.768 113 H MET 18 H MET 18 5.410 3.682 -8.831 114 HA MET 18 HA MET 18 4.619 3.740 -11.537 115 HB2 MET 18 1HB MET 18 5.932 1.559 -9.909 116 HB3 MET 18 2HB MET 18 5.730 1.496 -11.655 117 HG2 MET 18 1HG MET 18 7.004 3.707 -11.704 118 HG3 MET 18 2HG MET 18 7.444 3.342 -10.037 119 HE1 MET 18 1HE MET 18 9.792 1.480 -9.609 120 HE2 MET 18 2HE MET 18 8.104 1.023 -9.383 121 HE3 MET 18 3HE MET 18 9.187 -0.026 -10.298 122 H LYS 19 H LYS 19 3.737 1.517 -8.898 123 HA LYS 19 HA LYS 19 1.943 -0.049 -10.386 124 HB2 LYS 19 1HB LYS 19 1.815 0.523 -7.421 125 HB3 LYS 19 2HB LYS 19 1.133 -0.865 -8.257 126 HG2 LYS 19 1HG LYS 19 4.068 -0.231 -8.030 127 HG3 LYS 19 2HG LYS 19 3.194 -1.426 -7.071 128 HD2 LYS 19 1HD LYS 19 2.516 -2.377 -9.409 129 HD3 LYS 19 2HD LYS 19 3.932 -1.483 -9.966 130 HE2 LYS 19 1HE LYS 19 5.391 -2.749 -8.651 131 HE3 LYS 19 2HE LYS 19 4.091 -3.345 -7.620 132 HZ1 LYS 19 1HZ LYS 19 4.848 -5.064 -9.118 133 HZ2 LYS 19 2HZ LYS 19 4.538 -4.084 -10.461 134 HZ3 LYS 19 3HZ LYS 19 3.258 -4.632 -9.501 135 H THR 20 H THR 20 1.165 2.461 -7.968 136 HA THR 20 HA THR 20 -1.553 2.616 -8.415 137 HB THR 20 HB THR 20 -1.455 4.920 -7.536 138 HG1 THR 20 1HG THR 20 1.354 4.546 -7.838 139 HG21 THR 20 1HG2 THR 20 0.467 3.133 -6.048 140 HG22 THR 20 2HG2 THR 20 -1.283 2.913 -6.040 141 HG23 THR 20 3HG2 THR 20 -0.575 4.385 -5.375 142 H ALA 21 H ALA 21 1.065 3.993 -10.282 143 HA ALA 21 HA ALA 21 0.019 5.967 -11.763 144 HB1 ALA 21 1HB ALA 21 2.242 4.633 -12.035 145 HB2 ALA 21 2HB ALA 21 1.341 3.755 -13.271 146 HB3 ALA 21 3HB ALA 21 1.559 5.499 -13.411 147 H GLY 22 H GLY 22 -0.589 2.513 -12.397 148 HA2 GLY 22 1HA GLY 22 -2.060 2.462 -14.626 149 HA3 GLY 22 2HA GLY 22 -2.546 1.547 -13.206 150 H TYR 23 H TYR 23 -3.305 3.628 -11.516 151 HA TYR 23 HA TYR 23 -5.783 4.460 -12.834 152 HB2 TYR 23 1HB TYR 23 -5.223 4.756 -9.897 153 HB3 TYR 23 2HB TYR 23 -6.771 4.578 -10.712 154 HD1 TYR 23 2HD TYR 23 -3.667 2.749 -9.816 155 HD2 TYR 23 1HD TYR 23 -7.750 2.459 -10.977 156 HE1 TYR 23 2HE TYR 23 -3.617 0.330 -9.368 157 HE2 TYR 23 1HE TYR 23 -7.713 0.040 -10.530 158 HH TYR 23 HH TYR 23 -5.674 -1.464 -8.724 159 HA PRO 24 HA PRO 24 -4.371 8.635 -13.139 160 HB2 PRO 24 1HB PRO 24 -6.783 9.802 -13.578 161 HB3 PRO 24 2HB PRO 24 -5.930 8.866 -14.812 162 HG2 PRO 24 1HG PRO 24 -8.174 8.031 -13.014 163 HG3 PRO 24 2HG PRO 24 -7.944 7.706 -14.743 164 HD2 PRO 24 1HD PRO 24 -7.385 5.874 -12.829 165 HD3 PRO 24 2HD PRO 24 -6.475 5.974 -14.350 166 H ASN 25 H ASN 25 -7.365 8.130 -11.261 167 HA ASN 25 HA ASN 25 -7.188 10.448 -9.712 168 HB2 ASN 25 1HB ASN 25 -8.545 8.922 -8.031 169 HB3 ASN 25 2HB ASN 25 -9.266 9.466 -9.543 170 HD21 ASN 25 1HD2 ASN 25 -8.565 6.831 -7.619 171 HD22 ASN 25 2HD2 ASN 25 -8.865 5.577 -8.769 172 H VAL 26 H VAL 26 -5.989 7.170 -9.076 173 HA VAL 26 HA VAL 26 -4.910 7.801 -6.515 174 HB VAL 26 HB VAL 26 -4.176 5.512 -8.346 175 HG11 VAL 26 1HG1 VAL 26 -3.135 4.490 -6.551 176 HG12 VAL 26 2HG1 VAL 26 -2.694 6.184 -6.318 177 HG13 VAL 26 3HG1 VAL 26 -3.994 5.469 -5.362 178 HG21 VAL 26 1HG2 VAL 26 -6.536 6.041 -6.699 179 HG22 VAL 26 2HG2 VAL 26 -6.310 4.899 -8.023 180 HG23 VAL 26 3HG2 VAL 26 -5.781 4.477 -6.395 181 H ASN 27 H ASN 27 -3.245 9.112 -6.191 182 HA ASN 27 HA ASN 27 -0.911 8.891 -7.956 183 HB2 ASN 27 1HB ASN 27 -2.107 11.507 -7.017 184 HB3 ASN 27 2HB ASN 27 -0.633 11.328 -7.963 185 HD21 ASN 27 1HD2 ASN 27 -2.048 12.887 -9.246 186 HD22 ASN 27 2HD2 ASN 27 -3.030 12.174 -10.476 187 H VAL 28 H VAL 28 0.652 8.151 -6.679 188 HA VAL 28 HA VAL 28 0.705 8.774 -3.851 189 HB VAL 28 HB VAL 28 2.633 7.145 -5.513 190 HG11 VAL 28 1HG1 VAL 28 2.627 6.417 -2.771 191 HG12 VAL 28 2HG1 VAL 28 3.951 7.082 -3.729 192 HG13 VAL 28 3HG1 VAL 28 2.851 8.163 -2.871 193 HG21 VAL 28 1HG2 VAL 28 1.356 5.366 -3.943 194 HG22 VAL 28 2HG2 VAL 28 0.061 6.533 -4.206 195 HG23 VAL 28 3HG2 VAL 28 0.848 5.763 -5.584 196 H HIS 29 H HIS 29 1.046 11.077 -4.086 197 HA HIS 29 HA HIS 29 3.639 11.920 -5.111 198 HB2 HIS 29 1HB HIS 29 1.673 13.278 -5.665 199 HB3 HIS 29 2HB HIS 29 1.360 13.537 -3.951 200 HD1 HIS 29 1HD HIS 29 2.874 15.220 -2.710 201 HD2 HIS 29 2HD HIS 29 3.748 14.813 -6.751 202 HE1 HIS 29 1HE HIS 29 4.401 17.140 -3.264 203 HE2 HIS 29 2HE HIS 29 4.848 16.922 -5.733 204 H ASN 30 H ASN 30 1.898 11.636 -2.070 205 HA ASN 30 HA ASN 30 4.433 12.104 -0.657 206 HB2 ASN 30 1HB ASN 30 2.780 13.057 1.192 207 HB3 ASN 30 2HB ASN 30 3.437 14.089 -0.074 208 HD21 ASN 30 1HD2 ASN 30 0.726 11.834 0.358 209 HD22 ASN 30 2HD2 ASN 30 -0.460 12.858 -0.369 210 H PHE 31 H PHE 31 4.006 11.467 1.803 211 HA PHE 31 HA PHE 31 2.753 8.801 1.737 212 HB2 PHE 31 1HB PHE 31 5.207 9.833 3.130 213 HB3 PHE 31 2HB PHE 31 4.363 8.414 3.742 214 HD1 PHE 31 2HD PHE 31 3.761 6.668 1.774 215 HD2 PHE 31 1HD PHE 31 6.992 9.437 1.762 216 HE1 PHE 31 2HE PHE 31 4.961 5.254 0.158 217 HE2 PHE 31 1HE PHE 31 8.199 8.028 0.145 218 HZ PHE 31 HZ PHE 31 7.184 5.933 -0.658 219 H THR 32 H THR 32 1.694 11.561 2.491 220 HA THR 32 HA THR 32 0.661 10.787 5.140 221 HB THR 32 HB THR 32 0.353 13.351 5.441 222 HG1 THR 32 1HG THR 32 1.073 14.371 3.716 223 HG21 THR 32 1HG2 THR 32 1.926 12.996 6.978 224 HG22 THR 32 2HG2 THR 32 3.176 13.080 5.737 225 HG23 THR 32 3HG2 THR 32 2.419 11.535 6.123 226 H THR 33 H THR 33 -0.024 13.075 2.486 227 HA THR 33 HA THR 33 -2.887 12.636 2.897 228 HB THR 33 HB THR 33 -3.237 14.560 1.434 229 HG1 THR 33 1HG THR 33 -1.524 15.594 0.465 230 HG21 THR 33 1HG2 THR 33 -2.599 16.193 2.948 231 HG22 THR 33 2HG2 THR 33 -1.045 15.426 3.280 232 HG23 THR 33 3HG2 THR 33 -2.529 14.737 3.940 233 H SER 34 H SER 34 -1.334 10.530 1.734 234 HA SER 34 HA SER 34 -2.520 10.459 -0.962 235 HB2 SER 34 1HB SER 34 -0.001 10.610 -0.940 236 HB3 SER 34 2HB SER 34 0.019 9.037 -0.143 237 HG SER 34 HG SER 34 -1.279 8.325 -2.017 238 H TRP 35 H TRP 35 -1.859 8.789 2.023 239 HA TRP 35 HA TRP 35 -3.414 6.477 1.072 240 HB2 TRP 35 1HB TRP 35 -1.719 6.516 3.562 241 HB3 TRP 35 2HB TRP 35 -2.299 5.123 2.653 242 HD1 TRP 35 HD TRP 35 0.208 8.047 2.223 243 HE1 TRP 35 1HE TRP 35 2.134 7.226 0.725 244 HE3 TRP 35 3HE TRP 35 -1.572 3.390 1.093 245 HZ2 TRP 35 2HZ TRP 35 2.808 4.911 -0.742 246 HZ3 TRP 35 3HZ TRP 35 -0.225 1.935 -0.364 247 HH2 TRP 35 HH TRP 35 1.919 2.681 -1.262 248 H ARG 36 H ARG 36 -3.722 9.259 2.825 249 HA ARG 36 HA ARG 36 -5.063 8.613 5.148 250 HB2 ARG 36 1HB ARG 36 -4.499 10.899 4.659 251 HB3 ARG 36 2HB ARG 36 -5.525 10.899 3.232 252 HG2 ARG 36 1HG ARG 36 -6.799 10.307 5.843 253 HG3 ARG 36 2HG ARG 36 -6.296 11.969 5.522 254 HD2 ARG 36 1HD ARG 36 -8.009 10.344 3.650 255 HD3 ARG 36 2HD ARG 36 -8.659 11.429 4.879 256 HE ARG 36 HE ARG 36 -6.834 12.868 3.333 257 HH11 ARG 36 1HH1 ARG 36 -9.924 11.303 2.989 258 HH12 ARG 36 2HH1 ARG 36 -10.471 12.368 1.737 259 HH21 ARG 36 1HH2 ARG 36 -7.542 14.278 1.685 260 HH22 ARG 36 2HH2 ARG 36 -9.114 14.058 0.995 261 H ASP 37 H ASP 37 -6.466 9.088 1.911 262 HA ASP 37 HA ASP 37 -9.116 8.474 2.654 263 HB2 ASP 37 1HB ASP 37 -8.370 9.652 0.542 264 HB3 ASP 37 2HB ASP 37 -7.909 8.072 -0.085 265 H GLY 38 H GLY 38 -6.841 6.476 0.754 266 HA2 GLY 38 1HA GLY 38 -6.627 4.159 1.902 267 HA3 GLY 38 2HA GLY 38 -8.356 4.102 1.594 268 H LEU 39 H LEU 39 -8.338 5.366 -0.945 269 HA LEU 39 HA LEU 39 -8.294 3.401 -2.737 270 HB2 LEU 39 1HB LEU 39 -7.299 6.212 -3.122 271 HB3 LEU 39 2HB LEU 39 -7.517 5.086 -4.460 272 HG LEU 39 HG LEU 39 -9.688 6.097 -2.623 273 HD11 LEU 39 1HD1 LEU 39 -10.474 7.345 -4.518 274 HD12 LEU 39 2HD1 LEU 39 -9.201 6.678 -5.540 275 HD13 LEU 39 3HD1 LEU 39 -8.789 7.769 -4.217 276 HD21 LEU 39 1HD2 LEU 39 -10.215 3.867 -3.319 277 HD22 LEU 39 2HD2 LEU 39 -9.763 4.225 -4.986 278 HD23 LEU 39 3HD2 LEU 39 -11.188 4.985 -4.275 279 H ALA 40 H ALA 40 -5.386 5.252 -1.866 280 HA ALA 40 HA ALA 40 -3.511 4.168 -3.513 281 HB1 ALA 40 1HB ALA 40 -3.188 5.910 -1.702 282 HB2 ALA 40 2HB ALA 40 -2.972 4.565 -0.582 283 HB3 ALA 40 3HB ALA 40 -1.863 4.770 -1.937 284 H PHE 41 H PHE 41 -4.311 2.839 -0.295 285 HA PHE 41 HA PHE 41 -2.778 0.509 -0.552 286 HB2 PHE 41 1HB PHE 41 -5.185 1.160 1.145 287 HB3 PHE 41 2HB PHE 41 -4.338 -0.378 1.259 288 HD1 PHE 41 1HD PHE 41 -1.734 -0.174 1.597 289 HD2 PHE 41 2HD PHE 41 -4.557 2.868 2.543 290 HE1 PHE 41 1HE PHE 41 -0.123 0.828 3.165 291 HE2 PHE 41 2HE PHE 41 -2.950 3.876 4.111 292 HZ PHE 41 HZ PHE 41 -0.730 2.856 4.423 293 H ASN 42 H ASN 42 -6.188 1.134 -1.277 294 HA ASN 42 HA ASN 42 -6.754 -1.552 -2.060 295 HB2 ASN 42 1HB ASN 42 -8.259 0.999 -2.683 296 HB3 ASN 42 2HB ASN 42 -8.879 -0.636 -2.891 297 HD21 ASN 42 1HD2 ASN 42 -8.678 1.982 -0.842 298 HD22 ASN 42 2HD2 ASN 42 -9.197 1.218 0.619 299 H ALA 43 H ALA 43 -4.755 0.578 -3.444 300 HA ALA 43 HA ALA 43 -5.514 -0.048 -6.208 301 HB1 ALA 43 1HB ALA 43 -4.703 2.313 -5.113 302 HB2 ALA 43 2HB ALA 43 -3.200 1.697 -5.801 303 HB3 ALA 43 3HB ALA 43 -4.617 1.909 -6.828 304 H ILE 44 H ILE 44 -2.798 -0.266 -3.944 305 HA ILE 44 HA ILE 44 -0.945 -1.448 -5.684 306 HB ILE 44 HB ILE 44 -1.192 -1.814 -2.696 307 HG12 ILE 44 1HG1 ILE 44 0.679 0.051 -4.142 308 HG13 ILE 44 2HG1 ILE 44 -0.944 0.555 -3.682 309 HG21 ILE 44 1HG2 ILE 44 0.275 -3.481 -3.270 310 HG22 ILE 44 2HG2 ILE 44 0.874 -2.617 -4.685 311 HG23 ILE 44 3HG2 ILE 44 1.386 -2.127 -3.070 312 HD11 ILE 44 1HD1 ILE 44 0.649 1.281 -2.033 313 HD12 ILE 44 2HD1 ILE 44 -0.402 0.048 -1.338 314 HD13 ILE 44 3HD1 ILE 44 1.239 -0.368 -1.829 315 H VAL 45 H VAL 45 -3.219 -2.948 -3.395 316 HA VAL 45 HA VAL 45 -2.525 -5.617 -4.050 317 HB VAL 45 HB VAL 45 -5.102 -4.585 -2.854 318 HG11 VAL 45 1HG1 VAL 45 -4.262 -7.226 -2.040 319 HG12 VAL 45 2HG1 VAL 45 -5.806 -6.691 -2.708 320 HG13 VAL 45 3HG1 VAL 45 -4.482 -7.133 -3.787 321 HG21 VAL 45 1HG2 VAL 45 -3.473 -3.882 -1.361 322 HG22 VAL 45 2HG2 VAL 45 -3.918 -5.466 -0.723 323 HG23 VAL 45 3HG2 VAL 45 -2.441 -5.278 -1.671 324 H HIS 46 H HIS 46 -5.519 -3.821 -4.800 325 HA HIS 46 HA HIS 46 -6.834 -5.474 -6.433 326 HB2 HIS 46 1HB HIS 46 -7.465 -3.103 -5.944 327 HB3 HIS 46 2HB HIS 46 -6.323 -2.590 -7.182 328 HD1 HIS 46 1HD HIS 46 -6.966 -3.054 -9.655 329 HD2 HIS 46 2HD HIS 46 -9.873 -4.139 -6.891 330 HE1 HIS 46 1HE HIS 46 -9.058 -3.446 -10.996 331 HE2 HIS 46 2HE HIS 46 -10.823 -4.017 -9.294 332 H LYS 47 H LYS 47 -4.003 -3.583 -7.415 333 HA LYS 47 HA LYS 47 -3.952 -4.277 -10.114 334 HB2 LYS 47 1HB LYS 47 -2.514 -2.568 -8.847 335 HB3 LYS 47 2HB LYS 47 -1.466 -3.923 -8.452 336 HG2 LYS 47 1HG LYS 47 -0.450 -3.068 -10.326 337 HG3 LYS 47 2HG LYS 47 -1.469 -4.333 -11.018 338 HD2 LYS 47 1HD LYS 47 -2.925 -2.834 -11.961 339 HD3 LYS 47 2HD LYS 47 -2.601 -1.593 -10.749 340 HE2 LYS 47 1HE LYS 47 -1.619 -0.777 -12.714 341 HE3 LYS 47 2HE LYS 47 -0.275 -1.432 -11.782 342 HZ1 LYS 47 1HZ LYS 47 -1.666 -3.034 -13.842 343 HZ2 LYS 47 2HZ LYS 47 -0.141 -3.296 -13.160 344 HZ3 LYS 47 3HZ LYS 47 -0.377 -2.010 -14.233 345 H HIS 48 H HIS 48 -2.416 -5.882 -7.341 346 HA HIS 48 HA HIS 48 -1.321 -7.997 -8.927 347 HB2 HIS 48 1HB HIS 48 -1.764 -8.030 -5.941 348 HB3 HIS 48 2HB HIS 48 -0.578 -8.947 -6.864 349 HD1 HIS 48 1HD HIS 48 0.745 -6.764 -8.499 350 HD2 HIS 48 2HD HIS 48 -0.241 -6.326 -4.487 351 HE1 HIS 48 1HE HIS 48 2.255 -4.951 -7.630 352 HE2 HIS 48 2HE HIS 48 1.699 -4.763 -5.181 353 H ARG 49 H ARG 49 -4.034 -7.784 -6.631 354 HA ARG 49 HA ARG 49 -5.197 -10.153 -7.939 355 HB2 ARG 49 1HB ARG 49 -5.356 -9.480 -4.996 356 HB3 ARG 49 2HB ARG 49 -6.101 -10.865 -5.782 357 HG2 ARG 49 1HG ARG 49 -3.139 -10.428 -5.879 358 HG3 ARG 49 2HG ARG 49 -3.912 -11.224 -4.507 359 HD2 ARG 49 1HD ARG 49 -4.434 -12.129 -7.316 360 HD3 ARG 49 2HD ARG 49 -3.006 -12.675 -6.438 361 HE ARG 49 HE ARG 49 -5.502 -13.028 -5.030 362 HH11 ARG 49 1HH1 ARG 49 -3.182 -14.428 -7.217 363 HH12 ARG 49 2HH1 ARG 49 -3.655 -16.061 -6.881 364 HH21 ARG 49 1HH2 ARG 49 -6.134 -15.173 -4.580 365 HH22 ARG 49 2HH2 ARG 49 -5.335 -16.483 -5.382 366 HA PRO 50 HA PRO 50 -8.209 -6.735 -8.388 367 HB2 PRO 50 1HB PRO 50 -9.217 -7.659 -10.734 368 HB3 PRO 50 2HB PRO 50 -7.756 -6.668 -10.639 369 HG2 PRO 50 1HG PRO 50 -8.016 -9.637 -10.913 370 HG3 PRO 50 2HG PRO 50 -6.912 -8.530 -11.748 371 HD2 PRO 50 1HD PRO 50 -6.139 -10.042 -9.640 372 HD3 PRO 50 2HD PRO 50 -5.455 -8.436 -9.966 373 H ASP 51 H ASP 51 -8.368 -9.870 -7.492 374 HA ASP 51 HA ASP 51 -11.270 -10.132 -7.767 375 HB2 ASP 51 1HB ASP 51 -9.109 -12.059 -6.918 376 HB3 ASP 51 2HB ASP 51 -10.824 -12.427 -6.754 377 H LEU 52 H LEU 52 -8.744 -10.022 -5.289 378 HA LEU 52 HA LEU 52 -10.100 -10.484 -2.991 379 HB2 LEU 52 1HB LEU 52 -8.163 -8.218 -3.438 380 HB3 LEU 52 2HB LEU 52 -8.605 -8.901 -1.875 381 HG LEU 52 HG LEU 52 -7.026 -10.233 -4.070 382 HD11 LEU 52 1HD1 LEU 52 -6.357 -8.752 -1.669 383 HD12 LEU 52 2HD1 LEU 52 -5.329 -9.266 -3.006 384 HD13 LEU 52 3HD1 LEU 52 -5.659 -10.372 -1.673 385 HD21 LEU 52 1HD2 LEU 52 -8.653 -11.386 -1.979 386 HD22 LEU 52 2HD2 LEU 52 -6.955 -11.822 -1.790 387 HD23 LEU 52 3HD2 LEU 52 -7.793 -12.174 -3.302 388 H LEU 53 H LEU 53 -9.686 -7.147 -4.183 389 HA LEU 53 HA LEU 53 -12.378 -6.550 -3.144 390 HB2 LEU 53 1HB LEU 53 -11.559 -4.259 -2.702 391 HB3 LEU 53 2HB LEU 53 -10.763 -5.495 -1.729 392 HG LEU 53 HG LEU 53 -9.520 -4.380 -4.229 393 HD11 LEU 53 1HD1 LEU 53 -9.900 -2.476 -2.833 394 HD12 LEU 53 2HD1 LEU 53 -8.199 -2.923 -2.704 395 HD13 LEU 53 3HD1 LEU 53 -9.320 -3.341 -1.409 396 HD21 LEU 53 1HD2 LEU 53 -8.859 -6.477 -2.490 397 HD22 LEU 53 2HD2 LEU 53 -7.744 -5.164 -2.114 398 HD23 LEU 53 3HD2 LEU 53 -7.860 -5.778 -3.763 399 H ASP 54 H ASP 54 -13.444 -4.696 -4.205 400 HA ASP 54 HA ASP 54 -12.798 -4.651 -7.075 401 HB2 ASP 54 1HB ASP 54 -15.455 -3.858 -5.910 402 HB3 ASP 54 2HB ASP 54 -15.085 -4.378 -7.551 403 H PHE 55 H PHE 55 -11.343 -2.946 -7.066 404 HA PHE 55 HA PHE 55 -11.469 -0.557 -5.736 405 HB2 PHE 55 1HB PHE 55 -9.705 -1.482 -7.421 406 HB3 PHE 55 2HB PHE 55 -10.639 -0.592 -8.618 407 HD1 PHE 55 1HD PHE 55 -9.020 -0.112 -5.297 408 HD2 PHE 55 2HD PHE 55 -10.099 1.605 -9.039 409 HE1 PHE 55 1HE PHE 55 -7.815 1.947 -4.697 410 HE2 PHE 55 2HE PHE 55 -8.894 3.666 -8.445 411 HZ PHE 55 HZ PHE 55 -7.749 3.839 -6.272 412 H GLU 56 H GLU 56 -13.119 -1.439 -8.732 413 HA GLU 56 HA GLU 56 -14.153 1.048 -9.426 414 HB2 GLU 56 1HB GLU 56 -14.949 -1.774 -9.941 415 HB3 GLU 56 2HB GLU 56 -16.128 -0.520 -10.297 416 HG2 GLU 56 1HG GLU 56 -14.608 0.551 -11.818 417 HG3 GLU 56 2HG GLU 56 -13.324 -0.576 -11.385 418 H SER 57 H SER 57 -15.399 -1.383 -7.185 419 HA SER 57 HA SER 57 -17.847 -0.044 -6.646 420 HB2 SER 57 1HB SER 57 -17.575 -2.440 -6.215 421 HB3 SER 57 2HB SER 57 -16.349 -2.095 -4.996 422 HG SER 57 HG SER 57 -19.120 -1.576 -4.918 423 H LEU 58 H LEU 58 -14.722 -0.163 -4.974 424 HA LEU 58 HA LEU 58 -15.264 1.233 -2.688 425 HB2 LEU 58 1HB LEU 58 -12.819 1.627 -4.406 426 HB3 LEU 58 2HB LEU 58 -12.952 1.947 -2.678 427 HG LEU 58 HG LEU 58 -13.167 -0.787 -3.937 428 HD11 LEU 58 1HD1 LEU 58 -10.876 -0.292 -2.235 429 HD12 LEU 58 2HD1 LEU 58 -10.884 0.751 -3.657 430 HD13 LEU 58 3HD1 LEU 58 -10.955 -1.001 -3.848 431 HD21 LEU 58 1HD2 LEU 58 -13.382 -1.654 -1.829 432 HD22 LEU 58 2HD2 LEU 58 -14.259 -0.137 -1.635 433 HD23 LEU 58 3HD2 LEU 58 -12.597 -0.275 -1.059 434 H LYS 59 H LYS 59 -15.726 3.280 -2.126 435 HA LYS 59 HA LYS 59 -16.290 5.172 -4.256 436 HB2 LYS 59 1HB LYS 59 -16.758 5.401 -1.277 437 HB3 LYS 59 2HB LYS 59 -17.366 6.505 -2.503 438 HG2 LYS 59 1HG LYS 59 -18.053 3.614 -2.694 439 HG3 LYS 59 2HG LYS 59 -18.889 4.627 -1.515 440 HD2 LYS 59 1HD LYS 59 -18.650 5.628 -4.305 441 HD3 LYS 59 2HD LYS 59 -19.795 4.323 -3.985 442 HE2 LYS 59 1HE LYS 59 -19.711 6.973 -2.543 443 HE3 LYS 59 2HE LYS 59 -20.837 6.548 -3.831 444 HZ1 LYS 59 1HZ LYS 59 -20.746 5.604 -1.057 445 HZ2 LYS 59 2HZ LYS 59 -21.350 4.560 -2.241 446 HZ3 LYS 59 3HZ LYS 59 -22.077 6.066 -1.994 447 H LYS 60 H LYS 60 -15.820 7.576 -3.558 448 HA LYS 60 HA LYS 60 -12.931 7.740 -3.254 449 HB2 LYS 60 1HB LYS 60 -14.222 8.968 -5.057 450 HB3 LYS 60 2HB LYS 60 -14.858 10.003 -3.785 451 HG2 LYS 60 1HG LYS 60 -13.093 11.255 -4.510 452 HG3 LYS 60 2HG LYS 60 -12.322 10.337 -3.215 453 HD2 LYS 60 1HD LYS 60 -10.790 9.988 -4.867 454 HD3 LYS 60 2HD LYS 60 -11.874 8.637 -5.204 455 HE2 LYS 60 1HE LYS 60 -11.967 11.337 -6.547 456 HE3 LYS 60 2HE LYS 60 -11.259 9.876 -7.238 457 HZ1 LYS 60 1HZ LYS 60 -14.112 10.216 -6.482 458 HZ2 LYS 60 2HZ LYS 60 -13.430 8.828 -7.165 459 HZ3 LYS 60 3HZ LYS 60 -13.502 10.261 -8.060 460 H CYS 61 H CYS 61 -15.743 9.455 -1.877 461 HA CYS 61 HA CYS 61 -14.394 10.768 0.165 462 HB2 CYS 61 1HB CYS 61 -16.698 11.303 -0.462 463 HB3 CYS 61 2HB CYS 61 -17.242 9.746 0.151 464 HG CYS 61 HG CYS 61 -15.905 10.756 2.744 465 H ASN 62 H ASN 62 -15.892 7.559 0.155 466 HA ASN 62 HA ASN 62 -15.658 6.890 2.819 467 HB2 ASN 62 1HB ASN 62 -16.746 5.504 1.038 468 HB3 ASN 62 2HB ASN 62 -15.141 5.008 0.508 469 HD21 ASN 62 1HD2 ASN 62 -16.882 5.307 3.591 470 HD22 ASN 62 2HD2 ASN 62 -16.443 3.745 4.183 471 H ALA 63 H ALA 63 -14.026 6.495 4.174 472 HA ALA 63 HA ALA 63 -11.356 5.969 3.049 473 HB1 ALA 63 1HB ALA 63 -10.935 7.350 5.440 474 HB2 ALA 63 2HB ALA 63 -10.656 7.939 3.801 475 HB3 ALA 63 3HB ALA 63 -12.200 8.246 4.597 476 H HIS 64 H HIS 64 -13.335 5.888 6.006 477 HA HIS 64 HA HIS 64 -11.726 4.231 7.543 478 HB2 HIS 64 1HB HIS 64 -13.668 5.379 8.466 479 HB3 HIS 64 2HB HIS 64 -14.745 4.397 7.479 480 HD1 HIS 64 1HD HIS 64 -12.277 4.004 10.331 481 HD2 HIS 64 2HD HIS 64 -15.548 2.070 8.650 482 HE1 HIS 64 1HE HIS 64 -12.818 2.113 11.897 483 HE2 HIS 64 2HE HIS 64 -14.746 0.906 10.817 484 H TYR 65 H TYR 65 -14.633 3.158 5.773 485 HA TYR 65 HA TYR 65 -14.159 0.429 6.011 486 HB2 TYR 65 1HB TYR 65 -16.321 1.122 5.323 487 HB3 TYR 65 2HB TYR 65 -15.681 2.027 3.957 488 HD1 TYR 65 2HD TYR 65 -14.615 0.713 2.049 489 HD2 TYR 65 1HD TYR 65 -16.988 -1.113 5.073 490 HE1 TYR 65 2HE TYR 65 -14.966 -1.235 0.589 491 HE2 TYR 65 1HE TYR 65 -17.344 -3.067 3.622 492 HH TYR 65 HH TYR 65 -15.525 -3.679 0.886 493 H ASN 66 H ASN 66 -13.392 2.575 3.273 494 HA ASN 66 HA ASN 66 -12.190 0.713 1.612 495 HB2 ASN 66 1HB ASN 66 -11.813 3.670 1.977 496 HB3 ASN 66 2HB ASN 66 -10.803 2.780 0.840 497 HD21 ASN 66 1HD2 ASN 66 -11.959 4.425 -0.553 498 HD22 ASN 66 2HD2 ASN 66 -13.437 3.909 -1.284 499 H LEU 67 H LEU 67 -10.823 2.522 4.312 500 HA LEU 67 HA LEU 67 -8.137 1.692 3.894 501 HB2 LEU 67 1HB LEU 67 -9.621 2.877 6.214 502 HB3 LEU 67 2HB LEU 67 -7.944 2.360 6.373 503 HG LEU 67 HG LEU 67 -8.780 4.326 4.264 504 HD11 LEU 67 1HD1 LEU 67 -7.578 5.708 6.390 505 HD12 LEU 67 2HD1 LEU 67 -8.859 4.725 7.098 506 HD13 LEU 67 3HD1 LEU 67 -9.234 5.858 5.799 507 HD21 LEU 67 1HD2 LEU 67 -6.428 3.007 4.722 508 HD22 LEU 67 2HD2 LEU 67 -6.174 4.532 5.572 509 HD23 LEU 67 3HD2 LEU 67 -6.590 4.536 3.858 510 H GLN 68 H GLN 68 -10.268 0.840 6.623 511 HA GLN 68 HA GLN 68 -8.867 -1.284 7.613 512 HB2 GLN 68 1HB GLN 68 -10.813 -1.947 8.743 513 HB3 GLN 68 2HB GLN 68 -11.034 -0.222 8.481 514 HG2 GLN 68 1HG GLN 68 -12.619 -0.559 6.801 515 HG3 GLN 68 2HG GLN 68 -12.157 -2.246 6.581 516 HE21 GLN 68 1HE2 GLN 68 -14.544 -0.385 7.670 517 HE22 GLN 68 2HE2 GLN 68 -15.207 -1.399 8.902 518 H ASN 69 H ASN 69 -10.958 -1.228 4.800 519 HA ASN 69 HA ASN 69 -11.253 -3.978 4.391 520 HB2 ASN 69 1HB ASN 69 -12.503 -2.200 3.169 521 HB3 ASN 69 2HB ASN 69 -11.038 -1.841 2.259 522 HD21 ASN 69 1HD2 ASN 69 -11.006 -2.709 0.329 523 HD22 ASN 69 2HD2 ASN 69 -11.737 -4.203 -0.136 524 H ALA 70 H ALA 70 -8.782 -1.744 3.145 525 HA ALA 70 HA ALA 70 -7.320 -3.740 1.753 526 HB1 ALA 70 1HB ALA 70 -5.850 -2.073 1.178 527 HB2 ALA 70 2HB ALA 70 -7.298 -1.131 1.534 528 HB3 ALA 70 3HB ALA 70 -6.007 -1.248 2.729 529 H PHE 71 H PHE 71 -6.998 -2.273 4.957 530 HA PHE 71 HA PHE 71 -4.567 -3.483 5.674 531 HB2 PHE 71 1HB PHE 71 -6.869 -2.559 7.404 532 HB3 PHE 71 2HB PHE 71 -5.286 -3.021 8.021 533 HD1 PHE 71 2HD PHE 71 -3.461 -1.801 6.117 534 HD2 PHE 71 1HD PHE 71 -7.082 -0.293 7.769 535 HE1 PHE 71 2HE PHE 71 -2.657 0.498 5.772 536 HE2 PHE 71 1HE PHE 71 -6.284 2.009 7.426 537 HZ PHE 71 HZ PHE 71 -4.068 2.407 6.427 538 H ASN 72 H ASN 72 -7.924 -4.497 6.243 539 HA ASN 72 HA ASN 72 -7.215 -6.897 7.600 540 HB2 ASN 72 1HB ASN 72 -9.801 -6.116 6.236 541 HB3 ASN 72 2HB ASN 72 -9.599 -7.496 7.311 542 HD21 ASN 72 1HD2 ASN 72 -10.974 -4.673 7.270 543 HD22 ASN 72 2HD2 ASN 72 -10.711 -4.123 8.887 544 H LEU 73 H LEU 73 -8.169 -6.152 4.270 545 HA LEU 73 HA LEU 73 -8.283 -8.757 3.281 546 HB2 LEU 73 1HB LEU 73 -7.794 -6.077 2.079 547 HB3 LEU 73 2HB LEU 73 -7.505 -7.509 1.094 548 HG LEU 73 HG LEU 73 -10.116 -6.655 2.337 549 HD11 LEU 73 1HD1 LEU 73 -9.710 -5.384 0.393 550 HD12 LEU 73 2HD1 LEU 73 -10.799 -6.681 -0.098 551 HD13 LEU 73 3HD1 LEU 73 -9.080 -6.780 -0.482 552 HD21 LEU 73 1HD2 LEU 73 -9.228 -9.236 1.150 553 HD22 LEU 73 2HD2 LEU 73 -10.866 -8.672 0.817 554 HD23 LEU 73 3HD2 LEU 73 -10.342 -8.927 2.482 555 H ALA 74 H ALA 74 -5.543 -6.526 3.528 556 HA ALA 74 HA ALA 74 -3.688 -8.326 2.299 557 HB1 ALA 74 1HB ALA 74 -2.700 -6.340 2.070 558 HB2 ALA 74 2HB ALA 74 -3.638 -5.628 3.384 559 HB3 ALA 74 3HB ALA 74 -2.170 -6.537 3.741 560 H GLU 75 H GLU 75 -4.579 -7.514 5.613 561 HA GLU 75 HA GLU 75 -2.501 -9.028 6.837 562 HB2 GLU 75 1HB GLU 75 -3.530 -7.249 8.083 563 HB3 GLU 75 2HB GLU 75 -5.122 -7.970 7.897 564 HG2 GLU 75 1HG GLU 75 -2.889 -9.346 9.353 565 HG3 GLU 75 2HG GLU 75 -4.005 -8.235 10.147 566 H LYS 76 H LYS 76 -5.546 -9.818 5.460 567 HA LYS 76 HA LYS 76 -5.628 -12.417 6.805 568 HB2 LYS 76 1HB LYS 76 -7.713 -11.084 6.656 569 HB3 LYS 76 2HB LYS 76 -7.620 -11.170 4.902 570 HG2 LYS 76 1HG LYS 76 -7.931 -13.548 4.944 571 HG3 LYS 76 2HG LYS 76 -7.838 -13.569 6.707 572 HD2 LYS 76 1HD LYS 76 -9.925 -11.999 5.212 573 HD3 LYS 76 2HD LYS 76 -10.162 -13.683 5.686 574 HE2 LYS 76 1HE LYS 76 -10.266 -13.182 7.920 575 HE3 LYS 76 2HE LYS 76 -9.264 -11.741 7.753 576 HZ1 LYS 76 1HZ LYS 76 -11.931 -11.718 8.058 577 HZ2 LYS 76 2HZ LYS 76 -11.797 -11.603 6.376 578 HZ3 LYS 76 3HZ LYS 76 -11.039 -10.459 7.366 579 H GLU 77 H GLU 77 -5.909 -11.156 3.476 580 HA GLU 77 HA GLU 77 -5.546 -13.647 2.217 581 HB2 GLU 77 1HB GLU 77 -4.944 -10.891 1.128 582 HB3 GLU 77 2HB GLU 77 -5.152 -12.354 0.175 583 HG2 GLU 77 1HG GLU 77 -7.312 -11.290 1.964 584 HG3 GLU 77 2HG GLU 77 -7.116 -10.756 0.296 585 H LEU 78 H LEU 78 -3.238 -10.929 2.177 586 HA LEU 78 HA LEU 78 -1.042 -12.518 1.417 587 HB2 LEU 78 1HB LEU 78 -0.897 -9.906 2.904 588 HB3 LEU 78 2HB LEU 78 0.309 -10.597 1.821 589 HG LEU 78 HG LEU 78 -2.415 -9.650 0.938 590 HD11 LEU 78 1HD1 LEU 78 -1.279 -7.716 1.687 591 HD12 LEU 78 2HD1 LEU 78 -1.083 -7.757 -0.066 592 HD13 LEU 78 3HD1 LEU 78 0.247 -8.250 0.983 593 HD21 LEU 78 1HD2 LEU 78 -0.871 -9.586 -1.248 594 HD22 LEU 78 2HD2 LEU 78 -1.813 -11.001 -0.775 595 HD23 LEU 78 3HD2 LEU 78 -0.094 -10.915 -0.386 596 H GLY 79 H GLY 79 -1.928 -11.151 4.588 597 HA2 GLY 79 1HA GLY 79 -1.735 -12.518 6.574 598 HA3 GLY 79 2HA GLY 79 -0.356 -13.313 5.832 599 H LEU 80 H LEU 80 -0.909 -9.839 5.870 600 HA LEU 80 HA LEU 80 1.632 -9.509 7.274 601 HB2 LEU 80 1HB LEU 80 -0.120 -7.532 5.824 602 HB3 LEU 80 2HB LEU 80 1.408 -7.132 6.606 603 HG LEU 80 HG LEU 80 1.243 -9.162 4.397 604 HD11 LEU 80 1HD1 LEU 80 1.874 -7.386 2.840 605 HD12 LEU 80 2HD1 LEU 80 1.678 -6.191 4.122 606 HD13 LEU 80 3HD1 LEU 80 0.280 -7.097 3.541 607 HD21 LEU 80 1HD2 LEU 80 3.646 -7.880 4.255 608 HD22 LEU 80 2HD2 LEU 80 3.359 -9.406 5.094 609 HD23 LEU 80 3HD2 LEU 80 3.341 -7.887 5.992 610 H THR 81 H THR 81 1.798 -8.778 9.303 611 HA THR 81 HA THR 81 -0.458 -8.652 10.989 612 HB THR 81 HB THR 81 2.323 -7.590 11.528 613 HG1 THR 81 1HG THR 81 2.263 -9.770 12.716 614 HG21 THR 81 1HG2 THR 81 1.065 -6.717 13.257 615 HG22 THR 81 2HG2 THR 81 1.527 -8.284 13.925 616 HG23 THR 81 3HG2 THR 81 -0.083 -8.056 13.239 617 H LYS 82 H LYS 82 -1.913 -7.087 11.114 618 HA LYS 82 HA LYS 82 -1.774 -4.610 9.879 619 HB2 LYS 82 1HB LYS 82 -3.478 -5.795 12.012 620 HB3 LYS 82 2HB LYS 82 -3.542 -4.050 11.803 621 HG2 LYS 82 1HG LYS 82 -4.153 -4.343 9.461 622 HG3 LYS 82 2HG LYS 82 -4.069 -6.096 9.656 623 HD2 LYS 82 1HD LYS 82 -5.870 -4.381 11.347 624 HD3 LYS 82 2HD LYS 82 -6.378 -5.017 9.780 625 HE2 LYS 82 1HE LYS 82 -5.870 -7.300 10.593 626 HE3 LYS 82 2HE LYS 82 -5.483 -6.621 12.173 627 HZ1 LYS 82 1HZ LYS 82 -8.115 -6.207 10.882 628 HZ2 LYS 82 2HZ LYS 82 -7.698 -5.977 12.505 629 HZ3 LYS 82 3HZ LYS 82 -7.799 -7.543 11.872 630 H LEU 83 H LEU 83 -0.006 -3.362 10.257 631 HA LEU 83 HA LEU 83 0.952 -2.868 12.930 632 HB2 LEU 83 1HB LEU 83 1.745 -1.468 10.386 633 HB3 LEU 83 2HB LEU 83 2.648 -1.530 11.899 634 HG LEU 83 HG LEU 83 2.131 -3.880 10.078 635 HD11 LEU 83 1HD1 LEU 83 4.122 -1.788 10.024 636 HD12 LEU 83 2HD1 LEU 83 3.801 -3.071 8.858 637 HD13 LEU 83 3HD1 LEU 83 4.856 -3.379 10.237 638 HD21 LEU 83 1HD2 LEU 83 3.744 -5.039 11.494 639 HD22 LEU 83 2HD2 LEU 83 2.346 -4.508 12.430 640 HD23 LEU 83 3HD2 LEU 83 3.866 -3.618 12.531 641 H LEU 84 H LEU 84 -0.872 -1.121 10.471 642 HA LEU 84 HA LEU 84 -1.252 1.091 12.373 643 HB2 LEU 84 1HB LEU 84 -1.679 1.025 9.388 644 HB3 LEU 84 2HB LEU 84 -1.937 2.423 10.431 645 HG LEU 84 HG LEU 84 0.740 1.092 10.039 646 HD11 LEU 84 1HD1 LEU 84 -0.439 2.236 8.003 647 HD12 LEU 84 2HD1 LEU 84 1.259 2.555 8.350 648 HD13 LEU 84 3HD1 LEU 84 0.026 3.721 8.831 649 HD21 LEU 84 1HD2 LEU 84 -0.279 3.367 11.625 650 HD22 LEU 84 2HD2 LEU 84 1.257 3.612 10.793 651 HD23 LEU 84 3HD2 LEU 84 1.075 2.280 11.934 652 H ASP 85 H ASP 85 -3.503 2.253 11.596 653 HA ASP 85 HA ASP 85 -5.583 0.190 11.470 654 HB2 ASP 85 1HB ASP 85 -5.257 2.286 13.603 655 HB3 ASP 85 2HB ASP 85 -6.838 1.608 13.226 656 HA PRO 86 HA PRO 86 -7.592 2.888 8.654 657 HB2 PRO 86 1HB PRO 86 -10.203 2.328 9.148 658 HB3 PRO 86 2HB PRO 86 -9.121 1.207 8.315 659 HG2 PRO 86 1HG PRO 86 -9.981 1.233 11.182 660 HG3 PRO 86 2HG PRO 86 -9.830 -0.142 10.072 661 HD2 PRO 86 1HD PRO 86 -7.947 0.447 11.927 662 HD3 PRO 86 2HD PRO 86 -7.548 -0.284 10.360 663 H GLU 87 H GLU 87 -7.638 3.420 11.927 664 HA GLU 87 HA GLU 87 -9.228 5.884 11.629 665 HB2 GLU 87 1HB GLU 87 -8.846 4.061 13.993 666 HB3 GLU 87 2HB GLU 87 -9.390 5.721 14.190 667 HG2 GLU 87 1HG GLU 87 -10.824 3.952 12.276 668 HG3 GLU 87 2HG GLU 87 -11.101 3.754 14.005 669 H ASP 88 H ASP 88 -6.291 4.441 12.909 670 HA ASP 88 HA ASP 88 -5.272 6.837 14.069 671 HB2 ASP 88 1HB ASP 88 -4.195 4.120 13.476 672 HB3 ASP 88 2HB ASP 88 -3.041 5.419 13.769 673 H VAL 89 H VAL 89 -4.901 5.247 10.945 674 HA VAL 89 HA VAL 89 -2.902 7.064 9.992 675 HB VAL 89 HB VAL 89 -4.665 5.138 8.473 676 HG11 VAL 89 1HG1 VAL 89 -3.526 5.603 6.549 677 HG12 VAL 89 2HG1 VAL 89 -3.488 7.197 7.305 678 HG13 VAL 89 3HG1 VAL 89 -2.079 6.140 7.402 679 HG21 VAL 89 1HG2 VAL 89 -2.526 3.809 8.373 680 HG22 VAL 89 2HG2 VAL 89 -1.878 4.908 9.591 681 HG23 VAL 89 3HG2 VAL 89 -3.283 3.911 9.964 682 H ASN 90 H ASN 90 -6.198 6.474 8.762 683 HA ASN 90 HA ASN 90 -6.527 8.623 7.155 684 HB2 ASN 90 1HB ASN 90 -8.780 8.201 7.213 685 HB3 ASN 90 2HB ASN 90 -8.201 6.725 7.979 686 HD21 ASN 90 1HD2 ASN 90 -10.389 9.150 8.205 687 HD22 ASN 90 2HD2 ASN 90 -10.738 9.073 9.895 688 H VAL 91 H VAL 91 -5.956 10.666 7.513 689 HA VAL 91 HA VAL 91 -7.304 12.304 9.358 690 HB VAL 91 HB VAL 91 -5.792 11.086 10.952 691 HG11 VAL 91 1HG1 VAL 91 -3.872 11.534 9.025 692 HG12 VAL 91 2HG1 VAL 91 -3.459 12.690 10.293 693 HG13 VAL 91 3HG1 VAL 91 -3.582 10.970 10.671 694 HG21 VAL 91 1HG2 VAL 91 -5.176 14.028 10.804 695 HG22 VAL 91 2HG2 VAL 91 -6.747 13.400 11.302 696 HG23 VAL 91 3HG2 VAL 91 -5.305 13.014 12.241 697 H ASP 92 H ASP 92 -6.374 14.538 9.423 698 HA ASP 92 HA ASP 92 -5.913 15.533 6.890 699 HB2 ASP 92 1HB ASP 92 -5.365 16.641 9.628 700 HB3 ASP 92 2HB ASP 92 -4.920 17.552 8.189 701 H GLN 93 H GLN 93 -3.479 15.094 9.461 702 HA GLN 93 HA GLN 93 -1.460 14.695 7.368 703 HB2 GLN 93 1HB GLN 93 0.150 15.989 8.837 704 HB3 GLN 93 2HB GLN 93 -1.071 16.943 8.004 705 HG2 GLN 93 1HG GLN 93 -2.307 17.279 9.969 706 HG3 GLN 93 2HG GLN 93 -1.438 16.008 10.829 707 HE21 GLN 93 1HE2 GLN 93 -1.136 19.218 9.433 708 HE22 GLN 93 2HE2 GLN 93 0.166 19.738 10.442 709 HA PRO 94 HA PRO 94 -1.295 11.264 10.427 710 HB2 PRO 94 1HB PRO 94 -0.726 9.362 8.575 711 HB3 PRO 94 2HB PRO 94 -2.375 9.883 8.942 712 HG2 PRO 94 1HG PRO 94 -0.589 10.699 6.681 713 HG3 PRO 94 2HG PRO 94 -2.317 10.301 6.655 714 HD2 PRO 94 1HD PRO 94 -1.410 12.852 6.649 715 HD3 PRO 94 2HD PRO 94 -2.938 12.383 7.423 716 H ASP 95 H ASP 95 0.499 9.522 10.582 717 HA ASP 95 HA ASP 95 3.027 10.919 10.517 718 HB2 ASP 95 1HB ASP 95 1.990 8.420 11.755 719 HB3 ASP 95 2HB ASP 95 3.722 8.511 11.449 720 H GLU 96 H GLU 96 3.687 11.081 8.403 721 HA GLU 96 HA GLU 96 3.510 9.290 6.356 722 HB2 GLU 96 1HB GLU 96 5.672 10.281 5.510 723 HB3 GLU 96 2HB GLU 96 4.415 11.443 5.915 724 HG2 GLU 96 1HG GLU 96 6.522 10.719 7.907 725 HG3 GLU 96 2HG GLU 96 6.838 11.908 6.646 726 H LYS 97 H LYS 97 5.877 9.298 8.972 727 HA LYS 97 HA LYS 97 7.485 7.198 7.956 728 HB2 LYS 97 1HB LYS 97 7.205 8.635 10.533 729 HB3 LYS 97 2HB LYS 97 7.931 7.034 10.609 730 HG2 LYS 97 1HG LYS 97 9.677 8.646 10.409 731 HG3 LYS 97 2HG LYS 97 9.569 7.756 8.888 732 HD2 LYS 97 1HD LYS 97 8.005 10.272 9.153 733 HD3 LYS 97 2HD LYS 97 9.754 10.398 8.952 734 HE2 LYS 97 1HE LYS 97 9.332 8.691 7.003 735 HE3 LYS 97 2HE LYS 97 7.692 9.335 7.077 736 HZ1 LYS 97 1HZ LYS 97 8.374 11.066 5.905 737 HZ2 LYS 97 2HZ LYS 97 9.957 10.472 5.876 738 HZ3 LYS 97 3HZ LYS 97 9.460 11.492 7.129 739 H SER 98 H SER 98 4.881 7.250 10.379 740 HA SER 98 HA SER 98 4.915 4.504 10.957 741 HB2 SER 98 1HB SER 98 3.649 6.545 12.083 742 HB3 SER 98 2HB SER 98 2.332 6.005 11.043 743 HG SER 98 HG SER 98 1.998 4.480 12.431 744 H ILE 99 H ILE 99 3.979 6.124 8.150 745 HA ILE 99 HA ILE 99 2.144 4.005 7.306 746 HB ILE 99 HB ILE 99 2.844 6.657 6.052 747 HG12 ILE 99 1HG1 ILE 99 0.199 5.626 7.093 748 HG13 ILE 99 2HG1 ILE 99 1.307 6.606 8.048 749 HG21 ILE 99 1HG2 ILE 99 2.230 5.824 4.088 750 HG22 ILE 99 2HG2 ILE 99 1.818 4.274 4.821 751 HG23 ILE 99 3HG2 ILE 99 0.618 5.564 4.755 752 HD11 ILE 99 1HD1 ILE 99 1.110 8.393 6.350 753 HD12 ILE 99 2HD1 ILE 99 -0.100 7.416 5.517 754 HD13 ILE 99 3HD1 ILE 99 -0.413 8.005 7.149 755 H ILE 100 H ILE 100 5.184 5.552 6.351 756 HA ILE 100 HA ILE 100 5.661 4.041 4.036 757 HB ILE 100 HB ILE 100 7.624 5.332 5.931 758 HG12 ILE 100 1HG1 ILE 100 6.951 6.340 3.196 759 HG13 ILE 100 2HG1 ILE 100 5.824 6.643 4.514 760 HG21 ILE 100 1HG2 ILE 100 9.302 5.086 4.242 761 HG22 ILE 100 2HG2 ILE 100 8.613 3.496 4.566 762 HG23 ILE 100 3HG2 ILE 100 8.138 4.384 3.119 763 HD11 ILE 100 1HD1 ILE 100 7.612 7.746 5.769 764 HD12 ILE 100 2HD1 ILE 100 8.715 7.469 4.421 765 HD13 ILE 100 3HD1 ILE 100 7.314 8.519 4.213 766 H THR 101 H THR 101 6.050 3.290 7.401 767 HA THR 101 HA THR 101 7.873 1.133 7.117 768 HB THR 101 HB THR 101 5.839 1.509 9.320 769 HG1 THR 101 1HG THR 101 7.223 3.367 8.974 770 HG21 THR 101 1HG2 THR 101 7.509 -0.608 8.863 771 HG22 THR 101 2HG2 THR 101 6.890 -0.130 10.445 772 HG23 THR 101 3HG2 THR 101 8.487 0.407 9.924 773 H TYR 102 H TYR 102 4.337 1.316 7.270 774 HA TYR 102 HA TYR 102 3.912 -1.488 7.174 775 HB2 TYR 102 1HB TYR 102 2.208 0.065 8.014 776 HB3 TYR 102 2HB TYR 102 2.054 0.776 6.410 777 HD1 TYR 102 2HD TYR 102 1.351 -0.840 4.502 778 HD2 TYR 102 1HD TYR 102 0.821 -1.694 8.637 779 HE1 TYR 102 2HE TYR 102 -0.379 -2.493 3.933 780 HE2 TYR 102 1HE TYR 102 -0.909 -3.349 8.079 781 HH TYR 102 HH TYR 102 -2.575 -3.518 5.633 782 H VAL 103 H VAL 103 3.164 0.944 4.671 783 HA VAL 103 HA VAL 103 2.674 -0.686 2.551 784 HB VAL 103 HB VAL 103 2.492 1.756 2.431 785 HG11 VAL 103 1HG1 VAL 103 4.696 2.952 1.775 786 HG12 VAL 103 2HG1 VAL 103 4.360 2.641 3.478 787 HG13 VAL 103 3HG1 VAL 103 5.475 1.599 2.593 788 HG21 VAL 103 1HG2 VAL 103 4.188 1.617 0.165 789 HG22 VAL 103 2HG2 VAL 103 3.466 0.025 0.395 790 HG23 VAL 103 3HG2 VAL 103 2.434 1.445 0.234 791 H ALA 104 H ALA 104 5.754 -0.052 4.031 792 HA ALA 104 HA ALA 104 7.517 -0.781 2.017 793 HB1 ALA 104 1HB ALA 104 7.612 -0.476 4.887 794 HB2 ALA 104 2HB ALA 104 8.635 -1.807 4.348 795 HB3 ALA 104 3HB ALA 104 8.868 -0.191 3.682 796 H THR 105 H THR 105 5.712 -2.816 4.272 797 HA THR 105 HA THR 105 6.914 -5.269 3.705 798 HB THR 105 HB THR 105 4.874 -6.323 4.537 799 HG1 THR 105 1HG THR 105 3.806 -3.776 3.999 800 HG21 THR 105 1HG2 THR 105 6.542 -4.811 5.983 801 HG22 THR 105 2HG2 THR 105 5.164 -5.652 6.692 802 HG23 THR 105 3HG2 THR 105 5.040 -3.940 6.290 803 H TYR 106 H TYR 106 4.202 -3.635 2.117 804 HA TYR 106 HA TYR 106 3.347 -5.610 0.402 805 HB2 TYR 106 1HB TYR 106 3.459 -2.624 0.173 806 HB3 TYR 106 2HB TYR 106 2.924 -3.582 -1.203 807 HD1 TYR 106 1HD TYR 106 2.287 -4.368 2.360 808 HD2 TYR 106 2HD TYR 106 0.654 -2.920 -1.292 809 HE1 TYR 106 1HE TYR 106 0.030 -4.489 3.328 810 HE2 TYR 106 2HE TYR 106 -1.607 -3.036 -0.333 811 HH TYR 106 HH TYR 106 -2.756 -4.353 1.518 812 H TYR 107 H TYR 107 6.039 -3.350 -0.048 813 HA TYR 107 HA TYR 107 6.728 -4.221 -2.650 814 HB2 TYR 107 1HB TYR 107 7.590 -2.126 -2.101 815 HB3 TYR 107 2HB TYR 107 8.138 -2.655 -0.515 816 HD1 TYR 107 2HD TYR 107 8.866 -2.807 -4.136 817 HD2 TYR 107 1HD TYR 107 10.318 -3.547 -0.206 818 HE1 TYR 107 2HE TYR 107 11.125 -3.157 -5.043 819 HE2 TYR 107 1HE TYR 107 12.582 -3.899 -1.102 820 HH TYR 107 HH TYR 107 13.572 -4.613 -3.371 821 H HIS 108 H HIS 108 8.487 -4.761 0.409 822 HA HIS 108 HA HIS 108 10.268 -6.662 -0.492 823 HB2 HIS 108 1HB HIS 108 8.980 -6.355 2.223 824 HB3 HIS 108 2HB HIS 108 10.300 -7.476 1.904 825 HD1 HIS 108 1HD HIS 108 12.587 -6.313 1.060 826 HD2 HIS 108 2HD HIS 108 9.764 -3.809 2.798 827 HE1 HIS 108 1HE HIS 108 13.833 -4.216 1.670 828 HE2 HIS 108 2HE HIS 108 12.124 -2.750 2.797 829 H TYR 109 H TYR 109 7.212 -7.360 1.216 830 HA TYR 109 HA TYR 109 7.134 -10.061 1.091 831 HB2 TYR 109 1HB TYR 109 5.337 -8.899 2.145 832 HB3 TYR 109 2HB TYR 109 4.885 -8.098 0.645 833 HD1 TYR 109 1HD TYR 109 3.677 -9.316 -1.103 834 HD2 TYR 109 2HD TYR 109 4.650 -11.166 2.603 835 HE1 TYR 109 1HE TYR 109 2.061 -11.109 -1.580 836 HE2 TYR 109 2HE TYR 109 3.039 -12.965 2.135 837 HH TYR 109 HH TYR 109 1.352 -13.622 0.796 838 H PHE 110 H PHE 110 5.465 -8.133 -1.399 839 HA PHE 110 HA PHE 110 5.084 -10.165 -3.227 840 HB2 PHE 110 1HB PHE 110 5.229 -7.199 -3.408 841 HB3 PHE 110 2HB PHE 110 5.309 -8.103 -4.916 842 HD1 PHE 110 2HD PHE 110 3.463 -9.967 -5.175 843 HD2 PHE 110 1HD PHE 110 3.171 -6.590 -2.600 844 HE1 PHE 110 2HE PHE 110 1.012 -10.185 -5.174 845 HE2 PHE 110 1HE PHE 110 0.720 -6.803 -2.594 846 HZ PHE 110 HZ PHE 110 -0.363 -8.601 -3.883 847 H SER 111 H SER 111 7.864 -8.007 -2.871 848 HA SER 111 HA SER 111 9.299 -8.683 -5.135 849 HB2 SER 111 1HB SER 111 9.845 -6.929 -3.341 850 HB3 SER 111 2HB SER 111 10.622 -8.246 -2.461 851 HG SER 111 HG SER 111 11.264 -7.789 -5.159 852 H LYS 112 H LYS 112 9.298 -10.283 -1.966 853 HA LYS 112 HA LYS 112 11.253 -12.172 -2.338 854 HB2 LYS 112 1HB LYS 112 8.611 -12.382 -0.897 855 HB3 LYS 112 2HB LYS 112 9.835 -13.642 -0.824 856 HG2 LYS 112 1HG LYS 112 10.328 -10.787 -0.015 857 HG3 LYS 112 2HG LYS 112 9.837 -12.061 1.104 858 HD2 LYS 112 1HD LYS 112 11.883 -13.338 0.128 859 HD3 LYS 112 2HD LYS 112 12.410 -11.733 -0.388 860 HE2 LYS 112 1HE LYS 112 12.169 -10.964 1.963 861 HE3 LYS 112 2HE LYS 112 11.794 -12.624 2.428 862 HZ1 LYS 112 1HZ LYS 112 13.930 -13.230 2.286 863 HZ2 LYS 112 2HZ LYS 112 14.258 -11.576 2.424 864 HZ3 LYS 112 3HZ LYS 112 14.228 -12.309 0.898 865 H MET 113 H MET 113 7.883 -12.306 -3.418 866 HA MET 113 HA MET 113 7.873 -14.921 -4.398 867 HB2 MET 113 1HB MET 113 6.320 -12.454 -5.127 868 HB3 MET 113 2HB MET 113 6.078 -13.964 -5.997 869 HG2 MET 113 1HG MET 113 5.917 -13.921 -3.019 870 HG3 MET 113 2HG MET 113 4.556 -13.359 -3.988 871 HE1 MET 113 1HE MET 113 4.892 -15.853 -1.840 872 HE2 MET 113 2HE MET 113 4.995 -17.445 -2.594 873 HE3 MET 113 3HE MET 113 6.419 -16.406 -2.528 874 H LYS 114 H LYS 114 7.843 -15.613 -6.672 875 HA LYS 114 HA LYS 114 8.850 -15.884 -8.692 876 HB2 LYS 114 1HB LYS 114 8.991 -12.870 -8.534 877 HB3 LYS 114 2HB LYS 114 9.413 -13.798 -9.968 878 HG2 LYS 114 1HG LYS 114 7.128 -14.680 -10.058 879 HG3 LYS 114 2HG LYS 114 6.710 -13.717 -8.639 880 HD2 LYS 114 1HD LYS 114 7.338 -11.675 -9.914 881 HD3 LYS 114 2HD LYS 114 7.586 -12.689 -11.338 882 HE2 LYS 114 1HE LYS 114 5.426 -11.948 -11.659 883 HE3 LYS 114 2HE LYS 114 5.158 -13.492 -10.850 884 HZ1 LYS 114 1HZ LYS 114 4.176 -12.472 -9.161 885 HZ2 LYS 114 2HZ LYS 114 4.202 -11.042 -10.065 886 HZ3 LYS 114 3HZ LYS 114 5.450 -11.374 -8.973 887 H ALA 115 H ALA 115 10.450 -16.267 -6.443 888 HA ALA 115 HA ALA 115 13.079 -15.453 -7.490 889 HB1 ALA 115 1HB ALA 115 12.066 -15.328 -4.680 890 HB2 ALA 115 2HB ALA 115 13.787 -15.554 -4.998 891 HB3 ALA 115 3HB ALA 115 12.958 -14.120 -5.604 892 H LEU 116 H LEU 116 14.847 -16.865 -6.361 893 HA LEU 116 HA LEU 116 14.688 -19.437 -7.270 894 HB2 LEU 116 1HB LEU 116 16.309 -18.137 -5.132 895 HB3 LEU 116 2HB LEU 116 16.402 -19.886 -5.328 896 HG LEU 116 HG LEU 116 18.218 -18.638 -6.474 897 HD11 LEU 116 1HD1 LEU 116 17.795 -20.810 -7.276 898 HD12 LEU 116 2HD1 LEU 116 17.875 -19.782 -8.707 899 HD13 LEU 116 3HD1 LEU 116 16.311 -20.308 -8.087 900 HD21 LEU 116 1HD2 LEU 116 17.613 -17.495 -8.607 901 HD22 LEU 116 2HD2 LEU 116 17.075 -16.651 -7.155 902 HD23 LEU 116 3HD2 LEU 116 15.922 -17.580 -8.113 903 H ALA 117 H ALA 117 14.032 -18.354 -3.943 904 HA ALA 117 HA ALA 117 13.422 -20.796 -2.795 905 HB1 ALA 117 1HB ALA 117 12.742 -17.983 -2.221 906 HB2 ALA 117 2HB ALA 117 11.710 -19.202 -1.472 907 HB3 ALA 117 3HB ALA 117 13.449 -19.218 -1.180 908 H VAL 118 H VAL 118 11.528 -21.974 -2.491 909 HA VAL 118 HA VAL 118 9.450 -21.479 -4.516 910 HB VAL 118 HB VAL 118 10.156 -24.047 -3.088 911 HG11 VAL 118 1HG1 VAL 118 7.837 -23.233 -4.668 912 HG12 VAL 118 2HG1 VAL 118 8.608 -24.712 -5.245 913 HG13 VAL 118 3HG1 VAL 118 8.044 -24.604 -3.577 914 HG21 VAL 118 1HG2 VAL 118 11.218 -24.762 -5.028 915 HG22 VAL 118 2HG2 VAL 118 10.438 -23.536 -6.026 916 HG23 VAL 118 3HG2 VAL 118 11.717 -23.075 -4.903 917 H GLU 119 H GLU 119 7.281 -21.520 -3.971 918 HA GLU 119 HA GLU 119 6.643 -21.662 -1.103 919 HB2 GLU 119 1HB GLU 119 5.832 -19.535 -3.077 920 HB3 GLU 119 2HB GLU 119 4.959 -19.802 -1.574 921 HG2 GLU 119 1HG GLU 119 7.831 -18.971 -1.889 922 HG3 GLU 119 2HG GLU 119 6.497 -18.009 -1.252 923 H GLY 120 H GLY 120 4.159 -21.722 -0.812 924 HA2 GLY 120 1HA GLY 120 3.211 -24.036 -2.164 925 HA3 GLY 120 2HA GLY 120 2.291 -23.043 -1.043 926 H LYS 121 H LYS 121 0.502 -23.503 -2.515 927 HA LYS 121 HA LYS 121 0.395 -21.490 -4.642 928 HB2 LYS 121 1HB LYS 121 0.887 -23.847 -5.533 929 HB3 LYS 121 2HB LYS 121 -0.758 -24.243 -5.052 930 HG2 LYS 121 1HG LYS 121 -1.698 -22.875 -6.654 931 HG3 LYS 121 2HG LYS 121 -0.248 -21.879 -6.803 932 HD2 LYS 121 1HD LYS 121 0.876 -23.519 -8.060 933 HD3 LYS 121 2HD LYS 121 -0.280 -24.774 -7.610 934 HE2 LYS 121 1HE LYS 121 -2.025 -23.458 -8.856 935 HE3 LYS 121 2HE LYS 121 -0.722 -22.433 -9.453 936 HZ1 LYS 121 1HZ LYS 121 -1.556 -24.972 -10.385 937 HZ2 LYS 121 2HZ LYS 121 0.070 -25.036 -9.924 938 HZ3 LYS 121 3HZ LYS 121 -0.439 -23.901 -11.070 939 H SER 122 H SER 122 -1.776 -20.864 -5.235 940 HA SER 122 HA SER 122 -3.557 -20.939 -2.941 941 HB2 SER 122 1HB SER 122 -3.538 -19.347 -5.503 942 HB3 SER 122 2HB SER 122 -4.896 -19.298 -4.380 943 HG SER 122 HG SER 122 -2.435 -18.947 -3.204 944 H GLY 123 H GLY 123 -6.019 -20.915 -3.658 945 HA2 GLY 123 1HA GLY 123 -6.406 -23.326 -5.324 946 HA3 GLY 123 2HA GLY 123 -7.373 -22.960 -3.903 947 HA PRO 124 HA PRO 124 -8.667 -19.897 -7.449 948 HB2 PRO 124 1HB PRO 124 -7.978 -20.689 -9.952 949 HB3 PRO 124 2HB PRO 124 -6.960 -19.637 -8.964 950 HG2 PRO 124 1HG PRO 124 -6.747 -22.586 -9.429 951 HG3 PRO 124 2HG PRO 124 -5.463 -21.364 -9.392 952 HD2 PRO 124 1HD PRO 124 -5.985 -22.992 -7.293 953 HD3 PRO 124 2HD PRO 124 -5.384 -21.333 -7.089 954 H SER 125 H SER 125 -10.783 -20.302 -7.497 955 HA SER 125 HA SER 125 -11.708 -22.764 -8.830 956 HB2 SER 125 1HB SER 125 -13.616 -22.802 -7.289 957 HB3 SER 125 2HB SER 125 -12.096 -22.854 -6.396 958 HG SER 125 HG SER 125 -13.932 -20.739 -6.667 959 H SER 126 H SER 126 -11.262 -20.428 -10.255 960 HA SER 126 HA SER 126 -13.684 -18.912 -10.509 961 HB2 SER 126 1HB SER 126 -11.430 -17.971 -11.013 962 HB3 SER 126 2HB SER 126 -11.328 -19.045 -12.407 963 HG SER 126 HG SER 126 -12.689 -17.815 -13.467 964 H GLY 127 H GLY 127 -15.346 -19.187 -11.895 965 HA2 GLY 127 1HA GLY 127 -15.922 -20.013 -14.210 966 HA3 GLY 127 2HA GLY 127 -15.192 -21.526 -13.694 Start of MODEL 18 1 H1 GLY 1 H GLY 1 29.395 7.791 -6.485 2 HA2 GLY 1 1HA GLY 1 28.796 10.005 -6.006 3 HA3 GLY 1 2HA GLY 1 29.060 10.090 -7.741 4 H SER 2 H SER 2 26.847 10.536 -5.242 5 HA SER 2 HA SER 2 24.825 11.430 -7.072 6 HB2 SER 2 1HB SER 2 24.327 8.985 -5.364 7 HB3 SER 2 2HB SER 2 23.035 9.946 -6.083 8 HG SER 2 HG SER 2 23.718 9.363 -8.092 9 H SER 3 H SER 3 24.283 13.307 -6.199 10 HA SER 3 HA SER 3 24.597 13.843 -3.400 11 HB2 SER 3 1HB SER 3 25.009 15.558 -5.150 12 HB3 SER 3 2HB SER 3 23.287 15.549 -5.532 13 HG SER 3 HG SER 3 23.873 17.231 -4.072 14 H GLY 4 H GLY 4 23.165 13.467 -1.851 15 HA2 GLY 4 1HA GLY 4 20.441 14.077 -1.966 16 HA3 GLY 4 2HA GLY 4 20.612 12.370 -2.352 17 H SER 5 H SER 5 20.081 11.208 -0.631 18 HA SER 5 HA SER 5 21.394 11.799 1.914 19 HB2 SER 5 1HB SER 5 18.408 11.481 1.555 20 HB3 SER 5 2HB SER 5 19.220 11.371 3.117 21 HG SER 5 HG SER 5 18.365 13.490 2.557 22 H SER 6 H SER 6 21.705 10.009 3.247 23 HA SER 6 HA SER 6 21.498 7.448 1.861 24 HB2 SER 6 1HB SER 6 23.682 8.015 2.773 25 HB3 SER 6 2HB SER 6 22.985 8.244 4.377 26 HG SER 6 HG SER 6 22.984 6.157 4.670 27 H GLY 7 H GLY 7 19.609 6.439 2.150 28 HA2 GLY 7 1HA GLY 7 18.245 5.027 3.471 29 HA3 GLY 7 2HA GLY 7 18.754 5.913 4.900 30 H ALA 8 H ALA 8 17.335 6.992 1.820 31 HA ALA 8 HA ALA 8 15.370 8.534 3.346 32 HB1 ALA 8 1HB ALA 8 16.692 8.841 0.756 33 HB2 ALA 8 2HB ALA 8 14.965 9.203 0.727 34 HB3 ALA 8 3HB ALA 8 16.028 10.059 1.846 35 H LYS 9 H LYS 9 13.246 8.782 1.822 36 HA LYS 9 HA LYS 9 12.269 6.029 1.440 37 HB2 LYS 9 1HB LYS 9 10.071 6.799 2.078 38 HB3 LYS 9 2HB LYS 9 11.224 7.273 3.319 39 HG2 LYS 9 1HG LYS 9 10.633 9.226 1.167 40 HG3 LYS 9 2HG LYS 9 9.391 8.935 2.386 41 HD2 LYS 9 1HD LYS 9 10.682 9.778 4.096 42 HD3 LYS 9 2HD LYS 9 12.200 9.424 3.267 43 HE2 LYS 9 1HE LYS 9 10.308 11.456 2.152 44 HE3 LYS 9 2HE LYS 9 11.386 11.885 3.479 45 HZ1 LYS 9 1HZ LYS 9 12.899 10.548 1.557 46 HZ2 LYS 9 2HZ LYS 9 12.993 12.176 2.006 47 HZ3 LYS 9 3HZ LYS 9 11.975 11.706 0.740 48 H ASP 10 H ASP 10 13.592 7.242 -0.654 49 HA ASP 10 HA ASP 10 11.562 8.335 -2.440 50 HB2 ASP 10 1HB ASP 10 14.442 7.795 -3.143 51 HB3 ASP 10 2HB ASP 10 13.332 8.941 -3.890 52 H ALA 11 H ALA 11 13.848 5.611 -2.358 53 HA ALA 11 HA ALA 11 13.244 4.349 -4.708 54 HB1 ALA 11 1HB ALA 11 14.839 3.111 -3.750 55 HB2 ALA 11 2HB ALA 11 14.306 3.521 -2.119 56 HB3 ALA 11 3HB ALA 11 13.511 2.221 -3.007 57 H LEU 12 H LEU 12 11.555 3.902 -1.604 58 HA LEU 12 HA LEU 12 9.646 2.069 -2.526 59 HB2 LEU 12 1HB LEU 12 10.142 2.554 -0.149 60 HB3 LEU 12 2HB LEU 12 9.329 4.108 -0.328 61 HG LEU 12 HG LEU 12 7.220 2.915 -0.805 62 HD11 LEU 12 1HD1 LEU 12 8.294 0.854 -1.691 63 HD12 LEU 12 2HD1 LEU 12 7.029 0.550 -0.500 64 HD13 LEU 12 3HD1 LEU 12 8.727 0.423 -0.036 65 HD21 LEU 12 1HD2 LEU 12 8.654 2.990 1.695 66 HD22 LEU 12 2HD2 LEU 12 7.524 1.637 1.653 67 HD23 LEU 12 3HD2 LEU 12 6.946 3.279 1.370 68 H LEU 13 H LEU 13 9.201 5.556 -1.900 69 HA LEU 13 HA LEU 13 6.695 5.975 -2.796 70 HB2 LEU 13 1HB LEU 13 8.216 7.729 -1.968 71 HB3 LEU 13 2HB LEU 13 9.062 7.701 -3.514 72 HG LEU 13 HG LEU 13 6.862 8.383 -4.574 73 HD11 LEU 13 1HD1 LEU 13 5.655 7.734 -2.345 74 HD12 LEU 13 2HD1 LEU 13 5.080 9.091 -3.314 75 HD13 LEU 13 3HD1 LEU 13 6.067 9.386 -1.883 76 HD21 LEU 13 1HD2 LEU 13 7.427 10.592 -4.406 77 HD22 LEU 13 2HD2 LEU 13 8.908 9.851 -3.797 78 HD23 LEU 13 3HD2 LEU 13 7.718 10.502 -2.669 79 H LEU 14 H LEU 14 9.560 5.859 -4.908 80 HA LEU 14 HA LEU 14 8.264 6.257 -7.338 81 HB2 LEU 14 1HB LEU 14 10.628 6.371 -7.260 82 HB3 LEU 14 2HB LEU 14 10.754 4.731 -6.626 83 HG LEU 14 HG LEU 14 9.932 3.888 -8.821 84 HD11 LEU 14 1HD1 LEU 14 10.566 6.086 -10.460 85 HD12 LEU 14 2HD1 LEU 14 9.434 6.668 -9.240 86 HD13 LEU 14 3HD1 LEU 14 9.002 5.294 -10.257 87 HD21 LEU 14 1HD2 LEU 14 12.110 4.859 -10.042 88 HD22 LEU 14 2HD2 LEU 14 12.177 3.620 -8.789 89 HD23 LEU 14 3HD2 LEU 14 12.485 5.307 -8.378 90 H TRP 15 H TRP 15 8.871 3.263 -5.552 91 HA TRP 15 HA TRP 15 8.022 1.410 -7.424 92 HB2 TRP 15 1HB TRP 15 9.053 0.910 -5.188 93 HB3 TRP 15 2HB TRP 15 7.488 1.244 -4.452 94 HD1 TRP 15 HD TRP 15 8.968 -1.174 -7.106 95 HE1 TRP 15 1HE TRP 15 7.701 -3.407 -6.932 96 HE3 TRP 15 3HE TRP 15 5.556 0.107 -3.521 97 HZ2 TRP 15 2HZ TRP 15 5.540 -4.483 -5.468 98 HZ3 TRP 15 3HZ TRP 15 3.923 -1.581 -2.790 99 HH2 TRP 15 HH TRP 15 3.917 -3.829 -3.745 100 H CYS 16 H CYS 16 6.023 2.783 -4.802 101 HA CYS 16 HA CYS 16 3.593 1.727 -5.683 102 HB2 CYS 16 1HB CYS 16 4.167 4.218 -4.070 103 HB3 CYS 16 2HB CYS 16 2.556 3.548 -4.301 104 HG CYS 16 HG CYS 16 3.379 1.034 -3.118 105 H GLN 17 H GLN 17 5.320 4.618 -6.628 106 HA GLN 17 HA GLN 17 3.192 5.883 -8.002 107 HB2 GLN 17 1HB GLN 17 6.177 6.151 -8.041 108 HB3 GLN 17 2HB GLN 17 5.209 6.989 -9.246 109 HG2 GLN 17 1HG GLN 17 3.895 7.944 -7.287 110 HG3 GLN 17 2HG GLN 17 5.208 7.352 -6.271 111 HE21 GLN 17 1HE2 GLN 17 5.446 9.625 -5.730 112 HE22 GLN 17 2HE2 GLN 17 6.384 10.642 -6.764 113 H MET 18 H MET 18 5.559 3.465 -8.921 114 HA MET 18 HA MET 18 5.051 3.592 -11.722 115 HB2 MET 18 1HB MET 18 6.382 1.565 -9.940 116 HB3 MET 18 2HB MET 18 6.156 1.270 -11.659 117 HG2 MET 18 1HG MET 18 7.343 3.517 -11.998 118 HG3 MET 18 2HG MET 18 7.841 3.347 -10.317 119 HE1 MET 18 1HE MET 18 9.179 1.863 -9.357 120 HE2 MET 18 2HE MET 18 9.139 0.195 -9.928 121 HE3 MET 18 3HE MET 18 10.595 1.168 -10.147 122 H LYS 19 H LYS 19 3.775 1.663 -9.063 123 HA LYS 19 HA LYS 19 2.174 0.000 -10.782 124 HB2 LYS 19 1HB LYS 19 1.879 0.346 -7.799 125 HB3 LYS 19 2HB LYS 19 1.369 -1.024 -8.778 126 HG2 LYS 19 1HG LYS 19 4.219 -0.192 -8.274 127 HG3 LYS 19 2HG LYS 19 3.375 -1.526 -7.484 128 HD2 LYS 19 1HD LYS 19 2.967 -2.393 -9.879 129 HD3 LYS 19 2HD LYS 19 4.251 -1.274 -10.342 130 HE2 LYS 19 1HE LYS 19 5.198 -3.457 -9.959 131 HE3 LYS 19 2HE LYS 19 5.738 -2.358 -8.690 132 HZ1 LYS 19 1HZ LYS 19 3.390 -3.537 -7.796 133 HZ2 LYS 19 2HZ LYS 19 4.958 -3.794 -7.219 134 HZ3 LYS 19 3HZ LYS 19 4.332 -4.787 -8.436 135 H THR 20 H THR 20 1.302 2.310 -8.203 136 HA THR 20 HA THR 20 -1.402 2.487 -8.768 137 HB THR 20 HB THR 20 -1.395 4.643 -7.604 138 HG1 THR 20 1HG THR 20 1.327 4.511 -8.238 139 HG21 THR 20 1HG2 THR 20 0.614 2.953 -6.160 140 HG22 THR 20 2HG2 THR 20 -1.020 2.352 -6.439 141 HG23 THR 20 3HG2 THR 20 -0.771 3.834 -5.516 142 H ALA 21 H ALA 21 1.257 3.726 -10.541 143 HA ALA 21 HA ALA 21 0.478 5.979 -11.785 144 HB1 ALA 21 1HB ALA 21 2.381 4.114 -12.293 145 HB2 ALA 21 2HB ALA 21 1.350 3.945 -13.713 146 HB3 ALA 21 3HB ALA 21 2.054 5.513 -13.317 147 H GLY 22 H GLY 22 -0.385 2.781 -13.132 148 HA2 GLY 22 1HA GLY 22 -2.059 3.403 -15.126 149 HA3 GLY 22 2HA GLY 22 -2.418 2.086 -14.019 150 H TYR 23 H TYR 23 -3.079 3.370 -11.716 151 HA TYR 23 HA TYR 23 -5.734 4.184 -12.229 152 HB2 TYR 23 1HB TYR 23 -4.045 4.396 -9.731 153 HB3 TYR 23 2HB TYR 23 -5.768 4.753 -9.788 154 HD1 TYR 23 1HD TYR 23 -7.355 2.884 -10.474 155 HD2 TYR 23 2HD TYR 23 -3.286 2.195 -9.439 156 HE1 TYR 23 1HE TYR 23 -7.865 0.512 -10.077 157 HE2 TYR 23 2HE TYR 23 -3.785 -0.181 -9.040 158 HH TYR 23 HH TYR 23 -6.231 -1.758 -10.152 159 HA PRO 24 HA PRO 24 -4.735 8.422 -13.267 160 HB2 PRO 24 1HB PRO 24 -7.281 9.128 -13.888 161 HB3 PRO 24 2HB PRO 24 -6.244 8.209 -14.986 162 HG2 PRO 24 1HG PRO 24 -8.396 7.230 -13.148 163 HG3 PRO 24 2HG PRO 24 -8.050 6.753 -14.821 164 HD2 PRO 24 1HD PRO 24 -7.283 5.265 -12.694 165 HD3 PRO 24 2HD PRO 24 -6.343 5.337 -14.197 166 H ASN 25 H ASN 25 -7.367 7.405 -11.132 167 HA ASN 25 HA ASN 25 -7.475 10.010 -9.856 168 HB2 ASN 25 1HB ASN 25 -9.073 7.491 -9.694 169 HB3 ASN 25 2HB ASN 25 -9.123 8.605 -8.331 170 HD21 ASN 25 1HD2 ASN 25 -11.195 7.821 -10.255 171 HD22 ASN 25 2HD2 ASN 25 -11.757 9.295 -10.960 172 H VAL 26 H VAL 26 -5.079 8.193 -9.716 173 HA VAL 26 HA VAL 26 -4.765 8.324 -6.802 174 HB VAL 26 HB VAL 26 -3.939 5.955 -8.485 175 HG11 VAL 26 1HG1 VAL 26 -2.319 6.500 -6.719 176 HG12 VAL 26 2HG1 VAL 26 -3.615 6.424 -5.523 177 HG13 VAL 26 3HG1 VAL 26 -3.147 4.973 -6.411 178 HG21 VAL 26 1HG2 VAL 26 -6.411 6.303 -7.763 179 HG22 VAL 26 2HG2 VAL 26 -5.650 4.731 -7.524 180 HG23 VAL 26 3HG2 VAL 26 -5.822 5.843 -6.166 181 H ASN 27 H ASN 27 -3.107 9.615 -6.391 182 HA ASN 27 HA ASN 27 -0.746 9.482 -8.142 183 HB2 ASN 27 1HB ASN 27 -1.577 12.056 -6.834 184 HB3 ASN 27 2HB ASN 27 -0.526 11.810 -8.226 185 HD21 ASN 27 1HD2 ASN 27 -3.045 13.394 -7.719 186 HD22 ASN 27 2HD2 ASN 27 -4.083 12.966 -9.033 187 H VAL 28 H VAL 28 0.701 8.455 -6.900 188 HA VAL 28 HA VAL 28 0.840 8.923 -4.046 189 HB VAL 28 HB VAL 28 2.668 7.248 -5.770 190 HG11 VAL 28 1HG1 VAL 28 2.845 8.036 -3.073 191 HG12 VAL 28 2HG1 VAL 28 2.366 6.337 -3.076 192 HG13 VAL 28 3HG1 VAL 28 3.829 6.844 -3.922 193 HG21 VAL 28 1HG2 VAL 28 0.048 6.775 -5.545 194 HG22 VAL 28 2HG2 VAL 28 1.247 5.484 -5.620 195 HG23 VAL 28 3HG2 VAL 28 0.600 5.998 -4.061 196 H HIS 29 H HIS 29 1.384 11.197 -4.171 197 HA HIS 29 HA HIS 29 4.101 11.785 -5.094 198 HB2 HIS 29 1HB HIS 29 2.033 13.222 -5.685 199 HB3 HIS 29 2HB HIS 29 2.154 13.818 -4.032 200 HD1 HIS 29 1HD HIS 29 4.074 13.768 -7.278 201 HD2 HIS 29 2HD HIS 29 4.103 15.715 -3.608 202 HE1 HIS 29 1HE HIS 29 5.740 15.636 -7.522 203 HE2 HIS 29 2HE HIS 29 5.803 16.747 -5.262 204 H ASN 30 H ASN 30 2.120 11.647 -2.214 205 HA ASN 30 HA ASN 30 4.523 12.209 -0.605 206 HB2 ASN 30 1HB ASN 30 2.613 12.862 1.144 207 HB3 ASN 30 2HB ASN 30 3.283 14.031 0.010 208 HD21 ASN 30 1HD2 ASN 30 0.720 11.593 0.228 209 HD22 ASN 30 2HD2 ASN 30 -0.461 12.511 -0.636 210 H PHE 31 H PHE 31 3.903 11.446 1.817 211 HA PHE 31 HA PHE 31 2.897 8.687 1.574 212 HB2 PHE 31 1HB PHE 31 5.369 9.747 2.876 213 HB3 PHE 31 2HB PHE 31 4.573 8.349 3.591 214 HD1 PHE 31 2HD PHE 31 3.711 6.739 1.420 215 HD2 PHE 31 1HD PHE 31 7.241 9.096 1.732 216 HE1 PHE 31 2HE PHE 31 4.830 5.272 -0.207 217 HE2 PHE 31 1HE PHE 31 8.366 7.633 0.104 218 HZ PHE 31 HZ PHE 31 7.160 5.718 -0.867 219 H THR 32 H THR 32 1.586 11.224 2.423 220 HA THR 32 HA THR 32 0.681 10.288 5.060 221 HB THR 32 HB THR 32 0.268 12.804 5.545 222 HG1 THR 32 1HG THR 32 2.097 12.866 3.386 223 HG21 THR 32 1HG2 THR 32 2.255 11.045 6.254 224 HG22 THR 32 2HG2 THR 32 2.006 12.642 6.959 225 HG23 THR 32 3HG2 THR 32 3.166 12.427 5.649 226 H THR 33 H THR 33 -0.200 12.931 2.836 227 HA THR 33 HA THR 33 -2.999 12.436 3.219 228 HB THR 33 HB THR 33 -3.339 14.233 1.561 229 HG1 THR 33 1HG THR 33 -1.355 15.304 0.830 230 HG21 THR 33 1HG2 THR 33 -2.927 15.826 3.098 231 HG22 THR 33 2HG2 THR 33 -1.209 15.431 3.187 232 HG23 THR 33 3HG2 THR 33 -2.381 14.481 4.101 233 H SER 34 H SER 34 -0.808 10.752 1.526 234 HA SER 34 HA SER 34 -2.444 10.319 -0.853 235 HB2 SER 34 1HB SER 34 0.362 9.718 -0.077 236 HB3 SER 34 2HB SER 34 -0.410 8.606 -1.206 237 HG SER 34 HG SER 34 -0.113 10.045 -2.691 238 H TRP 35 H TRP 35 -1.859 8.953 2.224 239 HA TRP 35 HA TRP 35 -3.342 6.532 1.434 240 HB2 TRP 35 1HB TRP 35 -1.386 6.599 3.725 241 HB3 TRP 35 2HB TRP 35 -2.064 5.196 2.902 242 HD1 TRP 35 HD TRP 35 0.350 8.130 2.109 243 HE1 TRP 35 1HE TRP 35 2.116 7.270 0.446 244 HE3 TRP 35 3HE TRP 35 -1.459 3.404 1.373 245 HZ2 TRP 35 2HZ TRP 35 2.669 4.903 -0.989 246 HZ3 TRP 35 3HZ TRP 35 -0.253 1.906 -0.161 247 HH2 TRP 35 HH TRP 35 1.769 2.642 -1.316 248 H ARG 36 H ARG 36 -4.120 9.225 2.587 249 HA ARG 36 HA ARG 36 -5.014 8.663 5.260 250 HB2 ARG 36 1HB ARG 36 -4.495 10.940 4.739 251 HB3 ARG 36 2HB ARG 36 -5.566 10.927 3.344 252 HG2 ARG 36 1HG ARG 36 -7.370 10.366 5.200 253 HG3 ARG 36 2HG ARG 36 -6.200 11.199 6.226 254 HD2 ARG 36 1HD ARG 36 -7.473 12.974 5.544 255 HD3 ARG 36 2HD ARG 36 -6.249 12.964 4.276 256 HE ARG 36 HE ARG 36 -8.439 11.351 3.520 257 HH11 ARG 36 1HH1 ARG 36 -7.523 14.685 3.930 258 HH12 ARG 36 2HH1 ARG 36 -8.638 15.273 2.742 259 HH21 ARG 36 1HH2 ARG 36 -9.913 12.112 1.955 260 HH22 ARG 36 2HH2 ARG 36 -9.998 13.809 1.620 261 H ASP 37 H ASP 37 -6.519 8.866 2.061 262 HA ASP 37 HA ASP 37 -9.155 8.317 3.015 263 HB2 ASP 37 1HB ASP 37 -9.601 7.884 0.540 264 HB3 ASP 37 2HB ASP 37 -9.032 9.495 0.967 265 H GLY 38 H GLY 38 -6.927 6.367 1.014 266 HA2 GLY 38 1HA GLY 38 -6.653 4.049 2.165 267 HA3 GLY 38 2HA GLY 38 -8.382 3.963 1.867 268 H LEU 39 H LEU 39 -8.361 5.271 -0.670 269 HA LEU 39 HA LEU 39 -8.309 3.304 -2.473 270 HB2 LEU 39 1HB LEU 39 -7.345 6.127 -2.859 271 HB3 LEU 39 2HB LEU 39 -7.585 5.004 -4.194 272 HG LEU 39 HG LEU 39 -9.725 5.993 -2.309 273 HD11 LEU 39 1HD1 LEU 39 -8.794 7.647 -3.962 274 HD12 LEU 39 2HD1 LEU 39 -10.521 7.320 -4.100 275 HD13 LEU 39 3HD1 LEU 39 -9.391 6.587 -5.239 276 HD21 LEU 39 1HD2 LEU 39 -10.188 3.735 -3.058 277 HD22 LEU 39 2HD2 LEU 39 -9.882 4.202 -4.731 278 HD23 LEU 39 3HD2 LEU 39 -11.266 4.873 -3.867 279 H ALA 40 H ALA 40 -5.436 5.372 -2.006 280 HA ALA 40 HA ALA 40 -3.578 4.242 -3.543 281 HB1 ALA 40 1HB ALA 40 -2.463 5.753 -2.336 282 HB2 ALA 40 2HB ALA 40 -3.500 5.520 -0.928 283 HB3 ALA 40 3HB ALA 40 -2.140 4.434 -1.211 284 H PHE 41 H PHE 41 -4.260 2.970 -0.277 285 HA PHE 41 HA PHE 41 -2.657 0.682 -0.519 286 HB2 PHE 41 1HB PHE 41 -4.988 1.383 1.250 287 HB3 PHE 41 2HB PHE 41 -4.222 -0.200 1.340 288 HD1 PHE 41 1HD PHE 41 -1.492 0.067 1.335 289 HD2 PHE 41 2HD PHE 41 -4.324 2.852 2.866 290 HE1 PHE 41 1HE PHE 41 0.226 0.983 2.838 291 HE2 PHE 41 2HE PHE 41 -2.610 3.773 4.371 292 HZ PHE 41 HZ PHE 41 -0.331 2.839 4.358 293 H ASN 42 H ASN 42 -6.103 1.189 -1.157 294 HA ASN 42 HA ASN 42 -6.603 -1.534 -1.862 295 HB2 ASN 42 1HB ASN 42 -8.215 0.961 -2.445 296 HB3 ASN 42 2HB ASN 42 -8.785 -0.693 -2.654 297 HD21 ASN 42 1HD2 ASN 42 -8.674 1.908 -0.601 298 HD22 ASN 42 2HD2 ASN 42 -9.105 1.113 0.871 299 H ALA 43 H ALA 43 -4.730 0.635 -3.355 300 HA ALA 43 HA ALA 43 -5.579 -0.029 -6.080 301 HB1 ALA 43 1HB ALA 43 -4.527 2.300 -4.924 302 HB2 ALA 43 2HB ALA 43 -3.273 1.671 -5.993 303 HB3 ALA 43 3HB ALA 43 -4.884 2.005 -6.627 304 H ILE 44 H ILE 44 -2.898 -0.401 -3.834 305 HA ILE 44 HA ILE 44 -1.061 -1.537 -5.660 306 HB ILE 44 HB ILE 44 -1.233 -1.897 -2.666 307 HG12 ILE 44 1HG1 ILE 44 0.608 -0.066 -4.199 308 HG13 ILE 44 2HG1 ILE 44 -0.971 0.461 -3.626 309 HG21 ILE 44 1HG2 ILE 44 0.618 -2.923 -4.700 310 HG22 ILE 44 2HG2 ILE 44 1.386 -2.174 -3.301 311 HG23 ILE 44 3HG2 ILE 44 0.268 -3.519 -3.078 312 HD11 ILE 44 1HD1 ILE 44 -0.344 0.298 -1.393 313 HD12 ILE 44 2HD1 ILE 44 1.043 -0.729 -1.760 314 HD13 ILE 44 3HD1 ILE 44 1.072 0.982 -2.190 315 H VAL 45 H VAL 45 -3.248 -3.035 -3.281 316 HA VAL 45 HA VAL 45 -2.614 -5.702 -3.913 317 HB VAL 45 HB VAL 45 -5.195 -4.604 -2.789 318 HG11 VAL 45 1HG1 VAL 45 -5.972 -6.684 -2.649 319 HG12 VAL 45 2HG1 VAL 45 -4.648 -7.171 -3.710 320 HG13 VAL 45 3HG1 VAL 45 -4.460 -7.271 -1.958 321 HG21 VAL 45 1HG2 VAL 45 -3.654 -3.967 -1.213 322 HG22 VAL 45 2HG2 VAL 45 -4.029 -5.596 -0.651 323 HG23 VAL 45 3HG2 VAL 45 -2.560 -5.300 -1.582 324 H HIS 46 H HIS 46 -5.573 -3.897 -4.772 325 HA HIS 46 HA HIS 46 -6.876 -5.552 -6.399 326 HB2 HIS 46 1HB HIS 46 -7.356 -3.084 -5.983 327 HB3 HIS 46 2HB HIS 46 -6.281 -2.746 -7.337 328 HD1 HIS 46 1HD HIS 46 -7.822 -2.025 -9.146 329 HD2 HIS 46 2HD HIS 46 -9.159 -5.461 -7.231 330 HE1 HIS 46 1HE HIS 46 -9.838 -2.778 -10.447 331 HE2 HIS 46 2HE HIS 46 -10.680 -4.810 -9.220 332 H LYS 47 H LYS 47 -4.276 -3.465 -7.674 333 HA LYS 47 HA LYS 47 -4.108 -4.418 -10.227 334 HB2 LYS 47 1HB LYS 47 -2.660 -2.660 -8.826 335 HB3 LYS 47 2HB LYS 47 -1.520 -3.998 -8.821 336 HG2 LYS 47 1HG LYS 47 -0.844 -2.956 -10.716 337 HG3 LYS 47 2HG LYS 47 -2.085 -4.004 -11.408 338 HD2 LYS 47 1HD LYS 47 -2.758 -2.036 -12.324 339 HD3 LYS 47 2HD LYS 47 -3.620 -1.914 -10.788 340 HE2 LYS 47 1HE LYS 47 -1.992 -0.462 -9.882 341 HE3 LYS 47 2HE LYS 47 -0.851 -0.809 -11.180 342 HZ1 LYS 47 1HZ LYS 47 -3.344 0.781 -11.330 343 HZ2 LYS 47 2HZ LYS 47 -2.540 0.226 -12.710 344 HZ3 LYS 47 3HZ LYS 47 -1.763 1.290 -11.649 345 H HIS 48 H HIS 48 -2.454 -5.766 -7.381 346 HA HIS 48 HA HIS 48 -1.207 -7.893 -8.762 347 HB2 HIS 48 1HB HIS 48 -1.958 -7.749 -5.835 348 HB3 HIS 48 2HB HIS 48 -0.770 -8.834 -6.553 349 HD1 HIS 48 1HD HIS 48 0.836 -6.885 -8.259 350 HD2 HIS 48 2HD HIS 48 -0.411 -6.057 -4.384 351 HE1 HIS 48 1HE HIS 48 2.410 -5.117 -7.411 352 HE2 HIS 48 2HE HIS 48 1.689 -4.693 -5.035 353 H ARG 49 H ARG 49 -4.104 -7.850 -6.684 354 HA ARG 49 HA ARG 49 -5.109 -10.165 -8.190 355 HB2 ARG 49 1HB ARG 49 -5.321 -9.833 -5.193 356 HB3 ARG 49 2HB ARG 49 -5.953 -11.172 -6.140 357 HG2 ARG 49 1HG ARG 49 -3.029 -10.499 -6.066 358 HG3 ARG 49 2HG ARG 49 -3.790 -11.571 -4.889 359 HD2 ARG 49 1HD ARG 49 -4.178 -12.051 -7.814 360 HD3 ARG 49 2HD ARG 49 -2.678 -12.554 -7.035 361 HE ARG 49 HE ARG 49 -5.056 -13.442 -5.681 362 HH11 ARG 49 1HH1 ARG 49 -2.733 -14.154 -8.174 363 HH12 ARG 49 2HH1 ARG 49 -3.025 -15.861 -8.139 364 HH21 ARG 49 1HH2 ARG 49 -5.448 -15.689 -5.625 365 HH22 ARG 49 2HH2 ARG 49 -4.570 -16.733 -6.689 366 HA PRO 50 HA PRO 50 -8.310 -6.914 -8.314 367 HB2 PRO 50 1HB PRO 50 -9.340 -7.735 -10.688 368 HB3 PRO 50 2HB PRO 50 -7.924 -6.684 -10.566 369 HG2 PRO 50 1HG PRO 50 -8.055 -9.640 -11.024 370 HG3 PRO 50 2HG PRO 50 -7.027 -8.429 -11.814 371 HD2 PRO 50 1HD PRO 50 -6.126 -10.034 -9.828 372 HD3 PRO 50 2HD PRO 50 -5.526 -8.380 -10.066 373 H ASP 51 H ASP 51 -8.301 -10.147 -7.700 374 HA ASP 51 HA ASP 51 -11.170 -10.570 -7.945 375 HB2 ASP 51 1HB ASP 51 -8.860 -12.323 -7.138 376 HB3 ASP 51 2HB ASP 51 -10.528 -12.827 -6.875 377 H LEU 52 H LEU 52 -8.719 -10.169 -5.440 378 HA LEU 52 HA LEU 52 -10.247 -10.745 -3.193 379 HB2 LEU 52 1HB LEU 52 -8.143 -8.599 -3.403 380 HB3 LEU 52 2HB LEU 52 -8.667 -9.427 -1.937 381 HG LEU 52 HG LEU 52 -7.154 -10.665 -4.237 382 HD11 LEU 52 1HD1 LEU 52 -5.436 -9.670 -3.195 383 HD12 LEU 52 2HD1 LEU 52 -5.629 -10.967 -2.016 384 HD13 LEU 52 3HD1 LEU 52 -6.358 -9.389 -1.718 385 HD21 LEU 52 1HD2 LEU 52 -7.176 -12.232 -1.852 386 HD22 LEU 52 2HD2 LEU 52 -7.752 -12.657 -3.465 387 HD23 LEU 52 3HD2 LEU 52 -8.838 -11.869 -2.319 388 H LEU 53 H LEU 53 -9.564 -7.487 -4.484 389 HA LEU 53 HA LEU 53 -12.182 -6.635 -3.429 390 HB2 LEU 53 1HB LEU 53 -11.251 -4.461 -2.956 391 HB3 LEU 53 2HB LEU 53 -10.324 -5.709 -2.126 392 HG LEU 53 HG LEU 53 -9.414 -4.524 -4.734 393 HD11 LEU 53 1HD1 LEU 53 -9.234 -3.407 -1.983 394 HD12 LEU 53 2HD1 LEU 53 -9.415 -2.581 -3.531 395 HD13 LEU 53 3HD1 LEU 53 -7.847 -3.237 -3.060 396 HD21 LEU 53 1HD2 LEU 53 -7.204 -5.172 -3.368 397 HD22 LEU 53 2HD2 LEU 53 -8.051 -6.303 -4.426 398 HD23 LEU 53 3HD2 LEU 53 -8.324 -6.350 -2.683 399 H ASP 54 H ASP 54 -12.927 -4.544 -4.521 400 HA ASP 54 HA ASP 54 -12.239 -4.588 -7.382 401 HB2 ASP 54 1HB ASP 54 -15.036 -4.135 -6.346 402 HB3 ASP 54 2HB ASP 54 -14.531 -4.409 -8.010 403 H PHE 55 H PHE 55 -11.005 -2.752 -7.360 404 HA PHE 55 HA PHE 55 -11.278 -0.440 -5.962 405 HB2 PHE 55 1HB PHE 55 -9.609 -1.171 -7.887 406 HB3 PHE 55 2HB PHE 55 -10.669 -0.169 -8.872 407 HD1 PHE 55 1HD PHE 55 -8.670 -0.096 -5.738 408 HD2 PHE 55 2HD PHE 55 -10.328 2.117 -8.973 409 HE1 PHE 55 1HE PHE 55 -7.469 1.912 -4.976 410 HE2 PHE 55 2HE PHE 55 -9.130 4.128 -8.217 411 HZ PHE 55 HZ PHE 55 -7.697 4.027 -6.217 412 H GLU 56 H GLU 56 -13.002 -1.292 -8.936 413 HA GLU 56 HA GLU 56 -14.342 1.144 -9.301 414 HB2 GLU 56 1HB GLU 56 -15.115 -1.668 -10.088 415 HB3 GLU 56 2HB GLU 56 -15.988 -0.234 -10.612 416 HG2 GLU 56 1HG GLU 56 -13.052 -0.483 -11.104 417 HG3 GLU 56 2HG GLU 56 -14.212 -1.280 -12.165 418 H SER 57 H SER 57 -15.048 -1.628 -7.278 419 HA SER 57 HA SER 57 -17.710 -0.840 -6.617 420 HB2 SER 57 1HB SER 57 -16.945 -3.179 -6.427 421 HB3 SER 57 2HB SER 57 -15.833 -2.704 -5.142 422 HG SER 57 HG SER 57 -18.162 -3.542 -4.711 423 H LEU 58 H LEU 58 -14.563 -0.505 -5.025 424 HA LEU 58 HA LEU 58 -15.280 0.540 -2.600 425 HB2 LEU 58 1HB LEU 58 -13.013 1.534 -4.319 426 HB3 LEU 58 2HB LEU 58 -13.145 1.692 -2.569 427 HG LEU 58 HG LEU 58 -12.847 -0.911 -4.068 428 HD11 LEU 58 1HD1 LEU 58 -10.799 0.362 -2.289 429 HD12 LEU 58 2HD1 LEU 58 -10.871 0.722 -4.014 430 HD13 LEU 58 3HD1 LEU 58 -10.596 -0.932 -3.470 431 HD21 LEU 58 1HD2 LEU 58 -12.154 -1.165 -1.362 432 HD22 LEU 58 2HD2 LEU 58 -13.547 -1.864 -2.190 433 HD23 LEU 58 3HD2 LEU 58 -13.688 -0.296 -1.394 434 H LYS 59 H LYS 59 -15.548 2.655 -1.770 435 HA LYS 59 HA LYS 59 -16.418 4.647 -3.760 436 HB2 LYS 59 1HB LYS 59 -17.676 3.941 -1.108 437 HB3 LYS 59 2HB LYS 59 -18.068 5.405 -2.000 438 HG2 LYS 59 1HG LYS 59 -18.309 2.716 -3.290 439 HG3 LYS 59 2HG LYS 59 -19.590 3.349 -2.253 440 HD2 LYS 59 1HD LYS 59 -19.700 5.365 -3.677 441 HD3 LYS 59 2HD LYS 59 -18.480 4.656 -4.737 442 HE2 LYS 59 1HE LYS 59 -20.599 4.240 -5.730 443 HE3 LYS 59 2HE LYS 59 -20.032 2.711 -5.058 444 HZ1 LYS 59 1HZ LYS 59 -21.605 4.245 -3.211 445 HZ2 LYS 59 2HZ LYS 59 -21.747 2.621 -3.660 446 HZ3 LYS 59 3HZ LYS 59 -22.462 3.825 -4.609 447 H LYS 60 H LYS 60 -15.728 6.710 -3.492 448 HA LYS 60 HA LYS 60 -13.525 7.178 -1.745 449 HB2 LYS 60 1HB LYS 60 -15.107 9.009 -3.551 450 HB3 LYS 60 2HB LYS 60 -13.702 9.535 -2.633 451 HG2 LYS 60 1HG LYS 60 -12.480 7.599 -3.815 452 HG3 LYS 60 2HG LYS 60 -13.843 7.634 -4.937 453 HD2 LYS 60 1HD LYS 60 -12.423 10.175 -4.263 454 HD3 LYS 60 2HD LYS 60 -11.698 9.054 -5.418 455 HE2 LYS 60 1HE LYS 60 -14.562 9.820 -5.737 456 HE3 LYS 60 2HE LYS 60 -13.312 10.965 -6.219 457 HZ1 LYS 60 1HZ LYS 60 -14.284 9.022 -7.792 458 HZ2 LYS 60 2HZ LYS 60 -12.904 8.268 -7.170 459 HZ3 LYS 60 3HZ LYS 60 -12.766 9.739 -7.993 460 H CYS 61 H CYS 61 -16.884 8.308 -1.829 461 HA CYS 61 HA CYS 61 -17.011 10.183 0.091 462 HB2 CYS 61 1HB CYS 61 -18.854 7.857 -0.415 463 HB3 CYS 61 2HB CYS 61 -19.222 9.065 0.811 464 HG CYS 61 HG CYS 61 -18.881 11.138 -1.293 465 H ASN 62 H ASN 62 -16.956 6.686 0.757 466 HA ASN 62 HA ASN 62 -16.447 7.268 3.584 467 HB2 ASN 62 1HB ASN 62 -18.233 5.575 2.678 468 HB3 ASN 62 2HB ASN 62 -16.848 4.499 2.510 469 HD21 ASN 62 1HD2 ASN 62 -15.462 4.330 4.495 470 HD22 ASN 62 2HD2 ASN 62 -16.279 4.240 6.013 471 H ALA 63 H ALA 63 -14.415 7.305 4.255 472 HA ALA 63 HA ALA 63 -12.333 6.032 2.665 473 HB1 ALA 63 1HB ALA 63 -10.811 7.415 3.718 474 HB2 ALA 63 2HB ALA 63 -12.262 8.418 3.682 475 HB3 ALA 63 3HB ALA 63 -11.805 7.581 5.166 476 H HIS 64 H HIS 64 -13.109 6.194 6.148 477 HA HIS 64 HA HIS 64 -11.524 4.346 7.232 478 HB2 HIS 64 1HB HIS 64 -13.409 5.545 8.386 479 HB3 HIS 64 2HB HIS 64 -14.502 4.320 7.748 480 HD1 HIS 64 1HD HIS 64 -13.102 1.750 8.321 481 HD2 HIS 64 2HD HIS 64 -13.073 4.932 10.992 482 HE1 HIS 64 1HE HIS 64 -12.618 0.734 10.571 483 HE2 HIS 64 2HE HIS 64 -12.691 2.668 12.184 484 H TYR 65 H TYR 65 -14.663 3.404 5.816 485 HA TYR 65 HA TYR 65 -14.405 0.675 5.972 486 HB2 TYR 65 1HB TYR 65 -16.492 1.463 5.255 487 HB3 TYR 65 2HB TYR 65 -15.788 2.447 3.977 488 HD1 TYR 65 1HD TYR 65 -16.791 -0.948 4.954 489 HD2 TYR 65 2HD TYR 65 -15.231 1.486 1.833 490 HE1 TYR 65 1HE TYR 65 -17.218 -2.754 3.341 491 HE2 TYR 65 2HE TYR 65 -15.655 -0.312 0.210 492 HH TYR 65 HH TYR 65 -15.870 -3.077 0.543 493 H ASN 66 H ASN 66 -13.264 2.799 3.365 494 HA ASN 66 HA ASN 66 -12.248 0.785 1.695 495 HB2 ASN 66 1HB ASN 66 -11.854 3.722 1.965 496 HB3 ASN 66 2HB ASN 66 -10.651 2.828 1.040 497 HD21 ASN 66 1HD2 ASN 66 -11.708 4.452 -0.522 498 HD22 ASN 66 2HD2 ASN 66 -13.003 3.821 -1.477 499 H LEU 67 H LEU 67 -10.832 2.516 4.412 500 HA LEU 67 HA LEU 67 -8.181 1.584 4.057 501 HB2 LEU 67 1HB LEU 67 -9.712 2.810 6.305 502 HB3 LEU 67 2HB LEU 67 -8.128 2.105 6.622 503 HG LEU 67 HG LEU 67 -8.521 4.193 4.499 504 HD11 LEU 67 1HD1 LEU 67 -7.623 5.761 6.319 505 HD12 LEU 67 2HD1 LEU 67 -8.215 4.554 7.459 506 HD13 LEU 67 3HD1 LEU 67 -9.336 5.346 6.352 507 HD21 LEU 67 1HD2 LEU 67 -6.307 2.699 5.615 508 HD22 LEU 67 2HD2 LEU 67 -6.047 4.440 5.732 509 HD23 LEU 67 3HD2 LEU 67 -6.377 3.699 4.165 510 H GLN 68 H GLN 68 -10.436 0.696 6.672 511 HA GLN 68 HA GLN 68 -9.145 -1.504 7.636 512 HB2 GLN 68 1HB GLN 68 -11.311 -2.311 8.433 513 HB3 GLN 68 2HB GLN 68 -11.168 -0.573 8.655 514 HG2 GLN 68 1HG GLN 68 -13.283 -0.705 7.831 515 HG3 GLN 68 2HG GLN 68 -12.379 -0.496 6.332 516 HE21 GLN 68 1HE2 GLN 68 -14.900 -1.580 6.340 517 HE22 GLN 68 2HE2 GLN 68 -14.812 -3.251 5.913 518 H ASN 69 H ASN 69 -11.374 -1.397 4.884 519 HA ASN 69 HA ASN 69 -11.604 -4.085 4.323 520 HB2 ASN 69 1HB ASN 69 -12.864 -2.379 3.114 521 HB3 ASN 69 2HB ASN 69 -11.385 -1.793 2.359 522 HD21 ASN 69 1HD2 ASN 69 -10.865 -2.592 0.450 523 HD22 ASN 69 2HD2 ASN 69 -11.529 -4.020 -0.262 524 H ALA 70 H ALA 70 -9.003 -1.867 3.415 525 HA ALA 70 HA ALA 70 -7.563 -3.816 1.894 526 HB1 ALA 70 1HB ALA 70 -7.470 -1.091 2.093 527 HB2 ALA 70 2HB ALA 70 -6.002 -1.579 2.943 528 HB3 ALA 70 3HB ALA 70 -6.271 -2.096 1.278 529 H PHE 71 H PHE 71 -7.058 -2.341 5.098 530 HA PHE 71 HA PHE 71 -4.774 -3.730 5.831 531 HB2 PHE 71 1HB PHE 71 -7.060 -2.704 7.520 532 HB3 PHE 71 2HB PHE 71 -5.568 -3.349 8.200 533 HD1 PHE 71 2HD PHE 71 -3.509 -2.254 6.490 534 HD2 PHE 71 1HD PHE 71 -7.080 -0.439 7.930 535 HE1 PHE 71 2HE PHE 71 -2.461 -0.038 6.289 536 HE2 PHE 71 1HE PHE 71 -6.037 1.780 7.730 537 HZ PHE 71 HZ PHE 71 -3.724 1.983 6.910 538 H ASN 72 H ASN 72 -8.148 -4.711 5.982 539 HA ASN 72 HA ASN 72 -7.691 -7.090 7.482 540 HB2 ASN 72 1HB ASN 72 -9.993 -6.163 5.762 541 HB3 ASN 72 2HB ASN 72 -10.001 -7.704 6.615 542 HD21 ASN 72 1HD2 ASN 72 -10.971 -4.589 6.779 543 HD22 ASN 72 2HD2 ASN 72 -11.127 -4.416 8.492 544 H LEU 73 H LEU 73 -8.193 -6.443 4.022 545 HA LEU 73 HA LEU 73 -8.041 -9.082 3.120 546 HB2 LEU 73 1HB LEU 73 -7.575 -6.411 1.889 547 HB3 LEU 73 2HB LEU 73 -7.083 -7.849 0.996 548 HG LEU 73 HG LEU 73 -9.879 -7.212 1.937 549 HD11 LEU 73 1HD1 LEU 73 -9.268 -5.797 0.104 550 HD12 LEU 73 2HD1 LEU 73 -10.332 -7.065 -0.502 551 HD13 LEU 73 3HD1 LEU 73 -8.595 -7.161 -0.788 552 HD21 LEU 73 1HD2 LEU 73 -10.370 -9.352 1.635 553 HD22 LEU 73 2HD2 LEU 73 -8.673 -9.697 1.303 554 HD23 LEU 73 3HD2 LEU 73 -9.762 -9.272 -0.018 555 H ALA 74 H ALA 74 -5.475 -6.645 3.457 556 HA ALA 74 HA ALA 74 -3.390 -8.356 2.561 557 HB1 ALA 74 1HB ALA 74 -3.618 -5.650 3.653 558 HB2 ALA 74 2HB ALA 74 -2.118 -6.476 4.075 559 HB3 ALA 74 3HB ALA 74 -2.570 -6.279 2.381 560 H GLU 75 H GLU 75 -5.036 -7.997 5.557 561 HA GLU 75 HA GLU 75 -2.909 -9.272 7.087 562 HB2 GLU 75 1HB GLU 75 -4.130 -7.440 8.140 563 HB3 GLU 75 2HB GLU 75 -5.647 -8.300 7.918 564 HG2 GLU 75 1HG GLU 75 -3.428 -9.541 9.484 565 HG3 GLU 75 2HG GLU 75 -4.483 -8.337 10.224 566 H LYS 76 H LYS 76 -5.787 -10.090 5.408 567 HA LYS 76 HA LYS 76 -5.970 -12.688 6.756 568 HB2 LYS 76 1HB LYS 76 -8.077 -11.530 6.559 569 HB3 LYS 76 2HB LYS 76 -7.832 -11.284 4.835 570 HG2 LYS 76 1HG LYS 76 -9.356 -13.037 4.954 571 HG3 LYS 76 2HG LYS 76 -7.808 -13.834 4.659 572 HD2 LYS 76 1HD LYS 76 -8.654 -13.423 7.479 573 HD3 LYS 76 2HD LYS 76 -9.477 -14.671 6.541 574 HE2 LYS 76 1HE LYS 76 -6.509 -14.583 6.443 575 HE3 LYS 76 2HE LYS 76 -7.267 -15.169 7.923 576 HZ1 LYS 76 1HZ LYS 76 -7.647 -16.254 5.187 577 HZ2 LYS 76 2HZ LYS 76 -8.523 -16.761 6.543 578 HZ3 LYS 76 3HZ LYS 76 -6.850 -17.008 6.475 579 H GLU 77 H GLU 77 -6.197 -11.494 3.398 580 HA GLU 77 HA GLU 77 -5.617 -13.978 2.212 581 HB2 GLU 77 1HB GLU 77 -5.168 -11.222 1.052 582 HB3 GLU 77 2HB GLU 77 -5.294 -12.724 0.146 583 HG2 GLU 77 1HG GLU 77 -7.487 -11.493 1.799 584 HG3 GLU 77 2HG GLU 77 -7.348 -11.406 0.044 585 H LEU 78 H LEU 78 -3.513 -11.101 2.119 586 HA LEU 78 HA LEU 78 -1.189 -12.536 1.457 587 HB2 LEU 78 1HB LEU 78 -1.243 -9.903 2.908 588 HB3 LEU 78 2HB LEU 78 0.002 -10.518 1.822 589 HG LEU 78 HG LEU 78 -2.786 -9.790 0.936 590 HD11 LEU 78 1HD1 LEU 78 -1.977 -7.695 0.216 591 HD12 LEU 78 2HD1 LEU 78 -0.304 -8.136 0.558 592 HD13 LEU 78 3HD1 LEU 78 -1.436 -7.874 1.885 593 HD21 LEU 78 1HD2 LEU 78 -0.350 -10.831 -0.376 594 HD22 LEU 78 2HD2 LEU 78 -1.243 -9.579 -1.239 595 HD23 LEU 78 3HD2 LEU 78 -2.050 -11.078 -0.775 596 H GLY 79 H GLY 79 -2.354 -11.299 4.581 597 HA2 GLY 79 1HA GLY 79 -2.057 -12.397 6.646 598 HA3 GLY 79 2HA GLY 79 -0.782 -13.365 5.921 599 H LEU 80 H LEU 80 -1.224 -9.842 6.080 600 HA LEU 80 HA LEU 80 1.470 -9.653 7.235 601 HB2 LEU 80 1HB LEU 80 -0.213 -7.582 5.831 602 HB3 LEU 80 2HB LEU 80 1.393 -7.297 6.497 603 HG LEU 80 HG LEU 80 0.944 -9.380 4.387 604 HD11 LEU 80 1HD1 LEU 80 1.289 -6.417 4.014 605 HD12 LEU 80 2HD1 LEU 80 0.023 -7.458 3.364 606 HD13 LEU 80 3HD1 LEU 80 1.675 -7.596 2.761 607 HD21 LEU 80 1HD2 LEU 80 3.256 -9.161 3.995 608 HD22 LEU 80 2HD2 LEU 80 3.076 -9.199 5.749 609 HD23 LEU 80 3HD2 LEU 80 3.353 -7.665 4.923 610 H THR 81 H THR 81 1.830 -8.719 9.177 611 HA THR 81 HA THR 81 -0.320 -8.466 11.004 612 HB THR 81 HB THR 81 2.521 -7.478 11.332 613 HG1 THR 81 1HG THR 81 1.379 -9.962 12.139 614 HG21 THR 81 1HG2 THR 81 1.250 -8.422 13.726 615 HG22 THR 81 2HG2 THR 81 0.261 -7.168 12.980 616 HG23 THR 81 3HG2 THR 81 1.945 -6.838 13.387 617 H LYS 82 H LYS 82 -1.702 -6.836 11.146 618 HA LYS 82 HA LYS 82 -1.405 -4.375 9.819 619 HB2 LYS 82 1HB LYS 82 -3.309 -5.499 11.814 620 HB3 LYS 82 2HB LYS 82 -3.298 -3.754 11.593 621 HG2 LYS 82 1HG LYS 82 -4.042 -3.890 9.413 622 HG3 LYS 82 2HG LYS 82 -3.485 -5.554 9.218 623 HD2 LYS 82 1HD LYS 82 -5.836 -5.684 9.362 624 HD3 LYS 82 2HD LYS 82 -5.237 -6.186 10.945 625 HE2 LYS 82 1HE LYS 82 -5.514 -3.619 11.480 626 HE3 LYS 82 2HE LYS 82 -6.663 -3.695 10.146 627 HZ1 LYS 82 1HZ LYS 82 -7.568 -5.724 11.448 628 HZ2 LYS 82 2HZ LYS 82 -7.983 -4.162 11.949 629 HZ3 LYS 82 3HZ LYS 82 -6.776 -5.021 12.768 630 H LEU 83 H LEU 83 0.228 -3.038 10.311 631 HA LEU 83 HA LEU 83 1.070 -2.651 13.055 632 HB2 LEU 83 1HB LEU 83 2.047 -1.104 10.677 633 HB3 LEU 83 2HB LEU 83 2.885 -1.434 12.192 634 HG LEU 83 HG LEU 83 2.227 -3.573 10.176 635 HD11 LEU 83 1HD1 LEU 83 5.012 -2.817 10.333 636 HD12 LEU 83 2HD1 LEU 83 4.004 -1.478 9.784 637 HD13 LEU 83 3HD1 LEU 83 3.975 -3.016 8.921 638 HD21 LEU 83 1HD2 LEU 83 2.826 -4.857 11.901 639 HD22 LEU 83 2HD2 LEU 83 3.468 -3.489 12.811 640 HD23 LEU 83 3HD2 LEU 83 4.467 -4.288 11.595 641 H LEU 84 H LEU 84 -0.895 -1.052 10.690 642 HA LEU 84 HA LEU 84 -1.234 1.223 12.532 643 HB2 LEU 84 1HB LEU 84 -1.824 1.261 9.585 644 HB3 LEU 84 2HB LEU 84 -1.716 2.632 10.688 645 HG LEU 84 HG LEU 84 0.626 0.905 9.897 646 HD11 LEU 84 1HD1 LEU 84 -0.655 2.483 8.159 647 HD12 LEU 84 2HD1 LEU 84 1.095 2.268 8.157 648 HD13 LEU 84 3HD1 LEU 84 0.383 3.684 8.928 649 HD21 LEU 84 1HD2 LEU 84 0.278 2.712 12.001 650 HD22 LEU 84 2HD2 LEU 84 1.209 3.580 10.781 651 HD23 LEU 84 3HD2 LEU 84 1.796 2.039 11.407 652 H ASP 85 H ASP 85 -3.487 2.355 11.738 653 HA ASP 85 HA ASP 85 -5.536 0.258 11.605 654 HB2 ASP 85 1HB ASP 85 -5.275 2.412 13.689 655 HB3 ASP 85 2HB ASP 85 -6.840 1.701 13.305 656 HA PRO 86 HA PRO 86 -7.551 2.853 8.697 657 HB2 PRO 86 1HB PRO 86 -10.161 2.289 9.186 658 HB3 PRO 86 2HB PRO 86 -9.064 1.150 8.397 659 HG2 PRO 86 1HG PRO 86 -9.950 1.258 11.255 660 HG3 PRO 86 2HG PRO 86 -9.778 -0.149 10.189 661 HD2 PRO 86 1HD PRO 86 -7.916 0.511 12.041 662 HD3 PRO 86 2HD PRO 86 -7.497 -0.265 10.500 663 H GLU 87 H GLU 87 -7.647 3.475 11.959 664 HA GLU 87 HA GLU 87 -9.347 5.855 11.623 665 HB2 GLU 87 1HB GLU 87 -8.496 4.444 14.159 666 HB3 GLU 87 2HB GLU 87 -9.507 5.881 14.086 667 HG2 GLU 87 1HG GLU 87 -11.152 4.559 12.755 668 HG3 GLU 87 2HG GLU 87 -10.172 3.129 13.075 669 H ASP 88 H ASP 88 -6.232 4.714 12.830 670 HA ASP 88 HA ASP 88 -5.292 7.251 13.687 671 HB2 ASP 88 1HB ASP 88 -3.868 4.683 12.980 672 HB3 ASP 88 2HB ASP 88 -3.023 6.115 13.563 673 H VAL 89 H VAL 89 -4.852 5.390 10.700 674 HA VAL 89 HA VAL 89 -3.104 7.201 9.434 675 HB VAL 89 HB VAL 89 -5.046 5.258 8.175 676 HG11 VAL 89 1HG1 VAL 89 -2.694 6.755 7.033 677 HG12 VAL 89 2HG1 VAL 89 -3.463 5.378 6.241 678 HG13 VAL 89 3HG1 VAL 89 -4.381 6.856 6.530 679 HG21 VAL 89 1HG2 VAL 89 -2.947 3.870 7.935 680 HG22 VAL 89 2HG2 VAL 89 -2.184 4.986 9.066 681 HG23 VAL 89 3HG2 VAL 89 -3.578 4.034 9.573 682 H ASN 90 H ASN 90 -6.616 6.734 9.019 683 HA ASN 90 HA ASN 90 -7.022 8.863 7.250 684 HB2 ASN 90 1HB ASN 90 -8.653 7.015 7.765 685 HB3 ASN 90 2HB ASN 90 -9.020 7.842 9.277 686 HD21 ASN 90 1HD2 ASN 90 -11.102 7.452 7.769 687 HD22 ASN 90 2HD2 ASN 90 -11.596 8.882 6.936 688 H VAL 91 H VAL 91 -5.825 10.643 8.004 689 HA VAL 91 HA VAL 91 -7.282 12.321 9.854 690 HB VAL 91 HB VAL 91 -5.705 10.984 11.291 691 HG11 VAL 91 1HG1 VAL 91 -3.782 10.699 10.002 692 HG12 VAL 91 2HG1 VAL 91 -3.706 12.407 9.566 693 HG13 VAL 91 3HG1 VAL 91 -3.304 11.895 11.206 694 HG21 VAL 91 1HG2 VAL 91 -5.766 12.706 12.700 695 HG22 VAL 91 2HG2 VAL 91 -4.652 13.646 11.707 696 HG23 VAL 91 3HG2 VAL 91 -6.381 13.678 11.363 697 H ASP 92 H ASP 92 -6.725 14.527 9.703 698 HA ASP 92 HA ASP 92 -6.225 15.599 7.283 699 HB2 ASP 92 1HB ASP 92 -5.564 16.649 10.022 700 HB3 ASP 92 2HB ASP 92 -5.226 17.606 8.583 701 H GLN 93 H GLN 93 -3.689 15.099 9.739 702 HA GLN 93 HA GLN 93 -1.748 14.811 7.556 703 HB2 GLN 93 1HB GLN 93 -1.525 16.605 9.963 704 HB3 GLN 93 2HB GLN 93 -0.104 16.040 9.095 705 HG2 GLN 93 1HG GLN 93 -2.352 17.472 7.722 706 HG3 GLN 93 2HG GLN 93 -1.012 18.326 8.482 707 HE21 GLN 93 1HE2 GLN 93 -1.633 18.474 5.755 708 HE22 GLN 93 2HE2 GLN 93 -0.330 17.776 4.861 709 HA PRO 94 HA PRO 94 -1.346 11.202 10.314 710 HB2 PRO 94 1HB PRO 94 -0.457 9.548 8.353 711 HB3 PRO 94 2HB PRO 94 -2.172 9.881 8.625 712 HG2 PRO 94 1HG PRO 94 -0.309 11.069 6.606 713 HG3 PRO 94 2HG PRO 94 -1.984 10.523 6.398 714 HD2 PRO 94 1HD PRO 94 -1.329 13.133 6.699 715 HD3 PRO 94 2HD PRO 94 -2.858 12.457 7.297 716 H ASP 95 H ASP 95 0.684 9.440 9.865 717 HA ASP 95 HA ASP 95 3.088 11.131 10.079 718 HB2 ASP 95 1HB ASP 95 2.163 8.754 11.628 719 HB3 ASP 95 2HB ASP 95 3.896 8.963 11.383 720 H GLU 96 H GLU 96 3.873 11.019 8.022 721 HA GLU 96 HA GLU 96 3.813 8.978 6.218 722 HB2 GLU 96 1HB GLU 96 5.870 9.914 5.241 723 HB3 GLU 96 2HB GLU 96 4.717 11.168 5.675 724 HG2 GLU 96 1HG GLU 96 7.044 10.371 7.403 725 HG3 GLU 96 2HG GLU 96 7.094 11.682 6.225 726 H LYS 97 H LYS 97 5.954 9.313 8.980 727 HA LYS 97 HA LYS 97 7.685 7.161 8.299 728 HB2 LYS 97 1HB LYS 97 7.122 8.297 11.043 729 HB3 LYS 97 2HB LYS 97 8.529 7.359 10.563 730 HG2 LYS 97 1HG LYS 97 7.946 9.895 9.121 731 HG3 LYS 97 2HG LYS 97 8.632 9.972 10.746 732 HD2 LYS 97 1HD LYS 97 10.573 9.878 9.565 733 HD3 LYS 97 2HD LYS 97 10.268 8.144 9.701 734 HE2 LYS 97 1HE LYS 97 10.729 8.402 7.446 735 HE3 LYS 97 2HE LYS 97 8.967 8.445 7.485 736 HZ1 LYS 97 1HZ LYS 97 9.616 11.039 7.804 737 HZ2 LYS 97 2HZ LYS 97 9.217 10.322 6.325 738 HZ3 LYS 97 3HZ LYS 97 10.840 10.513 6.761 739 H SER 98 H SER 98 4.668 7.416 10.060 740 HA SER 98 HA SER 98 4.774 4.757 11.130 741 HB2 SER 98 1HB SER 98 2.438 6.666 10.854 742 HB3 SER 98 2HB SER 98 2.433 5.176 11.797 743 HG SER 98 HG SER 98 2.876 6.976 13.113 744 H ILE 99 H ILE 99 3.976 6.102 8.111 745 HA ILE 99 HA ILE 99 2.356 3.781 7.344 746 HB ILE 99 HB ILE 99 2.886 6.351 5.847 747 HG12 ILE 99 1HG1 ILE 99 0.300 5.390 7.075 748 HG13 ILE 99 2HG1 ILE 99 1.424 6.446 7.923 749 HG21 ILE 99 1HG2 ILE 99 0.858 4.250 5.142 750 HG22 ILE 99 2HG2 ILE 99 1.418 5.609 4.168 751 HG23 ILE 99 3HG2 ILE 99 2.491 4.243 4.477 752 HD11 ILE 99 1HD1 ILE 99 1.194 8.022 5.953 753 HD12 ILE 99 2HD1 ILE 99 -0.173 7.024 5.455 754 HD13 ILE 99 3HD1 ILE 99 -0.207 7.854 7.010 755 H ILE 100 H ILE 100 5.001 5.725 5.939 756 HA ILE 100 HA ILE 100 5.825 4.230 3.875 757 HB ILE 100 HB ILE 100 7.634 5.442 5.967 758 HG12 ILE 100 1HG1 ILE 100 7.090 6.589 3.253 759 HG13 ILE 100 2HG1 ILE 100 5.908 6.818 4.537 760 HG21 ILE 100 1HG2 ILE 100 8.366 4.716 3.139 761 HG22 ILE 100 2HG2 ILE 100 9.430 5.300 4.418 762 HG23 ILE 100 3HG2 ILE 100 8.717 3.691 4.529 763 HD11 ILE 100 1HD1 ILE 100 7.418 8.711 4.371 764 HD12 ILE 100 2HD1 ILE 100 7.610 7.884 5.916 765 HD13 ILE 100 3HD1 ILE 100 8.798 7.647 4.636 766 H THR 101 H THR 101 6.272 3.404 7.259 767 HA THR 101 HA THR 101 8.014 1.202 6.838 768 HB THR 101 HB THR 101 6.138 1.643 9.168 769 HG1 THR 101 1HG THR 101 7.591 3.421 8.782 770 HG21 THR 101 1HG2 THR 101 7.053 -0.609 9.096 771 HG22 THR 101 2HG2 THR 101 7.800 0.305 10.406 772 HG23 THR 101 3HG2 THR 101 8.682 0.037 8.903 773 H TYR 102 H TYR 102 4.501 1.472 7.238 774 HA TYR 102 HA TYR 102 3.966 -1.299 7.175 775 HB2 TYR 102 1HB TYR 102 2.328 0.273 8.038 776 HB3 TYR 102 2HB TYR 102 2.202 1.053 6.465 777 HD1 TYR 102 2HD TYR 102 1.299 -0.332 4.519 778 HD2 TYR 102 1HD TYR 102 0.949 -1.542 8.583 779 HE1 TYR 102 2HE TYR 102 -0.525 -1.863 3.901 780 HE2 TYR 102 1HE TYR 102 -0.874 -3.077 7.976 781 HH TYR 102 HH TYR 102 -1.612 -4.308 5.852 782 H VAL 103 H VAL 103 3.355 1.132 4.632 783 HA VAL 103 HA VAL 103 2.708 -0.551 2.566 784 HB VAL 103 HB VAL 103 2.558 1.872 2.361 785 HG11 VAL 103 1HG1 VAL 103 4.515 2.611 3.495 786 HG12 VAL 103 2HG1 VAL 103 5.568 1.759 2.364 787 HG13 VAL 103 3HG1 VAL 103 4.645 3.163 1.826 788 HG21 VAL 103 1HG2 VAL 103 3.586 0.101 0.372 789 HG22 VAL 103 2HG2 VAL 103 2.512 1.487 0.174 790 HG23 VAL 103 3HG2 VAL 103 4.261 1.710 0.114 791 H ALA 104 H ALA 104 5.860 0.101 3.909 792 HA ALA 104 HA ALA 104 7.551 -0.719 1.891 793 HB1 ALA 104 1HB ALA 104 7.984 -1.436 4.780 794 HB2 ALA 104 2HB ALA 104 9.197 -1.090 3.545 795 HB3 ALA 104 3HB ALA 104 8.170 0.206 4.160 796 H THR 105 H THR 105 5.639 -2.676 4.103 797 HA THR 105 HA THR 105 6.806 -5.172 3.524 798 HB THR 105 HB THR 105 5.004 -6.170 4.645 799 HG1 THR 105 1HG THR 105 3.355 -3.891 4.409 800 HG21 THR 105 1HG2 THR 105 6.251 -3.999 5.762 801 HG22 THR 105 2HG2 THR 105 5.223 -5.140 6.629 802 HG23 THR 105 3HG2 THR 105 4.548 -3.629 6.021 803 H TYR 106 H TYR 106 4.101 -3.429 2.052 804 HA TYR 106 HA TYR 106 3.145 -5.414 0.363 805 HB2 TYR 106 1HB TYR 106 3.151 -2.427 0.261 806 HB3 TYR 106 2HB TYR 106 2.615 -3.322 -1.155 807 HD1 TYR 106 1HD TYR 106 2.103 -4.292 2.387 808 HD2 TYR 106 2HD TYR 106 0.319 -2.787 -1.169 809 HE1 TYR 106 1HE TYR 106 -0.122 -4.552 3.401 810 HE2 TYR 106 2HE TYR 106 -1.912 -3.040 -0.164 811 HH TYR 106 HH TYR 106 -2.584 -3.201 2.806 812 H TYR 107 H TYR 107 5.957 -3.360 0.063 813 HA TYR 107 HA TYR 107 6.458 -4.098 -2.682 814 HB2 TYR 107 1HB TYR 107 7.256 -1.962 -2.237 815 HB3 TYR 107 2HB TYR 107 7.857 -2.406 -0.643 816 HD1 TYR 107 2HD TYR 107 8.552 -2.512 -4.254 817 HD2 TYR 107 1HD TYR 107 10.058 -3.327 -0.359 818 HE1 TYR 107 2HE TYR 107 10.809 -2.788 -5.191 819 HE2 TYR 107 1HE TYR 107 12.319 -3.604 -1.285 820 HH TYR 107 HH TYR 107 12.951 -3.165 -4.754 821 H HIS 108 H HIS 108 7.970 -4.763 0.467 822 HA HIS 108 HA HIS 108 9.984 -6.473 -0.477 823 HB2 HIS 108 1HB HIS 108 8.620 -6.229 2.201 824 HB3 HIS 108 2HB HIS 108 9.923 -7.379 1.915 825 HD1 HIS 108 1HD HIS 108 12.099 -5.979 0.655 826 HD2 HIS 108 2HD HIS 108 9.608 -3.992 3.321 827 HE1 HIS 108 1HE HIS 108 13.414 -3.987 1.448 828 HE2 HIS 108 2HE HIS 108 11.919 -2.848 3.125 829 H TYR 109 H TYR 109 6.886 -7.333 1.074 830 HA TYR 109 HA TYR 109 6.974 -10.053 0.855 831 HB2 TYR 109 1HB TYR 109 5.097 -9.274 1.969 832 HB3 TYR 109 2HB TYR 109 4.722 -8.087 0.725 833 HD1 TYR 109 2HD TYR 109 4.704 -11.736 1.429 834 HD2 TYR 109 1HD TYR 109 3.140 -8.565 -0.938 835 HE1 TYR 109 2HE TYR 109 3.046 -13.278 0.470 836 HE2 TYR 109 1HE TYR 109 1.477 -10.099 -1.904 837 HH TYR 109 HH TYR 109 0.502 -12.136 -1.680 838 H PHE 110 H PHE 110 5.118 -8.131 -1.500 839 HA PHE 110 HA PHE 110 4.837 -10.058 -3.434 840 HB2 PHE 110 1HB PHE 110 4.879 -7.080 -3.481 841 HB3 PHE 110 2HB PHE 110 4.946 -7.922 -5.026 842 HD1 PHE 110 2HD PHE 110 3.120 -9.623 -5.529 843 HD2 PHE 110 1HD PHE 110 2.856 -6.774 -2.377 844 HE1 PHE 110 2HE PHE 110 0.678 -9.915 -5.475 845 HE2 PHE 110 1HE PHE 110 0.412 -7.063 -2.317 846 HZ PHE 110 HZ PHE 110 -0.680 -8.634 -3.868 847 H SER 111 H SER 111 7.513 -7.770 -3.040 848 HA SER 111 HA SER 111 8.955 -8.283 -5.330 849 HB2 SER 111 1HB SER 111 9.735 -7.480 -2.553 850 HB3 SER 111 2HB SER 111 11.000 -7.869 -3.719 851 HG SER 111 HG SER 111 9.576 -5.624 -3.498 852 H LYS 112 H LYS 112 9.231 -9.975 -2.208 853 HA LYS 112 HA LYS 112 11.192 -11.760 -2.614 854 HB2 LYS 112 1HB LYS 112 8.461 -12.364 -1.468 855 HB3 LYS 112 2HB LYS 112 9.859 -13.418 -1.299 856 HG2 LYS 112 1HG LYS 112 10.176 -10.601 -0.445 857 HG3 LYS 112 2HG LYS 112 9.167 -11.650 0.554 858 HD2 LYS 112 1HD LYS 112 11.178 -12.087 1.524 859 HD3 LYS 112 2HD LYS 112 11.246 -13.285 0.228 860 HE2 LYS 112 1HE LYS 112 12.529 -11.732 -1.148 861 HE3 LYS 112 2HE LYS 112 12.435 -10.512 0.122 862 HZ1 LYS 112 1HZ LYS 112 14.287 -12.618 -0.169 863 HZ2 LYS 112 2HZ LYS 112 13.447 -12.820 1.286 864 HZ3 LYS 112 3HZ LYS 112 14.269 -11.374 0.979 865 H MET 113 H MET 113 7.848 -12.296 -3.735 866 HA MET 113 HA MET 113 8.077 -14.707 -4.969 867 HB2 MET 113 1HB MET 113 6.605 -12.271 -5.988 868 HB3 MET 113 2HB MET 113 6.362 -13.904 -6.595 869 HG2 MET 113 1HG MET 113 5.846 -14.501 -4.144 870 HG3 MET 113 2HG MET 113 5.655 -12.764 -3.925 871 HE1 MET 113 1HE MET 113 3.705 -14.742 -3.165 872 HE2 MET 113 2HE MET 113 2.645 -13.340 -3.305 873 HE3 MET 113 3HE MET 113 2.220 -14.852 -4.109 874 H LYS 114 H LYS 114 9.588 -15.458 -6.291 875 HA LYS 114 HA LYS 114 11.241 -15.543 -7.866 876 HB2 LYS 114 1HB LYS 114 9.061 -13.989 -9.249 877 HB3 LYS 114 2HB LYS 114 10.532 -14.473 -10.083 878 HG2 LYS 114 1HG LYS 114 10.023 -16.752 -9.892 879 HG3 LYS 114 2HG LYS 114 8.794 -16.461 -8.658 880 HD2 LYS 114 1HD LYS 114 7.500 -15.193 -10.408 881 HD3 LYS 114 2HD LYS 114 8.661 -15.793 -11.595 882 HE2 LYS 114 1HE LYS 114 7.304 -17.727 -9.775 883 HE3 LYS 114 2HE LYS 114 6.412 -17.068 -11.144 884 HZ1 LYS 114 1HZ LYS 114 7.883 -19.240 -11.331 885 HZ2 LYS 114 2HZ LYS 114 9.088 -18.103 -11.673 886 HZ3 LYS 114 3HZ LYS 114 7.693 -18.170 -12.629 887 H ALA 115 H ALA 115 11.811 -13.635 -5.964 888 HA ALA 115 HA ALA 115 12.461 -11.106 -7.115 889 HB1 ALA 115 1HB ALA 115 13.698 -12.269 -4.635 890 HB2 ALA 115 2HB ALA 115 13.445 -10.572 -5.041 891 HB3 ALA 115 3HB ALA 115 12.065 -11.602 -4.661 892 H LEU 116 H LEU 116 14.623 -10.253 -7.395 893 HA LEU 116 HA LEU 116 16.601 -12.315 -8.109 894 HB2 LEU 116 1HB LEU 116 17.340 -10.748 -9.918 895 HB3 LEU 116 2HB LEU 116 15.764 -11.497 -10.160 896 HG LEU 116 HG LEU 116 15.957 -8.752 -8.983 897 HD11 LEU 116 1HD1 LEU 116 17.241 -8.382 -10.889 898 HD12 LEU 116 2HD1 LEU 116 15.604 -7.982 -11.407 899 HD13 LEU 116 3HD1 LEU 116 16.315 -9.532 -11.854 900 HD21 LEU 116 1HD2 LEU 116 13.812 -8.806 -10.619 901 HD22 LEU 116 2HD2 LEU 116 13.763 -9.259 -8.915 902 HD23 LEU 116 3HD2 LEU 116 13.902 -10.505 -10.155 903 H ALA 117 H ALA 117 18.133 -12.177 -6.595 904 HA ALA 117 HA ALA 117 19.038 -9.505 -5.750 905 HB1 ALA 117 1HB ALA 117 18.147 -11.073 -4.000 906 HB2 ALA 117 2HB ALA 117 19.546 -12.101 -4.312 907 HB3 ALA 117 3HB ALA 117 19.774 -10.461 -3.704 908 H VAL 118 H VAL 118 20.826 -8.850 -6.735 909 HA VAL 118 HA VAL 118 23.042 -10.738 -7.058 910 HB VAL 118 HB VAL 118 22.014 -8.944 -9.261 911 HG11 VAL 118 1HG1 VAL 118 24.106 -8.880 -10.011 912 HG12 VAL 118 2HG1 VAL 118 24.653 -9.971 -8.737 913 HG13 VAL 118 3HG1 VAL 118 24.016 -10.625 -10.246 914 HG21 VAL 118 1HG2 VAL 118 22.286 -11.946 -9.172 915 HG22 VAL 118 2HG2 VAL 118 20.777 -11.067 -8.927 916 HG23 VAL 118 3HG2 VAL 118 21.604 -10.983 -10.482 917 H GLU 119 H GLU 119 24.965 -9.900 -6.512 918 HA GLU 119 HA GLU 119 25.101 -6.991 -6.064 919 HB2 GLU 119 1HB GLU 119 26.146 -9.318 -4.522 920 HB3 GLU 119 2HB GLU 119 27.095 -7.838 -4.522 921 HG2 GLU 119 1HG GLU 119 25.803 -7.501 -2.679 922 HG3 GLU 119 2HG GLU 119 24.804 -6.730 -3.910 923 H GLY 120 H GLY 120 27.261 -6.015 -6.306 924 HA2 GLY 120 1HA GLY 120 28.954 -7.455 -8.245 925 HA3 GLY 120 2HA GLY 120 28.421 -5.813 -8.577 926 H LYS 121 H LYS 121 30.679 -5.266 -8.726 927 HA LYS 121 HA LYS 121 32.254 -5.390 -6.290 928 HB2 LYS 121 1HB LYS 121 33.213 -5.776 -8.596 929 HB3 LYS 121 2HB LYS 121 32.981 -4.059 -8.901 930 HG2 LYS 121 1HG LYS 121 35.147 -4.026 -8.228 931 HG3 LYS 121 2HG LYS 121 34.363 -3.843 -6.658 932 HD2 LYS 121 1HD LYS 121 34.760 -6.062 -6.064 933 HD3 LYS 121 2HD LYS 121 35.023 -6.561 -7.737 934 HE2 LYS 121 1HE LYS 121 36.850 -4.677 -6.260 935 HE3 LYS 121 2HE LYS 121 37.087 -6.423 -6.301 936 HZ1 LYS 121 1HZ LYS 121 37.997 -6.276 -8.302 937 HZ2 LYS 121 2HZ LYS 121 37.977 -4.592 -8.150 938 HZ3 LYS 121 3HZ LYS 121 36.695 -5.387 -8.916 939 H SER 122 H SER 122 31.464 -3.993 -4.796 940 HA SER 122 HA SER 122 30.348 -1.481 -5.287 941 HB2 SER 122 1HB SER 122 30.146 -2.738 -3.144 942 HB3 SER 122 2HB SER 122 31.829 -2.348 -2.792 943 HG SER 122 HG SER 122 29.776 -0.437 -3.238 944 H GLY 123 H GLY 123 31.304 0.618 -4.432 945 HA2 GLY 123 1HA GLY 123 33.351 1.516 -5.991 946 HA3 GLY 123 2HA GLY 123 32.952 2.230 -4.435 947 HA PRO 124 HA PRO 124 36.945 -0.554 -4.399 948 HB2 PRO 124 1HB PRO 124 38.738 0.704 -6.002 949 HB3 PRO 124 2HB PRO 124 37.690 -0.600 -6.572 950 HG2 PRO 124 1HG PRO 124 37.369 2.359 -6.882 951 HG3 PRO 124 2HG PRO 124 37.106 1.074 -8.075 952 HD2 PRO 124 1HD PRO 124 35.073 2.250 -6.728 953 HD3 PRO 124 2HD PRO 124 35.024 0.549 -7.237 954 H SER 125 H SER 125 38.726 -0.056 -3.096 955 HA SER 125 HA SER 125 38.482 2.181 -1.430 956 HB2 SER 125 1HB SER 125 40.535 1.460 -0.399 957 HB3 SER 125 2HB SER 125 39.624 0.017 -0.846 958 HG SER 125 HG SER 125 41.015 0.371 -2.917 959 H SER 126 H SER 126 39.638 4.089 -1.254 960 HA SER 126 HA SER 126 40.602 5.169 -3.740 961 HB2 SER 126 1HB SER 126 40.386 6.359 -0.966 962 HB3 SER 126 2HB SER 126 40.924 7.258 -2.385 963 HG SER 126 HG SER 126 38.511 7.100 -1.639 964 H GLY 127 H GLY 127 42.008 4.403 -0.573 965 HA2 GLY 127 1HA GLY 127 44.614 5.332 -1.145 966 HA3 GLY 127 2HA GLY 127 44.190 4.173 0.105 Start of MODEL 19 1 H1 GLY 1 H GLY 1 19.645 14.586 -2.009 2 HA2 GLY 1 1HA GLY 1 18.045 13.365 -3.928 3 HA3 GLY 1 2HA GLY 1 19.322 14.201 -4.799 4 H SER 2 H SER 2 21.352 13.353 -4.844 5 HA SER 2 HA SER 2 21.626 10.662 -3.730 6 HB2 SER 2 1HB SER 2 23.562 10.468 -5.273 7 HB3 SER 2 2HB SER 2 22.067 10.874 -6.115 8 HG SER 2 HG SER 2 23.585 12.253 -6.899 9 H SER 3 H SER 3 22.245 10.894 -1.634 10 HA SER 3 HA SER 3 24.508 12.651 -1.022 11 HB2 SER 3 1HB SER 3 23.868 12.485 1.275 12 HB3 SER 3 2HB SER 3 22.380 12.717 0.357 13 HG SER 3 HG SER 3 21.749 10.968 1.328 14 H GLY 4 H GLY 4 23.457 9.280 -0.664 15 HA2 GLY 4 1HA GLY 4 25.636 7.906 -1.312 16 HA3 GLY 4 2HA GLY 4 26.107 8.504 0.272 17 H SER 5 H SER 5 24.813 7.880 2.115 18 HA SER 5 HA SER 5 23.699 5.194 1.749 19 HB2 SER 5 1HB SER 5 25.580 5.861 3.465 20 HB3 SER 5 2HB SER 5 24.215 6.397 4.445 21 HG SER 5 HG SER 5 25.091 4.031 4.436 22 H SER 6 H SER 6 22.060 7.264 0.911 23 HA SER 6 HA SER 6 20.285 8.301 2.789 24 HB2 SER 6 1HB SER 6 18.767 8.679 0.942 25 HB3 SER 6 2HB SER 6 20.414 8.977 0.386 26 HG SER 6 HG SER 6 18.911 7.596 -0.944 27 H GLY 7 H GLY 7 18.398 7.593 3.708 28 HA2 GLY 7 1HA GLY 7 18.120 4.856 4.253 29 HA3 GLY 7 2HA GLY 7 16.902 6.082 4.572 30 H ALA 8 H ALA 8 15.672 3.967 4.012 31 HA ALA 8 HA ALA 8 15.323 3.684 1.116 32 HB1 ALA 8 1HB ALA 8 15.297 1.848 3.252 33 HB2 ALA 8 2HB ALA 8 13.656 1.906 2.609 34 HB3 ALA 8 3HB ALA 8 15.008 1.530 1.542 35 H LYS 9 H LYS 9 14.261 5.778 0.964 36 HA LYS 9 HA LYS 9 11.414 5.591 1.687 37 HB2 LYS 9 1HB LYS 9 12.381 7.203 3.188 38 HB3 LYS 9 2HB LYS 9 13.209 8.014 1.865 39 HG2 LYS 9 1HG LYS 9 11.016 8.652 0.929 40 HG3 LYS 9 2HG LYS 9 10.235 7.915 2.331 41 HD2 LYS 9 1HD LYS 9 11.057 9.528 3.791 42 HD3 LYS 9 2HD LYS 9 12.351 10.006 2.690 43 HE2 LYS 9 1HE LYS 9 10.836 11.765 2.541 44 HE3 LYS 9 2HE LYS 9 10.452 10.775 1.134 45 HZ1 LYS 9 1HZ LYS 9 8.435 11.414 2.222 46 HZ2 LYS 9 2HZ LYS 9 8.983 10.830 3.713 47 HZ3 LYS 9 3HZ LYS 9 8.656 9.752 2.451 48 H ASP 10 H ASP 10 13.791 7.190 -0.417 49 HA ASP 10 HA ASP 10 11.959 8.173 -2.305 50 HB2 ASP 10 1HB ASP 10 14.062 8.021 -3.851 51 HB3 ASP 10 2HB ASP 10 14.061 9.136 -2.486 52 H ALA 11 H ALA 11 14.017 5.264 -2.464 53 HA ALA 11 HA ALA 11 13.142 4.222 -4.854 54 HB1 ALA 11 1HB ALA 11 13.465 2.011 -3.155 55 HB2 ALA 11 2HB ALA 11 14.658 2.722 -4.244 56 HB3 ALA 11 3HB ALA 11 14.569 3.255 -2.565 57 H LEU 12 H LEU 12 11.672 3.853 -1.651 58 HA LEU 12 HA LEU 12 9.643 2.055 -2.426 59 HB2 LEU 12 1HB LEU 12 10.345 2.475 -0.094 60 HB3 LEU 12 2HB LEU 12 9.601 4.070 -0.185 61 HG LEU 12 HG LEU 12 7.409 2.884 -0.616 62 HD11 LEU 12 1HD1 LEU 12 8.652 0.712 -1.196 63 HD12 LEU 12 2HD1 LEU 12 7.178 0.601 -0.234 64 HD13 LEU 12 3HD1 LEU 12 8.753 0.474 0.548 65 HD21 LEU 12 1HD2 LEU 12 8.490 3.735 1.653 66 HD22 LEU 12 2HD2 LEU 12 8.400 2.018 2.044 67 HD23 LEU 12 3HD2 LEU 12 6.935 2.902 1.610 68 H LEU 13 H LEU 13 9.501 5.573 -1.863 69 HA LEU 13 HA LEU 13 6.911 6.103 -2.501 70 HB2 LEU 13 1HB LEU 13 8.585 7.774 -1.792 71 HB3 LEU 13 2HB LEU 13 9.282 7.729 -3.410 72 HG LEU 13 HG LEU 13 7.135 8.591 -4.307 73 HD11 LEU 13 1HD1 LEU 13 6.103 7.823 -1.876 74 HD12 LEU 13 2HD1 LEU 13 5.298 8.840 -3.071 75 HD13 LEU 13 3HD1 LEU 13 6.187 9.580 -1.740 76 HD21 LEU 13 1HD2 LEU 13 8.076 10.466 -2.174 77 HD22 LEU 13 2HD2 LEU 13 7.627 10.807 -3.846 78 HD23 LEU 13 3HD2 LEU 13 9.154 9.996 -3.489 79 H LEU 14 H LEU 14 9.586 5.719 -4.803 80 HA LEU 14 HA LEU 14 8.102 6.232 -7.135 81 HB2 LEU 14 1HB LEU 14 10.505 6.268 -7.163 82 HB3 LEU 14 2HB LEU 14 10.576 4.572 -6.691 83 HG LEU 14 HG LEU 14 9.518 3.999 -8.884 84 HD11 LEU 14 1HD1 LEU 14 9.564 6.936 -9.109 85 HD12 LEU 14 2HD1 LEU 14 8.472 5.755 -9.832 86 HD13 LEU 14 3HD1 LEU 14 10.060 6.041 -10.546 87 HD21 LEU 14 1HD2 LEU 14 11.660 4.801 -10.196 88 HD22 LEU 14 2HD2 LEU 14 11.762 3.570 -8.938 89 HD23 LEU 14 3HD2 LEU 14 12.205 5.240 -8.577 90 H TRP 15 H TRP 15 8.808 3.216 -5.417 91 HA TRP 15 HA TRP 15 7.770 1.379 -7.193 92 HB2 TRP 15 1HB TRP 15 8.927 0.960 -4.951 93 HB3 TRP 15 2HB TRP 15 7.342 1.178 -4.215 94 HD1 TRP 15 HD TRP 15 9.072 -1.125 -6.804 95 HE1 TRP 15 1HE TRP 15 7.915 -3.422 -6.721 96 HE3 TRP 15 3HE TRP 15 5.358 -0.042 -3.462 97 HZ2 TRP 15 2HZ TRP 15 5.718 -4.618 -5.413 98 HZ3 TRP 15 3HZ TRP 15 3.770 -1.819 -2.848 99 HH2 TRP 15 HH TRP 15 3.948 -4.058 -3.805 100 H CYS 16 H CYS 16 5.984 2.794 -4.443 101 HA CYS 16 HA CYS 16 3.489 1.793 -4.995 102 HB2 CYS 16 1HB CYS 16 4.126 4.550 -3.922 103 HB3 CYS 16 2HB CYS 16 2.580 3.724 -3.768 104 HG CYS 16 HG CYS 16 4.284 1.524 -2.476 105 H GLN 17 H GLN 17 5.047 4.634 -6.395 106 HA GLN 17 HA GLN 17 2.847 5.647 -7.802 107 HB2 GLN 17 1HB GLN 17 5.808 5.893 -8.055 108 HB3 GLN 17 2HB GLN 17 4.813 6.450 -9.393 109 HG2 GLN 17 1HG GLN 17 3.628 7.964 -7.915 110 HG3 GLN 17 2HG GLN 17 4.562 7.375 -6.541 111 HE21 GLN 17 1HE2 GLN 17 5.497 9.309 -6.035 112 HE22 GLN 17 2HE2 GLN 17 6.655 10.097 -7.045 113 H MET 18 H MET 18 5.234 3.195 -8.669 114 HA MET 18 HA MET 18 4.467 2.884 -11.361 115 HB2 MET 18 1HB MET 18 5.820 1.024 -9.411 116 HB3 MET 18 2HB MET 18 5.532 0.587 -11.090 117 HG2 MET 18 1HG MET 18 6.769 2.785 -11.631 118 HG3 MET 18 2HG MET 18 7.349 2.676 -9.971 119 HE1 MET 18 1HE MET 18 9.061 1.664 -9.212 120 HE2 MET 18 2HE MET 18 8.876 -0.088 -9.293 121 HE3 MET 18 3HE MET 18 10.258 0.690 -10.068 122 H LYS 19 H LYS 19 3.409 1.260 -8.397 123 HA LYS 19 HA LYS 19 1.642 -0.540 -9.729 124 HB2 LYS 19 1HB LYS 19 1.566 0.326 -6.835 125 HB3 LYS 19 2HB LYS 19 0.864 -1.133 -7.521 126 HG2 LYS 19 1HG LYS 19 3.801 -0.492 -7.338 127 HG3 LYS 19 2HG LYS 19 2.913 -1.636 -6.327 128 HD2 LYS 19 1HD LYS 19 2.277 -2.755 -8.576 129 HD3 LYS 19 2HD LYS 19 3.640 -1.840 -9.227 130 HE2 LYS 19 1HE LYS 19 5.117 -2.867 -7.568 131 HE3 LYS 19 2HE LYS 19 3.755 -3.773 -6.912 132 HZ1 LYS 19 1HZ LYS 19 4.050 -5.324 -8.445 133 HZ2 LYS 19 2HZ LYS 19 5.435 -4.518 -8.986 134 HZ3 LYS 19 3HZ LYS 19 3.935 -4.193 -9.698 135 H THR 20 H THR 20 0.955 2.220 -7.571 136 HA THR 20 HA THR 20 -1.770 2.376 -7.992 137 HB THR 20 HB THR 20 -1.630 4.738 -7.321 138 HG1 THR 20 1HG THR 20 1.194 4.434 -7.291 139 HG21 THR 20 1HG2 THR 20 0.391 3.283 -5.653 140 HG22 THR 20 2HG2 THR 20 -1.280 2.723 -5.721 141 HG23 THR 20 3HG2 THR 20 -0.918 4.349 -5.143 142 H ALA 21 H ALA 21 0.822 3.323 -10.088 143 HA ALA 21 HA ALA 21 -0.268 5.228 -11.719 144 HB1 ALA 21 1HB ALA 21 1.969 4.525 -12.088 145 HB2 ALA 21 2HB ALA 21 1.461 2.873 -12.444 146 HB3 ALA 21 3HB ALA 21 1.073 4.177 -13.567 147 H GLY 22 H GLY 22 -1.821 5.350 -13.244 148 HA2 GLY 22 1HA GLY 22 -3.041 4.201 -15.054 149 HA3 GLY 22 2HA GLY 22 -3.208 2.838 -13.957 150 H TYR 23 H TYR 23 -3.909 4.244 -11.622 151 HA TYR 23 HA TYR 23 -6.695 4.707 -12.179 152 HB2 TYR 23 1HB TYR 23 -5.117 4.839 -9.602 153 HB3 TYR 23 2HB TYR 23 -6.866 5.013 -9.708 154 HD1 TYR 23 1HD TYR 23 -8.279 3.093 -10.229 155 HD2 TYR 23 2HD TYR 23 -4.060 2.681 -9.871 156 HE1 TYR 23 1HE TYR 23 -8.537 0.651 -10.068 157 HE2 TYR 23 2HE TYR 23 -4.306 0.238 -9.709 158 HH TYR 23 HH TYR 23 -7.010 -1.290 -8.961 159 HA PRO 24 HA PRO 24 -6.375 9.090 -12.681 160 HB2 PRO 24 1HB PRO 24 -9.021 9.656 -12.467 161 HB3 PRO 24 2HB PRO 24 -8.309 8.923 -13.909 162 HG2 PRO 24 1HG PRO 24 -9.785 7.621 -11.654 163 HG3 PRO 24 2HG PRO 24 -9.922 7.329 -13.399 164 HD2 PRO 24 1HD PRO 24 -8.502 5.709 -11.758 165 HD3 PRO 24 2HD PRO 24 -8.045 5.993 -13.450 166 H ASN 25 H ASN 25 -8.604 7.926 -10.145 167 HA ASN 25 HA ASN 25 -8.176 10.304 -8.562 168 HB2 ASN 25 1HB ASN 25 -10.359 8.938 -8.749 169 HB3 ASN 25 2HB ASN 25 -9.595 7.821 -7.621 170 HD21 ASN 25 1HD2 ASN 25 -10.500 11.201 -8.061 171 HD22 ASN 25 2HD2 ASN 25 -10.760 11.535 -6.386 172 H VAL 26 H VAL 26 -5.851 8.668 -9.109 173 HA VAL 26 HA VAL 26 -5.042 8.160 -6.336 174 HB VAL 26 HB VAL 26 -4.266 6.313 -8.590 175 HG11 VAL 26 1HG1 VAL 26 -2.655 6.381 -6.797 176 HG12 VAL 26 2HG1 VAL 26 -3.929 6.153 -5.597 177 HG13 VAL 26 3HG1 VAL 26 -3.536 4.856 -6.728 178 HG21 VAL 26 1HG2 VAL 26 -5.835 4.706 -7.735 179 HG22 VAL 26 2HG2 VAL 26 -6.304 5.794 -6.428 180 HG23 VAL 26 3HG2 VAL 26 -6.699 6.199 -8.098 181 H ASN 27 H ASN 27 -2.867 8.539 -5.887 182 HA ASN 27 HA ASN 27 -0.890 9.053 -7.826 183 HB2 ASN 27 1HB ASN 27 -2.571 11.091 -7.933 184 HB3 ASN 27 2HB ASN 27 -1.677 11.620 -6.511 185 HD21 ASN 27 1HD2 ASN 27 -0.376 13.182 -7.157 186 HD22 ASN 27 2HD2 ASN 27 0.685 13.115 -8.519 187 H VAL 28 H VAL 28 0.687 8.154 -6.659 188 HA VAL 28 HA VAL 28 0.900 8.632 -3.806 189 HB VAL 28 HB VAL 28 2.725 7.024 -5.596 190 HG11 VAL 28 1HG1 VAL 28 2.602 6.136 -2.881 191 HG12 VAL 28 2HG1 VAL 28 3.995 6.704 -3.803 192 HG13 VAL 28 3HG1 VAL 28 2.994 7.854 -2.917 193 HG21 VAL 28 1HG2 VAL 28 0.686 5.824 -3.772 194 HG22 VAL 28 2HG2 VAL 28 0.208 6.378 -5.377 195 HG23 VAL 28 3HG2 VAL 28 1.451 5.138 -5.206 196 H HIS 29 H HIS 29 1.262 10.988 -4.221 197 HA HIS 29 HA HIS 29 3.994 11.615 -5.071 198 HB2 HIS 29 1HB HIS 29 2.271 12.967 -6.105 199 HB3 HIS 29 2HB HIS 29 1.613 13.399 -4.530 200 HD1 HIS 29 1HD HIS 29 4.735 13.934 -6.609 201 HD2 HIS 29 2HD HIS 29 2.696 15.642 -3.417 202 HE1 HIS 29 1HE HIS 29 5.920 16.101 -6.137 203 HE2 HIS 29 2HE HIS 29 4.721 17.075 -4.148 204 H ASN 30 H ASN 30 2.000 11.381 -2.271 205 HA ASN 30 HA ASN 30 4.237 12.355 -0.629 206 HB2 ASN 30 1HB ASN 30 2.275 13.047 0.996 207 HB3 ASN 30 2HB ASN 30 2.802 14.128 -0.291 208 HD21 ASN 30 1HD2 ASN 30 0.191 12.669 1.129 209 HD22 ASN 30 2HD2 ASN 30 -0.965 12.877 -0.139 210 H PHE 31 H PHE 31 3.492 11.766 1.835 211 HA PHE 31 HA PHE 31 2.667 8.941 1.801 212 HB2 PHE 31 1HB PHE 31 5.095 10.190 3.027 213 HB3 PHE 31 2HB PHE 31 4.361 8.792 3.808 214 HD1 PHE 31 2HD PHE 31 3.704 6.894 1.948 215 HD2 PHE 31 1HD PHE 31 6.881 9.715 1.690 216 HE1 PHE 31 2HE PHE 31 4.897 5.403 0.397 217 HE2 PHE 31 1HE PHE 31 8.078 8.229 0.137 218 HZ PHE 31 HZ PHE 31 7.087 6.069 -0.510 219 H THR 32 H THR 32 1.283 11.502 2.466 220 HA THR 32 HA THR 32 0.411 10.733 5.167 221 HB THR 32 HB THR 32 -0.020 13.204 5.589 222 HG1 THR 32 1HG THR 32 1.784 13.429 3.389 223 HG21 THR 32 1HG2 THR 32 2.070 11.664 6.254 224 HG22 THR 32 2HG2 THR 32 1.953 13.363 6.710 225 HG23 THR 32 3HG2 THR 32 2.912 12.891 5.309 226 H THR 33 H THR 33 -0.586 13.292 2.912 227 HA THR 33 HA THR 33 -3.356 12.554 3.243 228 HB THR 33 HB THR 33 -3.839 14.462 1.766 229 HG1 THR 33 1HG THR 33 -1.165 15.248 1.705 230 HG21 THR 33 1HG2 THR 33 -1.908 14.898 4.032 231 HG22 THR 33 2HG2 THR 33 -3.665 15.055 4.041 232 HG23 THR 33 3HG2 THR 33 -2.677 16.238 3.184 233 H SER 34 H SER 34 -1.183 10.960 1.661 234 HA SER 34 HA SER 34 -2.548 10.764 -0.918 235 HB2 SER 34 1HB SER 34 -0.551 8.992 -1.167 236 HB3 SER 34 2HB SER 34 -0.319 10.720 -1.435 237 HG SER 34 HG SER 34 0.852 9.160 0.371 238 H TRP 35 H TRP 35 -1.962 8.962 2.020 239 HA TRP 35 HA TRP 35 -3.486 6.691 0.938 240 HB2 TRP 35 1HB TRP 35 -1.928 6.703 3.520 241 HB3 TRP 35 2HB TRP 35 -2.481 5.315 2.589 242 HD1 TRP 35 HD TRP 35 0.106 8.182 2.327 243 HE1 TRP 35 1HE TRP 35 2.074 7.348 0.892 244 HE3 TRP 35 3HE TRP 35 -1.750 3.613 0.977 245 HZ2 TRP 35 2HZ TRP 35 2.749 5.059 -0.613 246 HZ3 TRP 35 3HZ TRP 35 -0.381 2.163 -0.464 247 HH2 TRP 35 HH TRP 35 1.822 2.872 -1.241 248 H ARG 36 H ARG 36 -3.676 9.343 3.063 249 HA ARG 36 HA ARG 36 -5.235 8.643 5.155 250 HB2 ARG 36 1HB ARG 36 -4.703 10.926 4.940 251 HB3 ARG 36 2HB ARG 36 -5.416 11.029 3.336 252 HG2 ARG 36 1HG ARG 36 -7.645 10.559 4.478 253 HG3 ARG 36 2HG ARG 36 -6.803 10.901 5.990 254 HD2 ARG 36 1HD ARG 36 -6.152 13.105 5.091 255 HD3 ARG 36 2HD ARG 36 -7.076 12.758 3.631 256 HE ARG 36 HE ARG 36 -8.115 13.545 6.197 257 HH11 ARG 36 1HH1 ARG 36 -8.813 11.972 3.171 258 HH12 ARG 36 2HH1 ARG 36 -10.521 12.245 3.273 259 HH21 ARG 36 1HH2 ARG 36 -10.362 13.910 6.344 260 HH22 ARG 36 2HH2 ARG 36 -11.401 13.347 5.078 261 H ASP 37 H ASP 37 -6.379 9.122 1.831 262 HA ASP 37 HA ASP 37 -9.107 8.648 2.352 263 HB2 ASP 37 1HB ASP 37 -8.214 9.705 0.278 264 HB3 ASP 37 2HB ASP 37 -7.609 8.129 -0.225 265 H GLY 38 H GLY 38 -6.848 6.462 0.656 266 HA2 GLY 38 1HA GLY 38 -6.777 4.192 1.920 267 HA3 GLY 38 2HA GLY 38 -8.496 4.202 1.556 268 H LEU 39 H LEU 39 -8.467 5.246 -1.018 269 HA LEU 39 HA LEU 39 -8.361 3.175 -2.686 270 HB2 LEU 39 1HB LEU 39 -7.439 5.981 -3.257 271 HB3 LEU 39 2HB LEU 39 -7.660 4.766 -4.515 272 HG LEU 39 HG LEU 39 -9.838 5.785 -2.690 273 HD11 LEU 39 1HD1 LEU 39 -9.369 7.595 -4.069 274 HD12 LEU 39 2HD1 LEU 39 -10.648 6.747 -4.937 275 HD13 LEU 39 3HD1 LEU 39 -8.970 6.570 -5.448 276 HD21 LEU 39 1HD2 LEU 39 -10.165 3.483 -3.487 277 HD22 LEU 39 2HD2 LEU 39 -9.975 4.041 -5.150 278 HD23 LEU 39 3HD2 LEU 39 -11.340 4.601 -4.182 279 H ALA 40 H ALA 40 -5.526 5.319 -2.353 280 HA ALA 40 HA ALA 40 -3.640 4.127 -3.801 281 HB1 ALA 40 1HB ALA 40 -3.600 5.560 -1.266 282 HB2 ALA 40 2HB ALA 40 -2.221 4.481 -1.476 283 HB3 ALA 40 3HB ALA 40 -2.558 5.725 -2.679 284 H PHE 41 H PHE 41 -4.221 3.071 -0.439 285 HA PHE 41 HA PHE 41 -2.610 0.801 -0.527 286 HB2 PHE 41 1HB PHE 41 -4.953 1.609 1.160 287 HB3 PHE 41 2HB PHE 41 -4.275 -0.007 1.323 288 HD1 PHE 41 1HD PHE 41 -1.516 0.154 1.317 289 HD2 PHE 41 2HD PHE 41 -4.260 3.061 2.780 290 HE1 PHE 41 1HE PHE 41 0.221 1.034 2.820 291 HE2 PHE 41 2HE PHE 41 -2.527 3.946 4.284 292 HZ PHE 41 HZ PHE 41 -0.282 2.934 4.306 293 H ASN 42 H ASN 42 -6.083 1.131 -1.180 294 HA ASN 42 HA ASN 42 -6.432 -1.638 -1.802 295 HB2 ASN 42 1HB ASN 42 -8.249 0.652 -2.573 296 HB3 ASN 42 2HB ASN 42 -8.682 -1.047 -2.407 297 HD21 ASN 42 1HD2 ASN 42 -8.579 1.930 -0.897 298 HD22 ASN 42 2HD2 ASN 42 -8.879 1.413 0.723 299 H ALA 43 H ALA 43 -4.691 0.560 -3.374 300 HA ALA 43 HA ALA 43 -5.577 -0.154 -6.072 301 HB1 ALA 43 1HB ALA 43 -3.285 1.682 -5.581 302 HB2 ALA 43 2HB ALA 43 -4.505 1.715 -6.853 303 HB3 ALA 43 3HB ALA 43 -4.918 2.244 -5.223 304 H ILE 44 H ILE 44 -2.774 -0.385 -3.933 305 HA ILE 44 HA ILE 44 -0.989 -1.546 -5.764 306 HB ILE 44 HB ILE 44 -1.086 -1.967 -2.776 307 HG12 ILE 44 1HG1 ILE 44 0.681 0.000 -4.201 308 HG13 ILE 44 2HG1 ILE 44 -0.965 0.441 -3.762 309 HG21 ILE 44 1HG2 ILE 44 1.252 -2.201 -4.662 310 HG22 ILE 44 2HG2 ILE 44 1.235 -2.557 -2.936 311 HG23 ILE 44 3HG2 ILE 44 0.322 -3.570 -4.053 312 HD11 ILE 44 1HD1 ILE 44 0.615 1.194 -2.089 313 HD12 ILE 44 2HD1 ILE 44 -0.460 -0.034 -1.419 314 HD13 ILE 44 3HD1 ILE 44 1.193 -0.456 -1.868 315 H VAL 45 H VAL 45 -3.354 -2.984 -3.563 316 HA VAL 45 HA VAL 45 -2.626 -5.682 -4.104 317 HB VAL 45 HB VAL 45 -5.239 -4.601 -3.036 318 HG11 VAL 45 1HG1 VAL 45 -4.507 -7.211 -3.838 319 HG12 VAL 45 2HG1 VAL 45 -4.577 -7.201 -2.075 320 HG13 VAL 45 3HG1 VAL 45 -5.979 -6.693 -3.016 321 HG21 VAL 45 1HG2 VAL 45 -4.272 -5.260 -0.826 322 HG22 VAL 45 2HG2 VAL 45 -2.725 -5.504 -1.638 323 HG23 VAL 45 3HG2 VAL 45 -3.458 -3.900 -1.601 324 H HIS 46 H HIS 46 -5.616 -3.935 -4.976 325 HA HIS 46 HA HIS 46 -6.819 -5.630 -6.660 326 HB2 HIS 46 1HB HIS 46 -7.344 -3.134 -6.130 327 HB3 HIS 46 2HB HIS 46 -6.451 -2.806 -7.613 328 HD1 HIS 46 1HD HIS 46 -7.791 -2.857 -9.694 329 HD2 HIS 46 2HD HIS 46 -9.611 -4.986 -6.626 330 HE1 HIS 46 1HE HIS 46 -10.021 -3.579 -10.607 331 HE2 HIS 46 2HE HIS 46 -11.139 -4.792 -8.703 332 H LYS 47 H LYS 47 -4.039 -3.614 -7.537 333 HA LYS 47 HA LYS 47 -3.867 -4.254 -10.236 334 HB2 LYS 47 1HB LYS 47 -2.504 -2.563 -8.836 335 HB3 LYS 47 2HB LYS 47 -1.427 -3.915 -8.510 336 HG2 LYS 47 1HG LYS 47 -0.434 -2.881 -10.322 337 HG3 LYS 47 2HG LYS 47 -1.355 -4.186 -11.073 338 HD2 LYS 47 1HD LYS 47 -2.927 -2.748 -11.953 339 HD3 LYS 47 2HD LYS 47 -2.632 -1.509 -10.731 340 HE2 LYS 47 1HE LYS 47 -0.492 -0.981 -11.761 341 HE3 LYS 47 2HE LYS 47 -0.731 -2.259 -12.952 342 HZ1 LYS 47 1HZ LYS 47 -2.526 -1.086 -13.913 343 HZ2 LYS 47 2HZ LYS 47 -1.278 0.038 -13.724 344 HZ3 LYS 47 3HZ LYS 47 -2.583 0.035 -12.649 345 H HIS 48 H HIS 48 -2.490 -5.933 -7.432 346 HA HIS 48 HA HIS 48 -1.270 -7.978 -9.039 347 HB2 HIS 48 1HB HIS 48 -1.804 -8.074 -6.068 348 HB3 HIS 48 2HB HIS 48 -0.585 -8.971 -6.970 349 HD1 HIS 48 1HD HIS 48 0.936 -6.923 -8.455 350 HD2 HIS 48 2HD HIS 48 -0.495 -6.218 -4.619 351 HE1 HIS 48 1HE HIS 48 2.370 -5.074 -7.532 352 HE2 HIS 48 2HE HIS 48 1.540 -4.724 -5.179 353 H ARG 49 H ARG 49 -4.089 -7.817 -6.880 354 HA ARG 49 HA ARG 49 -5.183 -10.158 -8.284 355 HB2 ARG 49 1HB ARG 49 -5.313 -9.647 -5.307 356 HB3 ARG 49 2HB ARG 49 -6.133 -10.955 -6.149 357 HG2 ARG 49 1HG ARG 49 -3.148 -10.598 -6.165 358 HG3 ARG 49 2HG ARG 49 -4.008 -11.583 -4.979 359 HD2 ARG 49 1HD ARG 49 -4.099 -11.966 -7.970 360 HD3 ARG 49 2HD ARG 49 -3.124 -12.917 -6.850 361 HE ARG 49 HE ARG 49 -5.796 -13.024 -6.019 362 HH11 ARG 49 1HH1 ARG 49 -3.777 -14.113 -8.638 363 HH12 ARG 49 2HH1 ARG 49 -4.740 -15.513 -8.972 364 HH21 ARG 49 1HH2 ARG 49 -7.073 -14.864 -6.449 365 HH22 ARG 49 2HH2 ARG 49 -6.616 -15.939 -7.726 366 HA PRO 50 HA PRO 50 -8.235 -6.763 -8.582 367 HB2 PRO 50 1HB PRO 50 -9.225 -7.590 -10.971 368 HB3 PRO 50 2HB PRO 50 -7.774 -6.590 -10.826 369 HG2 PRO 50 1HG PRO 50 -8.004 -9.547 -11.235 370 HG3 PRO 50 2HG PRO 50 -6.909 -8.391 -12.015 371 HD2 PRO 50 1HD PRO 50 -6.126 -9.989 -9.975 372 HD3 PRO 50 2HD PRO 50 -5.458 -8.364 -10.224 373 H ASP 51 H ASP 51 -8.364 -9.957 -7.865 374 HA ASP 51 HA ASP 51 -11.260 -10.234 -8.155 375 HB2 ASP 51 1HB ASP 51 -9.434 -12.073 -8.634 376 HB3 ASP 51 2HB ASP 51 -9.537 -12.331 -6.895 377 H LEU 52 H LEU 52 -8.755 -10.182 -5.653 378 HA LEU 52 HA LEU 52 -10.129 -10.757 -3.387 379 HB2 LEU 52 1HB LEU 52 -8.223 -8.443 -3.703 380 HB3 LEU 52 2HB LEU 52 -8.650 -9.237 -2.189 381 HG LEU 52 HG LEU 52 -7.045 -10.388 -4.466 382 HD11 LEU 52 1HD1 LEU 52 -5.405 -9.382 -3.326 383 HD12 LEU 52 2HD1 LEU 52 -5.626 -10.678 -2.149 384 HD13 LEU 52 3HD1 LEU 52 -6.421 -9.122 -1.908 385 HD21 LEU 52 1HD2 LEU 52 -6.837 -12.229 -2.530 386 HD22 LEU 52 2HD2 LEU 52 -8.034 -12.316 -3.823 387 HD23 LEU 52 3HD2 LEU 52 -8.490 -11.685 -2.240 388 H LEU 53 H LEU 53 -9.758 -7.385 -4.494 389 HA LEU 53 HA LEU 53 -12.428 -6.835 -3.372 390 HB2 LEU 53 1HB LEU 53 -11.666 -4.567 -2.904 391 HB3 LEU 53 2HB LEU 53 -10.685 -5.767 -2.067 392 HG LEU 53 HG LEU 53 -9.768 -4.593 -4.667 393 HD11 LEU 53 1HD1 LEU 53 -8.593 -2.854 -3.455 394 HD12 LEU 53 2HD1 LEU 53 -9.311 -3.396 -1.938 395 HD13 LEU 53 3HD1 LEU 53 -10.333 -2.708 -3.200 396 HD21 LEU 53 1HD2 LEU 53 -8.717 -6.352 -2.619 397 HD22 LEU 53 2HD2 LEU 53 -7.653 -4.978 -2.915 398 HD23 LEU 53 3HD2 LEU 53 -8.123 -6.034 -4.248 399 H ASP 54 H ASP 54 -13.049 -4.456 -4.334 400 HA ASP 54 HA ASP 54 -12.649 -4.547 -7.242 401 HB2 ASP 54 1HB ASP 54 -15.275 -4.464 -5.766 402 HB3 ASP 54 2HB ASP 54 -15.124 -3.899 -7.427 403 H PHE 55 H PHE 55 -11.341 -2.753 -7.254 404 HA PHE 55 HA PHE 55 -11.449 -0.451 -5.831 405 HB2 PHE 55 1HB PHE 55 -9.937 -1.199 -7.866 406 HB3 PHE 55 2HB PHE 55 -11.043 -0.178 -8.779 407 HD1 PHE 55 1HD PHE 55 -8.952 -0.094 -5.694 408 HD2 PHE 55 2HD PHE 55 -10.547 2.055 -9.004 409 HE1 PHE 55 1HE PHE 55 -7.664 1.891 -5.021 410 HE2 PHE 55 2HE PHE 55 -9.261 4.044 -8.337 411 HZ PHE 55 HZ PHE 55 -7.816 3.964 -6.343 412 H GLU 56 H GLU 56 -13.422 -1.225 -8.666 413 HA GLU 56 HA GLU 56 -14.713 1.270 -8.874 414 HB2 GLU 56 1HB GLU 56 -16.406 0.047 -10.205 415 HB3 GLU 56 2HB GLU 56 -14.759 -0.299 -10.713 416 HG2 GLU 56 1HG GLU 56 -14.833 -2.458 -9.975 417 HG3 GLU 56 2HG GLU 56 -16.036 -2.110 -8.736 418 H SER 57 H SER 57 -15.352 -1.576 -6.934 419 HA SER 57 HA SER 57 -17.965 -0.821 -6.101 420 HB2 SER 57 1HB SER 57 -17.340 -3.133 -5.932 421 HB3 SER 57 2HB SER 57 -15.943 -2.741 -4.930 422 HG SER 57 HG SER 57 -18.439 -1.920 -4.012 423 H LEU 58 H LEU 58 -14.759 -0.547 -4.592 424 HA LEU 58 HA LEU 58 -15.290 0.440 -2.143 425 HB2 LEU 58 1HB LEU 58 -13.274 1.629 -4.042 426 HB3 LEU 58 2HB LEU 58 -13.250 1.766 -2.286 427 HG LEU 58 HG LEU 58 -12.902 -0.791 -3.852 428 HD11 LEU 58 1HD1 LEU 58 -10.939 1.024 -2.470 429 HD12 LEU 58 2HD1 LEU 58 -10.963 0.537 -4.164 430 HD13 LEU 58 3HD1 LEU 58 -10.576 -0.644 -2.913 431 HD21 LEU 58 1HD2 LEU 58 -11.980 -1.223 -1.318 432 HD22 LEU 58 2HD2 LEU 58 -13.561 -1.718 -1.924 433 HD23 LEU 58 3HD2 LEU 58 -13.393 -0.207 -1.028 434 H LYS 59 H LYS 59 -15.586 2.515 -1.204 435 HA LYS 59 HA LYS 59 -17.141 4.321 -2.918 436 HB2 LYS 59 1HB LYS 59 -17.929 3.251 -0.623 437 HB3 LYS 59 2HB LYS 59 -17.052 4.618 0.051 438 HG2 LYS 59 1HG LYS 59 -18.510 6.165 -0.827 439 HG3 LYS 59 2HG LYS 59 -19.048 5.084 -2.115 440 HD2 LYS 59 1HD LYS 59 -19.605 4.296 0.698 441 HD3 LYS 59 2HD LYS 59 -20.560 5.605 -0.002 442 HE2 LYS 59 1HE LYS 59 -21.854 3.833 -0.620 443 HE3 LYS 59 2HE LYS 59 -20.766 3.885 -2.006 444 HZ1 LYS 59 1HZ LYS 59 -19.543 2.085 -1.200 445 HZ2 LYS 59 2HZ LYS 59 -21.151 1.645 -0.915 446 HZ3 LYS 59 3HZ LYS 59 -20.191 2.205 0.359 447 H LYS 60 H LYS 60 -16.242 6.148 -3.578 448 HA LYS 60 HA LYS 60 -13.732 7.042 -2.465 449 HB2 LYS 60 1HB LYS 60 -15.433 7.848 -4.795 450 HB3 LYS 60 2HB LYS 60 -14.172 8.934 -4.226 451 HG2 LYS 60 1HG LYS 60 -12.481 7.545 -4.889 452 HG3 LYS 60 2HG LYS 60 -13.472 6.091 -4.749 453 HD2 LYS 60 1HD LYS 60 -14.703 6.712 -6.752 454 HD3 LYS 60 2HD LYS 60 -13.781 8.212 -6.874 455 HE2 LYS 60 1HE LYS 60 -12.880 6.592 -8.415 456 HE3 LYS 60 2HE LYS 60 -11.716 6.876 -7.122 457 HZ1 LYS 60 1HZ LYS 60 -13.218 4.475 -7.772 458 HZ2 LYS 60 2HZ LYS 60 -13.057 4.816 -6.122 459 HZ3 LYS 60 3HZ LYS 60 -11.679 4.639 -7.088 460 H CYS 61 H CYS 61 -15.637 7.186 -0.508 461 HA CYS 61 HA CYS 61 -15.882 10.089 -0.141 462 HB2 CYS 61 1HB CYS 61 -18.081 8.854 -0.761 463 HB3 CYS 61 2HB CYS 61 -18.006 8.224 0.879 464 HG CYS 61 HG CYS 61 -17.684 11.104 1.729 465 H ASN 62 H ASN 62 -16.302 6.992 1.582 466 HA ASN 62 HA ASN 62 -15.322 8.199 4.036 467 HB2 ASN 62 1HB ASN 62 -17.250 6.443 3.763 468 HB3 ASN 62 2HB ASN 62 -15.931 5.277 3.750 469 HD21 ASN 62 1HD2 ASN 62 -15.919 4.335 5.662 470 HD22 ASN 62 2HD2 ASN 62 -15.968 5.143 7.189 471 H ALA 63 H ALA 63 -13.303 8.050 4.773 472 HA ALA 63 HA ALA 63 -11.335 6.611 3.200 473 HB1 ALA 63 1HB ALA 63 -10.572 8.047 5.682 474 HB2 ALA 63 2HB ALA 63 -9.764 7.982 4.114 475 HB3 ALA 63 3HB ALA 63 -11.187 9.002 4.332 476 H HIS 64 H HIS 64 -12.778 6.467 6.405 477 HA HIS 64 HA HIS 64 -11.042 4.614 7.581 478 HB2 HIS 64 1HB HIS 64 -12.758 5.914 8.814 479 HB3 HIS 64 2HB HIS 64 -14.011 4.921 8.075 480 HD1 HIS 64 1HD HIS 64 -10.828 4.200 10.052 481 HD2 HIS 64 2HD HIS 64 -14.795 2.992 9.781 482 HE1 HIS 64 1HE HIS 64 -11.116 2.436 11.821 483 HE2 HIS 64 2HE HIS 64 -13.501 1.660 11.582 484 H TYR 65 H TYR 65 -14.051 4.100 5.763 485 HA TYR 65 HA TYR 65 -14.053 1.288 5.971 486 HB2 TYR 65 1HB TYR 65 -16.088 2.380 5.366 487 HB3 TYR 65 2HB TYR 65 -15.332 3.170 3.987 488 HD1 TYR 65 2HD TYR 65 -14.760 1.849 1.969 489 HD2 TYR 65 1HD TYR 65 -16.926 0.148 5.212 490 HE1 TYR 65 2HE TYR 65 -15.473 -0.001 0.515 491 HE2 TYR 65 1HE TYR 65 -17.644 -1.707 3.767 492 HH TYR 65 HH TYR 65 -17.343 -2.719 1.782 493 H ASN 66 H ASN 66 -12.853 3.470 3.441 494 HA ASN 66 HA ASN 66 -12.018 1.505 1.628 495 HB2 ASN 66 1HB ASN 66 -11.150 4.346 2.117 496 HB3 ASN 66 2HB ASN 66 -10.386 3.358 0.875 497 HD21 ASN 66 1HD2 ASN 66 -11.452 5.478 -0.109 498 HD22 ASN 66 2HD2 ASN 66 -12.981 5.190 -0.860 499 H LEU 67 H LEU 67 -10.448 2.890 4.447 500 HA LEU 67 HA LEU 67 -7.884 1.750 3.943 501 HB2 LEU 67 1HB LEU 67 -9.205 3.017 6.308 502 HB3 LEU 67 2HB LEU 67 -7.653 2.202 6.490 503 HG LEU 67 HG LEU 67 -8.021 4.372 4.453 504 HD11 LEU 67 1HD1 LEU 67 -6.789 5.598 6.562 505 HD12 LEU 67 2HD1 LEU 67 -8.035 4.639 7.361 506 HD13 LEU 67 3HD1 LEU 67 -8.482 5.798 6.110 507 HD21 LEU 67 1HD2 LEU 67 -5.958 3.554 4.047 508 HD22 LEU 67 2HD2 LEU 67 -5.800 2.851 5.658 509 HD23 LEU 67 3HD2 LEU 67 -5.514 4.575 5.415 510 H GLN 68 H GLN 68 -10.111 1.023 6.630 511 HA GLN 68 HA GLN 68 -9.054 -1.298 7.530 512 HB2 GLN 68 1HB GLN 68 -11.163 -1.852 8.447 513 HB3 GLN 68 2HB GLN 68 -11.125 -0.095 8.373 514 HG2 GLN 68 1HG GLN 68 -12.289 -0.503 6.050 515 HG3 GLN 68 2HG GLN 68 -12.744 -2.030 6.806 516 HE21 GLN 68 1HE2 GLN 68 -14.926 -1.244 6.590 517 HE22 GLN 68 2HE2 GLN 68 -15.568 -0.164 7.775 518 H ASN 69 H ASN 69 -11.043 -0.906 4.650 519 HA ASN 69 HA ASN 69 -11.613 -3.525 4.019 520 HB2 ASN 69 1HB ASN 69 -12.198 -1.297 2.786 521 HB3 ASN 69 2HB ASN 69 -10.733 -1.628 1.866 522 HD21 ASN 69 1HD2 ASN 69 -10.857 -2.964 0.194 523 HD22 ASN 69 2HD2 ASN 69 -12.212 -3.963 -0.191 524 H ALA 70 H ALA 70 -8.823 -1.705 2.734 525 HA ALA 70 HA ALA 70 -7.529 -3.988 1.687 526 HB1 ALA 70 1HB ALA 70 -5.546 -2.090 2.138 527 HB2 ALA 70 2HB ALA 70 -6.475 -2.324 0.657 528 HB3 ALA 70 3HB ALA 70 -7.015 -1.154 1.861 529 H PHE 71 H PHE 71 -7.164 -2.212 4.726 530 HA PHE 71 HA PHE 71 -4.904 -3.339 5.774 531 HB2 PHE 71 1HB PHE 71 -7.456 -2.390 7.012 532 HB3 PHE 71 2HB PHE 71 -6.262 -3.189 8.028 533 HD1 PHE 71 2HD PHE 71 -5.622 -0.950 5.148 534 HD2 PHE 71 1HD PHE 71 -5.521 -1.430 9.376 535 HE1 PHE 71 2HE PHE 71 -4.388 1.168 5.356 536 HE2 PHE 71 1HE PHE 71 -4.287 0.687 9.591 537 HZ PHE 71 HZ PHE 71 -3.718 1.988 7.580 538 H ASN 72 H ASN 72 -8.206 -4.632 6.153 539 HA ASN 72 HA ASN 72 -7.394 -7.011 7.445 540 HB2 ASN 72 1HB ASN 72 -9.927 -6.485 5.873 541 HB3 ASN 72 2HB ASN 72 -9.677 -7.793 7.027 542 HD21 ASN 72 1HD2 ASN 72 -11.001 -4.829 6.633 543 HD22 ASN 72 2HD2 ASN 72 -11.045 -4.304 8.279 544 H LEU 73 H LEU 73 -8.673 -6.584 4.138 545 HA LEU 73 HA LEU 73 -8.355 -9.024 3.070 546 HB2 LEU 73 1HB LEU 73 -7.926 -6.300 1.972 547 HB3 LEU 73 2HB LEU 73 -7.406 -7.667 0.988 548 HG LEU 73 HG LEU 73 -10.207 -7.138 1.978 549 HD11 LEU 73 1HD1 LEU 73 -9.183 -5.759 0.055 550 HD12 LEU 73 2HD1 LEU 73 -10.758 -6.514 -0.188 551 HD13 LEU 73 3HD1 LEU 73 -9.310 -7.252 -0.876 552 HD21 LEU 73 1HD2 LEU 73 -10.622 -9.057 0.264 553 HD22 LEU 73 2HD2 LEU 73 -10.135 -9.440 1.917 554 HD23 LEU 73 3HD2 LEU 73 -8.944 -9.476 0.616 555 H ALA 74 H ALA 74 -5.716 -6.654 3.364 556 HA ALA 74 HA ALA 74 -3.708 -8.346 2.313 557 HB1 ALA 74 1HB ALA 74 -2.924 -6.235 2.245 558 HB2 ALA 74 2HB ALA 74 -3.800 -5.747 3.697 559 HB3 ALA 74 3HB ALA 74 -2.288 -6.643 3.838 560 H GLU 75 H GLU 75 -4.935 -7.803 5.565 561 HA GLU 75 HA GLU 75 -2.889 -9.248 6.910 562 HB2 GLU 75 1HB GLU 75 -4.443 -7.560 7.955 563 HB3 GLU 75 2HB GLU 75 -5.711 -8.774 7.872 564 HG2 GLU 75 1HG GLU 75 -3.889 -10.217 9.145 565 HG3 GLU 75 2HG GLU 75 -3.345 -8.616 9.643 566 H LYS 76 H LYS 76 -5.576 -10.199 5.048 567 HA LYS 76 HA LYS 76 -5.575 -12.894 6.217 568 HB2 LYS 76 1HB LYS 76 -7.734 -11.522 5.847 569 HB3 LYS 76 2HB LYS 76 -7.520 -11.909 4.146 570 HG2 LYS 76 1HG LYS 76 -7.509 -14.321 4.764 571 HG3 LYS 76 2HG LYS 76 -7.913 -13.845 6.416 572 HD2 LYS 76 1HD LYS 76 -10.014 -14.224 5.601 573 HD3 LYS 76 2HD LYS 76 -9.839 -12.519 5.178 574 HE2 LYS 76 1HE LYS 76 -8.911 -14.554 3.220 575 HE3 LYS 76 2HE LYS 76 -10.648 -14.326 3.419 576 HZ1 LYS 76 1HZ LYS 76 -8.677 -12.570 2.229 577 HZ2 LYS 76 2HZ LYS 76 -9.807 -11.799 3.223 578 HZ3 LYS 76 3HZ LYS 76 -10.331 -12.721 1.905 579 H GLU 77 H GLU 77 -6.036 -11.574 2.934 580 HA GLU 77 HA GLU 77 -5.214 -13.833 1.554 581 HB2 GLU 77 1HB GLU 77 -5.132 -10.914 0.811 582 HB3 GLU 77 2HB GLU 77 -4.667 -12.182 -0.315 583 HG2 GLU 77 1HG GLU 77 -7.361 -11.874 0.989 584 HG3 GLU 77 2HG GLU 77 -6.959 -11.479 -0.681 585 H LEU 78 H LEU 78 -3.240 -10.877 1.822 586 HA LEU 78 HA LEU 78 -0.839 -12.147 1.086 587 HB2 LEU 78 1HB LEU 78 -1.032 -9.663 2.767 588 HB3 LEU 78 2HB LEU 78 0.251 -10.122 1.650 589 HG LEU 78 HG LEU 78 -2.550 -9.463 0.759 590 HD11 LEU 78 1HD1 LEU 78 -0.170 -7.620 0.742 591 HD12 LEU 78 2HD1 LEU 78 -1.455 -7.558 1.947 592 HD13 LEU 78 3HD1 LEU 78 -1.822 -7.252 0.249 593 HD21 LEU 78 1HD2 LEU 78 -1.051 -8.925 -1.340 594 HD22 LEU 78 2HD2 LEU 78 -1.605 -10.566 -1.007 595 HD23 LEU 78 3HD2 LEU 78 0.036 -10.084 -0.575 596 H GLY 79 H GLY 79 -2.184 -11.305 4.261 597 HA2 GLY 79 1HA GLY 79 -1.873 -12.527 6.239 598 HA3 GLY 79 2HA GLY 79 -0.563 -13.406 5.464 599 H LEU 80 H LEU 80 -1.017 -9.904 5.793 600 HA LEU 80 HA LEU 80 1.643 -9.744 6.997 601 HB2 LEU 80 1HB LEU 80 -0.175 -7.660 5.807 602 HB3 LEU 80 2HB LEU 80 1.355 -7.282 6.595 603 HG LEU 80 HG LEU 80 1.316 -9.195 4.300 604 HD11 LEU 80 1HD1 LEU 80 1.911 -6.907 3.042 605 HD12 LEU 80 2HD1 LEU 80 0.723 -6.304 4.197 606 HD13 LEU 80 3HD1 LEU 80 0.287 -7.597 3.080 607 HD21 LEU 80 1HD2 LEU 80 3.269 -8.026 5.948 608 HD22 LEU 80 2HD2 LEU 80 3.440 -7.272 4.362 609 HD23 LEU 80 3HD2 LEU 80 3.517 -9.029 4.518 610 H THR 81 H THR 81 2.029 -8.442 8.868 611 HA THR 81 HA THR 81 -0.087 -8.692 10.831 612 HB THR 81 HB THR 81 2.766 -7.730 11.115 613 HG1 THR 81 1HG THR 81 2.554 -9.970 10.670 614 HG21 THR 81 1HG2 THR 81 0.519 -7.511 12.900 615 HG22 THR 81 2HG2 THR 81 2.171 -6.929 13.109 616 HG23 THR 81 3HG2 THR 81 1.747 -8.572 13.590 617 H LYS 82 H LYS 82 -1.613 -7.146 10.641 618 HA LYS 82 HA LYS 82 -1.471 -4.608 9.687 619 HB2 LYS 82 1HB LYS 82 -3.152 -5.905 11.769 620 HB3 LYS 82 2HB LYS 82 -3.221 -4.152 11.657 621 HG2 LYS 82 1HG LYS 82 -3.589 -4.620 9.114 622 HG3 LYS 82 2HG LYS 82 -4.084 -6.215 9.688 623 HD2 LYS 82 1HD LYS 82 -5.220 -3.618 10.719 624 HD3 LYS 82 2HD LYS 82 -5.956 -4.579 9.433 625 HE2 LYS 82 1HE LYS 82 -6.005 -6.506 11.043 626 HE3 LYS 82 2HE LYS 82 -5.506 -5.378 12.304 627 HZ1 LYS 82 1HZ LYS 82 -8.037 -5.412 10.776 628 HZ2 LYS 82 2HZ LYS 82 -7.526 -4.036 11.617 629 HZ3 LYS 82 3HZ LYS 82 -7.820 -5.477 12.453 630 H LEU 83 H LEU 83 0.158 -3.235 10.100 631 HA LEU 83 HA LEU 83 1.211 -2.924 12.779 632 HB2 LEU 83 1HB LEU 83 1.906 -1.347 10.310 633 HB3 LEU 83 2HB LEU 83 2.847 -1.481 11.794 634 HG LEU 83 HG LEU 83 2.336 -3.743 9.864 635 HD11 LEU 83 1HD1 LEU 83 4.980 -2.418 10.283 636 HD12 LEU 83 2HD1 LEU 83 3.819 -1.735 9.146 637 HD13 LEU 83 3HD1 LEU 83 4.410 -3.381 8.920 638 HD21 LEU 83 1HD2 LEU 83 3.311 -3.647 12.563 639 HD22 LEU 83 2HD2 LEU 83 4.581 -4.211 11.476 640 HD23 LEU 83 3HD2 LEU 83 3.026 -5.044 11.525 641 H LEU 84 H LEU 84 -0.599 -0.990 10.429 642 HA LEU 84 HA LEU 84 -1.056 1.035 12.511 643 HB2 LEU 84 1HB LEU 84 -1.540 1.257 9.545 644 HB3 LEU 84 2HB LEU 84 -1.648 2.555 10.732 645 HG LEU 84 HG LEU 84 0.923 1.104 10.146 646 HD11 LEU 84 1HD1 LEU 84 -0.459 3.217 8.618 647 HD12 LEU 84 2HD1 LEU 84 0.717 2.015 8.090 648 HD13 LEU 84 3HD1 LEU 84 1.260 3.468 8.930 649 HD21 LEU 84 1HD2 LEU 84 0.694 3.911 11.111 650 HD22 LEU 84 2HD2 LEU 84 1.952 2.711 11.411 651 HD23 LEU 84 3HD2 LEU 84 0.405 2.596 12.252 652 H ASP 85 H ASP 85 -3.312 2.228 11.803 653 HA ASP 85 HA ASP 85 -5.353 0.125 11.562 654 HB2 ASP 85 1HB ASP 85 -5.139 2.254 13.682 655 HB3 ASP 85 2HB ASP 85 -6.681 1.502 13.282 656 HA PRO 86 HA PRO 86 -7.334 2.770 8.675 657 HB2 PRO 86 1HB PRO 86 -9.943 2.141 9.087 658 HB3 PRO 86 2HB PRO 86 -8.806 1.048 8.289 659 HG2 PRO 86 1HG PRO 86 -9.757 1.050 11.128 660 HG3 PRO 86 2HG PRO 86 -9.534 -0.320 10.024 661 HD2 PRO 86 1HD PRO 86 -7.727 0.319 11.937 662 HD3 PRO 86 2HD PRO 86 -7.258 -0.400 10.383 663 H GLU 87 H GLU 87 -7.616 3.230 11.983 664 HA GLU 87 HA GLU 87 -9.260 5.648 11.639 665 HB2 GLU 87 1HB GLU 87 -9.617 5.538 14.090 666 HB3 GLU 87 2HB GLU 87 -10.227 4.123 13.243 667 HG2 GLU 87 1HG GLU 87 -8.276 2.849 13.914 668 HG3 GLU 87 2HG GLU 87 -7.605 4.269 14.713 669 H ASP 88 H ASP 88 -6.237 4.384 12.896 670 HA ASP 88 HA ASP 88 -5.350 6.840 14.044 671 HB2 ASP 88 1HB ASP 88 -3.929 4.288 13.288 672 HB3 ASP 88 2HB ASP 88 -3.085 5.668 13.986 673 H VAL 89 H VAL 89 -4.745 5.189 10.968 674 HA VAL 89 HA VAL 89 -2.878 7.061 9.968 675 HB VAL 89 HB VAL 89 -4.688 5.122 8.527 676 HG11 VAL 89 1HG1 VAL 89 -2.392 5.881 7.001 677 HG12 VAL 89 2HG1 VAL 89 -4.100 6.004 6.577 678 HG13 VAL 89 3HG1 VAL 89 -3.307 7.323 7.440 679 HG21 VAL 89 1HG2 VAL 89 -1.821 5.042 9.425 680 HG22 VAL 89 2HG2 VAL 89 -3.125 3.920 9.815 681 HG23 VAL 89 3HG2 VAL 89 -2.450 3.957 8.185 682 H ASN 90 H ASN 90 -6.218 6.539 8.822 683 HA ASN 90 HA ASN 90 -6.547 8.749 7.283 684 HB2 ASN 90 1HB ASN 90 -8.810 8.352 7.365 685 HB3 ASN 90 2HB ASN 90 -8.217 6.826 8.016 686 HD21 ASN 90 1HD2 ASN 90 -10.160 9.527 8.552 687 HD22 ASN 90 2HD2 ASN 90 -10.564 9.219 10.203 688 H VAL 91 H VAL 91 -5.999 10.783 7.706 689 HA VAL 91 HA VAL 91 -7.312 12.329 9.657 690 HB VAL 91 HB VAL 91 -5.716 11.056 11.137 691 HG11 VAL 91 1HG1 VAL 91 -3.504 12.825 10.291 692 HG12 VAL 91 2HG1 VAL 91 -3.465 11.176 10.922 693 HG13 VAL 91 3HG1 VAL 91 -3.877 11.466 9.231 694 HG21 VAL 91 1HG2 VAL 91 -6.683 13.491 11.424 695 HG22 VAL 91 2HG2 VAL 91 -5.507 12.836 12.563 696 HG23 VAL 91 3HG2 VAL 91 -4.982 13.936 11.289 697 H ASP 92 H ASP 92 -6.290 14.562 9.843 698 HA ASP 92 HA ASP 92 -5.947 15.658 7.306 699 HB2 ASP 92 1HB ASP 92 -5.363 16.691 10.069 700 HB3 ASP 92 2HB ASP 92 -5.003 17.661 8.643 701 H GLN 93 H GLN 93 -3.478 15.150 9.828 702 HA GLN 93 HA GLN 93 -1.474 14.892 7.699 703 HB2 GLN 93 1HB GLN 93 0.130 16.144 9.200 704 HB3 GLN 93 2HB GLN 93 -1.132 17.117 8.453 705 HG2 GLN 93 1HG GLN 93 -2.429 16.804 10.619 706 HG3 GLN 93 2HG GLN 93 -0.916 16.212 11.302 707 HE21 GLN 93 1HE2 GLN 93 -0.144 17.751 12.560 708 HE22 GLN 93 2HE2 GLN 93 0.015 19.420 12.139 709 HA PRO 94 HA PRO 94 -1.241 11.334 10.619 710 HB2 PRO 94 1HB PRO 94 -0.767 9.496 8.679 711 HB3 PRO 94 2HB PRO 94 -2.394 10.013 9.135 712 HG2 PRO 94 1HG PRO 94 -0.703 10.899 6.830 713 HG3 PRO 94 2HG PRO 94 -2.433 10.511 6.865 714 HD2 PRO 94 1HD PRO 94 -1.509 13.057 6.911 715 HD3 PRO 94 2HD PRO 94 -3.005 12.569 7.732 716 H ASP 95 H ASP 95 0.554 9.799 10.954 717 HA ASP 95 HA ASP 95 3.076 11.118 10.681 718 HB2 ASP 95 1HB ASP 95 2.230 8.464 11.829 719 HB3 ASP 95 2HB ASP 95 3.925 8.932 11.730 720 H GLU 96 H GLU 96 3.612 11.260 8.521 721 HA GLU 96 HA GLU 96 3.379 9.425 6.520 722 HB2 GLU 96 1HB GLU 96 5.303 10.483 5.444 723 HB3 GLU 96 2HB GLU 96 4.252 11.686 6.177 724 HG2 GLU 96 1HG GLU 96 6.796 10.640 7.397 725 HG3 GLU 96 2HG GLU 96 6.637 12.160 6.519 726 H LYS 97 H LYS 97 5.996 9.612 8.907 727 HA LYS 97 HA LYS 97 7.550 7.503 7.893 728 HB2 LYS 97 1HB LYS 97 7.291 8.459 10.751 729 HB3 LYS 97 2HB LYS 97 8.585 7.445 10.126 730 HG2 LYS 97 1HG LYS 97 8.101 10.053 8.798 731 HG3 LYS 97 2HG LYS 97 8.858 10.056 10.392 732 HD2 LYS 97 1HD LYS 97 10.706 9.920 9.028 733 HD3 LYS 97 2HD LYS 97 10.387 8.210 9.331 734 HE2 LYS 97 1HE LYS 97 9.384 7.924 7.213 735 HE3 LYS 97 2HE LYS 97 9.262 9.663 6.951 736 HZ1 LYS 97 1HZ LYS 97 11.940 8.602 7.358 737 HZ2 LYS 97 2HZ LYS 97 11.402 9.805 6.299 738 HZ3 LYS 97 3HZ LYS 97 11.184 8.174 5.906 739 H SER 98 H SER 98 4.868 7.552 10.185 740 HA SER 98 HA SER 98 5.050 4.854 10.991 741 HB2 SER 98 1HB SER 98 3.085 5.223 12.150 742 HB3 SER 98 2HB SER 98 3.640 6.883 11.938 743 HG SER 98 HG SER 98 1.342 6.137 11.304 744 H ILE 99 H ILE 99 3.883 6.340 8.121 745 HA ILE 99 HA ILE 99 2.340 3.994 7.331 746 HB ILE 99 HB ILE 99 2.805 6.600 5.877 747 HG12 ILE 99 1HG1 ILE 99 0.290 5.595 7.216 748 HG13 ILE 99 2HG1 ILE 99 1.437 6.677 7.999 749 HG21 ILE 99 1HG2 ILE 99 2.243 4.326 4.633 750 HG22 ILE 99 2HG2 ILE 99 0.610 4.744 5.148 751 HG23 ILE 99 3HG2 ILE 99 1.530 5.862 4.142 752 HD11 ILE 99 1HD1 ILE 99 -0.467 7.206 5.787 753 HD12 ILE 99 2HD1 ILE 99 -0.075 8.180 7.203 754 HD13 ILE 99 3HD1 ILE 99 1.041 8.117 5.838 755 H ILE 100 H ILE 100 5.153 5.860 6.224 756 HA ILE 100 HA ILE 100 5.851 4.487 3.962 757 HB ILE 100 HB ILE 100 7.688 5.586 6.091 758 HG12 ILE 100 1HG1 ILE 100 7.191 6.823 3.411 759 HG13 ILE 100 2HG1 ILE 100 5.995 7.032 4.685 760 HG21 ILE 100 1HG2 ILE 100 8.730 3.847 4.596 761 HG22 ILE 100 2HG2 ILE 100 8.425 4.940 3.247 762 HG23 ILE 100 3HG2 ILE 100 9.492 5.437 4.561 763 HD11 ILE 100 1HD1 ILE 100 8.851 7.634 5.263 764 HD12 ILE 100 2HD1 ILE 100 7.886 8.785 4.339 765 HD13 ILE 100 3HD1 ILE 100 7.388 8.321 5.966 766 H THR 101 H THR 101 6.348 3.515 7.307 767 HA THR 101 HA THR 101 7.993 1.265 6.712 768 HB THR 101 HB THR 101 6.311 1.645 9.190 769 HG1 THR 101 1HG THR 101 8.581 2.977 8.297 770 HG21 THR 101 1HG2 THR 101 8.643 -0.062 8.438 771 HG22 THR 101 2HG2 THR 101 7.195 -0.480 9.353 772 HG23 THR 101 3HG2 THR 101 8.471 0.475 10.108 773 H TYR 102 H TYR 102 4.533 1.718 7.275 774 HA TYR 102 HA TYR 102 3.830 -1.015 7.280 775 HB2 TYR 102 1HB TYR 102 2.257 0.530 8.173 776 HB3 TYR 102 2HB TYR 102 2.256 1.493 6.699 777 HD1 TYR 102 2HD TYR 102 1.130 0.622 4.661 778 HD2 TYR 102 1HD TYR 102 0.848 -1.378 8.406 779 HE1 TYR 102 2HE TYR 102 -0.813 -0.638 3.835 780 HE2 TYR 102 1HE TYR 102 -1.095 -2.645 7.589 781 HH TYR 102 HH TYR 102 -2.726 -1.844 4.692 782 H VAL 103 H VAL 103 3.547 1.430 4.699 783 HA VAL 103 HA VAL 103 2.680 -0.305 2.685 784 HB VAL 103 HB VAL 103 2.517 2.092 2.405 785 HG11 VAL 103 1HG1 VAL 103 4.343 3.037 3.473 786 HG12 VAL 103 2HG1 VAL 103 5.497 1.985 2.651 787 HG13 VAL 103 3HG1 VAL 103 4.719 3.301 1.769 788 HG21 VAL 103 1HG2 VAL 103 4.264 1.916 0.189 789 HG22 VAL 103 2HG2 VAL 103 3.591 0.309 0.457 790 HG23 VAL 103 3HG2 VAL 103 2.516 1.686 0.221 791 H ALA 104 H ALA 104 5.900 0.449 3.853 792 HA ALA 104 HA ALA 104 7.507 -0.462 1.822 793 HB1 ALA 104 1HB ALA 104 9.044 0.032 3.341 794 HB2 ALA 104 2HB ALA 104 7.806 0.086 4.596 795 HB3 ALA 104 3HB ALA 104 8.631 -1.431 4.234 796 H THR 105 H THR 105 5.742 -2.359 4.215 797 HA THR 105 HA THR 105 6.871 -4.863 3.718 798 HB THR 105 HB THR 105 4.941 -5.835 4.748 799 HG1 THR 105 1HG THR 105 3.671 -3.359 4.139 800 HG21 THR 105 1HG2 THR 105 4.967 -3.202 6.140 801 HG22 THR 105 2HG2 THR 105 6.481 -4.099 6.019 802 HG23 THR 105 3HG2 THR 105 5.082 -4.830 6.804 803 H TYR 106 H TYR 106 4.131 -3.241 2.159 804 HA TYR 106 HA TYR 106 3.198 -5.270 0.547 805 HB2 TYR 106 1HB TYR 106 3.340 -2.295 0.174 806 HB3 TYR 106 2HB TYR 106 2.695 -3.320 -1.103 807 HD1 TYR 106 1HD TYR 106 2.310 -3.720 2.574 808 HD2 TYR 106 2HD TYR 106 0.418 -2.780 -1.120 809 HE1 TYR 106 1HE TYR 106 0.123 -3.735 3.697 810 HE2 TYR 106 2HE TYR 106 -1.775 -2.792 -0.005 811 HH TYR 106 HH TYR 106 -2.487 -2.369 2.663 812 H TYR 107 H TYR 107 6.049 -3.269 0.138 813 HA TYR 107 HA TYR 107 6.594 -4.186 -2.529 814 HB2 TYR 107 1HB TYR 107 7.492 -2.079 -2.165 815 HB3 TYR 107 2HB TYR 107 8.017 -2.470 -0.532 816 HD1 TYR 107 2HD TYR 107 8.802 -2.896 -4.115 817 HD2 TYR 107 1HD TYR 107 10.183 -3.373 -0.119 818 HE1 TYR 107 2HE TYR 107 11.073 -3.326 -4.957 819 HE2 TYR 107 1HE TYR 107 12.458 -3.803 -0.950 820 HH TYR 107 HH TYR 107 13.221 -3.597 -4.402 821 H HIS 108 H HIS 108 8.171 -4.692 0.628 822 HA HIS 108 HA HIS 108 10.063 -6.556 -0.183 823 HB2 HIS 108 1HB HIS 108 8.667 -6.110 2.447 824 HB3 HIS 108 2HB HIS 108 9.877 -7.374 2.253 825 HD1 HIS 108 1HD HIS 108 12.336 -6.623 1.929 826 HD2 HIS 108 2HD HIS 108 9.660 -3.502 2.528 827 HE1 HIS 108 1HE HIS 108 13.755 -4.604 2.415 828 HE2 HIS 108 2HE HIS 108 12.112 -2.748 2.858 829 H TYR 109 H TYR 109 6.878 -7.213 1.286 830 HA TYR 109 HA TYR 109 6.855 -9.941 1.214 831 HB2 TYR 109 1HB TYR 109 5.007 -8.805 2.197 832 HB3 TYR 109 2HB TYR 109 4.617 -7.985 0.689 833 HD1 TYR 109 2HD TYR 109 4.462 -11.186 2.497 834 HD2 TYR 109 1HD TYR 109 3.328 -9.076 -1.020 835 HE1 TYR 109 2HE TYR 109 2.875 -12.980 1.939 836 HE2 TYR 109 1HE TYR 109 1.736 -10.864 -1.587 837 HH TYR 109 HH TYR 109 1.804 -13.832 -0.390 838 H PHE 110 H PHE 110 5.305 -8.006 -1.349 839 HA PHE 110 HA PHE 110 5.004 -10.053 -3.187 840 HB2 PHE 110 1HB PHE 110 5.116 -7.087 -3.360 841 HB3 PHE 110 2HB PHE 110 5.272 -7.987 -4.865 842 HD1 PHE 110 2HD PHE 110 3.462 -9.825 -5.267 843 HD2 PHE 110 1HD PHE 110 3.020 -6.557 -2.574 844 HE1 PHE 110 2HE PHE 110 1.017 -10.077 -5.368 845 HE2 PHE 110 1HE PHE 110 0.573 -6.805 -2.672 846 HZ PHE 110 HZ PHE 110 -0.431 -8.565 -4.071 847 H SER 111 H SER 111 7.727 -7.828 -2.766 848 HA SER 111 HA SER 111 9.277 -8.409 -4.936 849 HB2 SER 111 1HB SER 111 9.876 -6.763 -3.184 850 HB3 SER 111 2HB SER 111 10.297 -8.091 -2.103 851 HG SER 111 HG SER 111 12.180 -8.041 -3.008 852 H LYS 112 H LYS 112 9.259 -10.205 -1.863 853 HA LYS 112 HA LYS 112 11.142 -12.107 -2.302 854 HB2 LYS 112 1HB LYS 112 8.401 -12.572 -1.115 855 HB3 LYS 112 2HB LYS 112 9.783 -13.641 -0.918 856 HG2 LYS 112 1HG LYS 112 9.969 -10.773 -0.099 857 HG3 LYS 112 2HG LYS 112 9.196 -11.960 0.954 858 HD2 LYS 112 1HD LYS 112 11.270 -13.339 0.806 859 HD3 LYS 112 2HD LYS 112 12.027 -12.017 -0.087 860 HE2 LYS 112 1HE LYS 112 12.106 -10.640 1.755 861 HE3 LYS 112 2HE LYS 112 10.749 -11.442 2.545 862 HZ1 LYS 112 1HZ LYS 112 12.947 -13.216 2.200 863 HZ2 LYS 112 2HZ LYS 112 12.131 -12.787 3.618 864 HZ3 LYS 112 3HZ LYS 112 13.415 -11.839 3.062 865 H MET 113 H MET 113 7.810 -12.180 -3.522 866 HA MET 113 HA MET 113 7.742 -14.660 -4.694 867 HB2 MET 113 1HB MET 113 6.582 -12.075 -5.746 868 HB3 MET 113 2HB MET 113 6.149 -13.674 -6.337 869 HG2 MET 113 1HG MET 113 5.844 -12.892 -3.457 870 HG3 MET 113 2HG MET 113 4.588 -12.597 -4.659 871 HE1 MET 113 1HE MET 113 6.427 -15.645 -2.577 872 HE2 MET 113 2HE MET 113 5.382 -14.379 -1.931 873 HE3 MET 113 3HE MET 113 4.780 -16.031 -2.078 874 H LYS 114 H LYS 114 7.600 -14.871 -7.251 875 HA LYS 114 HA LYS 114 10.127 -15.064 -8.260 876 HB2 LYS 114 1HB LYS 114 9.113 -15.159 -10.500 877 HB3 LYS 114 2HB LYS 114 8.203 -16.107 -9.329 878 HG2 LYS 114 1HG LYS 114 7.367 -13.298 -9.818 879 HG3 LYS 114 2HG LYS 114 7.008 -14.511 -11.049 880 HD2 LYS 114 1HD LYS 114 6.108 -15.888 -9.021 881 HD3 LYS 114 2HD LYS 114 6.022 -14.310 -8.234 882 HE2 LYS 114 1HE LYS 114 3.895 -14.754 -9.227 883 HE3 LYS 114 2HE LYS 114 4.685 -13.498 -10.179 884 HZ1 LYS 114 1HZ LYS 114 5.425 -15.920 -11.298 885 HZ2 LYS 114 2HZ LYS 114 4.374 -14.767 -11.950 886 HZ3 LYS 114 3HZ LYS 114 3.762 -16.034 -11.012 887 H ALA 115 H ALA 115 10.928 -13.872 -10.308 888 HA ALA 115 HA ALA 115 11.806 -11.991 -11.245 889 HB1 ALA 115 1HB ALA 115 10.436 -10.107 -11.537 890 HB2 ALA 115 2HB ALA 115 9.323 -11.472 -11.458 891 HB3 ALA 115 3HB ALA 115 9.535 -10.426 -10.054 892 H LEU 116 H LEU 116 13.000 -12.724 -8.947 893 HA LEU 116 HA LEU 116 13.085 -10.836 -6.880 894 HB2 LEU 116 1HB LEU 116 14.869 -12.999 -7.852 895 HB3 LEU 116 2HB LEU 116 15.554 -11.813 -6.742 896 HG LEU 116 HG LEU 116 14.806 -13.801 -5.554 897 HD11 LEU 116 1HD1 LEU 116 13.696 -12.721 -3.809 898 HD12 LEU 116 2HD1 LEU 116 12.853 -11.622 -4.900 899 HD13 LEU 116 3HD1 LEU 116 14.583 -11.429 -4.619 900 HD21 LEU 116 1HD2 LEU 116 12.969 -14.889 -6.147 901 HD22 LEU 116 2HD2 LEU 116 12.610 -13.640 -7.339 902 HD23 LEU 116 3HD2 LEU 116 11.984 -13.497 -5.695 903 H ALA 117 H ALA 117 14.477 -9.122 -6.439 904 HA ALA 117 HA ALA 117 15.675 -7.898 -8.824 905 HB1 ALA 117 1HB ALA 117 15.341 -5.801 -7.852 906 HB2 ALA 117 2HB ALA 117 13.891 -6.710 -7.423 907 HB3 ALA 117 3HB ALA 117 15.171 -6.477 -6.232 908 H VAL 118 H VAL 118 16.962 -10.010 -7.236 909 HA VAL 118 HA VAL 118 19.391 -8.523 -6.493 910 HB VAL 118 HB VAL 118 18.186 -9.317 -4.457 911 HG11 VAL 118 1HG1 VAL 118 17.697 -11.506 -4.039 912 HG12 VAL 118 2HG1 VAL 118 17.528 -11.504 -5.795 913 HG13 VAL 118 3HG1 VAL 118 19.009 -12.108 -5.052 914 HG21 VAL 118 1HG2 VAL 118 20.178 -9.438 -3.471 915 HG22 VAL 118 2HG2 VAL 118 20.545 -10.975 -4.255 916 HG23 VAL 118 3HG2 VAL 118 20.892 -9.458 -5.084 917 H GLU 119 H GLU 119 21.278 -9.343 -7.239 918 HA GLU 119 HA GLU 119 21.093 -11.592 -9.083 919 HB2 GLU 119 1HB GLU 119 23.192 -10.866 -9.964 920 HB3 GLU 119 2HB GLU 119 22.200 -9.433 -9.729 921 HG2 GLU 119 1HG GLU 119 23.386 -9.066 -7.563 922 HG3 GLU 119 2HG GLU 119 24.470 -10.382 -8.006 923 H GLY 120 H GLY 120 22.707 -13.293 -9.080 924 HA2 GLY 120 1HA GLY 120 24.150 -13.708 -6.575 925 HA3 GLY 120 2HA GLY 120 22.903 -14.880 -6.974 926 H LYS 121 H LYS 121 25.314 -15.905 -6.652 927 HA LYS 121 HA LYS 121 26.276 -16.383 -9.396 928 HB2 LYS 121 1HB LYS 121 28.518 -16.729 -8.508 929 HB3 LYS 121 2HB LYS 121 27.932 -15.129 -8.076 930 HG2 LYS 121 1HG LYS 121 28.821 -15.765 -6.084 931 HG3 LYS 121 2HG LYS 121 27.178 -16.375 -5.879 932 HD2 LYS 121 1HD LYS 121 27.907 -18.595 -6.600 933 HD3 LYS 121 2HD LYS 121 29.548 -17.986 -6.824 934 HE2 LYS 121 1HE LYS 121 29.812 -17.599 -4.496 935 HE3 LYS 121 2HE LYS 121 28.094 -17.853 -4.192 936 HZ1 LYS 121 1HZ LYS 121 30.048 -19.729 -3.957 937 HZ2 LYS 121 2HZ LYS 121 29.344 -20.105 -5.448 938 HZ3 LYS 121 3HZ LYS 121 28.388 -20.041 -4.053 939 H SER 122 H SER 122 27.649 -18.525 -9.380 940 HA SER 122 HA SER 122 25.853 -20.585 -8.363 941 HB2 SER 122 1HB SER 122 26.822 -22.045 -9.950 942 HB3 SER 122 2HB SER 122 26.733 -20.489 -10.773 943 HG SER 122 HG SER 122 29.010 -21.648 -9.541 944 H GLY 123 H GLY 123 26.428 -22.183 -6.943 945 HA2 GLY 123 1HA GLY 123 29.180 -22.241 -5.937 946 HA3 GLY 123 2HA GLY 123 27.897 -21.887 -4.790 947 HA PRO 124 HA PRO 124 27.429 -26.479 -6.341 948 HB2 PRO 124 1HB PRO 124 29.737 -27.578 -7.255 949 HB3 PRO 124 2HB PRO 124 28.567 -26.782 -8.314 950 HG2 PRO 124 1HG PRO 124 31.114 -25.711 -7.161 951 HG3 PRO 124 2HG PRO 124 30.470 -25.539 -8.804 952 HD2 PRO 124 1HD PRO 124 30.263 -23.581 -6.946 953 HD3 PRO 124 2HD PRO 124 29.032 -23.842 -8.198 954 H SER 125 H SER 125 27.456 -27.906 -4.715 955 HA SER 125 HA SER 125 29.720 -27.812 -2.830 956 HB2 SER 125 1HB SER 125 27.367 -27.069 -2.059 957 HB3 SER 125 2HB SER 125 26.964 -28.785 -2.106 958 HG SER 125 HG SER 125 28.465 -29.181 -0.541 959 H SER 126 H SER 126 30.947 -29.563 -2.781 960 HA SER 126 HA SER 126 29.884 -32.073 -3.861 961 HB2 SER 126 1HB SER 126 32.750 -31.272 -3.300 962 HB3 SER 126 2HB SER 126 32.229 -32.766 -4.079 963 HG SER 126 HG SER 126 31.169 -31.256 -5.639 964 H GLY 127 H GLY 127 29.597 -33.840 -2.633 965 HA2 GLY 127 1HA GLY 127 30.341 -33.621 0.213 966 HA3 GLY 127 2HA GLY 127 28.997 -34.568 -0.407 Start of MODEL 20 1 H1 GLY 1 H GLY 1 15.749 15.399 -6.584 2 HA2 GLY 1 1HA GLY 1 15.927 14.892 -9.451 3 HA3 GLY 1 2HA GLY 1 17.146 14.502 -8.247 4 H SER 2 H SER 2 17.005 12.521 -9.769 5 HA SER 2 HA SER 2 15.686 10.446 -8.290 6 HB2 SER 2 1HB SER 2 14.392 9.561 -10.225 7 HB3 SER 2 2HB SER 2 13.802 11.126 -9.666 8 HG SER 2 HG SER 2 14.128 11.801 -11.617 9 H SER 3 H SER 3 17.430 9.191 -8.076 10 HA SER 3 HA SER 3 18.642 8.090 -10.486 11 HB2 SER 3 1HB SER 3 20.088 9.992 -9.937 12 HB3 SER 3 2HB SER 3 20.273 9.391 -8.289 13 HG SER 3 HG SER 3 21.010 7.379 -9.582 14 H GLY 4 H GLY 4 19.519 6.039 -10.218 15 HA2 GLY 4 1HA GLY 4 18.395 4.447 -8.185 16 HA3 GLY 4 2HA GLY 4 19.656 3.940 -9.299 17 H SER 5 H SER 5 18.968 4.175 -6.142 18 HA SER 5 HA SER 5 21.792 4.188 -5.416 19 HB2 SER 5 1HB SER 5 19.735 6.038 -4.193 20 HB3 SER 5 2HB SER 5 21.295 5.688 -3.448 21 HG SER 5 HG SER 5 22.318 6.731 -5.058 22 H SER 6 H SER 6 21.887 3.762 -2.889 23 HA SER 6 HA SER 6 20.807 1.197 -2.485 24 HB2 SER 6 1HB SER 6 21.793 1.289 -0.295 25 HB3 SER 6 2HB SER 6 22.885 2.121 -1.401 26 HG SER 6 HG SER 6 22.118 4.082 -0.634 27 H GLY 7 H GLY 7 19.650 0.761 -0.241 28 HA2 GLY 7 1HA GLY 7 17.006 1.344 -0.448 29 HA3 GLY 7 2HA GLY 7 17.785 1.032 1.096 30 H ALA 8 H ALA 8 15.750 3.073 -0.282 31 HA ALA 8 HA ALA 8 16.329 5.178 1.606 32 HB1 ALA 8 1HB ALA 8 17.530 6.388 0.152 33 HB2 ALA 8 2HB ALA 8 16.961 5.464 -1.239 34 HB3 ALA 8 3HB ALA 8 15.969 6.764 -0.579 35 H LYS 9 H LYS 9 14.646 7.068 1.121 36 HA LYS 9 HA LYS 9 12.069 5.841 1.345 37 HB2 LYS 9 1HB LYS 9 12.887 7.917 2.581 38 HB3 LYS 9 2HB LYS 9 12.621 8.793 1.079 39 HG2 LYS 9 1HG LYS 9 10.233 7.666 1.278 40 HG3 LYS 9 2HG LYS 9 10.662 7.658 2.990 41 HD2 LYS 9 1HD LYS 9 10.812 10.106 1.237 42 HD3 LYS 9 2HD LYS 9 9.406 9.690 2.220 43 HE2 LYS 9 1HE LYS 9 12.133 9.876 3.444 44 HE3 LYS 9 2HE LYS 9 11.170 11.327 3.171 45 HZ1 LYS 9 1HZ LYS 9 9.364 10.207 4.452 46 HZ2 LYS 9 2HZ LYS 9 10.737 10.588 5.363 47 HZ3 LYS 9 3HZ LYS 9 10.471 8.995 4.864 48 H ASP 10 H ASP 10 13.663 7.908 -1.051 49 HA ASP 10 HA ASP 10 11.538 8.337 -2.777 50 HB2 ASP 10 1HB ASP 10 14.460 7.938 -3.458 51 HB3 ASP 10 2HB ASP 10 13.255 8.618 -4.547 52 H ALA 11 H ALA 11 13.907 5.680 -2.844 53 HA ALA 11 HA ALA 11 13.114 4.289 -5.044 54 HB1 ALA 11 1HB ALA 11 14.701 3.756 -2.825 55 HB2 ALA 11 2HB ALA 11 13.519 2.447 -2.854 56 HB3 ALA 11 3HB ALA 11 14.526 2.757 -4.268 57 H LEU 12 H LEU 12 11.572 4.240 -1.857 58 HA LEU 12 HA LEU 12 9.624 2.277 -2.568 59 HB2 LEU 12 1HB LEU 12 10.391 2.770 -0.245 60 HB3 LEU 12 2HB LEU 12 9.510 4.294 -0.332 61 HG LEU 12 HG LEU 12 7.412 2.979 -0.657 62 HD11 LEU 12 1HD1 LEU 12 8.571 0.929 -1.490 63 HD12 LEU 12 2HD1 LEU 12 7.375 0.633 -0.228 64 HD13 LEU 12 3HD1 LEU 12 9.094 0.619 0.166 65 HD21 LEU 12 1HD2 LEU 12 7.087 2.624 1.624 66 HD22 LEU 12 2HD2 LEU 12 8.362 3.841 1.568 67 HD23 LEU 12 3HD2 LEU 12 8.766 2.153 1.888 68 H LEU 13 H LEU 13 9.265 5.752 -1.824 69 HA LEU 13 HA LEU 13 6.685 6.179 -2.505 70 HB2 LEU 13 1HB LEU 13 8.172 7.928 -1.695 71 HB3 LEU 13 2HB LEU 13 9.020 7.940 -3.239 72 HG LEU 13 HG LEU 13 6.724 8.593 -4.234 73 HD11 LEU 13 1HD1 LEU 13 5.660 10.103 -2.284 74 HD12 LEU 13 2HD1 LEU 13 6.226 8.731 -1.331 75 HD13 LEU 13 3HD1 LEU 13 5.106 8.474 -2.668 76 HD21 LEU 13 1HD2 LEU 13 8.748 10.035 -4.040 77 HD22 LEU 13 2HD2 LEU 13 8.146 10.587 -2.477 78 HD23 LEU 13 3HD2 LEU 13 7.223 10.915 -3.944 79 H LEU 14 H LEU 14 9.392 5.922 -4.771 80 HA LEU 14 HA LEU 14 7.923 6.503 -7.108 81 HB2 LEU 14 1HB LEU 14 10.285 6.647 -7.198 82 HB3 LEU 14 2HB LEU 14 10.476 4.990 -6.625 83 HG LEU 14 HG LEU 14 9.546 4.182 -8.771 84 HD11 LEU 14 1HD1 LEU 14 9.213 5.663 -10.615 85 HD12 LEU 14 2HD1 LEU 14 9.770 7.046 -9.674 86 HD13 LEU 14 3HD1 LEU 14 8.250 6.255 -9.261 87 HD21 LEU 14 1HD2 LEU 14 11.972 4.392 -8.406 88 HD22 LEU 14 2HD2 LEU 14 11.916 6.022 -9.079 89 HD23 LEU 14 3HD2 LEU 14 11.522 4.634 -10.094 90 H TRP 15 H TRP 15 8.671 3.464 -5.460 91 HA TRP 15 HA TRP 15 7.764 1.635 -7.307 92 HB2 TRP 15 1HB TRP 15 8.833 1.157 -5.064 93 HB3 TRP 15 2HB TRP 15 7.248 1.414 -4.338 94 HD1 TRP 15 HD TRP 15 8.691 -0.821 -7.181 95 HE1 TRP 15 1HE TRP 15 7.574 -3.133 -7.002 96 HE3 TRP 15 3HE TRP 15 5.575 0.087 -3.231 97 HZ2 TRP 15 2HZ TRP 15 5.629 -4.403 -5.398 98 HZ3 TRP 15 3HZ TRP 15 4.118 -1.729 -2.436 99 HH2 TRP 15 HH TRP 15 4.145 -3.928 -3.499 100 H CYS 16 H CYS 16 5.802 2.912 -4.609 101 HA CYS 16 HA CYS 16 3.368 1.867 -5.320 102 HB2 CYS 16 1HB CYS 16 4.137 3.429 -3.316 103 HB3 CYS 16 2HB CYS 16 3.419 4.680 -4.324 104 HG CYS 16 HG CYS 16 1.034 2.806 -4.480 105 H GLN 17 H GLN 17 4.806 4.911 -6.441 106 HA GLN 17 HA GLN 17 2.661 5.816 -7.979 107 HB2 GLN 17 1HB GLN 17 5.630 6.248 -8.164 108 HB3 GLN 17 2HB GLN 17 4.532 6.974 -9.330 109 HG2 GLN 17 1HG GLN 17 3.456 8.254 -7.657 110 HG3 GLN 17 2HG GLN 17 4.251 7.357 -6.365 111 HE21 GLN 17 1HE2 GLN 17 4.468 9.936 -6.115 112 HE22 GLN 17 2HE2 GLN 17 6.022 10.522 -6.587 113 H MET 18 H MET 18 5.279 3.589 -8.771 114 HA MET 18 HA MET 18 4.782 3.382 -11.528 115 HB2 MET 18 1HB MET 18 5.935 1.325 -9.636 116 HB3 MET 18 2HB MET 18 6.028 1.251 -11.390 117 HG2 MET 18 1HG MET 18 7.065 3.679 -10.035 118 HG3 MET 18 2HG MET 18 8.004 2.191 -9.924 119 HE1 MET 18 1HE MET 18 9.602 1.715 -11.069 120 HE2 MET 18 2HE MET 18 9.618 1.480 -12.816 121 HE3 MET 18 3HE MET 18 10.319 2.939 -12.115 122 H LYS 19 H LYS 19 3.539 1.527 -8.777 123 HA LYS 19 HA LYS 19 1.990 -0.255 -10.384 124 HB2 LYS 19 1HB LYS 19 1.591 0.384 -7.459 125 HB3 LYS 19 2HB LYS 19 1.085 -1.068 -8.312 126 HG2 LYS 19 1HG LYS 19 3.921 -0.221 -7.758 127 HG3 LYS 19 2HG LYS 19 3.034 -1.519 -6.956 128 HD2 LYS 19 1HD LYS 19 2.738 -2.415 -9.400 129 HD3 LYS 19 2HD LYS 19 4.150 -1.405 -9.723 130 HE2 LYS 19 1HE LYS 19 5.210 -2.582 -7.709 131 HE3 LYS 19 2HE LYS 19 3.903 -3.754 -7.868 132 HZ1 LYS 19 1HZ LYS 19 6.205 -4.030 -9.108 133 HZ2 LYS 19 2HZ LYS 19 5.410 -3.107 -10.280 134 HZ3 LYS 19 3HZ LYS 19 4.754 -4.583 -9.779 135 H THR 20 H THR 20 1.002 2.328 -8.125 136 HA THR 20 HA THR 20 -1.681 2.406 -8.663 137 HB THR 20 HB THR 20 -1.620 4.828 -8.074 138 HG1 THR 20 1HG THR 20 1.191 4.470 -7.824 139 HG21 THR 20 1HG2 THR 20 -1.072 4.482 -5.828 140 HG22 THR 20 2HG2 THR 20 0.211 3.337 -6.220 141 HG23 THR 20 3HG2 THR 20 -1.478 2.867 -6.408 142 H ALA 21 H ALA 21 0.935 3.547 -10.661 143 HA ALA 21 HA ALA 21 -0.056 5.369 -12.348 144 HB1 ALA 21 1HB ALA 21 1.044 3.174 -13.906 145 HB2 ALA 21 2HB ALA 21 1.656 4.810 -13.664 146 HB3 ALA 21 3HB ALA 21 2.009 3.553 -12.479 147 H GLY 22 H GLY 22 -1.768 5.635 -13.629 148 HA2 GLY 22 1HA GLY 22 -3.141 4.687 -15.438 149 HA3 GLY 22 2HA GLY 22 -3.250 3.221 -14.475 150 H TYR 23 H TYR 23 -3.843 4.201 -11.987 151 HA TYR 23 HA TYR 23 -6.621 4.753 -12.254 152 HB2 TYR 23 1HB TYR 23 -4.804 4.728 -9.838 153 HB3 TYR 23 2HB TYR 23 -6.550 4.937 -9.750 154 HD1 TYR 23 1HD TYR 23 -8.043 3.070 -10.516 155 HD2 TYR 23 2HD TYR 23 -3.839 2.580 -10.076 156 HE1 TYR 23 1HE TYR 23 -8.338 0.630 -10.482 157 HE2 TYR 23 2HE TYR 23 -4.122 0.137 -10.042 158 HH TYR 23 HH TYR 23 -5.550 -1.555 -10.304 159 HA PRO 24 HA PRO 24 -6.267 9.172 -12.583 160 HB2 PRO 24 1HB PRO 24 -8.932 9.683 -12.508 161 HB3 PRO 24 2HB PRO 24 -8.114 9.057 -13.945 162 HG2 PRO 24 1HG PRO 24 -9.707 7.588 -11.880 163 HG3 PRO 24 2HG PRO 24 -9.725 7.408 -13.644 164 HD2 PRO 24 1HD PRO 24 -8.382 5.707 -12.020 165 HD3 PRO 24 2HD PRO 24 -7.823 6.106 -13.657 166 H ASN 25 H ASN 25 -8.520 7.726 -10.231 167 HA ASN 25 HA ASN 25 -8.332 10.033 -8.497 168 HB2 ASN 25 1HB ASN 25 -9.618 7.410 -7.771 169 HB3 ASN 25 2HB ASN 25 -10.019 9.026 -7.196 170 HD21 ASN 25 1HD2 ASN 25 -11.814 7.105 -8.295 171 HD22 ASN 25 2HD2 ASN 25 -12.491 7.795 -9.727 172 H VAL 26 H VAL 26 -5.901 8.503 -9.059 173 HA VAL 26 HA VAL 26 -5.165 7.908 -6.279 174 HB VAL 26 HB VAL 26 -4.290 6.233 -8.636 175 HG11 VAL 26 1HG1 VAL 26 -3.442 4.741 -6.777 176 HG12 VAL 26 2HG1 VAL 26 -2.558 6.248 -7.026 177 HG13 VAL 26 3HG1 VAL 26 -3.700 6.104 -5.689 178 HG21 VAL 26 1HG2 VAL 26 -6.102 5.403 -6.380 179 HG22 VAL 26 2HG2 VAL 26 -6.698 5.965 -7.942 180 HG23 VAL 26 3HG2 VAL 26 -5.714 4.503 -7.847 181 H ASN 27 H ASN 27 -3.254 8.742 -5.649 182 HA ASN 27 HA ASN 27 -1.162 9.386 -7.504 183 HB2 ASN 27 1HB ASN 27 -2.325 11.352 -8.010 184 HB3 ASN 27 2HB ASN 27 -2.908 11.545 -6.359 185 HD21 ASN 27 1HD2 ASN 27 -0.491 12.324 -8.607 186 HD22 ASN 27 2HD2 ASN 27 0.536 13.226 -7.550 187 H VAL 28 H VAL 28 0.607 8.828 -6.434 188 HA VAL 28 HA VAL 28 0.651 9.060 -3.511 189 HB VAL 28 HB VAL 28 2.558 7.576 -5.325 190 HG11 VAL 28 1HG1 VAL 28 3.832 7.204 -3.542 191 HG12 VAL 28 2HG1 VAL 28 2.860 8.392 -2.671 192 HG13 VAL 28 3HG1 VAL 28 2.443 6.679 -2.591 193 HG21 VAL 28 1HG2 VAL 28 1.427 5.548 -4.504 194 HG22 VAL 28 2HG2 VAL 28 0.251 6.561 -3.666 195 HG23 VAL 28 3HG2 VAL 28 0.343 6.591 -5.427 196 H HIS 29 H HIS 29 0.876 11.481 -4.115 197 HA HIS 29 HA HIS 29 3.430 12.376 -5.030 198 HB2 HIS 29 1HB HIS 29 1.698 13.907 -5.408 199 HB3 HIS 29 2HB HIS 29 1.053 13.723 -3.779 200 HD1 HIS 29 1HD HIS 29 1.324 15.886 -2.625 201 HD2 HIS 29 2HD HIS 29 4.647 14.949 -4.938 202 HE1 HIS 29 1HE HIS 29 2.976 17.736 -2.210 203 HE2 HIS 29 2HE HIS 29 4.944 17.193 -3.686 204 H ASN 30 H ASN 30 1.964 11.813 -1.887 205 HA ASN 30 HA ASN 30 4.611 12.033 -0.667 206 HB2 ASN 30 1HB ASN 30 3.274 13.172 1.322 207 HB3 ASN 30 2HB ASN 30 3.950 14.129 0.007 208 HD21 ASN 30 1HD2 ASN 30 1.033 12.141 0.371 209 HD22 ASN 30 2HD2 ASN 30 -0.073 13.374 -0.123 210 H PHE 31 H PHE 31 4.432 11.310 1.734 211 HA PHE 31 HA PHE 31 2.892 8.817 1.733 212 HB2 PHE 31 1HB PHE 31 5.335 9.727 3.243 213 HB3 PHE 31 2HB PHE 31 4.425 8.302 3.733 214 HD1 PHE 31 2HD PHE 31 3.848 6.733 1.576 215 HD2 PHE 31 1HD PHE 31 7.210 9.306 2.013 216 HE1 PHE 31 2HE PHE 31 5.094 5.375 -0.054 217 HE2 PHE 31 1HE PHE 31 8.462 7.953 0.382 218 HZ PHE 31 HZ PHE 31 7.404 5.984 -0.652 219 H THR 32 H THR 32 1.726 11.451 2.326 220 HA THR 32 HA THR 32 0.738 10.849 5.032 221 HB THR 32 HB THR 32 0.394 13.411 5.210 222 HG1 THR 32 1HG THR 32 2.162 13.164 3.028 223 HG21 THR 32 1HG2 THR 32 2.399 11.689 6.065 224 HG22 THR 32 2HG2 THR 32 2.075 13.310 6.679 225 HG23 THR 32 3HG2 THR 32 3.268 13.072 5.402 226 H THR 33 H THR 33 -0.059 13.276 2.552 227 HA THR 33 HA THR 33 -2.878 12.740 2.889 228 HB THR 33 HB THR 33 -3.241 14.564 1.313 229 HG1 THR 33 1HG THR 33 -1.216 15.668 0.596 230 HG21 THR 33 1HG2 THR 33 -3.010 15.788 3.170 231 HG22 THR 33 2HG2 THR 33 -1.370 16.141 2.626 232 HG23 THR 33 3HG2 THR 33 -1.662 14.803 3.736 233 H SER 34 H SER 34 -1.384 10.539 1.864 234 HA SER 34 HA SER 34 -2.611 10.293 -0.803 235 HB2 SER 34 1HB SER 34 -0.351 10.307 -1.357 236 HB3 SER 34 2HB SER 34 0.124 9.494 0.134 237 HG SER 34 HG SER 34 0.217 8.145 -1.755 238 H TRP 35 H TRP 35 -1.912 8.857 2.283 239 HA TRP 35 HA TRP 35 -3.528 6.509 1.535 240 HB2 TRP 35 1HB TRP 35 -1.672 6.547 3.897 241 HB3 TRP 35 2HB TRP 35 -2.286 5.165 2.994 242 HD1 TRP 35 HD TRP 35 0.095 8.169 2.356 243 HE1 TRP 35 1HE TRP 35 1.988 7.356 0.813 244 HE3 TRP 35 3HE TRP 35 -1.500 3.377 1.567 245 HZ2 TRP 35 2HZ TRP 35 2.711 4.996 -0.558 246 HZ3 TRP 35 3HZ TRP 35 -0.151 1.906 0.127 247 HH2 TRP 35 HH TRP 35 1.910 2.702 -0.913 248 H ARG 36 H ARG 36 -4.023 9.333 2.824 249 HA ARG 36 HA ARG 36 -5.056 8.817 5.412 250 HB2 ARG 36 1HB ARG 36 -4.454 11.070 4.749 251 HB3 ARG 36 2HB ARG 36 -5.642 11.041 3.453 252 HG2 ARG 36 1HG ARG 36 -6.595 10.589 6.227 253 HG3 ARG 36 2HG ARG 36 -6.122 12.224 5.758 254 HD2 ARG 36 1HD ARG 36 -7.949 10.638 4.005 255 HD3 ARG 36 2HD ARG 36 -8.588 11.432 5.443 256 HE ARG 36 HE ARG 36 -7.731 12.690 3.003 257 HH11 ARG 36 1HH1 ARG 36 -8.277 13.119 6.415 258 HH12 ARG 36 2HH1 ARG 36 -8.494 14.834 6.296 259 HH21 ARG 36 1HH2 ARG 36 -8.016 14.947 2.835 260 HH22 ARG 36 2HH2 ARG 36 -8.346 15.872 4.260 261 H ASP 37 H ASP 37 -6.478 8.825 2.187 262 HA ASP 37 HA ASP 37 -9.151 8.374 3.163 263 HB2 ASP 37 1HB ASP 37 -9.012 9.566 1.116 264 HB3 ASP 37 2HB ASP 37 -7.915 8.381 0.412 265 H GLY 38 H GLY 38 -6.903 6.423 1.185 266 HA2 GLY 38 1HA GLY 38 -6.639 4.102 2.303 267 HA3 GLY 38 2HA GLY 38 -8.373 4.021 2.032 268 H LEU 39 H LEU 39 -8.394 5.330 -0.504 269 HA LEU 39 HA LEU 39 -8.376 3.369 -2.310 270 HB2 LEU 39 1HB LEU 39 -7.318 6.153 -2.776 271 HB3 LEU 39 2HB LEU 39 -7.774 5.029 -4.055 272 HG LEU 39 HG LEU 39 -9.650 6.166 -1.981 273 HD11 LEU 39 1HD1 LEU 39 -8.650 7.241 -4.453 274 HD12 LEU 39 2HD1 LEU 39 -9.729 7.972 -3.264 275 HD13 LEU 39 3HD1 LEU 39 -10.389 6.966 -4.553 276 HD21 LEU 39 1HD2 LEU 39 -11.405 5.169 -3.326 277 HD22 LEU 39 2HD2 LEU 39 -10.276 3.928 -2.781 278 HD23 LEU 39 3HD2 LEU 39 -10.208 4.515 -4.443 279 H ALA 40 H ALA 40 -5.482 5.413 -1.862 280 HA ALA 40 HA ALA 40 -3.649 4.293 -3.432 281 HB1 ALA 40 1HB ALA 40 -3.547 5.801 -1.085 282 HB2 ALA 40 2HB ALA 40 -2.458 4.439 -0.816 283 HB3 ALA 40 3HB ALA 40 -2.228 5.488 -2.214 284 H PHE 41 H PHE 41 -4.154 3.005 -0.139 285 HA PHE 41 HA PHE 41 -2.623 0.705 -0.445 286 HB2 PHE 41 1HB PHE 41 -4.949 1.370 1.344 287 HB3 PHE 41 2HB PHE 41 -4.174 -0.209 1.406 288 HD1 PHE 41 1HD PHE 41 -1.371 0.350 1.145 289 HD2 PHE 41 2HD PHE 41 -4.363 2.545 3.228 290 HE1 PHE 41 1HE PHE 41 0.349 1.254 2.656 291 HE2 PHE 41 2HE PHE 41 -2.649 3.454 4.741 292 HZ PHE 41 HZ PHE 41 -0.290 2.809 4.456 293 H ASN 42 H ASN 42 -6.084 1.201 -1.027 294 HA ASN 42 HA ASN 42 -6.602 -1.498 -1.763 295 HB2 ASN 42 1HB ASN 42 -8.158 1.036 -2.326 296 HB3 ASN 42 2HB ASN 42 -8.755 -0.594 -2.630 297 HD21 ASN 42 1HD2 ASN 42 -8.670 1.906 -0.458 298 HD22 ASN 42 2HD2 ASN 42 -9.155 1.052 0.964 299 H ALA 43 H ALA 43 -4.730 0.708 -3.256 300 HA ALA 43 HA ALA 43 -5.535 0.007 -5.983 301 HB1 ALA 43 1HB ALA 43 -4.881 2.396 -5.101 302 HB2 ALA 43 2HB ALA 43 -3.244 1.822 -5.418 303 HB3 ALA 43 3HB ALA 43 -4.431 1.870 -6.723 304 H ILE 44 H ILE 44 -2.799 -0.248 -3.761 305 HA ILE 44 HA ILE 44 -0.939 -1.384 -5.507 306 HB ILE 44 HB ILE 44 -1.249 -1.884 -2.544 307 HG12 ILE 44 1HG1 ILE 44 0.652 0.026 -3.895 308 HG13 ILE 44 2HG1 ILE 44 -0.958 0.520 -3.385 309 HG21 ILE 44 1HG2 ILE 44 1.180 -2.251 -4.291 310 HG22 ILE 44 2HG2 ILE 44 1.058 -2.581 -2.564 311 HG23 ILE 44 3HG2 ILE 44 0.147 -3.559 -3.714 312 HD11 ILE 44 1HD1 ILE 44 0.781 1.102 -1.757 313 HD12 ILE 44 2HD1 ILE 44 -0.425 0.001 -1.091 314 HD13 ILE 44 3HD1 ILE 44 1.157 -0.611 -1.570 315 H VAL 45 H VAL 45 -3.266 -2.974 -3.333 316 HA VAL 45 HA VAL 45 -2.585 -5.616 -4.053 317 HB VAL 45 HB VAL 45 -5.204 -4.567 -2.968 318 HG11 VAL 45 1HG1 VAL 45 -4.469 -7.156 -3.903 319 HG12 VAL 45 2HG1 VAL 45 -4.680 -7.225 -2.152 320 HG13 VAL 45 3HG1 VAL 45 -5.989 -6.632 -3.176 321 HG21 VAL 45 1HG2 VAL 45 -3.347 -4.031 -1.505 322 HG22 VAL 45 2HG2 VAL 45 -4.323 -5.313 -0.790 323 HG23 VAL 45 3HG2 VAL 45 -2.786 -5.702 -1.563 324 H HIS 46 H HIS 46 -5.510 -3.764 -4.933 325 HA HIS 46 HA HIS 46 -6.740 -5.347 -6.692 326 HB2 HIS 46 1HB HIS 46 -7.221 -2.884 -6.140 327 HB3 HIS 46 2HB HIS 46 -6.164 -2.501 -7.496 328 HD1 HIS 46 1HD HIS 46 -7.120 -2.743 -9.825 329 HD2 HIS 46 2HD HIS 46 -9.646 -4.214 -6.872 330 HE1 HIS 46 1HE HIS 46 -9.305 -3.207 -10.980 331 HE2 HIS 46 2HE HIS 46 -10.843 -4.016 -9.156 332 H LYS 47 H LYS 47 -3.822 -3.481 -7.440 333 HA LYS 47 HA LYS 47 -3.614 -4.114 -10.150 334 HB2 LYS 47 1HB LYS 47 -2.253 -2.414 -8.879 335 HB3 LYS 47 2HB LYS 47 -1.294 -3.748 -8.251 336 HG2 LYS 47 1HG LYS 47 -0.041 -2.976 -10.039 337 HG3 LYS 47 2HG LYS 47 -0.904 -4.358 -10.716 338 HD2 LYS 47 1HD LYS 47 -2.415 -2.985 -11.878 339 HD3 LYS 47 2HD LYS 47 -1.984 -1.562 -10.925 340 HE2 LYS 47 1HE LYS 47 -0.990 -1.329 -13.085 341 HE3 LYS 47 2HE LYS 47 0.298 -1.675 -11.932 342 HZ1 LYS 47 1HZ LYS 47 0.844 -3.490 -13.054 343 HZ2 LYS 47 2HZ LYS 47 -0.242 -3.030 -14.266 344 HZ3 LYS 47 3HZ LYS 47 -0.744 -4.073 -13.033 345 H HIS 48 H HIS 48 -2.290 -5.796 -7.316 346 HA HIS 48 HA HIS 48 -1.101 -7.884 -8.871 347 HB2 HIS 48 1HB HIS 48 -1.747 -7.983 -5.925 348 HB3 HIS 48 2HB HIS 48 -0.503 -8.883 -6.787 349 HD1 HIS 48 1HD HIS 48 1.122 -6.867 -8.175 350 HD2 HIS 48 2HD HIS 48 -0.507 -6.121 -4.426 351 HE1 HIS 48 1HE HIS 48 2.527 -5.032 -7.185 352 HE2 HIS 48 2HE HIS 48 1.576 -4.658 -4.882 353 H ARG 49 H ARG 49 -3.944 -7.719 -6.731 354 HA ARG 49 HA ARG 49 -5.071 -9.997 -8.215 355 HB2 ARG 49 1HB ARG 49 -5.232 -9.531 -5.232 356 HB3 ARG 49 2HB ARG 49 -6.086 -10.796 -6.105 357 HG2 ARG 49 1HG ARG 49 -3.101 -10.573 -6.204 358 HG3 ARG 49 2HG ARG 49 -3.927 -11.416 -4.892 359 HD2 ARG 49 1HD ARG 49 -4.368 -12.036 -7.806 360 HD3 ARG 49 2HD ARG 49 -3.172 -12.863 -6.808 361 HE ARG 49 HE ARG 49 -5.396 -13.208 -5.372 362 HH11 ARG 49 1HH1 ARG 49 -4.767 -13.634 -8.768 363 HH12 ARG 49 2HH1 ARG 49 -5.935 -14.898 -8.961 364 HH21 ARG 49 1HH2 ARG 49 -6.939 -14.871 -5.611 365 HH22 ARG 49 2HH2 ARG 49 -7.171 -15.601 -7.164 366 HA PRO 50 HA PRO 50 -8.033 -6.510 -8.488 367 HB2 PRO 50 1HB PRO 50 -8.948 -7.213 -10.947 368 HB3 PRO 50 2HB PRO 50 -7.486 -6.248 -10.705 369 HG2 PRO 50 1HG PRO 50 -7.751 -9.178 -11.253 370 HG3 PRO 50 2HG PRO 50 -6.608 -8.011 -11.941 371 HD2 PRO 50 1HD PRO 50 -5.929 -9.712 -9.947 372 HD3 PRO 50 2HD PRO 50 -5.224 -8.089 -10.098 373 H ASP 51 H ASP 51 -8.245 -9.720 -7.899 374 HA ASP 51 HA ASP 51 -11.103 -10.004 -8.382 375 HB2 ASP 51 1HB ASP 51 -8.937 -11.863 -7.437 376 HB3 ASP 51 2HB ASP 51 -10.635 -12.288 -7.242 377 H LEU 52 H LEU 52 -8.846 -9.919 -5.647 378 HA LEU 52 HA LEU 52 -10.488 -10.393 -3.527 379 HB2 LEU 52 1HB LEU 52 -8.516 -8.122 -3.548 380 HB3 LEU 52 2HB LEU 52 -9.017 -9.107 -2.175 381 HG LEU 52 HG LEU 52 -7.312 -10.006 -4.497 382 HD11 LEU 52 1HD1 LEU 52 -5.630 -9.189 -3.306 383 HD12 LEU 52 2HD1 LEU 52 -6.010 -10.369 -2.051 384 HD13 LEU 52 3HD1 LEU 52 -6.711 -8.751 -1.983 385 HD21 LEU 52 1HD2 LEU 52 -7.830 -11.607 -2.026 386 HD22 LEU 52 2HD2 LEU 52 -7.275 -12.142 -3.612 387 HD23 LEU 52 3HD2 LEU 52 -8.960 -11.674 -3.379 388 H LEU 53 H LEU 53 -9.805 -7.077 -4.660 389 HA LEU 53 HA LEU 53 -12.546 -6.350 -3.856 390 HB2 LEU 53 1HB LEU 53 -11.691 -4.112 -3.327 391 HB3 LEU 53 2HB LEU 53 -10.959 -5.369 -2.330 392 HG LEU 53 HG LEU 53 -9.600 -4.197 -4.748 393 HD11 LEU 53 1HD1 LEU 53 -9.947 -2.362 -3.269 394 HD12 LEU 53 2HD1 LEU 53 -8.275 -2.889 -3.081 395 HD13 LEU 53 3HD1 LEU 53 -9.478 -3.326 -1.868 396 HD21 LEU 53 1HD2 LEU 53 -8.988 -6.269 -2.797 397 HD22 LEU 53 2HD2 LEU 53 -7.723 -5.045 -2.922 398 HD23 LEU 53 3HD2 LEU 53 -8.244 -5.926 -4.360 399 H ASP 54 H ASP 54 -13.286 -4.279 -4.963 400 HA ASP 54 HA ASP 54 -12.377 -4.276 -7.767 401 HB2 ASP 54 1HB ASP 54 -15.203 -3.824 -6.787 402 HB3 ASP 54 2HB ASP 54 -14.671 -3.856 -8.466 403 H PHE 55 H PHE 55 -10.986 -2.522 -7.405 404 HA PHE 55 HA PHE 55 -11.339 -0.196 -6.086 405 HB2 PHE 55 1HB PHE 55 -9.456 -0.996 -7.753 406 HB3 PHE 55 2HB PHE 55 -10.333 0.018 -8.893 407 HD1 PHE 55 1HD PHE 55 -8.390 -0.019 -5.779 408 HD2 PHE 55 2HD PHE 55 -10.296 2.400 -8.719 409 HE1 PHE 55 1HE PHE 55 -7.233 1.965 -4.894 410 HE2 PHE 55 2HE PHE 55 -9.142 4.385 -7.838 411 HZ PHE 55 HZ PHE 55 -7.608 4.170 -5.923 412 H GLU 56 H GLU 56 -12.673 -0.939 -9.284 413 HA GLU 56 HA GLU 56 -13.826 1.549 -9.819 414 HB2 GLU 56 1HB GLU 56 -14.854 -1.170 -10.648 415 HB3 GLU 56 2HB GLU 56 -15.262 0.365 -11.403 416 HG2 GLU 56 1HG GLU 56 -12.718 0.580 -11.793 417 HG3 GLU 56 2HG GLU 56 -12.694 -1.157 -11.494 418 H SER 57 H SER 57 -15.024 -1.199 -7.971 419 HA SER 57 HA SER 57 -17.662 -0.212 -7.621 420 HB2 SER 57 1HB SER 57 -17.137 -2.584 -7.326 421 HB3 SER 57 2HB SER 57 -16.091 -2.198 -5.960 422 HG SER 57 HG SER 57 -18.192 -2.871 -5.307 423 H LEU 58 H LEU 58 -14.733 -0.070 -5.630 424 HA LEU 58 HA LEU 58 -15.670 1.036 -3.319 425 HB2 LEU 58 1HB LEU 58 -13.165 1.884 -4.766 426 HB3 LEU 58 2HB LEU 58 -13.494 2.092 -3.047 427 HG LEU 58 HG LEU 58 -13.177 -0.563 -4.447 428 HD11 LEU 58 1HD1 LEU 58 -11.209 0.114 -2.439 429 HD12 LEU 58 2HD1 LEU 58 -11.203 1.264 -3.776 430 HD13 LEU 58 3HD1 LEU 58 -10.986 -0.457 -4.093 431 HD21 LEU 58 1HD2 LEU 58 -14.001 0.252 -1.735 432 HD22 LEU 58 2HD2 LEU 58 -12.816 -1.051 -1.826 433 HD23 LEU 58 3HD2 LEU 58 -14.369 -1.214 -2.645 434 H LYS 59 H LYS 59 -15.444 3.333 -2.555 435 HA LYS 59 HA LYS 59 -16.154 5.285 -4.629 436 HB2 LYS 59 1HB LYS 59 -17.783 4.442 -2.286 437 HB3 LYS 59 2HB LYS 59 -17.768 6.155 -2.684 438 HG2 LYS 59 1HG LYS 59 -18.430 5.524 -5.017 439 HG3 LYS 59 2HG LYS 59 -18.653 3.873 -4.431 440 HD2 LYS 59 1HD LYS 59 -20.785 4.663 -4.185 441 HD3 LYS 59 2HD LYS 59 -20.124 5.101 -2.607 442 HE2 LYS 59 1HE LYS 59 -20.036 6.995 -4.934 443 HE3 LYS 59 2HE LYS 59 -21.456 6.875 -3.895 444 HZ1 LYS 59 1HZ LYS 59 -19.632 7.160 -2.042 445 HZ2 LYS 59 2HZ LYS 59 -20.318 8.498 -2.816 446 HZ3 LYS 59 3HZ LYS 59 -18.797 7.933 -3.294 447 H LYS 60 H LYS 60 -15.781 7.488 -4.042 448 HA LYS 60 HA LYS 60 -13.571 7.765 -2.168 449 HB2 LYS 60 1HB LYS 60 -14.767 9.654 -4.199 450 HB3 LYS 60 2HB LYS 60 -13.438 10.087 -3.133 451 HG2 LYS 60 1HG LYS 60 -12.378 7.893 -4.164 452 HG3 LYS 60 2HG LYS 60 -13.478 8.287 -5.488 453 HD2 LYS 60 1HD LYS 60 -11.693 10.391 -4.322 454 HD3 LYS 60 2HD LYS 60 -11.065 9.244 -5.509 455 HE2 LYS 60 1HE LYS 60 -12.738 9.932 -7.112 456 HE3 LYS 60 2HE LYS 60 -13.490 10.990 -5.920 457 HZ1 LYS 60 1HZ LYS 60 -12.160 12.587 -6.645 458 HZ2 LYS 60 2HZ LYS 60 -11.308 11.520 -7.644 459 HZ3 LYS 60 3HZ LYS 60 -10.834 11.732 -6.034 460 H CYS 61 H CYS 61 -15.989 7.248 -0.902 461 HA CYS 61 HA CYS 61 -16.510 9.828 0.421 462 HB2 CYS 61 1HB CYS 61 -18.432 8.994 -0.981 463 HB3 CYS 61 2HB CYS 61 -18.533 7.607 0.097 464 HG CYS 61 HG CYS 61 -20.288 10.130 0.405 465 H ASN 62 H ASN 62 -16.461 6.304 0.775 466 HA ASN 62 HA ASN 62 -16.300 6.595 3.682 467 HB2 ASN 62 1HB ASN 62 -16.935 4.318 1.839 468 HB3 ASN 62 2HB ASN 62 -16.374 3.981 3.475 469 HD21 ASN 62 1HD2 ASN 62 -17.543 5.568 5.110 470 HD22 ASN 62 2HD2 ASN 62 -19.265 5.551 4.976 471 H ALA 63 H ALA 63 -14.275 7.041 4.315 472 HA ALA 63 HA ALA 63 -11.990 5.867 2.978 473 HB1 ALA 63 1HB ALA 63 -11.095 7.181 5.269 474 HB2 ALA 63 2HB ALA 63 -11.110 7.803 3.619 475 HB3 ALA 63 3HB ALA 63 -12.467 8.131 4.696 476 H HIS 64 H HIS 64 -13.674 5.575 6.060 477 HA HIS 64 HA HIS 64 -11.808 3.928 7.369 478 HB2 HIS 64 1HB HIS 64 -13.938 5.152 8.269 479 HB3 HIS 64 2HB HIS 64 -14.758 3.654 7.841 480 HD1 HIS 64 1HD HIS 64 -12.217 1.863 8.730 481 HD2 HIS 64 2HD HIS 64 -14.239 4.689 11.007 482 HE1 HIS 64 1HE HIS 64 -11.772 1.239 11.126 483 HE2 HIS 64 2HE HIS 64 -13.076 2.912 12.484 484 H TYR 65 H TYR 65 -14.775 3.060 5.594 485 HA TYR 65 HA TYR 65 -14.498 0.286 5.815 486 HB2 TYR 65 1HB TYR 65 -16.602 1.086 5.113 487 HB3 TYR 65 2HB TYR 65 -15.902 2.042 3.812 488 HD1 TYR 65 1HD TYR 65 -16.914 -1.323 4.862 489 HD2 TYR 65 2HD TYR 65 -15.313 1.026 1.697 490 HE1 TYR 65 1HE TYR 65 -17.331 -3.168 3.291 491 HE2 TYR 65 2HE TYR 65 -15.726 -0.811 0.116 492 HH TYR 65 HH TYR 65 -16.620 -2.829 -0.170 493 H ASN 66 H ASN 66 -13.312 2.537 3.356 494 HA ASN 66 HA ASN 66 -12.264 0.592 1.601 495 HB2 ASN 66 1HB ASN 66 -11.771 3.525 2.011 496 HB3 ASN 66 2HB ASN 66 -10.762 2.607 0.897 497 HD21 ASN 66 1HD2 ASN 66 -11.959 4.481 -0.335 498 HD22 ASN 66 2HD2 ASN 66 -13.371 3.969 -1.190 499 H LEU 67 H LEU 67 -10.847 2.371 4.308 500 HA LEU 67 HA LEU 67 -8.203 1.444 3.973 501 HB2 LEU 67 1HB LEU 67 -9.727 2.546 6.310 502 HB3 LEU 67 2HB LEU 67 -8.059 2.002 6.475 503 HG LEU 67 HG LEU 67 -8.817 4.066 4.434 504 HD11 LEU 67 1HD1 LEU 67 -9.471 5.403 6.102 505 HD12 LEU 67 2HD1 LEU 67 -7.757 5.494 6.505 506 HD13 LEU 67 3HD1 LEU 67 -8.800 4.346 7.343 507 HD21 LEU 67 1HD2 LEU 67 -6.277 3.363 5.900 508 HD22 LEU 67 2HD2 LEU 67 -6.460 4.745 4.820 509 HD23 LEU 67 3HD2 LEU 67 -6.629 3.105 4.191 510 H GLN 68 H GLN 68 -10.407 0.532 6.622 511 HA GLN 68 HA GLN 68 -9.146 -1.625 7.622 512 HB2 GLN 68 1HB GLN 68 -11.209 -2.403 8.462 513 HB3 GLN 68 2HB GLN 68 -11.402 -0.662 8.306 514 HG2 GLN 68 1HG GLN 68 -12.376 -1.304 5.956 515 HG3 GLN 68 2HG GLN 68 -12.650 -2.859 6.741 516 HE21 GLN 68 1HE2 GLN 68 -12.925 0.537 7.744 517 HE22 GLN 68 2HE2 GLN 68 -14.544 0.409 8.333 518 H ASN 69 H ASN 69 -10.805 -1.472 4.555 519 HA ASN 69 HA ASN 69 -11.061 -4.197 4.000 520 HB2 ASN 69 1HB ASN 69 -11.856 -2.048 2.691 521 HB3 ASN 69 2HB ASN 69 -10.348 -2.285 1.812 522 HD21 ASN 69 1HD2 ASN 69 -10.937 -3.073 -0.090 523 HD22 ASN 69 2HD2 ASN 69 -11.947 -4.454 -0.335 524 H ALA 70 H ALA 70 -8.492 -2.004 2.842 525 HA ALA 70 HA ALA 70 -6.837 -4.079 1.876 526 HB1 ALA 70 1HB ALA 70 -6.858 -1.441 1.492 527 HB2 ALA 70 2HB ALA 70 -5.583 -1.530 2.708 528 HB3 ALA 70 3HB ALA 70 -5.429 -2.434 1.202 529 H PHE 71 H PHE 71 -7.218 -2.612 5.007 530 HA PHE 71 HA PHE 71 -4.749 -3.463 6.122 531 HB2 PHE 71 1HB PHE 71 -7.357 -2.513 7.268 532 HB3 PHE 71 2HB PHE 71 -6.104 -3.155 8.326 533 HD1 PHE 71 2HD PHE 71 -5.598 -1.142 5.263 534 HD2 PHE 71 1HD PHE 71 -5.494 -1.233 9.517 535 HE1 PHE 71 2HE PHE 71 -4.492 1.056 5.281 536 HE2 PHE 71 1HE PHE 71 -4.389 0.964 9.541 537 HZ PHE 71 HZ PHE 71 -3.886 2.112 7.422 538 H ASN 72 H ASN 72 -8.044 -4.792 6.269 539 HA ASN 72 HA ASN 72 -7.190 -7.124 7.719 540 HB2 ASN 72 1HB ASN 72 -9.451 -7.751 7.773 541 HB3 ASN 72 2HB ASN 72 -9.506 -5.991 7.797 542 HD21 ASN 72 1HD2 ASN 72 -10.776 -5.034 6.379 543 HD22 ASN 72 2HD2 ASN 72 -11.426 -5.757 4.951 544 H LEU 73 H LEU 73 -8.395 -6.514 4.425 545 HA LEU 73 HA LEU 73 -8.355 -9.016 3.356 546 HB2 LEU 73 1HB LEU 73 -7.600 -6.364 2.190 547 HB3 LEU 73 2HB LEU 73 -7.518 -7.830 1.217 548 HG LEU 73 HG LEU 73 -10.002 -6.740 2.538 549 HD11 LEU 73 1HD1 LEU 73 -10.719 -6.134 0.324 550 HD12 LEU 73 2HD1 LEU 73 -9.245 -6.800 -0.378 551 HD13 LEU 73 3HD1 LEU 73 -9.162 -5.373 0.654 552 HD21 LEU 73 1HD2 LEU 73 -9.397 -9.342 1.683 553 HD22 LEU 73 2HD2 LEU 73 -10.433 -8.646 0.437 554 HD23 LEU 73 3HD2 LEU 73 -10.977 -8.688 2.115 555 H ALA 74 H ALA 74 -5.559 -6.849 3.681 556 HA ALA 74 HA ALA 74 -3.698 -8.675 2.550 557 HB1 ALA 74 1HB ALA 74 -3.458 -6.141 4.120 558 HB2 ALA 74 2HB ALA 74 -2.031 -7.122 3.783 559 HB3 ALA 74 3HB ALA 74 -2.989 -6.474 2.452 560 H GLU 75 H GLU 75 -4.878 -8.085 5.794 561 HA GLU 75 HA GLU 75 -2.876 -9.691 7.080 562 HB2 GLU 75 1HB GLU 75 -3.897 -7.917 8.344 563 HB3 GLU 75 2HB GLU 75 -5.504 -8.563 8.047 564 HG2 GLU 75 1HG GLU 75 -3.500 -10.254 9.456 565 HG3 GLU 75 2HG GLU 75 -4.302 -8.952 10.332 566 H LYS 76 H LYS 76 -5.623 -10.380 5.273 567 HA LYS 76 HA LYS 76 -5.961 -13.006 6.560 568 HB2 LYS 76 1HB LYS 76 -7.960 -11.437 6.280 569 HB3 LYS 76 2HB LYS 76 -7.840 -11.763 4.556 570 HG2 LYS 76 1HG LYS 76 -7.964 -14.080 6.408 571 HG3 LYS 76 2HG LYS 76 -9.437 -13.149 6.129 572 HD2 LYS 76 1HD LYS 76 -7.764 -14.104 3.832 573 HD3 LYS 76 2HD LYS 76 -8.935 -15.175 4.605 574 HE2 LYS 76 1HE LYS 76 -10.519 -13.080 4.262 575 HE3 LYS 76 2HE LYS 76 -9.372 -12.730 2.969 576 HZ1 LYS 76 1HZ LYS 76 -11.457 -14.647 3.033 577 HZ2 LYS 76 2HZ LYS 76 -9.977 -15.414 2.747 578 HZ3 LYS 76 3HZ LYS 76 -10.493 -14.164 1.730 579 H GLU 77 H GLU 77 -6.275 -11.654 3.270 580 HA GLU 77 HA GLU 77 -5.775 -14.080 1.950 581 HB2 GLU 77 1HB GLU 77 -5.458 -11.226 1.015 582 HB3 GLU 77 2HB GLU 77 -5.313 -12.622 -0.044 583 HG2 GLU 77 1HG GLU 77 -7.771 -12.053 1.585 584 HG3 GLU 77 2HG GLU 77 -7.536 -11.447 -0.054 585 H LEU 78 H LEU 78 -3.605 -11.252 1.926 586 HA LEU 78 HA LEU 78 -1.338 -12.669 1.103 587 HB2 LEU 78 1HB LEU 78 -1.299 -10.173 2.781 588 HB3 LEU 78 2HB LEU 78 -0.083 -10.719 1.627 589 HG LEU 78 HG LEU 78 -2.863 -9.816 0.882 590 HD11 LEU 78 1HD1 LEU 78 -1.673 -7.809 -0.003 591 HD12 LEU 78 2HD1 LEU 78 -0.235 -8.346 0.865 592 HD13 LEU 78 3HD1 LEU 78 -1.698 -7.926 1.756 593 HD21 LEU 78 1HD2 LEU 78 -2.218 -11.131 -0.881 594 HD22 LEU 78 2HD2 LEU 78 -0.500 -10.819 -0.630 595 HD23 LEU 78 3HD2 LEU 78 -1.523 -9.584 -1.365 596 H GLY 79 H GLY 79 -2.324 -11.637 4.366 597 HA2 GLY 79 1HA GLY 79 -2.023 -13.013 6.287 598 HA3 GLY 79 2HA GLY 79 -0.713 -13.837 5.454 599 H LEU 80 H LEU 80 -1.248 -10.359 5.889 600 HA LEU 80 HA LEU 80 1.382 -10.220 7.196 601 HB2 LEU 80 1HB LEU 80 -0.183 -8.089 5.749 602 HB3 LEU 80 2HB LEU 80 1.382 -7.849 6.522 603 HG LEU 80 HG LEU 80 1.152 -9.930 4.403 604 HD11 LEU 80 1HD1 LEU 80 0.869 -8.538 2.678 605 HD12 LEU 80 2HD1 LEU 80 1.858 -7.274 3.408 606 HD13 LEU 80 3HD1 LEU 80 0.164 -7.444 3.869 607 HD21 LEU 80 1HD2 LEU 80 3.346 -7.934 4.758 608 HD22 LEU 80 2HD2 LEU 80 3.418 -9.587 4.146 609 HD23 LEU 80 3HD2 LEU 80 3.205 -9.295 5.872 610 H THR 81 H THR 81 1.491 -8.087 8.605 611 HA THR 81 HA THR 81 -0.808 -8.194 10.446 612 HB THR 81 HB THR 81 2.073 -7.542 11.094 613 HG1 THR 81 1HG THR 81 2.069 -9.564 12.086 614 HG21 THR 81 1HG2 THR 81 1.268 -6.584 12.939 615 HG22 THR 81 2HG2 THR 81 0.616 -8.153 13.413 616 HG23 THR 81 3HG2 THR 81 -0.382 -7.023 12.499 617 H LYS 82 H LYS 82 -2.053 -6.465 10.110 618 HA LYS 82 HA LYS 82 -1.227 -4.036 8.982 619 HB2 LYS 82 1HB LYS 82 -3.395 -3.161 9.701 620 HB3 LYS 82 2HB LYS 82 -3.565 -4.769 9.007 621 HG2 LYS 82 1HG LYS 82 -3.400 -5.557 11.482 622 HG3 LYS 82 2HG LYS 82 -3.853 -3.889 11.842 623 HD2 LYS 82 1HD LYS 82 -5.913 -4.093 10.738 624 HD3 LYS 82 2HD LYS 82 -5.410 -5.557 9.891 625 HE2 LYS 82 1HE LYS 82 -5.704 -5.410 12.882 626 HE3 LYS 82 2HE LYS 82 -7.024 -5.877 11.811 627 HZ1 LYS 82 1HZ LYS 82 -5.624 -7.721 12.816 628 HZ2 LYS 82 2HZ LYS 82 -4.409 -7.254 11.737 629 HZ3 LYS 82 3HZ LYS 82 -5.901 -7.794 11.148 630 H LEU 83 H LEU 83 0.523 -3.110 9.974 631 HA LEU 83 HA LEU 83 0.841 -2.819 12.760 632 HB2 LEU 83 1HB LEU 83 2.032 -0.990 10.696 633 HB3 LEU 83 2HB LEU 83 2.688 -1.432 12.271 634 HG LEU 83 HG LEU 83 2.408 -3.350 9.962 635 HD11 LEU 83 1HD1 LEU 83 4.274 -2.550 9.075 636 HD12 LEU 83 2HD1 LEU 83 5.112 -2.690 10.620 637 HD13 LEU 83 3HD1 LEU 83 4.221 -1.218 10.231 638 HD21 LEU 83 1HD2 LEU 83 3.436 -3.517 12.743 639 HD22 LEU 83 2HD2 LEU 83 4.296 -4.409 11.487 640 HD23 LEU 83 3HD2 LEU 83 2.583 -4.720 11.776 641 H LEU 84 H LEU 84 -0.421 -0.630 10.276 642 HA LEU 84 HA LEU 84 -1.069 1.374 12.283 643 HB2 LEU 84 1HB LEU 84 -1.557 1.363 9.308 644 HB3 LEU 84 2HB LEU 84 -1.804 2.731 10.390 645 HG LEU 84 HG LEU 84 0.862 1.447 9.798 646 HD11 LEU 84 1HD1 LEU 84 -0.567 3.798 8.626 647 HD12 LEU 84 2HD1 LEU 84 0.331 2.514 7.816 648 HD13 LEU 84 3HD1 LEU 84 1.196 3.768 8.704 649 HD21 LEU 84 1HD2 LEU 84 1.448 2.468 11.696 650 HD22 LEU 84 2HD2 LEU 84 -0.057 3.385 11.773 651 HD23 LEU 84 3HD2 LEU 84 1.286 3.972 10.791 652 H ASP 85 H ASP 85 -3.351 2.466 11.723 653 HA ASP 85 HA ASP 85 -5.356 0.311 11.624 654 HB2 ASP 85 1HB ASP 85 -5.015 2.505 13.631 655 HB3 ASP 85 2HB ASP 85 -6.637 1.926 13.259 656 HA PRO 86 HA PRO 86 -7.471 2.700 8.611 657 HB2 PRO 86 1HB PRO 86 -10.048 2.013 9.119 658 HB3 PRO 86 2HB PRO 86 -8.891 0.909 8.366 659 HG2 PRO 86 1HG PRO 86 -9.783 1.060 11.220 660 HG3 PRO 86 2HG PRO 86 -9.535 -0.368 10.199 661 HD2 PRO 86 1HD PRO 86 -7.714 0.449 12.028 662 HD3 PRO 86 2HD PRO 86 -7.252 -0.351 10.512 663 H GLU 87 H GLU 87 -7.560 3.448 11.832 664 HA GLU 87 HA GLU 87 -9.403 5.708 11.432 665 HB2 GLU 87 1HB GLU 87 -8.463 4.431 14.007 666 HB3 GLU 87 2HB GLU 87 -9.544 5.813 13.897 667 HG2 GLU 87 1HG GLU 87 -11.144 4.384 12.644 668 HG3 GLU 87 2HG GLU 87 -10.085 3.009 12.955 669 H ASP 88 H ASP 88 -6.373 4.874 13.115 670 HA ASP 88 HA ASP 88 -5.546 7.466 13.698 671 HB2 ASP 88 1HB ASP 88 -4.012 4.918 13.214 672 HB3 ASP 88 2HB ASP 88 -3.198 6.424 13.630 673 H VAL 89 H VAL 89 -4.746 5.456 10.872 674 HA VAL 89 HA VAL 89 -3.076 7.217 9.540 675 HB VAL 89 HB VAL 89 -5.062 5.272 8.358 676 HG11 VAL 89 1HG1 VAL 89 -3.082 7.086 7.119 677 HG12 VAL 89 2HG1 VAL 89 -3.151 5.437 6.494 678 HG13 VAL 89 3HG1 VAL 89 -4.597 6.448 6.478 679 HG21 VAL 89 1HG2 VAL 89 -3.102 3.807 8.134 680 HG22 VAL 89 2HG2 VAL 89 -2.114 5.016 8.953 681 HG23 VAL 89 3HG2 VAL 89 -3.427 4.219 9.818 682 H ASN 90 H ASN 90 -6.616 6.983 9.386 683 HA ASN 90 HA ASN 90 -6.966 9.027 7.467 684 HB2 ASN 90 1HB ASN 90 -8.654 7.252 8.179 685 HB3 ASN 90 2HB ASN 90 -8.979 8.266 9.581 686 HD21 ASN 90 1HD2 ASN 90 -11.100 8.623 8.964 687 HD22 ASN 90 2HD2 ASN 90 -11.517 9.651 7.640 688 H VAL 91 H VAL 91 -5.719 10.807 8.066 689 HA VAL 91 HA VAL 91 -7.004 12.585 9.951 690 HB VAL 91 HB VAL 91 -5.500 11.437 11.458 691 HG11 VAL 91 1HG1 VAL 91 -3.269 12.242 9.594 692 HG12 VAL 91 2HG1 VAL 91 -3.103 11.372 11.121 693 HG13 VAL 91 3HG1 VAL 91 -3.921 10.611 9.756 694 HG21 VAL 91 1HG2 VAL 91 -5.822 13.900 11.662 695 HG22 VAL 91 2HG2 VAL 91 -4.303 13.317 12.343 696 HG23 VAL 91 3HG2 VAL 91 -4.314 14.123 10.775 697 H ASP 92 H ASP 92 -6.042 14.777 9.892 698 HA ASP 92 HA ASP 92 -5.805 15.769 7.330 699 HB2 ASP 92 1HB ASP 92 -5.125 16.816 10.034 700 HB3 ASP 92 2HB ASP 92 -4.506 17.696 8.640 701 H GLN 93 H GLN 93 -3.141 15.223 9.638 702 HA GLN 93 HA GLN 93 -1.353 14.817 7.345 703 HB2 GLN 93 1HB GLN 93 0.433 15.991 8.764 704 HB3 GLN 93 2HB GLN 93 -0.764 17.000 7.964 705 HG2 GLN 93 1HG GLN 93 -1.916 17.409 9.969 706 HG3 GLN 93 2HG GLN 93 -1.077 16.106 10.809 707 HE21 GLN 93 1HE2 GLN 93 -1.289 19.328 10.606 708 HE22 GLN 93 2HE2 GLN 93 0.308 19.779 11.084 709 HA PRO 94 HA PRO 94 -1.010 11.279 10.260 710 HB2 PRO 94 1HB PRO 94 -0.669 9.429 8.301 711 HB3 PRO 94 2HB PRO 94 -2.261 9.982 8.834 712 HG2 PRO 94 1HG PRO 94 -0.663 10.829 6.449 713 HG3 PRO 94 2HG PRO 94 -2.397 10.480 6.567 714 HD2 PRO 94 1HD PRO 94 -1.416 13.003 6.564 715 HD3 PRO 94 2HD PRO 94 -2.882 12.550 7.457 716 H ASP 95 H ASP 95 0.845 10.381 11.020 717 HA ASP 95 HA ASP 95 3.328 11.433 10.330 718 HB2 ASP 95 1HB ASP 95 4.109 9.188 11.543 719 HB3 ASP 95 2HB ASP 95 3.403 10.535 12.433 720 H GLU 96 H GLU 96 3.911 11.286 8.211 721 HA GLU 96 HA GLU 96 3.563 9.173 6.473 722 HB2 GLU 96 1HB GLU 96 5.547 10.092 5.245 723 HB3 GLU 96 2HB GLU 96 4.312 11.282 5.633 724 HG2 GLU 96 1HG GLU 96 5.612 12.271 7.294 725 HG3 GLU 96 2HG GLU 96 6.690 10.880 7.407 726 H LYS 97 H LYS 97 5.935 9.573 8.997 727 HA LYS 97 HA LYS 97 7.742 7.562 8.162 728 HB2 LYS 97 1HB LYS 97 7.170 8.688 10.908 729 HB3 LYS 97 2HB LYS 97 8.511 7.612 10.540 730 HG2 LYS 97 1HG LYS 97 8.116 10.251 9.161 731 HG3 LYS 97 2HG LYS 97 9.052 10.069 10.645 732 HD2 LYS 97 1HD LYS 97 10.746 8.944 9.602 733 HD3 LYS 97 2HD LYS 97 9.678 8.254 8.377 734 HE2 LYS 97 1HE LYS 97 9.673 10.225 7.112 735 HE3 LYS 97 2HE LYS 97 10.281 11.193 8.455 736 HZ1 LYS 97 1HZ LYS 97 12.108 10.923 7.071 737 HZ2 LYS 97 2HZ LYS 97 11.755 9.305 6.729 738 HZ3 LYS 97 3HZ LYS 97 12.351 9.736 8.253 739 H SER 98 H SER 98 4.885 7.524 10.236 740 HA SER 98 HA SER 98 5.182 4.805 11.039 741 HB2 SER 98 1HB SER 98 2.925 6.792 11.176 742 HB3 SER 98 2HB SER 98 2.687 5.112 11.653 743 HG SER 98 HG SER 98 3.884 7.117 13.005 744 H ILE 99 H ILE 99 4.332 6.198 8.124 745 HA ILE 99 HA ILE 99 2.630 3.946 7.322 746 HB ILE 99 HB ILE 99 3.214 6.539 5.886 747 HG12 ILE 99 1HG1 ILE 99 0.595 5.621 7.070 748 HG13 ILE 99 2HG1 ILE 99 1.757 6.576 7.985 749 HG21 ILE 99 1HG2 ILE 99 1.081 4.581 5.120 750 HG22 ILE 99 2HG2 ILE 99 1.806 5.871 4.163 751 HG23 ILE 99 3HG2 ILE 99 2.728 4.409 4.513 752 HD11 ILE 99 1HD1 ILE 99 1.608 8.323 6.232 753 HD12 ILE 99 2HD1 ILE 99 0.328 7.381 5.466 754 HD13 ILE 99 3HD1 ILE 99 0.094 8.033 7.088 755 H ILE 100 H ILE 100 5.459 5.779 6.170 756 HA ILE 100 HA ILE 100 6.188 4.335 3.981 757 HB ILE 100 HB ILE 100 8.053 5.409 6.099 758 HG12 ILE 100 1HG1 ILE 100 7.541 6.749 3.482 759 HG13 ILE 100 2HG1 ILE 100 6.314 6.884 4.737 760 HG21 ILE 100 1HG2 ILE 100 8.975 3.689 4.446 761 HG22 ILE 100 2HG2 ILE 100 8.746 4.935 3.219 762 HG23 ILE 100 3HG2 ILE 100 9.825 5.229 4.582 763 HD11 ILE 100 1HD1 ILE 100 9.041 7.438 5.642 764 HD12 ILE 100 2HD1 ILE 100 8.414 8.562 4.436 765 HD13 ILE 100 3HD1 ILE 100 7.539 8.309 5.945 766 H THR 101 H THR 101 6.866 3.511 7.359 767 HA THR 101 HA THR 101 8.396 1.193 6.798 768 HB THR 101 HB THR 101 6.808 1.757 9.308 769 HG1 THR 101 1HG THR 101 9.550 2.336 9.032 770 HG21 THR 101 1HG2 THR 101 7.676 -0.145 10.075 771 HG22 THR 101 2HG2 THR 101 9.302 0.461 9.759 772 HG23 THR 101 3HG2 THR 101 8.434 -0.429 8.509 773 H TYR 102 H TYR 102 4.965 1.713 7.493 774 HA TYR 102 HA TYR 102 4.233 -1.010 7.597 775 HB2 TYR 102 1HB TYR 102 2.691 0.511 8.526 776 HB3 TYR 102 2HB TYR 102 2.692 1.525 7.088 777 HD1 TYR 102 1HD TYR 102 1.651 -1.815 8.345 778 HD2 TYR 102 2HD TYR 102 1.078 1.218 5.417 779 HE1 TYR 102 1HE TYR 102 -0.344 -2.995 7.522 780 HE2 TYR 102 2HE TYR 102 -0.919 0.048 4.586 781 HH TYR 102 HH TYR 102 -1.608 -3.041 5.153 782 H VAL 103 H VAL 103 3.740 1.371 4.983 783 HA VAL 103 HA VAL 103 2.769 -0.349 3.049 784 HB VAL 103 HB VAL 103 2.782 2.073 2.754 785 HG11 VAL 103 1HG1 VAL 103 4.768 2.892 3.595 786 HG12 VAL 103 2HG1 VAL 103 5.743 1.680 2.763 787 HG13 VAL 103 3HG1 VAL 103 5.039 3.020 1.858 788 HG21 VAL 103 1HG2 VAL 103 4.180 1.809 0.377 789 HG22 VAL 103 2HG2 VAL 103 3.660 0.167 0.754 790 HG23 VAL 103 3HG2 VAL 103 2.470 1.462 0.632 791 H ALA 104 H ALA 104 6.068 0.184 4.089 792 HA ALA 104 HA ALA 104 7.538 -0.857 2.015 793 HB1 ALA 104 1HB ALA 104 8.230 -1.617 4.821 794 HB2 ALA 104 2HB ALA 104 9.286 -1.112 3.503 795 HB3 ALA 104 3HB ALA 104 8.273 0.075 4.325 796 H THR 105 H THR 105 5.739 -2.603 4.500 797 HA THR 105 HA THR 105 6.656 -5.183 4.026 798 HB THR 105 HB THR 105 4.521 -5.978 4.951 799 HG1 THR 105 1HG THR 105 3.761 -3.326 4.382 800 HG21 THR 105 1HG2 THR 105 4.666 -3.962 6.883 801 HG22 THR 105 2HG2 THR 105 6.287 -4.066 6.195 802 HG23 THR 105 3HG2 THR 105 5.526 -5.501 6.883 803 H TYR 106 H TYR 106 4.060 -3.385 2.420 804 HA TYR 106 HA TYR 106 3.054 -5.434 0.822 805 HB2 TYR 106 1HB TYR 106 3.141 -2.450 0.548 806 HB3 TYR 106 2HB TYR 106 2.522 -3.431 -0.775 807 HD1 TYR 106 1HD TYR 106 2.141 -3.849 2.912 808 HD2 TYR 106 2HD TYR 106 0.224 -3.088 -0.810 809 HE1 TYR 106 1HE TYR 106 -0.050 -3.956 4.024 810 HE2 TYR 106 2HE TYR 106 -1.971 -3.192 0.293 811 HH TYR 106 HH TYR 106 -3.047 -3.316 2.246 812 H TYR 107 H TYR 107 5.824 -3.315 0.349 813 HA TYR 107 HA TYR 107 6.343 -4.211 -2.326 814 HB2 TYR 107 1HB TYR 107 7.135 -2.049 -1.889 815 HB3 TYR 107 2HB TYR 107 7.838 -2.516 -0.345 816 HD1 TYR 107 2HD TYR 107 8.194 -3.275 -3.988 817 HD2 TYR 107 1HD TYR 107 10.129 -2.792 -0.228 818 HE1 TYR 107 2HE TYR 107 10.377 -3.574 -5.080 819 HE2 TYR 107 1HE TYR 107 12.317 -3.090 -1.310 820 HH TYR 107 HH TYR 107 12.573 -3.701 -4.802 821 H HIS 108 H HIS 108 7.973 -4.711 0.803 822 HA HIS 108 HA HIS 108 9.948 -6.461 -0.022 823 HB2 HIS 108 1HB HIS 108 8.510 -6.029 2.560 824 HB3 HIS 108 2HB HIS 108 9.558 -7.437 2.409 825 HD1 HIS 108 1HD HIS 108 12.061 -6.625 1.299 826 HD2 HIS 108 2HD HIS 108 9.864 -3.947 3.595 827 HE1 HIS 108 1HE HIS 108 13.713 -4.898 2.083 828 HE2 HIS 108 2HE HIS 108 12.377 -3.338 3.541 829 H TYR 109 H TYR 109 6.775 -7.354 1.347 830 HA TYR 109 HA TYR 109 6.893 -10.071 1.135 831 HB2 TYR 109 1HB TYR 109 4.966 -9.121 2.133 832 HB3 TYR 109 2HB TYR 109 4.580 -8.190 0.690 833 HD1 TYR 109 2HD TYR 109 4.816 -11.682 1.957 834 HD2 TYR 109 1HD TYR 109 3.073 -9.033 -0.881 835 HE1 TYR 109 2HE TYR 109 3.317 -13.482 1.206 836 HE2 TYR 109 1HE TYR 109 1.568 -10.826 -1.640 837 HH TYR 109 HH TYR 109 0.769 -13.338 -0.079 838 H PHE 110 H PHE 110 5.223 -8.140 -1.351 839 HA PHE 110 HA PHE 110 5.053 -10.068 -3.296 840 HB2 PHE 110 1HB PHE 110 5.133 -7.095 -3.335 841 HB3 PHE 110 2HB PHE 110 5.330 -7.927 -4.873 842 HD1 PHE 110 2HD PHE 110 3.549 -9.708 -5.456 843 HD2 PHE 110 1HD PHE 110 3.015 -6.680 -2.511 844 HE1 PHE 110 2HE PHE 110 1.111 -9.980 -5.622 845 HE2 PHE 110 1HE PHE 110 0.575 -6.949 -2.673 846 HZ PHE 110 HZ PHE 110 -0.381 -8.600 -4.231 847 H SER 111 H SER 111 7.743 -7.854 -2.676 848 HA SER 111 HA SER 111 9.334 -8.426 -4.873 849 HB2 SER 111 1HB SER 111 9.724 -6.675 -3.060 850 HB3 SER 111 2HB SER 111 10.436 -7.970 -2.099 851 HG SER 111 HG SER 111 11.349 -7.689 -4.710 852 H LYS 112 H LYS 112 9.465 -9.967 -1.660 853 HA LYS 112 HA LYS 112 11.416 -11.841 -2.120 854 HB2 LYS 112 1HB LYS 112 8.878 -12.221 -0.520 855 HB3 LYS 112 2HB LYS 112 10.322 -13.216 -0.387 856 HG2 LYS 112 1HG LYS 112 11.448 -10.863 0.077 857 HG3 LYS 112 2HG LYS 112 9.808 -10.468 0.599 858 HD2 LYS 112 1HD LYS 112 10.649 -11.266 2.567 859 HD3 LYS 112 2HD LYS 112 10.052 -12.777 1.874 860 HE2 LYS 112 1HE LYS 112 12.193 -13.339 2.565 861 HE3 LYS 112 2HE LYS 112 12.421 -12.968 0.857 862 HZ1 LYS 112 1HZ LYS 112 12.837 -10.945 2.975 863 HZ2 LYS 112 2HZ LYS 112 13.366 -10.902 1.370 864 HZ3 LYS 112 3HZ LYS 112 14.076 -11.978 2.465 865 H MET 113 H MET 113 7.963 -12.090 -2.886 866 HA MET 113 HA MET 113 8.335 -14.696 -4.104 867 HB2 MET 113 1HB MET 113 5.944 -12.913 -3.688 868 HB3 MET 113 2HB MET 113 5.856 -14.367 -4.674 869 HG2 MET 113 1HG MET 113 5.082 -14.983 -2.548 870 HG3 MET 113 2HG MET 113 6.716 -15.630 -2.670 871 HE1 MET 113 1HE MET 113 5.738 -15.938 -0.305 872 HE2 MET 113 2HE MET 113 6.711 -15.126 0.921 873 HE3 MET 113 3HE MET 113 5.065 -14.579 0.596 874 H LYS 114 H LYS 114 7.040 -14.907 -6.306 875 HA LYS 114 HA LYS 114 7.495 -14.662 -8.559 876 HB2 LYS 114 1HB LYS 114 5.438 -13.340 -8.063 877 HB3 LYS 114 2HB LYS 114 6.442 -11.906 -7.900 878 HG2 LYS 114 1HG LYS 114 6.938 -11.842 -10.169 879 HG3 LYS 114 2HG LYS 114 6.487 -13.531 -10.413 880 HD2 LYS 114 1HD LYS 114 4.124 -12.685 -9.648 881 HD3 LYS 114 2HD LYS 114 4.752 -11.115 -10.156 882 HE2 LYS 114 1HE LYS 114 3.731 -11.906 -12.082 883 HE3 LYS 114 2HE LYS 114 5.418 -12.351 -12.327 884 HZ1 LYS 114 1HZ LYS 114 4.302 -14.275 -12.866 885 HZ2 LYS 114 2HZ LYS 114 3.127 -14.076 -11.665 886 HZ3 LYS 114 3HZ LYS 114 4.693 -14.560 -11.244 887 H ALA 115 H ALA 115 9.867 -14.278 -7.160 888 HA ALA 115 HA ALA 115 11.298 -11.980 -7.452 889 HB1 ALA 115 1HB ALA 115 12.966 -14.157 -8.285 890 HB2 ALA 115 2HB ALA 115 12.951 -13.285 -6.752 891 HB3 ALA 115 3HB ALA 115 11.899 -14.682 -6.983 892 H LEU 116 H LEU 116 12.348 -10.890 -9.054 893 HA LEU 116 HA LEU 116 11.398 -11.124 -11.695 894 HB2 LEU 116 1HB LEU 116 12.927 -9.375 -12.246 895 HB3 LEU 116 2HB LEU 116 12.240 -9.039 -10.658 896 HG LEU 116 HG LEU 116 14.880 -10.413 -10.806 897 HD11 LEU 116 1HD1 LEU 116 14.656 -7.425 -10.997 898 HD12 LEU 116 2HD1 LEU 116 14.873 -8.448 -12.416 899 HD13 LEU 116 3HD1 LEU 116 16.095 -8.433 -11.145 900 HD21 LEU 116 1HD2 LEU 116 13.223 -9.217 -8.826 901 HD22 LEU 116 2HD2 LEU 116 14.730 -8.305 -8.921 902 HD23 LEU 116 3HD2 LEU 116 14.768 -10.044 -8.623 903 H ALA 117 H ALA 117 12.254 -12.010 -13.522 904 HA ALA 117 HA ALA 117 14.916 -13.104 -13.578 905 HB1 ALA 117 1HB ALA 117 12.730 -15.111 -13.977 906 HB2 ALA 117 2HB ALA 117 14.445 -15.377 -13.663 907 HB3 ALA 117 3HB ALA 117 13.392 -14.800 -12.372 908 H VAL 118 H VAL 118 15.660 -13.409 -15.641 909 HA VAL 118 HA VAL 118 14.220 -12.169 -17.752 910 HB VAL 118 HB VAL 118 16.673 -12.126 -17.650 911 HG11 VAL 118 1HG1 VAL 118 16.590 -15.038 -18.420 912 HG12 VAL 118 2HG1 VAL 118 18.016 -14.051 -18.092 913 HG13 VAL 118 3HG1 VAL 118 16.906 -14.462 -16.784 914 HG21 VAL 118 1HG2 VAL 118 15.071 -12.633 -19.923 915 HG22 VAL 118 2HG2 VAL 118 16.602 -11.760 -19.839 916 HG23 VAL 118 3HG2 VAL 118 16.592 -13.496 -20.149 917 H GLU 119 H GLU 119 12.685 -13.017 -18.980 918 HA GLU 119 HA GLU 119 12.710 -15.923 -19.466 919 HB2 GLU 119 1HB GLU 119 10.237 -15.856 -19.490 920 HB3 GLU 119 2HB GLU 119 10.911 -15.425 -17.925 921 HG2 GLU 119 1HG GLU 119 9.176 -13.905 -18.283 922 HG3 GLU 119 2HG GLU 119 10.651 -13.007 -18.638 923 H GLY 120 H GLY 120 12.028 -16.631 -21.505 924 HA2 GLY 120 1HA GLY 120 12.813 -15.214 -23.712 925 HA3 GLY 120 2HA GLY 120 11.616 -16.499 -23.767 926 H LYS 121 H LYS 121 12.179 -13.278 -24.387 927 HA LYS 121 HA LYS 121 9.920 -11.884 -23.741 928 HB2 LYS 121 1HB LYS 121 11.781 -10.848 -24.902 929 HB3 LYS 121 2HB LYS 121 11.462 -11.806 -26.341 930 HG2 LYS 121 1HG LYS 121 10.547 -9.760 -26.882 931 HG3 LYS 121 2HG LYS 121 9.144 -10.662 -26.301 932 HD2 LYS 121 1HD LYS 121 9.303 -9.591 -24.139 933 HD3 LYS 121 2HD LYS 121 10.788 -8.769 -24.622 934 HE2 LYS 121 1HE LYS 121 9.445 -7.694 -26.470 935 HE3 LYS 121 2HE LYS 121 8.005 -8.343 -25.689 936 HZ1 LYS 121 1HZ LYS 121 9.810 -6.216 -24.787 937 HZ2 LYS 121 2HZ LYS 121 9.035 -7.158 -23.616 938 HZ3 LYS 121 3HZ LYS 121 8.119 -6.286 -24.741 939 H SER 122 H SER 122 7.829 -11.830 -24.347 940 HA SER 122 HA SER 122 6.876 -13.983 -26.057 941 HB2 SER 122 1HB SER 122 5.356 -11.969 -24.382 942 HB3 SER 122 2HB SER 122 4.634 -13.326 -25.248 943 HG SER 122 HG SER 122 6.056 -14.683 -23.951 944 H GLY 123 H GLY 123 4.747 -13.227 -27.326 945 HA2 GLY 123 1HA GLY 123 5.668 -11.699 -29.505 946 HA3 GLY 123 2HA GLY 123 4.002 -12.185 -29.230 947 HA PRO 124 HA PRO 124 5.002 -7.608 -27.911 948 HB2 PRO 124 1HB PRO 124 5.589 -6.296 -30.213 949 HB3 PRO 124 2HB PRO 124 6.828 -6.992 -29.162 950 HG2 PRO 124 1HG PRO 124 5.638 -8.097 -31.678 951 HG3 PRO 124 2HG PRO 124 7.334 -8.075 -31.157 952 HD2 PRO 124 1HD PRO 124 5.768 -10.272 -30.930 953 HD3 PRO 124 2HD PRO 124 7.064 -9.898 -29.775 954 H SER 125 H SER 125 3.101 -9.321 -30.031 955 HA SER 125 HA SER 125 1.443 -7.194 -31.009 956 HB2 SER 125 1HB SER 125 -0.030 -9.008 -31.800 957 HB3 SER 125 2HB SER 125 1.649 -9.297 -32.255 958 HG SER 125 HG SER 125 1.221 -11.177 -31.372 959 H SER 126 H SER 126 1.119 -9.672 -28.483 960 HA SER 126 HA SER 126 -1.436 -8.758 -27.607 961 HB2 SER 126 1HB SER 126 -1.280 -10.399 -25.915 962 HB3 SER 126 2HB SER 126 -0.407 -11.089 -27.283 963 HG SER 126 HG SER 126 1.199 -11.257 -25.949 964 H GLY 127 H GLY 127 -1.936 -7.158 -26.251 965 HA2 GLY 127 1HA GLY 127 -0.583 -6.357 -23.983 966 HA3 GLY 127 2HA GLY 127 0.085 -5.389 -25.289
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